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Isoform 2 of Cadherin-23 AlphaSync Fragmented

Canonical isoform description: Cadherins are calcium-dependent cell adhesion proteins. They preferentially interact with themselves in a homophilic manner in connecting cells. CDH23 is required for establishing and/or maintaining the proper organization of the stereocilia bundle of hair cells in the cochlea and the vestibule during late embryonic/early postnatal development. It is part of the functional network formed by USH1C, USH1G, CDH23 and MYO7A that mediates mechanotransduction in cochlear hair cells. Required for normal hearing.

AlphaFold DB , UniProt , Accession Q99PF4-2 (canonical: Q99PF4), Species MOUSE (Mus musculus, Mouse), Gene Cdh23, Length 3,319 aa.

>CAD23_MOUSE|Q99PF4-2|Cdh23
MRYSLVTCYAVLWLLMLVPGSWGQVNRLPFFTNHFFDTYLLISEDTPVGSSVTQLLARDMDNDPLVFGVSGEEASRFFAVEPDTGVVWLRQPLDRETKSEFTVEFSVSDHQGVITRKVNIQVGDVNDNAPTFHNQPYSVRIPENTPVGTPIFIVNATDPDLGAGGSVLYSFQPPSPFFAIDSARGIVTVIQELDYEVTQAYQLTVNATDQDKTRPLSTLANLAIIITDMQDMDPIFINLPYSTNIYEHSPPGTTVRVITAVDQDKGRPRGIGYTIVSGNTNSIFALDYISGALTLNGLLDRENPLYSHGFILTVKGTELNDDRTPSDATVTTTFNILVIDINDNAPEFNSSEYSVAITELAQVGFALPLFIQVVDKDEDLGLNSMFEVYLVGNNSHHFIISPTSVQGKADIRIRVAIPLDYETVDRYDFDLFANESVPDHVGYAKVKITLINENDNRPIFSQPLYNVSLYENITVGTSVLTVLATDNDVGTFGEVNYFFSDDPDRFSLDKDTGLIMLIARLDYELIQRFTLTVIARDGGGEETTGRVRINVLDVNDNVPTFQKDAYVGALRENEPSVTQLVRLRATDEDSPPNNLITYSIVNASAFGSYFDISIYEGYGVISVSRPLDYEQIPNGLIYLTVMAKDAGNPPLYSTVPVTIEVFDENDNPPTFSKPAYFVSVLENIMAGATVLFLNATDLDRSREYGQESIIYSLEGSSQFRINARSGEITTTSLLDRETKSEYILIVRAVDGGVGHNQKTGIATVNVTLLDINDNHPTWKDAPYYINLVEMTPPDSDVTTVVAVDPDLGENGTLVYSIHPPNKFYSLNSTTGKIRTTHVMLDRENPDPVEAELMRKIIVSVTDCGRPPLKATSSATVFVNLLDLNDNDPTFRNLPFVAEILEGTPAGVSVYQVVAIDLDEGLNGLVSYRMQVGMPRMDFVINSTSGVVTTTAELDRERIAEYQLRVVASDAGTPTKSSTSTLTVRVLDVNDETPTFFPAVYNVSVSEDVPREFRVVWLNCTDNDVGLNAELSYFITAGNVDGKFSVGYRDAVVRTVVGLDRETTAAYTLVLEAIDNGPVGKRRTGTATVFVTVLDVNDNRPIFLQSSYEASVPEDIPEGHSIVQLKATDADEGEFGRVWYRILHGNHGNNFRIHVGSGLLMRGPRPLDRERNSSHVLMVEAYNHDLGPMRSSVRVIVYVEDVNDEAPVFTQQQYNRLGLRETAGIGTSVIVVRATDKDTGDGGLVNYRILSGAEGKFEIDESTGLIVTVDYLDYETKTSYLMNVSATDGAPPFNQGFCSVYVTLLNELDEAVQFSNASYEAVIMENLALGTEIVRVQAYSIDNLNQITYRFDAYTSAQAKALFKIDAITGVITVKGLVDREKGDFYTLTVVADDGGPKVDSTVKVYITVLDENDNSPRFDFTSDSAISVPEDCPVGQRVATVKARDPDAGSNGQVVFSLASGNIAGAFEIITSNDSIGEVFVAKPLDREELDHYILKVVASDRGTPPRKKDHILQVTILDVNDNPPVIESPFGYNVSVNENVGGGTSVVQVRATDRDIGINSVLSYYITEGNEDMTFRMDRISGEIATRPAPPDRERQNFYHLVVTVEDEGTPTLSATTHVYVTIVDENDNAPVFQQPHYEVVLDEGPDTINTSLITVQALDLDEGPNGTVTYAIVAGNIINTFRINKHTGVITAAKELDYEISHGRYTLIVTATDQCPILSHRLTSTTTVLVNVNDINDNVPTFPRDYEGPFDVTEGQPGPRVWTFLAHDRDSGPNGQVEYSVVDGDPLGEFVISPVEGVLRVRKDVELDRETIAFYNLTICARDRGVPPLSSTMLVGIRVLDINDNDPVLLNLPMNVTISENSPVSSFVAHVLASDADSGCNALLTFNITAGNRERAFFINATTGIVTVNRPLDRERIPEYRLTVSVKDNPENPRIARKDFDLLLVSLADENDNHPLFTEGTYQAEVMENSPAGTPLTVLNGPILALDADEDVYAVVTYQLLGTHSDLFVIDNSTGVVTVRSGIIIDREAFSPPFLELLLLAEDIGQLNGTAHLFITILDDNDNWPTFSPPTYTVHLLENCPPGFSVLQVTATDEDSGLNGELVYRIEAGAQDRFLIHPVTGVIRVGNATIDREEQESYRLTVVATDRGTVPLSGTAIVTILIDDINDSRPEFLNPIQTVSVLESAEPGTIIANVTAIDLDLNPKLEYHIISIVAKDDTDRLVPDQEDAFAVNINTGSVMVKSPLNRELVATYEVTLSVIDNASDLPEHSVSVPNAKLTVNILDVNDNTPQFKPFGITYYTERVLEGATPGTTLIAVAAVDPDKGLNGLITYTLLDLTPPGYVQLEDSSAGKVIANRTVDYEEVHWLNFTVRASDNGSPPRAAEIPVYLEIVDINDNNPIFDQPSYQEAVFEDIAVGTVILRVTATDADSGNFALIEYSLVDGEGKFAINPNTGDISVLSSLDREKKDHYILTALAKDNPGDVASNRRENSVQVVIRVLDVNDCRPQFSKPQFSTSVYENEPAGTSVITMLATDQDEGSNSQLTYSLEGPGMEAFSVDMDSGLVTTQRPLQSYERFNLTVVATDGGEPPLWGTTMLLVEVIDVNDNRPVFVRPPNGTILHIKEEIPLRSNVYEVYATDNDEGLNGAVRYSFLKTTGNRDWEYFTIDPISGLIQTAQRLDREKQAVYSLILVASDLGQPVPYETMQPLQVALEDIDDNEPLFVRPPKGSPQYQLLTVPEHSPRGTLVGNVTGAVDADEGPNAIVYYFIAAGDEDKNFHLQPDGRLLVLRDLDRETEATFSFIVKASSNRSWTPPRGPSPALDLLTDLTLQEVRVVLEDINDQPPRFTKAEYTAGVATDAKVGSELIQVLALDADIGNNSLVFYGILAIHYFRALANDSEDVGQVFTMGSVDGILRTFDLFMAYSPGYFVVDIVARDLAGHNDTAIIGIYILRDDQRVKIVINEIPDRVRGFEEEFIRLLSNITGAIVNTDDVQFHVDMKGRVNFAQTELLIHVVNRDTNRILDVDRVIQMIDENKEQLRNLFRNYNVLDVQPAISVQLPDDMSALQMAIIVLAILLFLAAMLFVLMNWYYRTIHKRKLKAIVAGSAGNRGFIDIMDMPNTNKYSFDGSNPVWLDPFCRNLELAAQAEHEDDLPENLSEIADLWNSPTRTHGTFGREPAAVKPDDDRYLRAAIQEYDNIAKLGQIIREGPIKLIHTDLEEEPGDHSPGQGSLRFRHKPPMELKGQDGIHMVHGSTGTLLATDLNSLPEDDQKGLDRSLETLTASEATAFERNARTESAKSTPLHKLRDVIMESPLEITEL

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

 

Download 11 Fragment Structures   AlphaSync Parameters   PDBs   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.8Very low28.3Very low235 Ų235152.3 Ų152.3100%1.15880%0.802SS**  0157.30-87.6-167.7-179.300109
2R24.9Very low28.4Very low209 Ų209152.6 Ų152.679%0.78980%0.803SS**  trans68.8128159.4-84.5-178.6170.3-173.9-1.3119.2
3Y25.6Very low28.5Very low187 Ų187159.8 Ų159.873%0.73381%0.813SS**  trans56.1122.1161.9-54.2-69000118.1
4S27.2Very low28.4Very low87 Ų87159.9 Ų159.961%0.60882%0.815SS**  cis78.6138.515.198.40000117.6
5L32.6Very low28.6Very low151 Ų151158.9 Ų158.979%0.79181%0.812SS**  trans72.8142.4-179.5-57.8149.7000112.1
6V26.5Very low28.6Very low126 Ų126159.6 Ų159.676%0.76481%0.813SS**  cis-130.7125.824.5169.70000113.2
7T28Very low28.5Very low104 Ų104159.8 Ų159.864%0.63882%0.815SS**  trans15.8136.5156.564.80000122.5
8C27.3Very low28.6Very low128 Ų128157.7 Ų157.787%0.86581%0.811SS**  trans-114.2155.9135.4-162.10000109.4
9Y26.6Very low29.3Very low212 Ų212156.3 Ų156.383%0.83181%0.813SS**  trans-90.1132.6-179.3-90.7-96.7000111.9
10A35Very low29.4Very low97 Ų97152.3 Ų152.380%0.80281%0.812SS**  trans-126.7143.4163.900000109.9
11V29.9Very low29.5Very low139 Ų139150.4 Ų150.484%0.84281%0.811SS**  trans-101.7159.2-178.1172.20000110.6
12L29.5Very low29.7Very low156 Ų156151.5 Ų151.582%0.81780%0.802SS**  trans-61.1148.2-172.1-8569.2000115.1
13W30Very low30.3Very low247 Ų247145.2 Ų145.294%0.93680%0.803SS**  trans1.7117.9132.6-85.445000117.5
14L26.9Very low31.5Very low160 Ų160145.8 Ų145.884%0.83881%0.812SS**  trans-157130.8135-141.180000112.7
15L31.5Very low32.9Very low146 Ų146147.7 Ų147.776%0.76482%0.82SS**  trans44107.8153.9-78.4160.6000122.4
16M28.8Very low34.9Very low169 Ų169142.6 Ų142.683%0.83379%0.793SS**  49.4148.2120.9-80.4-73.8-16500123
17L27.1Very low37.3Very low163 Ų163142.4 Ų142.485%0.85378%0.779SS**  trans87.8130176.9-56.3172.8000114.1
18V30.2Very low39.8Very low123 Ų123141.4 Ų141.475%0.74577%0.769SS**  cis-142.4143.6-15.2154.50000107.4
19P41.7Very low42.8Very low130 Ų130135.3 Ų135.384%0.84473%0.728SS**  trans-89.1151-174.734.7-36.2000115.3
20G30.9Very low45.7Very low76 Ų76129.7 Ų129.778%0.78471%0.708SS**  trans-153136.4165.500000110.3
21S30.5Very low48.3Very low114 Ų114125.7 Ų125.780%0.79767%0.672SS**  trans-116.7103.7-160.856.10000113.8
22W33.2Very low51.2Low258 Ų258121.6 Ų121.698%0.97765%0.648SS**  trans-134.8137.1170.7-69.868.2000108.5
23G37.8Very low54Low77 Ų77114.9 Ų114.979%0.79461%0.613SS**  trans-84152.2-165.400000115.3
24Q49.6Very low56.6Low198 Ų198111 Ų11193%0.92561%0.605SS**  trans-77.2158168-77.5175.3-96.700111.6
25V58.1Low59.3Low128 Ų128104.6 Ų104.678%0.77657%0.57SS**  trans-126.8134.2-179.8179.70000108
26N73.6Confident61.8Low44 Ų4498.1 Ų98.124%0.23554%0.536CS..  trans-64.3146.6-179.4-17067.9000112.6D109 Q111N26-D109 PolarHBondContact ND2-OD2 2.81Å; N26-Q111 VanDerWaalsContact OD1-CD 3.25Å; N26-Q111 PolarHBondContact OD1-NE2 2.83Å; N26-Q111 PolarHBondContact OD1-OE1 2.77Å
27R77.3Confident64.3Low121 Ų12194.8 Ų94.846%0.45752%0.521SS..  trans-117.2101-177.6-61.4179.8-69.2158.7-0.4111.3M60 D61R27-M60 PolarHBondContact NH2-O 3.03Å; R27-D61 WeakPolarHBondContact CB-OD2 3.23Å; R27-D61 IonicContact CZ-OD1 2.64Å; R27-D61 PolarHBondContact N-OD2 2.92Å; R27-D61 IonicContact NE-OD1 3.17Å; R27-D61 PolarHBondContact NE-OD1 3.47Å; R27-D61 IonicContact NE-OD2 2.89Å; R27-D61 IonicContact NH2-OD1 2.57Å; R27-D61 PolarHBondContact NH2-OD1 3.29Å
28L81.1Confident66.9Low84 Ų8490.4 Ų90.444%0.4450%0.502SS..  trans-51.6146.2-172.1-62.5169000115.4I114L28-I114 HydrophobicContact CB-CD1 3.55Å; L28-I114 HydrophobicContact CB-CG1 3.98Å; L28-I114 HydrophobicContact CD1-CD1 4Å; L28-I114 HydrophobicContact CD1-CG1 4.04Å; L28-I114 HydrophobicContact CG-CD1 4.41Å
29P89Confident69.5Low0 Ų089 Ų890%048%0.483CS..  trans-70.6146.6178.728.4-36.4000113.4R58 D59 L65 V107 D109 I114P29-R58 CarbonylContact C-O 3.59Å; P29-R58 WeakPolarHBondContact CA-O 3.26Å; P29-D59 HydrophobicContact CB-CB 4.19Å; P29-L65 HydrophobicContact CB-CD2 3.64Å; P29-L65 HydrophobicContact CG-CD2 4.15Å; P29-V107 HydrophobicContact CB-CG1 4.2Å; P29-V107 HydrophobicContact CB-CG2 4.35Å; P29-V107 HydrophobicContact CG-CG1 4.16Å; P29-V107 HydrophobicContact CG-CG2 4.39Å; P29-D109 VanDerWaalsContact CD-OD2 3.32Å; P29-D109 WeakPolarHBondContact CD-OD2 3.43Å; P29-D109 HydrophobicContact CG-CB 4.18Å; P29-I114 WeakPolarHBondContact O-CB 3.48Å; P29-I114 WeakPolarHBondContact O-CD1 3.46Å
30F87.3Confident71.6Confident93 Ų9383.6 Ų83.641%0.40845%0.448SS..EExtended strand (participates in β ladder)trans-125.3141.5179.467.9-83000112.7T32 A57 R58 M60F30-T32 HydrophobicContact CD2-CG2 4.17Å; F30-T32 HydrophobicContact CE2-CG2 3.81Å; F30-A57 CarbonylContact O-C 3.51Å; F30-A57 WeakPolarHBondContact O-CA 3.32Å; F30-A57 VanDerWaalsContact O-CB 3.26Å; F30-A57 WeakPolarHBondContact O-CB 3.2Å; F30-R58 WeakPolarHBondContact CD1-O 3.32Å; F30-R58 HydrophobicContact CE1-CB 3.94Å; F30-R58 HydrophobicContact CZ-CB 3.95Å; F30-R58 PolarHBondContact N-O 3.18Å; F30-R58 PolarHBondContact O-N 3.41Å; F30-M60 HydrophobicContact CE1-CG 4.29Å; F30-M60 HydrophobicContact CE1-SD 4.44Å
31F90.7Very high74.2Confident13 Ų1385 Ų856%0.05744%0.437CS..EExtended strand (participates in β ladder)trans-69.7147.8174.7-72.5-74.5000112.6F36 L55 L56 A57 F67 F105 S106 V107 R116F31-F36 HydrophobicContact CB-CD2 3.88Å; F31-F36 HydrophobicContact CB-CE2 3.63Å; F31-F36 HydrophobicContact CB-CZ 4.44Å; F31-F36 AromaticContact CD1-CE2 3.51Å; F31-F36 HydrophobicContact CD1-CE2 3.51Å; F31-F36 AromaticContact CD1-CZ 3.81Å; F31-F36 HydrophobicContact CD1-CZ 3.81Å; F31-F36 HydrophobicContact CD2-CE2 4.11Å; F31-F36 HydrophobicContact CD2-CZ 4.08Å; F31-F36 HydrophobicContact CE1-CE2 4.1Å; F31-F36 AromaticContact CE1-CZ 3.94Å; F31-F36 HydrophobicContact CE1-CZ 3.94Å; F31-F36 HydrophobicContact CE2-CZ 4.19Å; F31-F36 HydrophobicContact CG-CD2 4.2Å; F31-F36 AromaticContact CG-CE2 3.5Å; F31-F36 HydrophobicContact CG-CE2 3.5Å; F31-F36 VanDerWaalsContact CG-CE2 3.5Å; F31-F36 AromaticContact CG-CZ 3.87Å; F31-F36 HydrophobicContact CG-CZ 3.87Å; F31-F36 HydrophobicContact CZ-CZ 4.1Å; F31-L55 HydrophobicContact CE1-CB 4.13Å; F31-L55 HydrophobicContact CE1-CD1 4.13Å; F31-L55 HydrophobicContact CE1-CD2 4.42Å; F31-L55 HydrophobicContact CE1-CG 4.47Å; F31-L56 CarbonylContact C-O 3.58Å; F31-L56 WeakPolarHBondContact CA-O 2.9Å; F31-A57 HydrophobicContact CD1-CB 4.18Å; F31-F67 HydrophobicContact CE1-CD1 4.02Å; F31-F67 HydrophobicContact CE1-CE1 4.09Å; F31-F105 HydrophobicContact CZ-CB 4.09Å; F31-S106 VanDerWaalsContact CZ-C 3.49Å; F31-V107 HydrophobicContact CD1-CG1 4.41Å; F31-V107 HydrophobicContact CD2-CG1 4.05Å; F31-V107 HydrophobicContact CE1-CB 4.01Å; F31-V107 HydrophobicContact CE1-CG1 4.11Å; F31-V107 HydrophobicContact CE2-CB 4.25Å; F31-V107 HydrophobicContact CE2-CG1 3.75Å; F31-V107 HydrophobicContact CG-CG1 4.39Å; F31-V107 HydrophobicContact CZ-CB 3.79Å; F31-V107 HydrophobicContact CZ-CG1 3.8Å; F31-R116 HydrophobicContact CD2-CB 3.96Å; F31-R116 HydrophobicContact CD2-CG 3.9Å; F31-R116 HydrophobicContact CE2-CB 4.29Å
32T89.6Confident76.9Confident54 Ų5480 Ų8033%0.33140%0.401SS..  trans-121.35.6179.860.80000114.1F30 L56 R58F30-T32 HydrophobicContact CD2-CG2 4.17Å; F30-T32 HydrophobicContact CE2-CG2 3.81Å; T32-L56 PolarHBondContact N-O 2.84Å; T32-L56 WeakPolarHBondContact OG1-CB 3.17Å; T32-L56 PolarHBondContact OG1-O 3.07Å; T32-R58 HydrophobicContact CG2-CG 4.21Å
33N89.3Confident79.4Confident15 Ų1569.8 Ų69.88%0.0837%0.369CS..  trans-77.4132.9175.5-56.391.9000112F35 F36 Q54 L55 L56N33-F35 VanDerWaalsContact C-N 3.33Å; N33-F35 HydrophobicContact CB-CD1 3.89Å; N33-F35 HydrophobicContact CB-CD2 3.98Å; N33-F35 HydrophobicContact CB-CE1 3.52Å; N33-F35 HydrophobicContact CB-CE2 3.61Å; N33-F35 HydrophobicContact CB-CG 4.11Å; N33-F35 HydrophobicContact CB-CZ 3.37Å; N33-F35 WeakPolarHBondContact ND2-CE1 3.07Å; N33-F35 WeakPolarHBondContact ND2-CZ 3.31Å; N33-F35 PolarHBondContact O-N 3.29Å; N33-F36 HydrophobicContact CB-CD2 3.83Å; N33-F36 HydrophobicContact CB-CE2 4.02Å; N33-Q54 PolarHBondContact ND2-O 3.35Å; N33-L55 WeakPolarHBondContact OD1-CA 3.4Å; N33-L56 PolarHBondContact OD1-N 3.29Å; N33-L56 PolarHBondContact OD1-O 2.76Å
34H84.3Confident81.8Confident165 Ų16566.9 Ų66.976%0.76434%0.335SS*.G310 helixtrans-66.8-28.5178.1-64-69.2000114.1F36 D37 T38H34-F36 PolarHBondContact O-N 2.96Å; H34-F36 VanDerWaalsContact O-N 3.11Å; H34-D37 PolarHBondContact O-N 3Å; H34-T38 PolarHBondContact O-N 3.23Å
35F84Confident83.5Confident25 Ų2562.4 Ų62.411%0.1132%0.317CS..G310 helixtrans-62.9-18-179.252.7-115.1000114.4N33 D37 T38 Y39 L40 T53 L55 V118N33-F35 VanDerWaalsContact C-N 3.33Å; N33-F35 HydrophobicContact CB-CD1 3.89Å; N33-F35 HydrophobicContact CB-CD2 3.98Å; N33-F35 HydrophobicContact CB-CE1 3.52Å; N33-F35 HydrophobicContact CB-CE2 3.61Å; N33-F35 HydrophobicContact CB-CG 4.11Å; N33-F35 HydrophobicContact CB-CZ 3.37Å; N33-F35 WeakPolarHBondContact ND2-CE1 3.07Å; N33-F35 WeakPolarHBondContact ND2-CZ 3.31Å; N33-F35 PolarHBondContact O-N 3.29Å; F35-D37 PolarHBondContact O-N 2.74Å; F35-T38 CarbonylContact O-C 3.46Å; F35-T38 PolarHBondContact O-N 2.81Å; F35-Y39 VanDerWaalsContact CB-O 3.23Å; F35-Y39 WeakPolarHBondContact CB-O 3.04Å; F35-Y39 PolarHBondContact O-N 2.93Å; F35-L40 HydrophobicContact CB-CB 4.38Å; F35-L40 HydrophobicContact CD1-CD1 4.38Å; F35-T53 HydrophobicContact CE1-CG2 3.98Å; F35-T53 VanDerWaalsContact CE1-OG1 3.23Å; F35-T53 WeakPolarHBondContact CE1-OG1 3.18Å; F35-T53 HydrophobicContact CZ-CG2 3.81Å; F35-L55 HydrophobicContact CE2-CD2 4.17Å; F35-L55 HydrophobicContact CZ-CD2 4.08Å; F35-V118 HydrophobicContact CB-CG2 4.45Å; F35-V118 HydrophobicContact CD2-CB 4.42Å; F35-V118 HydrophobicContact CD2-CG2 3.99Å; F35-V118 WeakPolarHBondContact O-CG2 3.26Å
36F84Confident84.8Confident11 Ų1157.7 Ų57.75%0.04829%0.289CS..G310 helixtrans-72.4-11.9171.8-70.6-69.9000113.9F31 N33 H34 L55 F105 R116 V118F31-F36 HydrophobicContact CB-CD2 3.88Å; F31-F36 HydrophobicContact CB-CE2 3.63Å; F31-F36 HydrophobicContact CB-CZ 4.44Å; F31-F36 AromaticContact CD1-CE2 3.51Å; F31-F36 HydrophobicContact CD1-CE2 3.51Å; F31-F36 AromaticContact CD1-CZ 3.81Å; F31-F36 HydrophobicContact CD1-CZ 3.81Å; F31-F36 HydrophobicContact CD2-CE2 4.11Å; F31-F36 HydrophobicContact CD2-CZ 4.08Å; F31-F36 HydrophobicContact CE1-CE2 4.1Å; F31-F36 AromaticContact CE1-CZ 3.94Å; F31-F36 HydrophobicContact CE1-CZ 3.94Å; F31-F36 HydrophobicContact CE2-CZ 4.19Å; F31-F36 HydrophobicContact CG-CD2 4.2Å; F31-F36 AromaticContact CG-CE2 3.5Å; F31-F36 HydrophobicContact CG-CE2 3.5Å; F31-F36 VanDerWaalsContact CG-CE2 3.5Å; F31-F36 AromaticContact CG-CZ 3.87Å; F31-F36 HydrophobicContact CG-CZ 3.87Å; F31-F36 HydrophobicContact CZ-CZ 4.1Å; N33-F36 HydrophobicContact CB-CD2 3.83Å; N33-F36 HydrophobicContact CB-CE2 4.02Å; H34-F36 PolarHBondContact O-N 2.96Å; H34-F36 VanDerWaalsContact O-N 3.11Å; F36-L55 HydrophobicContact CE2-CD2 4.26Å; F36-L55 HydrophobicContact CZ-CD2 3.88Å; F36-F105 HydrophobicContact CE1-CB 4.02Å; F36-F105 AromaticContact CE1-CD2 3.86Å; F36-F105 HydrophobicContact CE1-CD2 3.86Å; F36-F105 HydrophobicContact CE1-CG 4.44Å; F36-F105 HydrophobicContact CZ-CB 3.92Å; F36-F105 AromaticContact CZ-CD2 3.99Å; F36-F105 HydrophobicContact CZ-CD2 3.99Å; F36-F105 HydrophobicContact CZ-CG 4.41Å; F36-R116 HydrophobicContact CD1-CB 3.48Å; F36-R116 VanDerWaalsContact CD1-CB 3.48Å; F36-R116 HydrophobicContact CE1-CB 3.61Å; F36-R116 HydrophobicContact CG-CB 4.01Å; F36-R116 HydrophobicContact CZ-CB 4.25Å; F36-R116 PolarHBondContact O-NH2 2.87Å; F36-V118 HydrophobicContact CD1-CB 3.87Å; F36-V118 HydrophobicContact CD1-CG1 4.41Å; F36-V118 HydrophobicContact CE1-CB 4.27Å; F36-V118 HydrophobicContact CE1-CG1 4.32Å
37D81.7Confident85.1Confident98 Ų9860 Ų6052%0.52431%0.306SS..THydrogen-bonded Turntrans-109.7-5.8176.4-64.5-72.8000112.1H34 F35 R116H34-D37 PolarHBondContact O-N 3Å; F35-D37 PolarHBondContact O-N 2.74Å; D37-R116 IonicContact OD1-CZ 2.71Å; D37-R116 IonicContact OD1-NH1 3.38Å; D37-R116 IonicContact OD1-NH2 3.64Å; D37-R116 PolarHBondContact OD1-NH2 3Å; D37-R116 IonicContact OD2-CZ 3.85Å; D37-R116 IonicContact OD2-NH1 2.75Å; D37-R116 PolarHBondContact OD2-NH1 2.95Å; D37-R116 IonicContact OD2-NH2 3.79Å; D37-R116 PolarHBondContact OD2-NH2 3.32Å
38T81.8Confident85.5Confident72 Ų7258.1 Ų58.144%0.44231%0.308SS..SBendtrans-128.6-109.7170.457.30000110.2H34 F35H34-T38 PolarHBondContact O-N 3.23Å; F35-T38 CarbonylContact O-C 3.46Å; F35-T38 PolarHBondContact O-N 2.81Å
39Y83.7Confident85.7Confident92 Ų9256.4 Ų56.436%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-153.1172.7178.262-92.4000110.6F35 L41 N119 Q121F35-Y39 VanDerWaalsContact CB-O 3.23Å; F35-Y39 WeakPolarHBondContact CB-O 3.04Å; F35-Y39 PolarHBondContact O-N 2.93Å; Y39-L41 HydrophobicContact CD2-CB 4.46Å; Y39-L41 HydrophobicContact CE2-CB 4.15Å; Y39-N119 CarbonylContact C-O 3.54Å; Y39-N119 WeakPolarHBondContact CA-O 3.24Å; Y39-N119 VanDerWaalsContact CB-O 3.27Å; Y39-N119 WeakPolarHBondContact CB-O 2.95Å; Y39-Q121 HydrophobicContact CD2-CB 4.45Å; Y39-Q121 HydrophobicContact CD2-CG 4.41Å
40L85.9Confident85.6Confident18 Ų1858.1 Ų58.19%0.09432%0.323CS..EExtended strand (participates in β ladder)trans-120.5115.6171.9178.165.7000108.8F35 I42 V52 T53 V118 N119 I120 Q121F35-L40 HydrophobicContact CB-CB 4.38Å; F35-L40 HydrophobicContact CD1-CD1 4.38Å; L40-I42 HydrophobicContact CG-CG1 4.36Å; L40-V52 HydrophobicContact CD2-CG1 3.92Å; L40-V52 HydrophobicContact CG-CG1 4.44Å; L40-T53 HydrophobicContact CD1-CG2 4.43Å; L40-T53 HydrophobicContact CD2-CG2 3.79Å; L40-V118 HydrophobicContact CB-CG2 4.06Å; L40-N119 PolarHBondContact N-O 3.15Å; L40-I120 HydrophobicContact CB-CG1 4.3Å; L40-I120 HydrophobicContact CD2-CD1 4.24Å; L40-I120 HydrophobicContact CD2-CG1 4.36Å; L40-I120 CarbonylContact O-C 3.6Å; L40-I120 VanDerWaalsContact O-CA 3.25Å; L40-I120 WeakPolarHBondContact O-CA 3.4Å; L40-I120 WeakPolarHBondContact O-CG2 3.4Å; L40-Q121 PolarHBondContact O-N 2.91Å
41L85.7Confident85.6Confident106 Ų10657.2 Ų57.256%0.55533%0.328SS*.EExtended strand (participates in β ladder)trans-83.5136.9175.2-172.163.3000110.3Y39 Q121Y39-L41 HydrophobicContact CD2-CB 4.46Å; Y39-L41 HydrophobicContact CE2-CB 4.15Å; L41-Q121 WeakPolarHBondContact CA-O 3.04Å; L41-Q121 HydrophobicContact CD1-CB 4.08Å
42I88.1Confident85.5Confident7 Ų758.1 Ų58.14%0.03633%0.334CS..EExtended strand (participates in β ladder)trans-136.7119.7172.7-43.1177.1000108.3L40 T46 V52 F78 L93 I120 Q121 V122 G123L40-I42 HydrophobicContact CG-CG1 4.36Å; I42-T46 HydrophobicContact CG2-CG2 3.99Å; I42-T46 WeakPolarHBondContact CG2-OG1 3.15Å; I42-V52 HydrophobicContact CD1-CG1 3.4Å; I42-V52 HydrophobicContact CD1-CG2 4.33Å; I42-V52 HydrophobicContact CG1-CG1 3.65Å; I42-V52 HydrophobicContact CG2-CG1 4.42Å; I42-F78 HydrophobicContact CD1-CE1 3.63Å; I42-F78 HydrophobicContact CD1-CZ 3.92Å; I42-L93 HydrophobicContact CB-CD1 3.73Å; I42-L93 HydrophobicContact CD1-CD1 4.09Å; I42-L93 HydrophobicContact CG2-CD1 3.61Å; I42-I120 HydrophobicContact CD1-CG2 3.32Å; I42-I120 HydrophobicContact CG1-CG2 3.68Å; I42-Q121 PolarHBondContact N-O 2.79Å; I42-V122 CarbonylContact O-C 3.59Å; I42-V122 WeakPolarHBondContact O-CA 3.23Å; I42-G123 PolarHBondContact O-N 3.38Å
43S85.5Confident85.5Confident45 Ų4557 Ų5732%0.31533%0.328SS..EExtended strand (participates in β ladder)trans-61138.8171.8-169.50000110.2D45 T46 V125S43-D45 VanDerWaalsContact C-N 3.32Å; S43-D45 WeakPolarHBondContact CB-OD1 3.33Å; S43-D45 PolarHBondContact O-N 2.72Å; S43-D45 PolarHBondContact OG-OD1 3.35Å; S43-T46 WeakPolarHBondContact O-CB 3.04Å; S43-T46 PolarHBondContact O-N 2.75Å; S43-T46 VanDerWaalsContact O-N 3.12Å; S43-T46 PolarHBondContact O-OG1 3.03Å; S43-V125 VanDerWaalsContact OG-CG2 3.28Å; S43-V125 WeakPolarHBondContact OG-CG2 3.16Å
44E87.3Confident85.5Confident15 Ų1560.5 Ų60.57%0.0734%0.344CS..THydrogen-bonded Turntrans-68.8-30.1-17561.8-157.111800114.9T46 L93 R95 V122 G123 D124 V125E44-T46 PolarHBondContact O-N 2.7Å; E44-L93 HydrophobicContact CB-CB 4.1Å; E44-R95 WeakPolarHBondContact OE1-CB 3.49Å; E44-R95 WeakPolarHBondContact OE2-CB 3.45Å; E44-R95 PolarHBondContact OE2-N 2.79Å; E44-V122 HydrophobicContact CB-CG1 3.63Å; E44-G123 PolarHBondContact N-O 3.18Å; E44-D124 VanDerWaalsContact OE1-CA 3.3Å; E44-D124 WeakPolarHBondContact OE1-CA 3.17Å; E44-V125 HydrophobicContact CG-CB 4.05Å; E44-V125 HydrophobicContact CG-CG2 4.06Å; E44-V125 PolarHBondContact OE1-N 3.01Å; E44-V125 VanDerWaalsContact OE1-N 3.13Å
45D84.8Confident85.8Confident105 Ų10552.7 Ų52.756%0.56131%0.307SS*.THydrogen-bonded Turntrans-64.1-6.7172.482.3-42.4000114.1S43 P47 V125S43-D45 VanDerWaalsContact C-N 3.32Å; S43-D45 WeakPolarHBondContact CB-OD1 3.33Å; S43-D45 PolarHBondContact O-N 2.72Å; S43-D45 PolarHBondContact OG-OD1 3.35Å; D45-P47 WeakPolarHBondContact O-CD 3.29Å; D45-P47 VanDerWaalsContact O-N 3.1Å; D45-V125 HydrophobicContact CB-CG1 4.42Å; D45-V125 HydrophobicContact CB-CG2 4.26Å
46T85.3Confident86.1Confident28 Ų2855.3 Ų55.317%0.17232%0.322CS..  trans-51.7113.5179.2-67.70000110.8I42 S43 E44 V48 S50 L89I42-T46 HydrophobicContact CG2-CG2 3.99Å; I42-T46 WeakPolarHBondContact CG2-OG1 3.15Å; S43-T46 WeakPolarHBondContact O-CB 3.04Å; S43-T46 PolarHBondContact O-N 2.75Å; S43-T46 VanDerWaalsContact O-N 3.12Å; S43-T46 PolarHBondContact O-OG1 3.03Å; E44-T46 PolarHBondContact O-N 2.7Å; T46-V48 PolarHBondContact O-N 2.79Å; T46-S50 WeakPolarHBondContact CG2-OG 3.33Å; T46-L89 HydrophobicContact CG2-CD2 3.88Å; T46-L89 VanDerWaalsContact O-CD2 3.23Å; T46-L89 WeakPolarHBondContact O-CD2 3.37Å
47P81.1Confident86.3Confident93 Ų9355.7 Ų55.760%0.60433%0.327SS*.  trans-64.8136.8-172-26.636000113.2D45 G49 S50D45-P47 WeakPolarHBondContact O-CD 3.29Å; D45-P47 VanDerWaalsContact O-N 3.1Å; P47-G49 PolarHBondContact O-N 2.98Å; P47-S50 WeakPolarHBondContact O-CB 3.29Å; P47-S50 PolarHBondContact O-N 2.93Å; P47-S50 PolarHBondContact O-OG 2.65Å
48V84.6Confident86.5Confident81 Ų8159 Ų5949%0.49133%0.332SS..THydrogen-bonded Turntrans-56.3131.6174.61770000110.5T46 R90 Q91 P92T46-V48 PolarHBondContact O-N 2.79Å; V48-R90 WeakPolarHBondContact CG1-O 3.38Å; V48-Q91 VanDerWaalsContact CG2-C 3.49Å; V48-P92 HydrophobicContact CG2-CB 4.33Å; V48-P92 VanDerWaalsContact CG2-N 3.32Å
49G86.1Confident86.6Confident49 Ų4956.3 Ų56.351%0.50532%0.315SS..THydrogen-bonded Turntrans91.11.6-173.800000114.7P47 W88 L89P47-G49 PolarHBondContact O-N 2.98Å; G49-W88 VanDerWaalsContact O-CE3 3.28Å; G49-W88 WeakPolarHBondContact O-CZ3 3.34Å; G49-L89 PolarHBondContact N-O 3.14Å
50S86.6Confident86.4Confident35 Ų3557 Ų5725%0.24532%0.323CS..  trans-78.2153.5168.761.70000112.4T46 P47 W88 L89T46-S50 WeakPolarHBondContact CG2-OG 3.33Å; P47-S50 WeakPolarHBondContact O-CB 3.29Å; P47-S50 PolarHBondContact O-N 2.93Å; P47-S50 PolarHBondContact O-OG 2.65Å; S50-W88 WeakPolarHBondContact O-CA 3.3Å; S50-L89 PolarHBondContact O-N 3.12Å
51S88.4Confident86.1Confident74 Ų7458.9 Ų58.952%0.51733%0.333SS..EExtended strand (participates in β ladder)trans-85.4111.6174.356.30000110V87S51-V87 CarbonylContact C-O 3.53Å; S51-V87 WeakPolarHBondContact CA-O 3.42Å
52V87.2Confident85.8Confident32 Ų3260.7 Ų60.719%0.19434%0.343CS..EExtended strand (participates in β ladder)trans-75.8-46.7-177.4-178.70000111.1L40 I42 V87 L89L40-V52 HydrophobicContact CD2-CG1 3.92Å; L40-V52 HydrophobicContact CG-CG1 4.44Å; I42-V52 HydrophobicContact CD1-CG1 3.4Å; I42-V52 HydrophobicContact CD1-CG2 4.33Å; I42-V52 HydrophobicContact CG1-CG1 3.65Å; I42-V52 HydrophobicContact CG2-CG1 4.42Å; V52-V87 PolarHBondContact N-O 3.41Å; V52-L89 HydrophobicContact CG2-CB 3.85Å
53T89.3Confident85.5Confident32 Ų3263.1 Ų63.120%0.19636%0.356CS..EExtended strand (participates in β ladder)trans-162-179.7-178.3-161.70000110.8F35 L40 V87F35-T53 HydrophobicContact CE1-CG2 3.98Å; F35-T53 VanDerWaalsContact CE1-OG1 3.23Å; F35-T53 WeakPolarHBondContact CE1-OG1 3.18Å; F35-T53 HydrophobicContact CZ-CG2 3.81Å; L40-T53 HydrophobicContact CD1-CG2 4.43Å; L40-T53 HydrophobicContact CD2-CG2 3.79Å; T53-V87 HydrophobicContact CG2-CB 3.93Å; T53-V87 HydrophobicContact CG2-CG2 3.63Å; T53-V87 PolarHBondContact O-N 2.83Å
54Q90.5Very high85.4Confident88 Ų8865.1 Ų65.141%0.41137%0.368SS..EExtended strand (participates in β ladder)trans-127.7122.7173-173.2177.311.500110.6N33 L56 T84 V86N33-Q54 PolarHBondContact ND2-O 3.35Å; Q54-L56 HydrophobicContact CG-CD2 4.18Å; Q54-T84 PolarHBondContact NE2-O 3.09Å; Q54-V86 HydrophobicContact CB-CG2 4.42Å; Q54-V86 HydrophobicContact CG-CG2 3.99Å
55L90.6Very high85.5Confident0 Ų066.1 Ų66.10%037%0.374CS..  trans-67.9131169.4-57.9-177.1000110F31 N33 F35 F36 F67 V80 G85 V87 F105F31-L55 HydrophobicContact CE1-CB 4.13Å; F31-L55 HydrophobicContact CE1-CD1 4.13Å; F31-L55 HydrophobicContact CE1-CD2 4.42Å; F31-L55 HydrophobicContact CE1-CG 4.47Å; N33-L55 WeakPolarHBondContact OD1-CA 3.4Å; F35-L55 HydrophobicContact CE2-CD2 4.17Å; F35-L55 HydrophobicContact CZ-CD2 4.08Å; F36-L55 HydrophobicContact CE2-CD2 4.26Å; F36-L55 HydrophobicContact CZ-CD2 3.88Å; L55-F67 HydrophobicContact CB-CD1 3.66Å; L55-F67 HydrophobicContact CB-CE1 3.93Å; L55-F67 HydrophobicContact CB-CG 4.39Å; L55-F67 HydrophobicContact CD1-CB 4.4Å; L55-F67 HydrophobicContact CD1-CD1 4.18Å; L55-V80 HydrophobicContact CD1-CG1 3.87Å; L55-V80 HydrophobicContact CD1-CG2 4.17Å; L55-G85 WeakPolarHBondContact CB-O 3.08Å; L55-G85 WeakPolarHBondContact CG-O 3.06Å; L55-G85 PolarHBondContact N-O 2.69Å; L55-V87 HydrophobicContact CD1-CG2 4.38Å; L55-V87 HydrophobicContact CD2-CG2 4.03Å; L55-V87 HydrophobicContact CG-CG2 3.75Å; L55-F105 HydrophobicContact CD1-CB 3.85Å; L55-F105 HydrophobicContact CD1-CD1 3.8Å; L55-F105 HydrophobicContact CD1-CE1 4.48Å; L55-F105 HydrophobicContact CD1-CG 3.82Å; L55-F105 HydrophobicContact CD2-CB 4.25Å; L55-F105 HydrophobicContact CD2-CD1 4.42Å; L55-F105 HydrophobicContact CD2-CD2 3.74Å; L55-F105 HydrophobicContact CD2-CE2 4.14Å; L55-F105 HydrophobicContact CD2-CG 3.9Å; L55-F105 HydrophobicContact CG-CG 4.48Å
56L89.7Confident85.7Confident81 Ų8163.3 Ų63.342%0.42436%0.36SS..  trans-127.2134.1179-61.8175.6000108F31 T32 N33 Q54F31-L56 CarbonylContact C-O 3.58Å; F31-L56 WeakPolarHBondContact CA-O 2.9Å; T32-L56 PolarHBondContact N-O 2.84Å; T32-L56 WeakPolarHBondContact OG1-CB 3.17Å; T32-L56 PolarHBondContact OG1-O 3.07Å; N33-L56 PolarHBondContact OD1-N 3.29Å; N33-L56 PolarHBondContact OD1-O 2.76Å; Q54-L56 HydrophobicContact CG-CD2 4.18Å
57A88.3Confident86.1Confident18 Ų1863.1 Ų63.115%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-147.1166.1179.700000110.6F30 F31 L65 F67 V107F30-A57 CarbonylContact O-C 3.51Å; F30-A57 WeakPolarHBondContact O-CA 3.32Å; F30-A57 VanDerWaalsContact O-CB 3.26Å; F30-A57 WeakPolarHBondContact O-CB 3.2Å; F31-A57 HydrophobicContact CD1-CB 4.18Å; A57-L65 HydrophobicContact CB-CD1 3.86Å; A57-F67 HydrophobicContact CB-CE1 3.64Å; A57-F67 HydrophobicContact CB-CZ 3.89Å; A57-V107 HydrophobicContact CB-CB 4.34Å; A57-V107 HydrophobicContact CB-CG1 4.11Å; A57-V107 HydrophobicContact CB-CG2 3.88Å
58R85.4Confident86.6Confident169 Ų16959.4 Ų59.464%0.63834%0.336SS*.EExtended strand (participates in β ladder)trans-133.7138.2172.1-67.9-175.5178.1-174.90.1110.3P29 F30 T32P29-R58 CarbonylContact C-O 3.59Å; P29-R58 WeakPolarHBondContact CA-O 3.26Å; F30-R58 WeakPolarHBondContact CD1-O 3.32Å; F30-R58 HydrophobicContact CE1-CB 3.94Å; F30-R58 HydrophobicContact CZ-CB 3.95Å; F30-R58 PolarHBondContact N-O 3.18Å; F30-R58 PolarHBondContact O-N 3.41Å; T32-R58 HydrophobicContact CG2-CG 4.21Å
59D83.9Confident86.9Confident14 Ų1456.9 Ų56.98%0.07532%0.321CS..  trans-97.5152.8156.6169.338.2000109.4P29 D61 N62 D63 L65P29-D59 HydrophobicContact CB-CB 4.19Å; D59-D61 VanDerWaalsContact CG-N 3.26Å; D59-D61 PolarHBondContact OD1-N 3.37Å; D59-D61 VanDerWaalsContact OD2-C 3.23Å; D59-D61 WeakPolarHBondContact OD2-CA 3.34Å; D59-D61 WeakPolarHBondContact OD2-CB 3.4Å; D59-D61 PolarHBondContact OD2-N 3.07Å; D59-D61 VanDerWaalsContact OD2-N 3.09Å; D59-N62 WeakPolarHBondContact OD2-CA 3.08Å; D59-N62 PolarHBondContact OD2-N 3.11Å; D59-D63 PolarHBondContact OD2-N 2.84Å; D59-L65 HydrophobicContact CB-CD2 3.91Å
60M80Confident86.8Confident108 Ų10856.5 Ų56.553%0.53231%0.311SS..SBendtrans-96-14.3176.1-68-65.7-62.100113.3R27 F30R27-M60 PolarHBondContact NH2-O 3.03Å; F30-M60 HydrophobicContact CE1-CG 4.29Å; F30-M60 HydrophobicContact CE1-SD 4.44Å
61D80.3Confident86.6Confident56 Ų5657.2 Ų57.230%0.29932%0.323SS..SBendtrans-90.5-14.6173.1-68-36.2000112.5R27 D59R27-D61 WeakPolarHBondContact CB-OD2 3.23Å; R27-D61 IonicContact CZ-OD1 2.64Å; R27-D61 PolarHBondContact N-OD2 2.92Å; R27-D61 IonicContact NE-OD1 3.17Å; R27-D61 PolarHBondContact NE-OD1 3.47Å; R27-D61 IonicContact NE-OD2 2.89Å; R27-D61 IonicContact NH2-OD1 2.57Å; R27-D61 PolarHBondContact NH2-OD1 3.29Å; D59-D61 VanDerWaalsContact CG-N 3.26Å; D59-D61 PolarHBondContact OD1-N 3.37Å; D59-D61 VanDerWaalsContact OD2-C 3.23Å; D59-D61 WeakPolarHBondContact OD2-CA 3.34Å; D59-D61 WeakPolarHBondContact OD2-CB 3.4Å; D59-D61 PolarHBondContact OD2-N 3.07Å; D59-D61 VanDerWaalsContact OD2-N 3.09Å
62N78Confident86.3Confident145 Ų14561.5 Ų61.578%0.77534%0.335SS*.  trans69.330-175.4-62.4-76.6000116D59D59-N62 WeakPolarHBondContact OD2-CA 3.08Å; D59-N62 PolarHBondContact OD2-N 3.11Å
63D81.8Confident86.2Confident58 Ų5863.8 Ų63.831%0.3134%0.344SS..PPolyproline II helixtrans-70.2151.9168.9-89.3-18.4000111.9D59 D109 Q111D59-D63 PolarHBondContact OD2-N 2.84Å; D63-D109 HydrophobicContact CB-CB 4.1Å; D63-Q111 PolarHBondContact OD2-NE2 3.47Å
64P84.6Confident86Confident87 Ų8762.7 Ų62.757%0.56534%0.338SS*.PPolyproline II helixtrans-68.7134.2-179.528.5-34.2000111.3
65L88.5Confident85.7Confident36 Ų3660.6 Ų60.619%0.18833%0.332CS..PPolyproline II helixtrans-93.9136.6-174.8-58.6-174.9000112.6P29 A57 D59 F67 V107 S108 D109P29-L65 HydrophobicContact CB-CD2 3.64Å; P29-L65 HydrophobicContact CG-CD2 4.15Å; A57-L65 HydrophobicContact CB-CD1 3.86Å; D59-L65 HydrophobicContact CB-CD2 3.91Å; L65-F67 HydrophobicContact CB-CE2 4.17Å; L65-F67 HydrophobicContact CB-CZ 4.41Å; L65-F67 HydrophobicContact CD1-CZ 4.38Å; L65-V107 HydrophobicContact CB-CG2 4.07Å; L65-V107 HydrophobicContact CD1-CG2 4.2Å; L65-V107 HydrophobicContact CD2-CG2 4.29Å; L65-V107 HydrophobicContact CG-CG2 4.42Å; L65-S108 CarbonylContact C-O 3.56Å; L65-S108 WeakPolarHBondContact CA-O 3.4Å; L65-D109 HydrophobicContact CD2-CB 4.46Å
66V90.6Very high85.5Confident46 Ų4666.6 Ų66.628%0.27936%0.355SS..EExtended strand (participates in β ladder)trans-115.4119.2171.7-176.10000109.2P82 V107 S108 H110V66-P82 HydrophobicContact CG1-CB 3.87Å; V66-V107 CarbonylContact O-C 3.58Å; V66-V107 WeakPolarHBondContact O-CA 3.12Å; V66-S108 PolarHBondContact N-O 2.97Å; V66-S108 PolarHBondContact O-N 3Å; V66-H110 VanDerWaalsContact CG2-CE1 3.46Å; V66-H110 WeakPolarHBondContact CG2-CE1 3.44Å
67F92.5Very high85.5Confident23 Ų2364.4 Ų64.410%0.10134%0.342CS..EExtended strand (participates in β ladder)trans-91.9158.8178-64.2-85.2000112.3F31 L55 A57 L65 V80 P82 S106 V107F31-F67 HydrophobicContact CE1-CD1 4.02Å; F31-F67 HydrophobicContact CE1-CE1 4.09Å; L55-F67 HydrophobicContact CB-CD1 3.66Å; L55-F67 HydrophobicContact CB-CE1 3.93Å; L55-F67 HydrophobicContact CB-CG 4.39Å; L55-F67 HydrophobicContact CD1-CB 4.4Å; L55-F67 HydrophobicContact CD1-CD1 4.18Å; A57-F67 HydrophobicContact CB-CE1 3.64Å; A57-F67 HydrophobicContact CB-CZ 3.89Å; L65-F67 HydrophobicContact CB-CE2 4.17Å; L65-F67 HydrophobicContact CB-CZ 4.41Å; L65-F67 HydrophobicContact CD1-CZ 4.38Å; F67-V80 HydrophobicContact CB-CG1 3.68Å; F67-P82 WeakPolarHBondContact CD2-O 3.12Å; F67-P82 PolarHBondContact N-O 2.78Å; F67-P82 WeakPolarHBondContact O-CA 3.44Å; F67-S106 CarbonylContact C-O 3.6Å; F67-S106 WeakPolarHBondContact CA-O 3.36Å; F67-V107 HydrophobicContact CD1-CB 4.05Å; F67-V107 HydrophobicContact CD1-CG2 3.89Å; F67-V107 HydrophobicContact CE1-CB 4.17Å; F67-V107 HydrophobicContact CE1-CG2 3.75Å; F67-V107 HydrophobicContact CZ-CG2 4.24Å
68G91.5Very high85.6Confident16 Ų1663.6 Ų63.617%0.16534%0.336CS..EExtended strand (participates in β ladder)trans-168.5176.6178.200000113.9F105 S106G68-F105 WeakPolarHBondContact O-CA 3.46Å; G68-S106 VanDerWaalsContact C-OG 3.29Å; G68-S106 WeakPolarHBondContact CA-OG 2.9Å; G68-S106 PolarHBondContact N-O 2.8Å; G68-S106 PolarHBondContact O-N 3.06Å; G68-S106 PolarHBondContact O-OG 2.77Å
69V91.3Very high85.8Confident28 Ų2857 Ų5717%0.1732%0.317CS..EExtended strand (participates in β ladder)trans-131.1143.517559.80000109.5A74 V80 V103 F105V69-A74 HydrophobicContact CG2-CB 3.63Å; V69-V80 HydrophobicContact CB-CG2 3.8Å; V69-V80 HydrophobicContact CG1-CG2 4.01Å; V69-V103 HydrophobicContact CG2-CG1 3.87Å; V69-F105 HydrophobicContact CB-CD1 3.72Å; V69-F105 HydrophobicContact CB-CE1 3.83Å; V69-F105 HydrophobicContact CG2-CD1 3.83Å; V69-F105 HydrophobicContact CG2-CE1 3.74Å
70S84.3Confident86.2Confident41 Ų4157.3 Ų57.329%0.28732%0.32SS..EExtended strand (participates in β ladder)trans-129.9143.5-171.661.20000112.8A74 E104S70-A74 WeakPolarHBondContact O-CB 3.23Å; S70-E104 PolarHBondContact N-O 2.96Å; S70-E104 WeakPolarHBondContact OG-CG 3.48Å; S70-E104 PolarHBondContact OG-O 2.72Å
71G81.6Confident86.8Confident49 Ų4956.2 Ų56.251%0.50531%0.313SS..SBendtrans100.8134.2-174.600000113E73 A74 S75G71-E73 PolarHBondContact O-N 3.43Å; G71-E73 VanDerWaalsContact O-N 3.14Å; G71-A74 PolarHBondContact O-N 3.26Å; G71-S75 PolarHBondContact O-N 3.01Å; G71-S75 PolarHBondContact O-OG 3.44Å
72E83Confident87.2Confident165 Ų16556.5 Ų56.577%0.77132%0.318SS*.THydrogen-bonded Turntrans-60.8-25.3-172.2-68.8-169.5147.100115.2R76E72-R76 WeakPolarHBondContact O-CB 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.1Å; E72-R76 PolarHBondContact O-NE 3.33Å
73E83.9Confident87.7Confident80 Ų8056.3 Ų56.337%0.37432%0.317SS..THydrogen-bonded Turntrans-81.1-48.5175.1-171.4176.8-130.100110.9G71 S75 R76 F77 K98G71-E73 PolarHBondContact O-N 3.43Å; G71-E73 VanDerWaalsContact O-N 3.14Å; E73-S75 VanDerWaalsContact C-N 3.35Å; E73-S75 PolarHBondContact O-N 3.34Å; E73-R76 WeakPolarHBondContact O-CA 3.43Å; E73-R76 VanDerWaalsContact O-CB 3.26Å; E73-R76 WeakPolarHBondContact O-CB 3.19Å; E73-R76 PolarHBondContact O-N 3.08Å; E73-F77 HydrophobicContact CG-CD2 4.18Å; E73-F77 HydrophobicContact CG-CE2 4.2Å; E73-F77 WeakPolarHBondContact O-CD2 3.04Å; E73-F77 PolarHBondContact O-N 3.2Å; E73-F77 VanDerWaalsContact O-N 3.14Å; E73-K98 IonicContact OE1-NZ 3.12Å; E73-K98 PolarHBondContact OE1-NZ 2.81Å; E73-K98 IonicContact OE2-NZ 2.72Å; E73-K98 PolarHBondContact OE2-NZ 2.84Å
74A84.7Confident88Confident9 Ų956 Ų567%0.07432%0.317CS..Hα-helixtrans-59-42.8176.600000112.4V69 S70 G71 R76 F78 V103V69-A74 HydrophobicContact CG2-CB 3.63Å; S70-A74 WeakPolarHBondContact O-CB 3.23Å; G71-A74 PolarHBondContact O-N 3.26Å; A74-R76 PolarHBondContact O-N 3Å; A74-F78 WeakPolarHBondContact O-CA 3.39Å; A74-F78 WeakPolarHBondContact O-CB 3.49Å; A74-F78 PolarHBondContact O-N 2.81Å; A74-V103 HydrophobicContact CB-CB 4.39Å; A74-V103 HydrophobicContact CB-CG1 3.98Å; A74-V103 HydrophobicContact CB-CG2 4.05Å
75S84.8Confident88.3Confident43 Ų4351.8 Ų51.830%0.30129%0.29SS..Hα-helixtrans-72.8-11.5175.6-52.50000114.4G71 E73 R90G71-S75 PolarHBondContact O-N 3.01Å; G71-S75 PolarHBondContact O-OG 3.44Å; E73-S75 VanDerWaalsContact C-N 3.35Å; E73-S75 PolarHBondContact O-N 3.34Å; S75-R90 PolarHBondContact O-NH1 2.83Å
76R87Confident88.5Confident126 Ų12651.2 Ų51.248%0.47529%0.288SS..Hα-helixtrans-80.6-52.2172.4-105.3-178.9-71.8159.9-5.4110.7E72 E73 A74 R90E72-R76 WeakPolarHBondContact O-CB 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.1Å; E72-R76 PolarHBondContact O-NE 3.33Å; E73-R76 WeakPolarHBondContact O-CA 3.43Å; E73-R76 VanDerWaalsContact O-CB 3.26Å; E73-R76 WeakPolarHBondContact O-CB 3.19Å; E73-R76 PolarHBondContact O-N 3.08Å; A74-R76 PolarHBondContact O-N 3Å; R76-R90 VanDerWaalsContact O-CB 3.28Å; R76-R90 WeakPolarHBondContact O-CB 3.41Å
77F89.4Confident88.5Confident36 Ų3649 Ų4916%0.15828%0.275CS..Hα-helixtrans-79.2-31.8-179.9-73-87.9000113.7E73 R90 Q91 P92 L93 F101E73-F77 HydrophobicContact CG-CD2 4.18Å; E73-F77 HydrophobicContact CG-CE2 4.2Å; E73-F77 WeakPolarHBondContact O-CD2 3.04Å; E73-F77 PolarHBondContact O-N 3.2Å; E73-F77 VanDerWaalsContact O-N 3.14Å; F77-R90 WeakPolarHBondContact O-CB 3.14Å; F77-R90 PolarHBondContact O-N 2.77Å; F77-Q91 HydrophobicContact CD1-CB 3.91Å; F77-Q91 HydrophobicContact CE1-CB 4.13Å; F77-P92 WeakPolarHBondContact CE1-O 3.12Å; F77-L93 HydrophobicContact CD1-CD2 3.84Å; F77-L93 HydrophobicContact CE1-CD2 4.3Å; F77-F101 HydrophobicContact CD1-CE1 4.27Å; F77-F101 HydrophobicContact CD1-CZ 4.25Å; F77-F101 HydrophobicContact CD2-CD1 4.32Å; F77-F101 AromaticContact CD2-CE1 3.62Å; F77-F101 HydrophobicContact CD2-CE1 3.62Å; F77-F101 HydrophobicContact CD2-CZ 4.35Å; F77-F101 HydrophobicContact CE1-CE1 4.19Å; F77-F101 AromaticContact CE1-CZ 3.98Å; F77-F101 HydrophobicContact CE1-CZ 3.98Å; F77-F101 AromaticContact CE2-CE1 3.54Å; F77-F101 HydrophobicContact CE2-CE1 3.54Å; F77-F101 HydrophobicContact CE2-CZ 4.12Å; F77-F101 HydrophobicContact CG-CE1 4Å; F77-F101 HydrophobicContact CG-CZ 4.42Å; F77-F101 AromaticContact CZ-CE1 3.83Å; F77-F101 HydrophobicContact CZ-CE1 3.83Å; F77-F101 AromaticContact CZ-CZ 3.91Å; F77-F101 HydrophobicContact CZ-CZ 3.91Å
78F90.9Very high88.5Confident1 Ų152.4 Ų52.40%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-125.1141.3-173.3-53.7-76.8000112.6I42 A74 V87 W88 L89 L93 V103 I120I42-F78 HydrophobicContact CD1-CE1 3.63Å; I42-F78 HydrophobicContact CD1-CZ 3.92Å; A74-F78 WeakPolarHBondContact O-CA 3.39Å; A74-F78 WeakPolarHBondContact O-CB 3.49Å; A74-F78 PolarHBondContact O-N 2.81Å; F78-V87 HydrophobicContact CB-CG1 4.2Å; F78-V87 HydrophobicContact CD1-CG1 4.17Å; F78-W88 WeakPolarHBondContact CA-O 3.36Å; F78-L89 HydrophobicContact CD1-CD1 4.14Å; F78-L89 HydrophobicContact CE1-CD1 3.66Å; F78-L89 HydrophobicContact CZ-CD1 4.3Å; F78-L93 HydrophobicContact CZ-CD2 4.49Å; F78-V103 HydrophobicContact CD2-CG2 3.81Å; F78-V103 HydrophobicContact CE2-CG2 3.74Å; F78-I120 HydrophobicContact CD2-CD1 4.34Å; F78-I120 HydrophobicContact CE1-CD1 4.16Å; F78-I120 HydrophobicContact CE2-CD1 3.76Å; F78-I120 HydrophobicContact CZ-CD1 3.66Å; F78-I120 HydrophobicContact CZ-CG2 4.33Å
79A90Very high88.5Confident31 Ų3151.7 Ų51.726%0.25628%0.279SS..EExtended strand (participates in β ladder)trans-113.4150.9164.500000109.1V87 W88 R90A79-V87 CarbonylContact O-C 3.6Å; A79-V87 WeakPolarHBondContact O-CA 3.48Å; A79-W88 HydrophobicContact CB-CB 4.36Å; A79-W88 PolarHBondContact N-O 3.44Å; A79-W88 PolarHBondContact O-N 2.57Å; A79-R90 HydrophobicContact CB-CG 3.83Å
80V91.6Very high88.4Confident20 Ų2057.2 Ų57.212%0.12130%0.297CS..EExtended strand (participates in β ladder)trans-123.1127.6173178.60000107.9L55 F67 V69 P82 V86 V87 F105L55-V80 HydrophobicContact CD1-CG1 3.87Å; L55-V80 HydrophobicContact CD1-CG2 4.17Å; F67-V80 HydrophobicContact CB-CG1 3.68Å; V69-V80 HydrophobicContact CB-CG2 3.8Å; V69-V80 HydrophobicContact CG1-CG2 4.01Å; V80-P82 WeakPolarHBondContact O-CD 2.97Å; V80-V86 WeakPolarHBondContact CA-O 2.84Å; V80-V87 HydrophobicContact CG2-CG2 4.3Å; V80-F105 HydrophobicContact CG2-CD1 3.79Å; V80-F105 HydrophobicContact CG2-CE1 3.61Å
81E91.9Very high88.5Confident84 Ų8459 Ų5939%0.39330%0.301SS..  trans-74.2115.5172.6-178.3171.2-124.900109.1D83 T84 G85 V86E81-D83 PolarHBondContact O-N 3.2Å; E81-T84 WeakPolarHBondContact CB-OG1 3.38Å; E81-T84 HydrophobicContact CG-CG2 4.17Å; E81-T84 WeakPolarHBondContact CG-OG1 3.42Å; E81-T84 PolarHBondContact O-N 3.42Å; E81-T84 WeakPolarHBondContact OE2-CB 3.32Å; E81-T84 VanDerWaalsContact OE2-CG2 3.22Å; E81-T84 WeakPolarHBondContact OE2-CG2 3.4Å; E81-T84 PolarHBondContact OE2-OG1 3.12Å; E81-G85 WeakPolarHBondContact O-CA 3.46Å; E81-G85 PolarHBondContact O-N 3.2Å; E81-V86 HydrophobicContact CB-CB 4.47Å; E81-V86 PolarHBondContact N-O 2.79Å
82P89.6Confident88.7Confident62 Ų6260.7 Ų60.740%0.40330%0.303SS..THydrogen-bonded Turntrans-65.9-33.2-162.6-24.534.6000115V66 F67 V80V66-P82 HydrophobicContact CG1-CB 3.87Å; F67-P82 WeakPolarHBondContact CD2-O 3.12Å; F67-P82 PolarHBondContact N-O 2.78Å; F67-P82 WeakPolarHBondContact O-CA 3.44Å; V80-P82 WeakPolarHBondContact O-CD 2.97Å
83D87.9Confident89Confident141 Ų14153.3 Ų53.375%0.75427%0.269SS*.THydrogen-bonded Turntrans-86-17.7-174.8-58-21.3000113E81E81-D83 PolarHBondContact O-N 3.2Å
84T89.2Confident89Confident51 Ų5153.1 Ų53.131%0.31327%0.271SS..THydrogen-bonded Turntrans-118.4-21.2-172.269.20000113.4Q54 E81 V86Q54-T84 PolarHBondContact NE2-O 3.09Å; E81-T84 WeakPolarHBondContact CB-OG1 3.38Å; E81-T84 HydrophobicContact CG-CG2 4.17Å; E81-T84 WeakPolarHBondContact CG-OG1 3.42Å; E81-T84 PolarHBondContact O-N 3.42Å; E81-T84 WeakPolarHBondContact OE2-CB 3.32Å; E81-T84 VanDerWaalsContact OE2-CG2 3.22Å; E81-T84 WeakPolarHBondContact OE2-CG2 3.4Å; E81-T84 PolarHBondContact OE2-OG1 3.12Å; T84-V86 VanDerWaalsContact C-N 3.27Å; T84-V86 PolarHBondContact O-N 3.35Å; T84-V86 WeakPolarHBondContact OG1-CG2 3.44Å; T84-V86 PolarHBondContact OG1-N 3.19Å
85G90Very high89.2Confident0 Ų054.2 Ų54.20%027%0.273CS..  trans76.71.9-173.600000114.8L55 E81 V87L55-G85 WeakPolarHBondContact CB-O 3.08Å; L55-G85 WeakPolarHBondContact CG-O 3.06Å; L55-G85 PolarHBondContact N-O 2.69Å; E81-G85 WeakPolarHBondContact O-CA 3.46Å; E81-G85 PolarHBondContact O-N 3.2Å; G85-V87 PolarHBondContact O-N 2.89Å
86V92.5Very high89.2Confident23 Ų2355 Ų5514%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-65.9128-178.2-178.80000110.6Q54 V80 E81 T84 W88Q54-V86 HydrophobicContact CB-CG2 4.42Å; Q54-V86 HydrophobicContact CG-CG2 3.99Å; V80-V86 WeakPolarHBondContact CA-O 2.84Å; E81-V86 HydrophobicContact CB-CB 4.47Å; E81-V86 PolarHBondContact N-O 2.79Å; T84-V86 VanDerWaalsContact C-N 3.27Å; T84-V86 PolarHBondContact O-N 3.35Å; T84-V86 WeakPolarHBondContact OG1-CG2 3.44Å; T84-V86 PolarHBondContact OG1-N 3.19Å; V86-W88 HydrophobicContact CB-CZ2 4.45Å; V86-W88 HydrophobicContact CG1-CD2 4.21Å; V86-W88 HydrophobicContact CG1-CH2 4.5Å; V86-W88 HydrophobicContact CG1-CZ2 3.7Å
87V91.8Very high88.9Confident1 Ų154.2 Ų54.21%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-95.8125.6179.3-170.20000109.3S51 V52 T53 L55 F78 A79 V80 G85 F105S51-V87 CarbonylContact C-O 3.53Å; S51-V87 WeakPolarHBondContact CA-O 3.42Å; V52-V87 PolarHBondContact N-O 3.41Å; T53-V87 HydrophobicContact CG2-CB 3.93Å; T53-V87 HydrophobicContact CG2-CG2 3.63Å; T53-V87 PolarHBondContact O-N 2.83Å; L55-V87 HydrophobicContact CD1-CG2 4.38Å; L55-V87 HydrophobicContact CD2-CG2 4.03Å; L55-V87 HydrophobicContact CG-CG2 3.75Å; F78-V87 HydrophobicContact CB-CG1 4.2Å; F78-V87 HydrophobicContact CD1-CG1 4.17Å; A79-V87 CarbonylContact O-C 3.6Å; A79-V87 WeakPolarHBondContact O-CA 3.48Å; V80-V87 HydrophobicContact CG2-CG2 4.3Å; G85-V87 PolarHBondContact O-N 2.89Å; V87-F105 HydrophobicContact CG1-CE1 4.08Å; V87-F105 HydrophobicContact CG1-CZ 3.8Å; V87-F105 HydrophobicContact CG2-CE1 4.23Å; V87-F105 HydrophobicContact CG2-CZ 4.05Å
88W91.4Very high88.5Confident93 Ų9355.7 Ų55.735%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-116.9136.3-176.5-59.591.6000110.9G49 S50 F78 A79 V86G49-W88 VanDerWaalsContact O-CE3 3.28Å; G49-W88 WeakPolarHBondContact O-CZ3 3.34Å; S50-W88 WeakPolarHBondContact O-CA 3.3Å; F78-W88 WeakPolarHBondContact CA-O 3.36Å; A79-W88 HydrophobicContact CB-CB 4.36Å; A79-W88 PolarHBondContact N-O 3.44Å; A79-W88 PolarHBondContact O-N 2.57Å; V86-W88 HydrophobicContact CB-CZ2 4.45Å; V86-W88 HydrophobicContact CG1-CD2 4.21Å; V86-W88 HydrophobicContact CG1-CH2 4.5Å; V86-W88 HydrophobicContact CG1-CZ2 3.7Å
89L92.1Very high88.1Confident2 Ų258.7 Ų58.71%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-77.1132.6173.8-17070.1000110.5T46 G49 S50 V52 F78 Q91 L93T46-L89 HydrophobicContact CG2-CD2 3.88Å; T46-L89 VanDerWaalsContact O-CD2 3.23Å; T46-L89 WeakPolarHBondContact O-CD2 3.37Å; G49-L89 PolarHBondContact N-O 3.14Å; S50-L89 PolarHBondContact O-N 3.12Å; V52-L89 HydrophobicContact CG2-CB 3.85Å; F78-L89 HydrophobicContact CD1-CD1 4.14Å; F78-L89 HydrophobicContact CE1-CD1 3.66Å; F78-L89 HydrophobicContact CZ-CD1 4.3Å; L89-Q91 WeakPolarHBondContact CD1-O 3.32Å; L89-Q91 VanDerWaalsContact CG-O 3.25Å; L89-Q91 WeakPolarHBondContact CG-O 3.08Å; L89-L93 HydrophobicContact CD1-CD1 4.25Å; L89-L93 HydrophobicContact CD1-CD2 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.01Å; L89-L93 HydrophobicContact CD2-CG 4.42Å
90R88.4Confident87.8Confident143 Ų14361.9 Ų61.954%0.5432%0.318SS..  trans-113.2-23.5-173.8-56.7-170.777.3-169.8-0.6114.9V48 S75 R76 F77 A79V48-R90 WeakPolarHBondContact CG1-O 3.38Å; S75-R90 PolarHBondContact O-NH1 2.83Å; R76-R90 VanDerWaalsContact O-CB 3.28Å; R76-R90 WeakPolarHBondContact O-CB 3.41Å; F77-R90 WeakPolarHBondContact O-CB 3.14Å; F77-R90 PolarHBondContact O-N 2.77Å; A79-R90 HydrophobicContact CB-CG 3.83Å
91Q87.6Confident87.5Confident78 Ų7861.3 Ų61.336%0.36431%0.314SS..SBendtrans-134.5149.2177.3-65.1-164.8-94.100107.2V48 F77 L89V48-Q91 VanDerWaalsContact CG2-C 3.49Å; F77-Q91 HydrophobicContact CD1-CB 3.91Å; F77-Q91 HydrophobicContact CE1-CB 4.13Å; L89-Q91 WeakPolarHBondContact CD1-O 3.32Å; L89-Q91 VanDerWaalsContact CG-O 3.25Å; L89-Q91 WeakPolarHBondContact CG-O 3.08Å
92P85.7Confident87.1Confident86 Ų8661.6 Ų61.656%0.55832%0.322SS*.  trans-58.7151.2174.228.7-35.4000109.4V48 F77V48-P92 HydrophobicContact CG2-CB 4.33Å; V48-P92 VanDerWaalsContact CG2-N 3.32Å; F77-P92 WeakPolarHBondContact CE1-O 3.12Å
93L88.6Confident87Confident10 Ų1058.7 Ų58.75%0.05230%0.303CS..  trans-89159.3164.9-60.2172000108I42 E44 F77 F78 L89 F101 V122I42-L93 HydrophobicContact CB-CD1 3.73Å; I42-L93 HydrophobicContact CD1-CD1 4.09Å; I42-L93 HydrophobicContact CG2-CD1 3.61Å; E44-L93 HydrophobicContact CB-CB 4.1Å; F77-L93 HydrophobicContact CD1-CD2 3.84Å; F77-L93 HydrophobicContact CE1-CD2 4.3Å; F78-L93 HydrophobicContact CZ-CD2 4.49Å; L89-L93 HydrophobicContact CD1-CD1 4.25Å; L89-L93 HydrophobicContact CD1-CD2 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.01Å; L89-L93 HydrophobicContact CD2-CG 4.42Å; L93-F101 HydrophobicContact CD2-CE2 3.87Å; L93-F101 HydrophobicContact CD2-CZ 4.13Å; L93-V122 HydrophobicContact CB-CG1 3.98Å; L93-V122 HydrophobicContact CB-CG2 4.46Å; L93-V122 HydrophobicContact CD1-CG1 4.42Å; L93-V122 HydrophobicContact CD1-CG2 4.31Å; L93-V122 HydrophobicContact CD2-CG2 4.49Å
94D85.1Confident87.2Confident76 Ų7654.5 Ų54.541%0.40628%0.279SS..  trans-160104.1-172.4168.1-31.5000103.6T97 K98D94-T97 WeakPolarHBondContact OD1-CA 3.24Å; D94-T97 WeakPolarHBondContact OD1-CB 3.18Å; D94-T97 PolarHBondContact OD1-N 3.11Å; D94-T97 PolarHBondContact OD1-OG1 2.81Å; D94-T97 PolarHBondContact OD2-OG1 2.72Å; D94-T97 VanDerWaalsContact OD2-OG1 3.09Å; D94-K98 PolarHBondContact O-N 3Å
95R87.5Confident87.4Confident31 Ų3152 Ų5212%0.11726%0.264CS..Hα-helixtrans-82.1-33.8-165.1-175-152.371.2104.32.4111.4E44 T97 K98 S99 V122 D124 P159 L161E44-R95 WeakPolarHBondContact OE1-CB 3.49Å; E44-R95 WeakPolarHBondContact OE2-CB 3.45Å; E44-R95 PolarHBondContact OE2-N 2.79Å; R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.36Å; R95-K98 CarbonylContact O-C 3.34Å; R95-K98 VanDerWaalsContact O-C 3.24Å; R95-K98 PolarHBondContact O-N 3.16Å; R95-K98 VanDerWaalsContact O-N 3.12Å; R95-S99 PolarHBondContact O-N 2.71Å; R95-V122 HydrophobicContact CB-CB 4.15Å; R95-V122 HydrophobicContact CB-CG1 3.74Å; R95-V122 HydrophobicContact CG-CB 4.05Å; R95-V122 HydrophobicContact CG-CG1 4.12Å; R95-D124 IonicContact CZ-OD1 3.82Å; R95-D124 IonicContact NE-OD1 3.6Å; R95-D124 PolarHBondContact NE-OD1 3.42Å; R95-D124 IonicContact NH1-OD1 3.46Å; R95-D124 PolarHBondContact NH1-OD1 2.91Å; R95-D124 VanDerWaalsContact NH1-OD1 3.13Å; R95-D124 IonicContact NH2-OD1 3.69Å; R95-D124 PolarHBondContact NH2-OD1 3.27Å; R95-D124 VanDerWaalsContact NH2-OD1 3.15Å; R95-P159 PolarHBondContact NH2-O 2.74Å; R95-P159 VanDerWaalsContact NH2-O 3.12Å; R95-L161 VanDerWaalsContact NH1-CG 3.26Å
96E84.5Confident87.4Confident60 Ų6053.1 Ų53.128%0.2827%0.271SS..Hα-helixtrans-62.5-38.5174.8-68.158.1-113.500109.9P159E96-P159 HydrophobicContact CG-CB 3.83Å; E96-P159 HydrophobicContact CG-CG 4.01Å
97T82.5Confident87.4Confident110 Ų11052 Ų5268%0.67527%0.265SS*.Hα-helixtrans-73.7-43.5169-60.40000111.6D94 R95D94-T97 WeakPolarHBondContact OD1-CA 3.24Å; D94-T97 WeakPolarHBondContact OD1-CB 3.18Å; D94-T97 PolarHBondContact OD1-N 3.11Å; D94-T97 PolarHBondContact OD1-OG1 2.81Å; D94-T97 PolarHBondContact OD2-OG1 2.72Å; D94-T97 VanDerWaalsContact OD2-OG1 3.09Å; R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.36Å
98K80.8Confident87.2Confident66 Ų6653 Ų5329%0.28727%0.272SS..Hα-helixtrans-160101.1179.8-158.6-179.6-177.8-161.90115.7E73 D94 R95 E100 F101E73-K98 IonicContact OE1-NZ 3.12Å; E73-K98 PolarHBondContact OE1-NZ 2.81Å; E73-K98 IonicContact OE2-NZ 2.72Å; E73-K98 PolarHBondContact OE2-NZ 2.84Å; D94-K98 PolarHBondContact O-N 3Å; R95-K98 CarbonylContact O-C 3.34Å; R95-K98 VanDerWaalsContact O-C 3.24Å; R95-K98 PolarHBondContact O-N 3.16Å; R95-K98 VanDerWaalsContact O-N 3.12Å; K98-E100 VanDerWaalsContact CE-O 3.23Å; K98-E100 WeakPolarHBondContact CE-O 3.2Å; K98-E100 PolarHBondContact O-N 3.32Å; K98-F101 HydrophobicContact CB-CE2 4.28Å; K98-F101 HydrophobicContact CB-CZ 4.14Å; K98-F101 HydrophobicContact CD-CD1 4.15Å; K98-F101 HydrophobicContact CD-CE1 3.74Å; K98-F101 HydrophobicContact CD-CE2 4.25Å; K98-F101 HydrophobicContact CD-CZ 3.8Å; K98-F101 HydrophobicContact CG-CE2 4.35Å; K98-F101 HydrophobicContact CG-CZ 4.29Å; K98-F101 WeakPolarHBondContact O-CE2 3.36Å
99S81.9Confident87Confident65 Ų6548.7 Ų48.746%0.45526%0.255SS..SBendtrans-74.3-15.3-178.656.60000117R95 V122R95-S99 PolarHBondContact O-N 2.71Å; S99-V122 PolarHBondContact O-N 2.98Å
100E83.8Confident86.4Confident98 Ų9855.1 Ų55.146%0.45829%0.285SS..EExtended strand (participates in β ladder)trans-142.6148.917567165.3-164.700115.3K98 N119 I120K98-E100 VanDerWaalsContact CE-O 3.23Å; K98-E100 WeakPolarHBondContact CE-O 3.2Å; K98-E100 PolarHBondContact O-N 3.32Å; E100-N119 PolarHBondContact OE2-ND2 2.9Å; E100-I120 CarbonylContact C-O 3.6Å; E100-I120 VanDerWaalsContact CA-O 3.32Å; E100-I120 WeakPolarHBondContact CA-O 3.27Å
101F84.3Confident86Confident7 Ų754.2 Ų54.23%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-134113.9178.5-65.1-103.5000111.5F77 L93 K98 V103 N119 I120 V122F77-F101 HydrophobicContact CD1-CE1 4.27Å; F77-F101 HydrophobicContact CD1-CZ 4.25Å; F77-F101 HydrophobicContact CD2-CD1 4.32Å; F77-F101 AromaticContact CD2-CE1 3.62Å; F77-F101 HydrophobicContact CD2-CE1 3.62Å; F77-F101 HydrophobicContact CD2-CZ 4.35Å; F77-F101 HydrophobicContact CE1-CE1 4.19Å; F77-F101 AromaticContact CE1-CZ 3.98Å; F77-F101 HydrophobicContact CE1-CZ 3.98Å; F77-F101 AromaticContact CE2-CE1 3.54Å; F77-F101 HydrophobicContact CE2-CE1 3.54Å; F77-F101 HydrophobicContact CE2-CZ 4.12Å; F77-F101 HydrophobicContact CG-CE1 4Å; F77-F101 HydrophobicContact CG-CZ 4.42Å; F77-F101 AromaticContact CZ-CE1 3.83Å; F77-F101 HydrophobicContact CZ-CE1 3.83Å; F77-F101 AromaticContact CZ-CZ 3.91Å; F77-F101 HydrophobicContact CZ-CZ 3.91Å; L93-F101 HydrophobicContact CD2-CE2 3.87Å; L93-F101 HydrophobicContact CD2-CZ 4.13Å; K98-F101 HydrophobicContact CB-CE2 4.28Å; K98-F101 HydrophobicContact CB-CZ 4.14Å; K98-F101 HydrophobicContact CD-CD1 4.15Å; K98-F101 HydrophobicContact CD-CE1 3.74Å; K98-F101 HydrophobicContact CD-CE2 4.25Å; K98-F101 HydrophobicContact CD-CZ 3.8Å; K98-F101 HydrophobicContact CG-CE2 4.35Å; K98-F101 HydrophobicContact CG-CZ 4.29Å; K98-F101 WeakPolarHBondContact O-CE2 3.36Å; F101-V103 HydrophobicContact CB-CG2 4.21Å; F101-V103 PolarHBondContact O-N 3.1Å; F101-N119 PolarHBondContact O-OD1 3.18Å; F101-I120 HydrophobicContact CB-CB 4.24Å; F101-I120 PolarHBondContact N-O 2.84Å; F101-I120 WeakPolarHBondContact O-CB 3.46Å; F101-I120 PolarHBondContact O-N 2.91Å; F101-V122 HydrophobicContact CD2-CG2 3.98Å; F101-V122 HydrophobicContact CE2-CG2 3.79Å
102T84.9Confident85.7Confident90 Ų9051.5 Ų51.555%0.55228%0.28SS*.EExtended strand (participates in β ladder)trans-78105.2166.4-59.80000110.4K117 V118T102-K117 HydrophobicContact CG2-CB 4.16Å; T102-K117 HydrophobicContact CG2-CD 3.99Å; T102-K117 HydrophobicContact CG2-CG 4.44Å; T102-V118 WeakPolarHBondContact CA-O 3.47Å
103V87.8Confident85.7Confident1 Ų151.6 Ų51.61%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-104.7133.3-177.6168.60000111.4V69 A74 F78 F101 F105 K117 V118 I120V69-V103 HydrophobicContact CG2-CG1 3.87Å; A74-V103 HydrophobicContact CB-CB 4.39Å; A74-V103 HydrophobicContact CB-CG1 3.98Å; A74-V103 HydrophobicContact CB-CG2 4.05Å; F78-V103 HydrophobicContact CD2-CG2 3.81Å; F78-V103 HydrophobicContact CE2-CG2 3.74Å; F101-V103 HydrophobicContact CB-CG2 4.21Å; F101-V103 PolarHBondContact O-N 3.1Å; V103-F105 HydrophobicContact CB-CE2 4.48Å; V103-F105 HydrophobicContact CG1-CD1 4.08Å; V103-F105 HydrophobicContact CG1-CD2 4.03Å; V103-F105 HydrophobicContact CG1-CE1 3.7Å; V103-F105 HydrophobicContact CG1-CE2 3.66Å; V103-F105 HydrophobicContact CG1-CG 4.23Å; V103-F105 HydrophobicContact CG1-CZ 3.47Å; V103-F105 VanDerWaalsContact CG1-CZ 3.47Å; V103-K117 CarbonylContact O-C 3.53Å; V103-K117 VanDerWaalsContact O-CA 3.29Å; V103-K117 WeakPolarHBondContact O-CA 3.23Å; V103-V118 HydrophobicContact CB-CG1 4.21Å; V103-V118 PolarHBondContact N-O 3.43Å; V103-V118 PolarHBondContact O-N 3.36Å; V103-I120 HydrophobicContact CB-CD1 3.86Å; V103-I120 HydrophobicContact CB-CG1 4.34Å; V103-I120 HydrophobicContact CG1-CD1 4.44Å; V103-I120 HydrophobicContact CG2-CD1 3.58Å; V103-I120 HydrophobicContact CG2-CG1 4.22Å
104E91.3Very high85.7Confident53 Ų5353.6 Ų53.625%0.24829%0.289CS..EExtended strand (participates in β ladder)trans-104.3105.2177.9-169.6160.6-158.500111.6S70 T115 K117S70-E104 PolarHBondContact N-O 2.96Å; S70-E104 WeakPolarHBondContact OG-CG 3.48Å; S70-E104 PolarHBondContact OG-O 2.72Å; E104-T115 HydrophobicContact CG-CG2 4.19Å; E104-T115 VanDerWaalsContact OE1-CB 3.25Å; E104-T115 WeakPolarHBondContact OE1-CB 3.3Å; E104-T115 PolarHBondContact OE1-OG1 2.72Å; E104-K117 HydrophobicContact CB-CG 3.96Å; E104-K117 HydrophobicContact CG-CG 3.95Å; E104-K117 WeakPolarHBondContact OE1-CE 3.47Å; E104-K117 WeakPolarHBondContact OE2-CE 3.48Å; E104-K117 IonicContact OE2-NZ 2.79Å; E104-K117 PolarHBondContact OE2-NZ 3.24Å; E104-K117 VanDerWaalsContact OE2-NZ 3.12Å
105F92.8Very high85.9Confident0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-92148.4176-68.4-58.9000111.4F31 F36 L55 G68 V69 V80 V87 V103 T115 R116 V118F31-F105 HydrophobicContact CZ-CB 4.09Å; F36-F105 HydrophobicContact CE1-CB 4.02Å; F36-F105 AromaticContact CE1-CD2 3.86Å; F36-F105 HydrophobicContact CE1-CD2 3.86Å; F36-F105 HydrophobicContact CE1-CG 4.44Å; F36-F105 HydrophobicContact CZ-CB 3.92Å; F36-F105 AromaticContact CZ-CD2 3.99Å; F36-F105 HydrophobicContact CZ-CD2 3.99Å; F36-F105 HydrophobicContact CZ-CG 4.41Å; L55-F105 HydrophobicContact CD1-CB 3.85Å; L55-F105 HydrophobicContact CD1-CD1 3.8Å; L55-F105 HydrophobicContact CD1-CE1 4.48Å; L55-F105 HydrophobicContact CD1-CG 3.82Å; L55-F105 HydrophobicContact CD2-CB 4.25Å; L55-F105 HydrophobicContact CD2-CD1 4.42Å; L55-F105 HydrophobicContact CD2-CD2 3.74Å; L55-F105 HydrophobicContact CD2-CE2 4.14Å; L55-F105 HydrophobicContact CD2-CG 3.9Å; L55-F105 HydrophobicContact CG-CG 4.48Å; G68-F105 WeakPolarHBondContact O-CA 3.46Å; V69-F105 HydrophobicContact CB-CD1 3.72Å; V69-F105 HydrophobicContact CB-CE1 3.83Å; V69-F105 HydrophobicContact CG2-CD1 3.83Å; V69-F105 HydrophobicContact CG2-CE1 3.74Å; V80-F105 HydrophobicContact CG2-CD1 3.79Å; V80-F105 HydrophobicContact CG2-CE1 3.61Å; V87-F105 HydrophobicContact CG1-CE1 4.08Å; V87-F105 HydrophobicContact CG1-CZ 3.8Å; V87-F105 HydrophobicContact CG2-CE1 4.23Å; V87-F105 HydrophobicContact CG2-CZ 4.05Å; V103-F105 HydrophobicContact CB-CE2 4.48Å; V103-F105 HydrophobicContact CG1-CD1 4.08Å; V103-F105 HydrophobicContact CG1-CD2 4.03Å; V103-F105 HydrophobicContact CG1-CE1 3.7Å; V103-F105 HydrophobicContact CG1-CE2 3.66Å; V103-F105 HydrophobicContact CG1-CG 4.23Å; V103-F105 HydrophobicContact CG1-CZ 3.47Å; V103-F105 VanDerWaalsContact CG1-CZ 3.47Å; F105-T115 CarbonylContact O-C 3.48Å; F105-T115 WeakPolarHBondContact O-CA 3.18Å; F105-R116 PolarHBondContact N-O 3.3Å; F105-R116 PolarHBondContact O-N 3.3Å; F105-V118 HydrophobicContact CD2-CG1 3.71Å; F105-V118 HydrophobicContact CE2-CG1 3.6Å
106S91.2Very high86Confident23 Ų2355.2 Ų55.216%0.16130%0.296CS..EExtended strand (participates in β ladder)trans-124.5144.5-176.262.60000112.2F31 F67 G68 I114F31-S106 VanDerWaalsContact CZ-C 3.49Å; F67-S106 CarbonylContact C-O 3.6Å; F67-S106 WeakPolarHBondContact CA-O 3.36Å; G68-S106 VanDerWaalsContact C-OG 3.29Å; G68-S106 WeakPolarHBondContact CA-OG 2.9Å; G68-S106 PolarHBondContact N-O 2.8Å; G68-S106 PolarHBondContact O-N 3.06Å; G68-S106 PolarHBondContact O-OG 2.77Å; S106-I114 CarbonylContact C-O 3.56Å; S106-I114 WeakPolarHBondContact CA-O 3.37Å
107V91Very high86.3Confident0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-132.514116763.60000110.5P29 F31 A57 L65 V66 F67 V113 I114P29-V107 HydrophobicContact CB-CG1 4.2Å; P29-V107 HydrophobicContact CB-CG2 4.35Å; P29-V107 HydrophobicContact CG-CG1 4.16Å; P29-V107 HydrophobicContact CG-CG2 4.39Å; F31-V107 HydrophobicContact CD1-CG1 4.41Å; F31-V107 HydrophobicContact CD2-CG1 4.05Å; F31-V107 HydrophobicContact CE1-CB 4.01Å; F31-V107 HydrophobicContact CE1-CG1 4.11Å; F31-V107 HydrophobicContact CE2-CB 4.25Å; F31-V107 HydrophobicContact CE2-CG1 3.75Å; F31-V107 HydrophobicContact CG-CG1 4.39Å; F31-V107 HydrophobicContact CZ-CB 3.79Å; F31-V107 HydrophobicContact CZ-CG1 3.8Å; A57-V107 HydrophobicContact CB-CB 4.34Å; A57-V107 HydrophobicContact CB-CG1 4.11Å; A57-V107 HydrophobicContact CB-CG2 3.88Å; L65-V107 HydrophobicContact CB-CG2 4.07Å; L65-V107 HydrophobicContact CD1-CG2 4.2Å; L65-V107 HydrophobicContact CD2-CG2 4.29Å; L65-V107 HydrophobicContact CG-CG2 4.42Å; V66-V107 CarbonylContact O-C 3.58Å; V66-V107 WeakPolarHBondContact O-CA 3.12Å; F67-V107 HydrophobicContact CD1-CB 4.05Å; F67-V107 HydrophobicContact CD1-CG2 3.89Å; F67-V107 HydrophobicContact CE1-CB 4.17Å; F67-V107 HydrophobicContact CE1-CG2 3.75Å; F67-V107 HydrophobicContact CZ-CG2 4.24Å; V107-V113 WeakPolarHBondContact O-CA 3.17Å; V107-I114 PolarHBondContact N-O 2.92Å; V107-I114 PolarHBondContact O-N 2.97Å
108S88.9Confident86.6Confident22 Ų2252.8 Ų52.815%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-134.4144.9-176.2-176.10000111.8L65 V66 H110 G112L65-S108 CarbonylContact C-O 3.56Å; L65-S108 WeakPolarHBondContact CA-O 3.4Å; V66-S108 PolarHBondContact N-O 2.97Å; V66-S108 PolarHBondContact O-N 3Å; S108-H110 PolarHBondContact OG-N 2.79Å; S108-H110 VanDerWaalsContact OG-N 3.15Å; S108-G112 VanDerWaalsContact CA-O 3.31Å; S108-G112 WeakPolarHBondContact CA-O 3.23Å; S108-G112 WeakPolarHBondContact CB-O 3.27Å; S108-G112 PolarHBondContact OG-O 3.46Å
109D86.6Confident86.9Confident1 Ų151.7 Ų51.71%0.00527%0.273CS..  trans-100.815.4171.857.96.5000111.8N26 P29 D63 L65 Q111 G112N26-D109 PolarHBondContact ND2-OD2 2.81Å; P29-D109 VanDerWaalsContact CD-OD2 3.32Å; P29-D109 WeakPolarHBondContact CD-OD2 3.43Å; P29-D109 HydrophobicContact CG-CB 4.18Å; D63-D109 HydrophobicContact CB-CB 4.1Å; L65-D109 HydrophobicContact CD2-CB 4.46Å; D109-Q111 PolarHBondContact O-N 3.01Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.36Å; D109-Q111 PolarHBondContact OD1-N 2.61Å; D109-G112 PolarHBondContact N-O 2.88Å; D109-G112 PolarHBondContact OD1-N 2.8Å; D109-G112 VanDerWaalsContact OD1-O 3.12Å
110H79.6Confident87.2Confident138 Ų13848.6 Ų48.664%0.63925%0.251SS*.SBendtrans62.8-11.4-165.6-55.7-78.9000116.9V66 S108V66-H110 VanDerWaalsContact CG2-CE1 3.46Å; V66-H110 WeakPolarHBondContact CG2-CE1 3.44Å; S108-H110 PolarHBondContact OG-N 2.79Å; S108-H110 VanDerWaalsContact OG-N 3.15Å
111Q79.8Confident87.3Confident124 Ų12447.4 Ų47.458%0.57925%0.246SC*.SBendtrans-97.3-22.8176.1-59.9-166.159.500112.6N26 D63 D109N26-Q111 VanDerWaalsContact OD1-CD 3.25Å; N26-Q111 PolarHBondContact OD1-NE2 2.83Å; N26-Q111 PolarHBondContact OD1-OE1 2.77Å; D63-Q111 PolarHBondContact OD2-NE2 3.47Å; D109-Q111 PolarHBondContact O-N 3.01Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.36Å; D109-Q111 PolarHBondContact OD1-N 2.61Å
112G80.9Confident87.5Confident20 Ų2047.7 Ų47.721%0.20625%0.248CC..  trans-164.5-175.217400000112.3S108 D109S108-G112 VanDerWaalsContact CA-O 3.31Å; S108-G112 WeakPolarHBondContact CA-O 3.23Å; S108-G112 WeakPolarHBondContact CB-O 3.27Å; S108-G112 PolarHBondContact OG-O 3.46Å; D109-G112 PolarHBondContact N-O 2.88Å; D109-G112 PolarHBondContact OD1-N 2.8Å; D109-G112 VanDerWaalsContact OD1-O 3.12Å
113V86.8Confident87.4Confident88 Ų8844.1 Ų44.153%0.53323%0.229SC..EExtended strand (participates in β ladder)trans-141.8138.3-176.5-168.90000109.1V107V107-V113 WeakPolarHBondContact O-CA 3.17Å
114I88Confident87.1Confident53 Ų5346.9 Ų46.927%0.27224%0.244SC..EExtended strand (participates in β ladder)trans-118.2138.2166.6-78.3-173.1000109.5L28 P29 S106 V107L28-I114 HydrophobicContact CB-CD1 3.55Å; L28-I114 HydrophobicContact CB-CG1 3.98Å; L28-I114 HydrophobicContact CD1-CD1 4Å; L28-I114 HydrophobicContact CD1-CG1 4.04Å; L28-I114 HydrophobicContact CG-CD1 4.41Å; P29-I114 WeakPolarHBondContact O-CB 3.48Å; P29-I114 WeakPolarHBondContact O-CD1 3.46Å; S106-I114 CarbonylContact C-O 3.56Å; S106-I114 WeakPolarHBondContact CA-O 3.37Å; V107-I114 PolarHBondContact N-O 2.92Å; V107-I114 PolarHBondContact O-N 2.97Å
115T89.4Confident86.8Confident63 Ų6346.2 Ų46.239%0.38724%0.244SC..EExtended strand (participates in β ladder)trans-109.2150.617161.70000111.5E104 F105E104-T115 HydrophobicContact CG-CG2 4.19Å; E104-T115 VanDerWaalsContact OE1-CB 3.25Å; E104-T115 WeakPolarHBondContact OE1-CB 3.3Å; E104-T115 PolarHBondContact OE1-OG1 2.72Å; F105-T115 CarbonylContact O-C 3.48Å; F105-T115 WeakPolarHBondContact O-CA 3.18Å
116R89.8Confident86.4Confident77 Ų7747.2 Ų47.229%0.29125%0.249SC..EExtended strand (participates in β ladder)trans-134.1146.4162.5-77.5-164.876171.62.6109.5F31 F36 D37 F105F31-R116 HydrophobicContact CD2-CB 3.96Å; F31-R116 HydrophobicContact CD2-CG 3.9Å; F31-R116 HydrophobicContact CE2-CB 4.29Å; F36-R116 HydrophobicContact CD1-CB 3.48Å; F36-R116 VanDerWaalsContact CD1-CB 3.48Å; F36-R116 HydrophobicContact CE1-CB 3.61Å; F36-R116 HydrophobicContact CG-CB 4.01Å; F36-R116 HydrophobicContact CZ-CB 4.25Å; F36-R116 PolarHBondContact O-NH2 2.87Å; D37-R116 IonicContact OD1-CZ 2.71Å; D37-R116 IonicContact OD1-NH1 3.38Å; D37-R116 IonicContact OD1-NH2 3.64Å; D37-R116 PolarHBondContact OD1-NH2 3Å; D37-R116 IonicContact OD2-CZ 3.85Å; D37-R116 IonicContact OD2-NH1 2.75Å; D37-R116 PolarHBondContact OD2-NH1 2.95Å; D37-R116 IonicContact OD2-NH2 3.79Å; D37-R116 PolarHBondContact OD2-NH2 3.32Å; F105-R116 PolarHBondContact N-O 3.3Å; F105-R116 PolarHBondContact O-N 3.3Å
117K89.6Confident86Confident117 Ų11751.3 Ų51.351%0.50927%0.269SS..EExtended strand (participates in β ladder)trans-94.2140.2170.9-63.4-171.9177.7-165.40110T102 V103 E104T102-K117 HydrophobicContact CG2-CB 4.16Å; T102-K117 HydrophobicContact CG2-CD 3.99Å; T102-K117 HydrophobicContact CG2-CG 4.44Å; V103-K117 CarbonylContact O-C 3.53Å; V103-K117 VanDerWaalsContact O-CA 3.29Å; V103-K117 WeakPolarHBondContact O-CA 3.23Å; E104-K117 HydrophobicContact CB-CG 3.96Å; E104-K117 HydrophobicContact CG-CG 3.95Å; E104-K117 WeakPolarHBondContact OE1-CE 3.47Å; E104-K117 WeakPolarHBondContact OE2-CE 3.48Å; E104-K117 IonicContact OE2-NZ 2.79Å; E104-K117 PolarHBondContact OE2-NZ 3.24Å; E104-K117 VanDerWaalsContact OE2-NZ 3.12Å
118V89Confident85.8Confident3 Ų353.7 Ų53.72%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-120.7143.116852.80000107.6F35 F36 L40 T102 V103 F105 I120F35-V118 HydrophobicContact CB-CG2 4.45Å; F35-V118 HydrophobicContact CD2-CB 4.42Å; F35-V118 HydrophobicContact CD2-CG2 3.99Å; F35-V118 WeakPolarHBondContact O-CG2 3.26Å; F36-V118 HydrophobicContact CD1-CB 3.87Å; F36-V118 HydrophobicContact CD1-CG1 4.41Å; F36-V118 HydrophobicContact CE1-CB 4.27Å; F36-V118 HydrophobicContact CE1-CG1 4.32Å; L40-V118 HydrophobicContact CB-CG2 4.06Å; T102-V118 WeakPolarHBondContact CA-O 3.47Å; V103-V118 HydrophobicContact CB-CG1 4.21Å; V103-V118 PolarHBondContact N-O 3.43Å; V103-V118 PolarHBondContact O-N 3.36Å; F105-V118 HydrophobicContact CD2-CG1 3.71Å; F105-V118 HydrophobicContact CE2-CG1 3.6Å; V118-I120 HydrophobicContact CG1-CG1 4.15Å; V118-I120 HydrophobicContact CG2-CG1 4.45Å
119N87.1Confident85.7Confident42 Ų4254.2 Ų54.223%0.22529%0.288CS..EExtended strand (participates in β ladder)trans-86.2127.8163-160.317.4000108.7Y39 L40 E100 F101Y39-N119 CarbonylContact C-O 3.54Å; Y39-N119 WeakPolarHBondContact CA-O 3.24Å; Y39-N119 VanDerWaalsContact CB-O 3.27Å; Y39-N119 WeakPolarHBondContact CB-O 2.95Å; L40-N119 PolarHBondContact N-O 3.15Å; E100-N119 PolarHBondContact OE2-ND2 2.9Å; F101-N119 PolarHBondContact O-OD1 3.18Å
120I88.9Confident85.9Confident1 Ų154.2 Ų54.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-105.6117.7175.2-55.7-173000106.7L40 I42 F78 E100 F101 V103 V118L40-I120 HydrophobicContact CB-CG1 4.3Å; L40-I120 HydrophobicContact CD2-CD1 4.24Å; L40-I120 HydrophobicContact CD2-CG1 4.36Å; L40-I120 CarbonylContact O-C 3.6Å; L40-I120 VanDerWaalsContact O-CA 3.25Å; L40-I120 WeakPolarHBondContact O-CA 3.4Å; L40-I120 WeakPolarHBondContact O-CG2 3.4Å; I42-I120 HydrophobicContact CD1-CG2 3.32Å; I42-I120 HydrophobicContact CG1-CG2 3.68Å; F78-I120 HydrophobicContact CD2-CD1 4.34Å; F78-I120 HydrophobicContact CE1-CD1 4.16Å; F78-I120 HydrophobicContact CE2-CD1 3.76Å; F78-I120 HydrophobicContact CZ-CD1 3.66Å; F78-I120 HydrophobicContact CZ-CG2 4.33Å; E100-I120 CarbonylContact C-O 3.6Å; E100-I120 VanDerWaalsContact CA-O 3.32Å; E100-I120 WeakPolarHBondContact CA-O 3.27Å; F101-I120 HydrophobicContact CB-CB 4.24Å; F101-I120 PolarHBondContact N-O 2.84Å; F101-I120 WeakPolarHBondContact O-CB 3.46Å; F101-I120 PolarHBondContact O-N 2.91Å; V103-I120 HydrophobicContact CB-CD1 3.86Å; V103-I120 HydrophobicContact CB-CG1 4.34Å; V103-I120 HydrophobicContact CG1-CD1 4.44Å; V103-I120 HydrophobicContact CG2-CD1 3.58Å; V103-I120 HydrophobicContact CG2-CG1 4.22Å; V118-I120 HydrophobicContact CG1-CG1 4.15Å; V118-I120 HydrophobicContact CG2-CG1 4.45Å
121Q86.1Confident86.3Confident73 Ų7351.4 Ų51.434%0.34128%0.28SS..EExtended strand (participates in β ladder)trans-94.6139.2174.7-71.6-175.6-38.900109.3Y39 L40 L41 I42Y39-Q121 HydrophobicContact CD2-CB 4.45Å; Y39-Q121 HydrophobicContact CD2-CG 4.41Å; L40-Q121 PolarHBondContact O-N 2.91Å; L41-Q121 WeakPolarHBondContact CA-O 3.04Å; L41-Q121 HydrophobicContact CD1-CB 4.08Å; I42-Q121 PolarHBondContact N-O 2.79Å
122V87.4Confident86.9Confident12 Ų1246.3 Ų46.37%0.07326%0.256CS..EExtended strand (participates in β ladder)trans-92.8126.7174.4-171.60000108.6I42 E44 L93 R95 S99 F101I42-V122 CarbonylContact O-C 3.59Å; I42-V122 WeakPolarHBondContact O-CA 3.23Å; E44-V122 HydrophobicContact CB-CG1 3.63Å; L93-V122 HydrophobicContact CB-CG1 3.98Å; L93-V122 HydrophobicContact CB-CG2 4.46Å; L93-V122 HydrophobicContact CD1-CG1 4.42Å; L93-V122 HydrophobicContact CD1-CG2 4.31Å; L93-V122 HydrophobicContact CD2-CG2 4.49Å; R95-V122 HydrophobicContact CB-CB 4.15Å; R95-V122 HydrophobicContact CB-CG1 3.74Å; R95-V122 HydrophobicContact CG-CB 4.05Å; R95-V122 HydrophobicContact CG-CG1 4.12Å; S99-V122 PolarHBondContact O-N 2.98Å; F101-V122 HydrophobicContact CD2-CG2 3.98Å; F101-V122 HydrophobicContact CE2-CG2 3.79Å
123G83.7Confident87.1Confident16 Ų1648.7 Ų48.717%0.16526%0.262CS..EExtended strand (participates in β ladder)trans-85.5128.5177.400000111.2I42 E44I42-G123 PolarHBondContact O-N 3.38Å; E44-G123 PolarHBondContact N-O 3.18Å
124D82.5Confident87Confident59 Ų5951.6 Ų51.632%0.31627%0.274SS..PPolyproline II helixtrans-60.5131.7179.1-166.598.6000112.5E44 R95 L161E44-D124 VanDerWaalsContact OE1-CA 3.3Å; E44-D124 WeakPolarHBondContact OE1-CA 3.17Å; R95-D124 IonicContact CZ-OD1 3.82Å; R95-D124 IonicContact NE-OD1 3.6Å; R95-D124 PolarHBondContact NE-OD1 3.42Å; R95-D124 IonicContact NH1-OD1 3.46Å; R95-D124 PolarHBondContact NH1-OD1 2.91Å; R95-D124 VanDerWaalsContact NH1-OD1 3.13Å; R95-D124 IonicContact NH2-OD1 3.69Å; R95-D124 PolarHBondContact NH2-OD1 3.27Å; R95-D124 VanDerWaalsContact NH2-OD1 3.15Å; D124-L161 VanDerWaalsContact OD1-CB 3.23Å; D124-L161 WeakPolarHBondContact OD1-CB 3.44Å; D124-L161 WeakPolarHBondContact OD1-CG 3.3Å; D124-L161 PolarHBondContact OD1-N 3.2Å; D124-L161 PolarHBondContact OD2-N 3.24Å
125V83.4Confident86.7Confident39 Ų3953.9 Ų53.924%0.23628%0.284CS..  trans-134.7130.8174.4178.10000109.2S43 E44 D45 D127S43-V125 VanDerWaalsContact OG-CG2 3.28Å; S43-V125 WeakPolarHBondContact OG-CG2 3.16Å; E44-V125 HydrophobicContact CG-CB 4.05Å; E44-V125 HydrophobicContact CG-CG2 4.06Å; E44-V125 PolarHBondContact OE1-N 3.01Å; E44-V125 VanDerWaalsContact OE1-N 3.13Å; D45-V125 HydrophobicContact CB-CG1 4.42Å; D45-V125 HydrophobicContact CB-CG2 4.26Å; V125-D127 VanDerWaalsContact O-CB 3.23Å; V125-D127 WeakPolarHBondContact O-CB 3.29Å; V125-D127 PolarHBondContact O-N 3.04Å
126N84.2Confident86.5Confident20 Ų2056.8 Ų56.811%0.10730%0.303CS..SBendtrans-63102.7178.6-155.372.8000111.3D160 G164 D209 D211 R214N126-D160 WeakPolarHBondContact CA-OD2 3.44Å; N126-G164 WeakPolarHBondContact OD1-CA 3.42Å; N126-D209 PolarHBondContact ND2-OD2 2.85Å; N126-D211 HydrophobicContact CB-CB 4.1Å; N126-R214 PolarHBondContact ND2-O 3.31Å
127D84Confident86.5Confident109 Ų10953.6 Ų53.658%0.58329%0.292SS*.  trans-138.8-31.1-163.1166-81.3000110.9V125 D160V125-D127 VanDerWaalsContact O-CB 3.23Å; V125-D127 WeakPolarHBondContact O-CB 3.29Å; V125-D127 PolarHBondContact O-N 3.04Å; D127-D160 PolarHBondContact N-OD2 3.42Å
128N85.4Confident86.5Confident50 Ų5050.9 Ų50.927%0.26729%0.288SS..  trans-88.6165.3172.6-66.3-83.3000112P159 D160 L216N128-P159 HydrophobicContact CB-CG 3.51Å; N128-D160 WeakPolarHBondContact CB-OD1 3.33Å; N128-D160 PolarHBondContact N-OD2 2.87Å; N128-D160 PolarHBondContact ND2-OD1 3.33Å; N128-L216 WeakPolarHBondContact O-CB 3.42Å; N128-L216 WeakPolarHBondContact O-CD1 3.27Å
129A86.9Confident86.7Confident34 Ų3452 Ų5228%0.28130%0.295SS..  trans-126144.3179.200000111T131 D158 L216A129-T131 PolarHBondContact O-N 3.07Å; A129-T131 PolarHBondContact O-OG1 3.3Å; A129-D158 WeakPolarHBondContact CA-OD2 3.33Å; A129-D158 PolarHBondContact N-OD2 3.28Å; A129-L216 HydrophobicContact CB-CB 4Å
130P92.1Very high86.9Confident0 Ų058 Ų580%031%0.314CS..  trans-55.3116.6-171.4-32.135.8000112.9A156 D158 V167 A207 D209 T218P130-A156 HydrophobicContact CB-CB 4.32Å; P130-D158 WeakPolarHBondContact CA-OD2 3.21Å; P130-D158 VanDerWaalsContact CD-OD2 3.29Å; P130-D158 WeakPolarHBondContact CD-OD2 3.28Å; P130-D158 HydrophobicContact CG-CB 4.28Å; P130-V167 HydrophobicContact CB-CG1 3.9Å; P130-V167 HydrophobicContact CB-CG2 3.81Å; P130-V167 HydrophobicContact CG-CG1 4.27Å; P130-V167 HydrophobicContact CG-CG2 4.08Å; P130-A207 HydrophobicContact CB-CB 3.92Å; P130-D209 HydrophobicContact CG-CB 4.28Å; P130-T218 WeakPolarHBondContact O-CB 3.34Å; P130-T218 PolarHBondContact O-OG1 3.2Å
131T88.3Confident87.1Confident80 Ų8058.5 Ų58.549%0.49132%0.316SS..EExtended strand (participates in β ladder)trans-96.3113.1-172.6-61.20000110.8A129 H133 A156 T157A129-T131 PolarHBondContact O-N 3.07Å; A129-T131 PolarHBondContact O-OG1 3.3Å; T131-H133 PolarHBondContact O-NE2 2.88Å; T131-A156 VanDerWaalsContact O-CA 3.23Å; T131-A156 WeakPolarHBondContact O-CA 3.43Å; T131-T157 PolarHBondContact N-O 3.48Å; T131-T157 PolarHBondContact O-N 3.01Å
132F91.1Very high87.2Confident17 Ų1757.2 Ų57.28%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-70.4142176.9-77.8-70.9000113.6Q135 Y137 V154 N155 A156 Y169 V205 A207 T218 A220F132-Q135 HydrophobicContact CB-CG 4.22Å; F132-Y137 AromaticContact CD1-CE2 3.95Å; F132-Y137 HydrophobicContact CD1-CE2 3.95Å; F132-Y137 WeakPolarHBondContact CD1-OH 3.43Å; F132-Y137 HydrophobicContact CE1-CE2 4.3Å; F132-Y137 HydrophobicContact CG-CE2 4.38Å; F132-V154 HydrophobicContact CE1-CB 4.23Å; F132-V154 HydrophobicContact CE1-CG2 4.4Å; F132-N155 WeakPolarHBondContact CA-O 3.37Å; F132-A156 HydrophobicContact CB-CB 4.49Å; F132-A156 HydrophobicContact CD1-CB 3.64Å; F132-A156 HydrophobicContact CE1-CB 4.1Å; F132-A156 HydrophobicContact CG-CB 4.01Å; F132-Y169 HydrophobicContact CE1-CD1 4.09Å; F132-Y169 AromaticContact CE1-CE1 3.95Å; F132-Y169 HydrophobicContact CE1-CE1 3.95Å; F132-V205 HydrophobicContact CE1-CG1 3.98Å; F132-V205 HydrophobicContact CZ-CB 4.12Å; F132-V205 HydrophobicContact CZ-CG1 3.65Å; F132-A207 HydrophobicContact CD1-CB 4.5Å; F132-A207 HydrophobicContact CD2-CB 4.35Å; F132-A207 HydrophobicContact CE1-CB 3.79Å; F132-A207 HydrophobicContact CE2-CB 3.62Å; F132-A207 HydrophobicContact CZ-CB 3.31Å; F132-T218 HydrophobicContact CD2-CG2 3.99Å; F132-T218 HydrophobicContact CE2-CG2 4.46Å; F132-T218 WeakPolarHBondContact CE2-O 3.13Å; F132-A220 HydrophobicContact CD1-CB 4.32Å; F132-A220 HydrophobicContact CD2-CB 3.48Å; F132-A220 VanDerWaalsContact CD2-CB 3.48Å; F132-A220 HydrophobicContact CE1-CB 4.3Å; F132-A220 HydrophobicContact CE2-CB 3.44Å; F132-A220 VanDerWaalsContact CE2-CB 3.44Å; F132-A220 HydrophobicContact CG-CB 3.9Å; F132-A220 HydrophobicContact CZ-CB 3.87Å
133H86.4Confident87.3Confident69 Ų6957 Ų5732%0.31931%0.313SS..  trans-101.1160.1177.6-63.3-77.5000112.3T131 Q135 Y137 N155 T157T131-H133 PolarHBondContact O-NE2 2.88Å; H133-Q135 VanDerWaalsContact C-N 3.25Å; H133-Q135 PolarHBondContact O-N 2.88Å; H133-Q135 VanDerWaalsContact O-N 3.12Å; H133-Y137 WeakPolarHBondContact O-CE1 3.45Å; H133-Y137 PolarHBondContact O-OH 2.79Å; H133-Y137 VanDerWaalsContact O-OH 3.04Å; H133-N155 PolarHBondContact N-O 2.82Å; H133-T157 PolarHBondContact NE2-OG1 3.07Å
134N84.6Confident87.4Confident149 Ų14960.3 Ų60.380%0.79733%0.327SS*.SBendtrans56.926170.6-53.2-44.3000116.4
135Q81.2Confident87.5Confident102 Ų10258.2 Ų58.248%0.47732%0.316SS..PPolyproline II helixtrans-66154172.2-69.2-166.19.800112.6F132 H133 Y137 A220F132-Q135 HydrophobicContact CB-CG 4.22Å; H133-Q135 VanDerWaalsContact C-N 3.25Å; H133-Q135 PolarHBondContact O-N 2.88Å; H133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-Y137 HydrophobicContact CG-CE2 4.38Å; Q135-A220 VanDerWaalsContact NE2-CB 3.31Å
136P85Confident87.3Confident123 Ų12360.6 Ų60.680%0.79933%0.332SS*.SBendcis-80.7146-4.533.2-34.8000112.3
137Y89.5Confident87.1Confident10 Ų1062 Ų624%0.03934%0.341CS..EExtended strand (participates in β ladder)trans-84.3131.4-179.4-56.5-53.4000111.9F132 H133 Q135 F152 V154 N155 A220 A223F132-Y137 AromaticContact CD1-CE2 3.95Å; F132-Y137 HydrophobicContact CD1-CE2 3.95Å; F132-Y137 WeakPolarHBondContact CD1-OH 3.43Å; F132-Y137 HydrophobicContact CE1-CE2 4.3Å; F132-Y137 HydrophobicContact CG-CE2 4.38Å; H133-Y137 WeakPolarHBondContact O-CE1 3.45Å; H133-Y137 PolarHBondContact O-OH 2.79Å; H133-Y137 VanDerWaalsContact O-OH 3.04Å; Q135-Y137 HydrophobicContact CG-CE2 4.38Å; Y137-F152 AromaticContact CD1-CE1 3.56Å; Y137-F152 HydrophobicContact CD1-CE1 3.56Å; Y137-F152 AromaticContact CD1-CZ 3.83Å; Y137-F152 HydrophobicContact CD1-CZ 3.83Å; Y137-F152 HydrophobicContact CE1-CE1 4.23Å; Y137-F152 AromaticContact CG-CE1 3.79Å; Y137-F152 HydrophobicContact CG-CE1 3.79Å; Y137-F152 HydrophobicContact CG-CZ 4.25Å; Y137-V154 HydrophobicContact CD2-CG1 3.73Å; Y137-V154 HydrophobicContact CE1-CG1 4.39Å; Y137-V154 HydrophobicContact CE2-CB 3.96Å; Y137-V154 HydrophobicContact CE2-CG1 3.49Å; Y137-V154 VanDerWaalsContact CE2-CG1 3.49Å; Y137-V154 HydrophobicContact CG-CG1 4.27Å; Y137-N155 PolarHBondContact OH-N 3.13Å; Y137-N155 PolarHBondContact OH-O 2.6Å; Y137-A220 HydrophobicContact CD2-CB 3.97Å; Y137-A220 HydrophobicContact CE2-CB 3.69Å; Y137-A223 PolarHBondContact O-N 3.01Å
138S90.3Very high86.9Confident61 Ų6159.2 Ų59.243%0.42734%0.338SS..EExtended strand (participates in β ladder)trans-153.9148.3170.5-173.60000111.8A223S138-A223 WeakPolarHBondContact CA-O 3.02Å; S138-A223 WeakPolarHBondContact CB-O 3.32Å; S138-A223 PolarHBondContact OG-O 2.94Å
139V92.6Very high86.9Confident27 Ų2759 Ų5916%0.16434%0.339CS..EExtended strand (participates in β ladder)trans-140.1154.1176.166.80000110.2I141 F152 A223 I224 I225V139-I141 HydrophobicContact CG2-CG2 4.1Å; V139-F152 HydrophobicContact CB-CD2 3.86Å; V139-F152 HydrophobicContact CB-CE2 4.46Å; V139-F152 HydrophobicContact CG1-CD2 4.45Å; V139-F152 HydrophobicContact CG2-CD2 4.36Å; V139-A223 PolarHBondContact N-O 3.31Å; V139-A223 VanDerWaalsContact N-O 3.08Å; V139-I224 HydrophobicContact CG1-CB 4.27Å; V139-I224 HydrophobicContact CG1-CG1 4.03Å; V139-I224 HydrophobicContact CG1-CG2 4.07Å; V139-I225 PolarHBondContact O-N 2.8Å
140R91.5Very high87Confident166 Ų16661.5 Ų61.563%0.62635%0.352SS*.EExtended strand (participates in β ladder)trans-116130.9169.4-59.3-175.167.497.70.8109.3I225R140-I225 VanDerWaalsContact CA-O 3.29Å; R140-I225 WeakPolarHBondContact CA-O 3.06Å; R140-I225 HydrophobicContact CG-CB 4.22Å
141I92.1Very high86.9Confident12 Ų1262.7 Ų62.76%0.06236%0.358CS..EExtended strand (participates in β ladder)trans-137145178.461.8-179.6000109.9V139 I151 F178 V189 L193 I224 I225 I226 T227V139-I141 HydrophobicContact CG2-CG2 4.1Å; I141-I151 HydrophobicContact CD1-CD1 3.93Å; I141-I151 HydrophobicContact CD1-CG2 4.13Å; I141-I151 HydrophobicContact CG2-CB 4.08Å; I141-I151 HydrophobicContact CG2-CG2 3.86Å; I141-F178 HydrophobicContact CD1-CE1 4.08Å; I141-V189 HydrophobicContact CD1-CG2 4.31Å; I141-L193 HydrophobicContact CD1-CD1 3.57Å; I141-L193 HydrophobicContact CG1-CD1 4.36Å; I141-I224 HydrophobicContact CD1-CG2 3.7Å; I141-I224 HydrophobicContact CG1-CG2 4.03Å; I141-I225 PolarHBondContact N-O 3.12Å; I141-I226 HydrophobicContact CD1-CD1 3.96Å; I141-I226 HydrophobicContact CG1-CD1 3.74Å; I141-I226 CarbonylContact O-C 3.59Å; I141-I226 VanDerWaalsContact O-CA 3.3Å; I141-I226 WeakPolarHBondContact O-CA 3.42Å; I141-T227 PolarHBondContact O-N 2.81Å; I141-T227 PolarHBondContact O-OG1 2.89Å
142P89.2Confident87Confident46 Ų4661.3 Ų61.330%0.29935%0.346SS..EExtended strand (participates in β ladder)trans-68.7156.4168.832.2-34.9000110.2T145 T227 M229P142-T145 WeakPolarHBondContact CD-OG1 3.3Å; P142-T145 WeakPolarHBondContact O-CB 3.29Å; P142-T145 PolarHBondContact O-N 2.91Å; P142-T145 PolarHBondContact O-OG1 3.01Å; P142-T227 WeakPolarHBondContact CA-O 3.29Å; P142-T227 WeakPolarHBondContact CA-OG1 3.21Å; P142-M229 HydrophobicContact CB-CG 4.04Å; P142-M229 HydrophobicContact CB-SD 3.93Å
143E89.2Confident86.9Confident8 Ų865.5 Ų65.54%0.03737%0.368CS..THydrogen-bonded Turntrans-67.1-39.5179.568.3-151.596.200113.1T145 L193 Y195 I226 D228 M229E143-T145 PolarHBondContact O-N 3.13Å; E143-L193 HydrophobicContact CB-CB 4.27Å; E143-L193 WeakPolarHBondContact CB-O 3.49Å; E143-L193 WeakPolarHBondContact O-CB 3.32Å; E143-Y195 VanDerWaalsContact CD-CB 3.45Å; E143-Y195 VanDerWaalsContact OE1-CB 3.27Å; E143-Y195 WeakPolarHBondContact OE1-CB 3.29Å; E143-Y195 WeakPolarHBondContact OE2-CA 3.28Å; E143-Y195 WeakPolarHBondContact OE2-CB 3.4Å; E143-Y195 PolarHBondContact OE2-N 3.15Å; E143-I226 HydrophobicContact CB-CG2 3.6Å; E143-D228 WeakPolarHBondContact OE1-CA 3.08Å; E143-D228 PolarHBondContact OE1-N 3.36Å; E143-M229 HydrophobicContact CG-CB 4.15Å; E143-M229 HydrophobicContact CG-CG 4.12Å; E143-M229 PolarHBondContact OE1-N 2.95Å
144N85Confident87Confident86 Ų8662.2 Ų62.246%0.4635%0.353SS..THydrogen-bonded Turntrans-68.218.3173.175.80.6000114.7P146 M229N144-P146 WeakPolarHBondContact O-CD 3.46Å; N144-M229 HydrophobicContact CB-CG 4.45Å
145T86.3Confident87.1Confident14 Ų1459.1 Ų59.19%0.08634%0.336CS..  trans-60.8114.3169.3-66.90000109.2P142 E143 V147 T149 I151 V189P142-T145 WeakPolarHBondContact CD-OG1 3.3Å; P142-T145 WeakPolarHBondContact O-CB 3.29Å; P142-T145 PolarHBondContact O-N 2.91Å; P142-T145 PolarHBondContact O-OG1 3.01Å; E143-T145 PolarHBondContact O-N 3.13Å; T145-V147 PolarHBondContact O-N 3.01Å; T145-T149 HydrophobicContact CG2-CG2 3.83Å; T145-I151 HydrophobicContact CG2-CG2 4.19Å; T145-V189 HydrophobicContact CG2-CG2 3.78Å
146P79.1Confident87.4Confident90 Ų9054.5 Ų54.558%0.58432%0.315SS*.  trans-61.7139.6-173-25.735.9000112.9N144 G148 T149N144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-G148 PolarHBondContact O-N 2.8Å; P146-T149 WeakPolarHBondContact O-CB 3.35Å; P146-T149 PolarHBondContact O-N 3.06Å; P146-T149 PolarHBondContact O-OG1 2.87Å
147V79.5Confident87.5Confident49 Ų4952 Ų5230%0.29730%0.297SS..THydrogen-bonded Turntrans-54.6132.5175.1173.10000110.9T145 V189 I190 E192T145-V147 PolarHBondContact O-N 3.01Å; V147-V189 HydrophobicContact CG2-CG1 4.5Å; V147-I190 VanDerWaalsContact CG1-O 3.23Å; V147-I190 WeakPolarHBondContact CG1-O 3.22Å; V147-E192 HydrophobicContact CG2-CG 3.64Å
148G80.6Confident87.4Confident50 Ų5052.2 Ų52.252%0.51530%0.3SS..THydrogen-bonded Turntrans95.8-9-171.300000114.6P146 V189P146-G148 PolarHBondContact O-N 2.8Å; G148-V189 WeakPolarHBondContact CA-O 3.21Å; G148-V189 PolarHBondContact N-O 2.93Å
149T84.3Confident87.1Confident47 Ų4752.4 Ų52.429%0.28830%0.299SS..  trans-67.9128.3178.8-59.90000111.5T145 P146 I151 T188 V189T145-T149 HydrophobicContact CG2-CG2 3.83Å; P146-T149 WeakPolarHBondContact O-CB 3.35Å; P146-T149 PolarHBondContact O-N 3.06Å; P146-T149 PolarHBondContact O-OG1 2.87Å; T149-I151 HydrophobicContact CG2-CG2 4.34Å; T149-T188 WeakPolarHBondContact O-CA 3.39Å; T149-V189 PolarHBondContact O-N 2.8Å
150P89.1Confident86.8Confident86 Ų8651.4 Ų51.456%0.55829%0.293SS*.EExtended strand (participates in β ladder)trans-76.9124.6169.731-32.5000110.4I186 V187 T188P150-I186 HydrophobicContact CB-CG2 3.81Å; P150-V187 CarbonylContact C-O 3.51Å; P150-V187 WeakPolarHBondContact CA-O 3.32Å; P150-T188 HydrophobicContact CB-CG2 4.07Å
151I90Very high86.2Confident24 Ų2448.5 Ų48.512%0.12329%0.29CS..EExtended strand (participates in β ladder)trans-111.1-27.4-171.357.5167000113.6I141 T145 T149 F178 V187 V189 I224I141-I151 HydrophobicContact CD1-CD1 3.93Å; I141-I151 HydrophobicContact CD1-CG2 4.13Å; I141-I151 HydrophobicContact CG2-CB 4.08Å; I141-I151 HydrophobicContact CG2-CG2 3.86Å; T145-I151 HydrophobicContact CG2-CG2 4.19Å; T149-I151 HydrophobicContact CG2-CG2 4.34Å; I151-F178 HydrophobicContact CD1-CD1 3.57Å; I151-F178 HydrophobicContact CD1-CE1 3.57Å; I151-V187 HydrophobicContact CD1-CG1 4.02Å; I151-V187 HydrophobicContact CG1-CB 4.27Å; I151-V187 HydrophobicContact CG1-CG1 3.93Å; I151-V187 WeakPolarHBondContact CG1-O 3.35Å; I151-V187 PolarHBondContact N-O 2.88Å; I151-V189 HydrophobicContact CD1-CG2 4.34Å; I151-V189 HydrophobicContact CG2-CG2 3.69Å; I151-I224 HydrophobicContact CD1-CD1 3.79Å; I151-I224 HydrophobicContact CD1-CG1 4.38Å; I151-I224 HydrophobicContact CD1-CG2 4.29Å
152F90.3Very high85.7Confident52 Ų5251 Ų5123%0.22832%0.318CS..EExtended strand (participates in β ladder)trans-152.7165.4-178.3-156.1-103.6000111.3Y137 V139 V154 V187 L222Y137-F152 AromaticContact CD1-CE1 3.56Å; Y137-F152 HydrophobicContact CD1-CE1 3.56Å; Y137-F152 AromaticContact CD1-CZ 3.83Å; Y137-F152 HydrophobicContact CD1-CZ 3.83Å; Y137-F152 HydrophobicContact CE1-CE1 4.23Å; Y137-F152 AromaticContact CG-CE1 3.79Å; Y137-F152 HydrophobicContact CG-CE1 3.79Å; Y137-F152 HydrophobicContact CG-CZ 4.25Å; V139-F152 HydrophobicContact CB-CD2 3.86Å; V139-F152 HydrophobicContact CB-CE2 4.46Å; V139-F152 HydrophobicContact CG1-CD2 4.45Å; V139-F152 HydrophobicContact CG2-CD2 4.36Å; F152-V154 HydrophobicContact CD1-CG1 4.15Å; F152-V154 HydrophobicContact CE1-CG1 4.23Å; F152-V187 HydrophobicContact CB-CB 4.26Å; F152-V187 PolarHBondContact O-N 2.99Å; F152-L222 HydrophobicContact CD1-CD1 3.81Å; F152-L222 HydrophobicContact CE1-CD1 4.12Å; F152-L222 HydrophobicContact CG-CD1 4.06Å
153I89.2Confident85Confident104 Ų10450.8 Ų50.853%0.53332%0.32SS..EExtended strand (participates in β ladder)trans-137.2124.8169.3-171.1173.3000109.5G185 I186I153-G185 WeakPolarHBondContact CA-O 3.26Å; I153-I186 HydrophobicContact CD1-CG1 3.86Å; I153-I186 HydrophobicContact CG1-CG1 4.04Å
154V88.1Confident84.4Confident1 Ų150.6 Ų50.61%0.00632%0.32CS..  trans-92.8155.2169.9-64.90000110.2F132 Y137 F152 Y169 I180 G185 V205F132-V154 HydrophobicContact CE1-CB 4.23Å; F132-V154 HydrophobicContact CE1-CG2 4.4Å; Y137-V154 HydrophobicContact CD2-CG1 3.73Å; Y137-V154 HydrophobicContact CE1-CG1 4.39Å; Y137-V154 HydrophobicContact CE2-CB 3.96Å; Y137-V154 HydrophobicContact CE2-CG1 3.49Å; Y137-V154 VanDerWaalsContact CE2-CG1 3.49Å; Y137-V154 HydrophobicContact CG-CG1 4.27Å; F152-V154 HydrophobicContact CD1-CG1 4.15Å; F152-V154 HydrophobicContact CE1-CG1 4.23Å; V154-Y169 HydrophobicContact CG2-CD1 3.68Å; V154-Y169 HydrophobicContact CG2-CE1 3.98Å; V154-Y169 HydrophobicContact CG2-CG 4.23Å; V154-I180 HydrophobicContact CG2-CD1 3.76Å; V154-G185 WeakPolarHBondContact CG2-O 3.42Å; V154-G185 PolarHBondContact N-O 2.93Å; V154-V205 HydrophobicContact CG1-CG1 4.44Å; V154-V205 HydrophobicContact CG1-CG2 4.18Å; V154-V205 HydrophobicContact CG2-CG1 4Å
155N86.7Confident84.1Confident84 Ų8447.8 Ų47.845%0.44931%0.312SS..  trans-145.2130.3175.8-171.633.2000110.6F132 H133 Y137F132-N155 WeakPolarHBondContact CA-O 3.37Å; H133-N155 PolarHBondContact N-O 2.82Å; Y137-N155 PolarHBondContact OH-N 3.13Å; Y137-N155 PolarHBondContact OH-O 2.6Å
156A88.4Confident84Confident5 Ų549.4 Ų49.44%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-130.1154.4171.200000109.8P130 T131 F132 V167 Y169 A207P130-A156 HydrophobicContact CB-CB 4.32Å; T131-A156 VanDerWaalsContact O-CA 3.23Å; T131-A156 WeakPolarHBondContact O-CA 3.43Å; F132-A156 HydrophobicContact CB-CB 4.49Å; F132-A156 HydrophobicContact CD1-CB 3.64Å; F132-A156 HydrophobicContact CE1-CB 4.1Å; F132-A156 HydrophobicContact CG-CB 4.01Å; A156-V167 HydrophobicContact CB-CG1 4.22Å; A156-Y169 HydrophobicContact CB-CE1 4.02Å; A156-Y169 PolarHBondContact N-OH 3.02Å; A156-Y169 PolarHBondContact O-OH 2.87Å; A156-A207 HydrophobicContact CB-CB 3.96Å
157T86.5Confident84.3Confident69 Ų6946.1 Ų46.142%0.42330%0.302SS..EExtended strand (participates in β ladder)trans-131.9135.2173.855.30000108.8T131 H133T131-T157 PolarHBondContact N-O 3.48Å; T131-T157 PolarHBondContact O-N 3.01Å; H133-T157 PolarHBondContact NE2-OG1 3.07Å
158D86.9Confident84.7Confident16 Ų1646.8 Ų46.89%0.08630%0.304CS..  trans-103.8140.4167.2-161.1-77.3000109.4A129 P130 D160 G164 V167A129-D158 WeakPolarHBondContact CA-OD2 3.33Å; A129-D158 PolarHBondContact N-OD2 3.28Å; P130-D158 WeakPolarHBondContact CA-OD2 3.21Å; P130-D158 VanDerWaalsContact CD-OD2 3.29Å; P130-D158 WeakPolarHBondContact CD-OD2 3.28Å; P130-D158 HydrophobicContact CG-CB 4.28Å; D158-D160 WeakPolarHBondContact OD1-CB 3.48Å; D158-D160 PolarHBondContact OD1-N 3.28Å; D158-G164 WeakPolarHBondContact CB-O 3.36Å; D158-V167 HydrophobicContact CB-CG2 4.03Å
159P85Confident85.1Confident64 Ų6445.1 Ų45.142%0.41628%0.282SS..  trans-84.9-13.1-179.336.2-38.7000114.9R95 E96 N128R95-P159 PolarHBondContact NH2-O 2.74Å; R95-P159 VanDerWaalsContact NH2-O 3.12Å; E96-P159 HydrophobicContact CG-CB 3.83Å; E96-P159 HydrophobicContact CG-CG 4.01Å; N128-P159 HydrophobicContact CB-CG 3.51Å
160D86.3Confident85.3Confident6 Ų645.2 Ų45.23%0.03228%0.284CS..SBendtrans-71.8171.1-177.4-62.1-1.9000110.5N126 D127 N128 D158 G165N126-D160 WeakPolarHBondContact CA-OD2 3.44Å; D127-D160 PolarHBondContact N-OD2 3.42Å; N128-D160 WeakPolarHBondContact CB-OD1 3.33Å; N128-D160 PolarHBondContact N-OD2 2.87Å; N128-D160 PolarHBondContact ND2-OD1 3.33Å; D158-D160 WeakPolarHBondContact OD1-CB 3.48Å; D158-D160 PolarHBondContact OD1-N 3.28Å; D160-G165 WeakPolarHBondContact O-CA 3.18Å; D160-G165 PolarHBondContact O-N 2.82Å
161L79.1Confident85.3Confident106 Ų10641.9 Ų41.956%0.55526%0.261SS*.  trans-96.1162.9-179.1-76.3175.3000115R95 D124 A163 G164 G165R95-L161 VanDerWaalsContact NH1-CG 3.26Å; D124-L161 VanDerWaalsContact OD1-CB 3.23Å; D124-L161 WeakPolarHBondContact OD1-CB 3.44Å; D124-L161 WeakPolarHBondContact OD1-CG 3.3Å; D124-L161 PolarHBondContact OD1-N 3.2Å; D124-L161 PolarHBondContact OD2-N 3.24Å; L161-A163 PolarHBondContact O-N 3.28Å; L161-G164 PolarHBondContact O-N 2.83Å; L161-G165 PolarHBondContact O-N 2.82Å
162G80.6Confident84.7Confident65 Ų6545.6 Ų45.667%0.6728%0.278SS*.THydrogen-bonded Turntrans61.1-110.116800000112S166G162-S166 VanDerWaalsContact O-CB 3.26Å; G162-S166 WeakPolarHBondContact O-CB 3.15Å
163A75.5Confident84.5Confident41 Ų4148.2 Ų48.234%0.33930%0.3SS..THydrogen-bonded Turntrans-76.6-34.1179.100000112.6L161 S166 Q210L161-A163 PolarHBondContact O-N 3.28Å; A163-S166 PolarHBondContact O-N 3.13Å; A163-Q210 HydrophobicContact CB-CB 4.32Å; A163-Q210 WeakPolarHBondContact O-CA 3.46Å; A163-Q210 WeakPolarHBondContact O-CB 3.11Å; A163-Q210 PolarHBondContact O-N 3.18Å
164G76.1Confident84.1Confident3 Ų348.5 Ų48.53%0.03131%0.309CS..THydrogen-bonded Turntrans-66.1-47.5176.400000112.6N126 D158 L161 S166 D209N126-G164 WeakPolarHBondContact OD1-CA 3.42Å; D158-G164 WeakPolarHBondContact CB-O 3.36Å; L161-G164 PolarHBondContact O-N 2.83Å; G164-S166 PolarHBondContact O-N 2.86Å; G164-D209 WeakPolarHBondContact O-CB 3.32Å
165G79.3Confident83.8Confident28 Ų2849.4 Ų49.429%0.28932%0.315SS..THydrogen-bonded Turntrans-61.4-10.1173.400000115.9D160 L161D160-G165 WeakPolarHBondContact O-CA 3.18Å; D160-G165 PolarHBondContact O-N 2.82Å; L161-G165 PolarHBondContact O-N 2.82Å
166S82.5Confident83.6Confident48 Ų4849.3 Ų49.334%0.33632%0.319SS..  trans-105.886.1-164.3-174.50000112.8G162 A163 G164 Q210G162-S166 VanDerWaalsContact O-CB 3.26Å; G162-S166 WeakPolarHBondContact O-CB 3.15Å; A163-S166 PolarHBondContact O-N 3.13Å; G164-S166 PolarHBondContact O-N 2.86Å; S166-Q210 VanDerWaalsContact O-CG 3.29Å; S166-Q210 WeakPolarHBondContact O-CG 3.33Å; S166-Q210 PolarHBondContact O-N 2.93Å; S166-Q210 PolarHBondContact O-NE2 2.78Å; S166-Q210 PolarHBondContact OG-NE2 2.8Å
167V85.9Confident83.5Confident21 Ų2151.3 Ų51.313%0.12733%0.327CS..  trans-68.6137.6-175.3-170.30000113.8P130 A156 D158 Y169 A207 T208P130-V167 HydrophobicContact CB-CG1 3.9Å; P130-V167 HydrophobicContact CB-CG2 3.81Å; P130-V167 HydrophobicContact CG-CG1 4.27Å; P130-V167 HydrophobicContact CG-CG2 4.08Å; A156-V167 HydrophobicContact CB-CG1 4.22Å; D158-V167 HydrophobicContact CB-CG2 4.03Å; V167-Y169 HydrophobicContact CG1-CE1 4.14Å; V167-A207 HydrophobicContact CG1-CB 3.71Å; V167-T208 CarbonylContact C-O 3.52Å; V167-T208 WeakPolarHBondContact CA-O 3.07Å
168L87.5Confident83.6Confident63 Ų6348 Ų4833%0.3331%0.307SS..EExtended strand (participates in β ladder)trans-115.4143.6163.4-66176.3000111.9S182 A207 T208 Q210L168-S182 CarbonylContact C-O 3.31Å; L168-S182 VanDerWaalsContact CA-O 3.29Å; L168-S182 WeakPolarHBondContact CA-O 3.32Å; L168-S182 WeakPolarHBondContact CD2-O 3.46Å; L168-A207 WeakPolarHBondContact O-CA 3.31Å; L168-T208 PolarHBondContact N-O 2.64Å; L168-T208 PolarHBondContact O-N 3.37Å; L168-Q210 HydrophobicContact CD1-CG 3.62Å; L168-Q210 HydrophobicContact CG-CG 3.77Å
169Y89Confident83.6Confident15 Ų1548.9 Ų48.96%0.05932%0.316CS..EExtended strand (participates in β ladder)trans-104.9142.9179.4-54-82.8000112.3F132 V154 A156 V167 I180 S182 N206 A207F132-Y169 HydrophobicContact CE1-CD1 4.09Å; F132-Y169 AromaticContact CE1-CE1 3.95Å; F132-Y169 HydrophobicContact CE1-CE1 3.95Å; V154-Y169 HydrophobicContact CG2-CD1 3.68Å; V154-Y169 HydrophobicContact CG2-CE1 3.98Å; V154-Y169 HydrophobicContact CG2-CG 4.23Å; A156-Y169 HydrophobicContact CB-CE1 4.02Å; A156-Y169 PolarHBondContact N-OH 3.02Å; A156-Y169 PolarHBondContact O-OH 2.87Å; V167-Y169 HydrophobicContact CG1-CE1 4.14Å; Y169-I180 HydrophobicContact CG-CD1 4.5Å; Y169-S182 WeakPolarHBondContact CD2-O 3.3Å; Y169-S182 PolarHBondContact N-O 2.57Å; Y169-S182 WeakPolarHBondContact O-CA 3.31Å; Y169-S182 WeakPolarHBondContact O-CB 2.98Å; Y169-N206 WeakPolarHBondContact CA-O 3.35Å; Y169-A207 HydrophobicContact CD1-CB 4.22Å; Y169-A207 HydrophobicContact CE1-CB 4.27Å
170S88.7Confident83.7Confident48 Ų4847.1 Ų47.134%0.33630%0.303SS..EExtended strand (participates in β ladder)trans-151164.5172.656.20000111.6V205 N206S170-V205 CarbonylContact O-C 3.52Å; S170-V205 WeakPolarHBondContact O-CA 3.24Å; S170-N206 PolarHBondContact N-O 3.35Å; S170-N206 PolarHBondContact O-N 3.15Å
171F89.6Confident83.7Confident17 Ų1749.1 Ų49.18%0.07531%0.313CS..EExtended strand (participates in β ladder)trans-96.2136.8167.9-75.7-54.2000110.6P173 F178 I180 V187 L203 T204 V205 L222F171-P173 VanDerWaalsContact C-C 3.49Å; F171-P173 CarbonylContact C-O 3.54Å; F171-P173 VanDerWaalsContact C-O 3.28Å; F171-P173 CarbonylContact O-C 3.54Å; F171-P173 VanDerWaalsContact O-C 3.28Å; F171-F178 WeakPolarHBondContact CD2-O 3.47Å; F171-F178 HydrophobicContact CE2-CB 3.95Å; F171-F178 WeakPolarHBondContact CE2-O 3.48Å; F171-F178 HydrophobicContact CZ-CB 4.36Å; F171-I180 HydrophobicContact CD2-CB 4.06Å; F171-I180 HydrophobicContact CD2-CG2 3.72Å; F171-I180 HydrophobicContact CE2-CB 3.75Å; F171-I180 HydrophobicContact CE2-CG2 3.97Å; F171-I180 HydrophobicContact CG-CG2 4.14Å; F171-I180 HydrophobicContact CZ-CB 4.18Å; F171-V187 HydrophobicContact CE2-CG1 4.17Å; F171-V187 HydrophobicContact CZ-CB 4.42Å; F171-V187 HydrophobicContact CZ-CG1 3.72Å; F171-V187 HydrophobicContact CZ-CG2 3.82Å; F171-L203 HydrophobicContact CD1-CB 3.89Å; F171-L203 HydrophobicContact CD1-CD1 4.1Å; F171-L203 HydrophobicContact CE1-CB 3.7Å; F171-L203 HydrophobicContact CE1-CD1 3.49Å; F171-L203 VanDerWaalsContact CE1-CD1 3.49Å; F171-L203 HydrophobicContact CE1-CG 4.24Å; F171-L203 HydrophobicContact CE2-CD1 4.07Å; F171-L203 HydrophobicContact CZ-CD1 3.48Å; F171-L203 VanDerWaalsContact CZ-CD1 3.48Å; F171-T204 WeakPolarHBondContact CA-O 3.12Å; F171-V205 HydrophobicContact CD1-CG2 4.02Å; F171-V205 HydrophobicContact CE1-CG2 3.66Å; F171-L222 HydrophobicContact CE1-CD2 4.25Å; F171-L222 HydrophobicContact CZ-CD2 4.35Å
172Q78.3Confident83.9Confident102 Ų10245.5 Ų45.548%0.47730%0.297SS..SBendtrans-130.7105.3-179.8-169.2172.81.900111.6T204 N206Q172-T204 PolarHBondContact N-O 3.43Å; Q172-T204 VanDerWaalsContact O-CB 3.23Å; Q172-T204 WeakPolarHBondContact O-CB 3.46Å; Q172-T204 PolarHBondContact O-OG1 2.95Å; Q172-N206 HydrophobicContact CB-CB 4.39Å
173P84.3Confident83.8Confident106 Ų10645.7 Ų45.769%0.68829%0.292SS*.SBendcis-66.1165.6-7.531.9-37.2000112.4F171F171-P173 VanDerWaalsContact C-C 3.49Å; F171-P173 CarbonylContact C-O 3.54Å; F171-P173 VanDerWaalsContact C-O 3.28Å; F171-P173 CarbonylContact O-C 3.54Å; F171-P173 VanDerWaalsContact O-C 3.28Å
174P81Confident84.1Confident111 Ų11151.3 Ų51.372%0.72130%0.304SS*.PPolyproline II helixtrans-53144.5167.8-25.535.3000111.7
175S82.6Confident84.5Confident19 Ų1951.1 Ų51.113%0.13330%0.303CS..PPolyproline II helixtrans-102.4133177.1-173.80000110.4F177 F178S175-F177 VanDerWaalsContact C-N 3.26Å; S175-F177 PolarHBondContact O-N 2.75Å; S175-F177 PolarHBondContact OG-N 2.91Å; S175-F178 WeakPolarHBondContact CB-O 3.27Å; S175-F178 PolarHBondContact OG-N 2.97Å
176P82.5Confident84.9Confident83 Ų8352.3 Ų52.354%0.53930%0.302SS..SBendtrans-72.2-22.1172.928.2-32.2000112.5I190P176-I190 VanDerWaalsContact O-CD1 3.31Å; P176-I190 WeakPolarHBondContact O-CD1 3.29Å; P176-I190 WeakPolarHBondContact O-CG1 3.38Å
177F85.4Confident85.3Confident46 Ų4650 Ų5020%0.20229%0.286CS..SBendtrans-92.3-24.1-178.4-64.6-84.2000113.9S175 I190 Q191 L193 Y201S175-F177 VanDerWaalsContact C-N 3.26Å; S175-F177 PolarHBondContact O-N 2.75Å; S175-F177 PolarHBondContact OG-N 2.91Å; F177-I190 VanDerWaalsContact C-CG1 3.41Å; F177-I190 WeakPolarHBondContact O-CG1 3.27Å; F177-I190 PolarHBondContact O-N 3.04Å; F177-Q191 HydrophobicContact CD1-CB 3.85Å; F177-Q191 HydrophobicContact CD1-CG 4.02Å; F177-Q191 HydrophobicContact CE1-CB 4.41Å; F177-Q191 HydrophobicContact CE1-CG 4.07Å; F177-L193 HydrophobicContact CB-CD2 4.02Å; F177-L193 HydrophobicContact CD1-CD2 3.87Å; F177-L193 HydrophobicContact CG-CD2 4.28Å; F177-Y201 HydrophobicContact CB-CE1 4.23Å; F177-Y201 WeakPolarHBondContact CD1-OH 3.28Å; F177-Y201 HydrophobicContact CD2-CD1 4.3Å; F177-Y201 AromaticContact CD2-CE1 3.35Å; F177-Y201 HydrophobicContact CD2-CE1 3.35Å; F177-Y201 AromaticContact CD2-CZ 3.84Å; F177-Y201 WeakPolarHBondContact CE1-OH 3.17Å; F177-Y201 AromaticContact CE2-CE1 3.76Å; F177-Y201 HydrophobicContact CE2-CE1 3.76Å; F177-Y201 AromaticContact CG-CE1 3.8Å; F177-Y201 HydrophobicContact CG-CE1 3.8Å; F177-Y201 AromaticContact CG-CZ 3.86Å; F177-Y201 HydrophobicContact CZ-CE1 4.5Å
178F89.3Confident85.4Confident1 Ų150.7 Ų50.70%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-136129.9-174.1-53.1-82.7000113.1I141 I151 F171 S175 V187 T188 V189 L193 Y201 L203 I224I141-F178 HydrophobicContact CD1-CE1 4.08Å; I151-F178 HydrophobicContact CD1-CD1 3.57Å; I151-F178 HydrophobicContact CD1-CE1 3.57Å; F171-F178 WeakPolarHBondContact CD2-O 3.47Å; F171-F178 HydrophobicContact CE2-CB 3.95Å; F171-F178 WeakPolarHBondContact CE2-O 3.48Å; F171-F178 HydrophobicContact CZ-CB 4.36Å; S175-F178 WeakPolarHBondContact CB-O 3.27Å; S175-F178 PolarHBondContact OG-N 2.97Å; F178-V187 HydrophobicContact CB-CG1 4.19Å; F178-T188 CarbonylContact C-O 3.24Å; F178-T188 VanDerWaalsContact CA-O 3.26Å; F178-T188 WeakPolarHBondContact CA-O 3.32Å; F178-V189 HydrophobicContact CD1-CG2 4.28Å; F178-V189 HydrophobicContact CE1-CG2 4.01Å; F178-L193 HydrophobicContact CE1-CD1 4.15Å; F178-L193 HydrophobicContact CE1-CD2 4.11Å; F178-L193 HydrophobicContact CE2-CD2 4.19Å; F178-L193 HydrophobicContact CZ-CD1 4.12Å; F178-L193 HydrophobicContact CZ-CD2 3.56Å; F178-Y201 HydrophobicContact CD2-CG 4.49Å; F178-Y201 AromaticContact CE2-CD1 3.96Å; F178-Y201 HydrophobicContact CE2-CD1 3.96Å; F178-Y201 AromaticContact CE2-CD2 3.54Å; F178-Y201 HydrophobicContact CE2-CD2 3.54Å; F178-Y201 HydrophobicContact CE2-CE1 4.28Å; F178-Y201 AromaticContact CE2-CE2 3.9Å; F178-Y201 HydrophobicContact CE2-CE2 3.9Å; F178-Y201 AromaticContact CE2-CG 3.56Å; F178-Y201 HydrophobicContact CE2-CG 3.56Å; F178-Y201 AromaticContact CZ-CD2 3.83Å; F178-Y201 HydrophobicContact CZ-CD2 3.83Å; F178-Y201 HydrophobicContact CZ-CE2 4.07Å; F178-Y201 HydrophobicContact CZ-CG 4.3Å; F178-L203 HydrophobicContact CB-CD1 3.89Å; F178-L203 HydrophobicContact CD2-CD1 3.8Å; F178-L203 HydrophobicContact CG-CD1 4.03Å; F178-I224 HydrophobicContact CD1-CD1 3.69Å; F178-I224 HydrophobicContact CD2-CD1 3.8Å; F178-I224 HydrophobicContact CE1-CD1 3.71Å; F178-I224 HydrophobicContact CE1-CG2 4.2Å; F178-I224 HydrophobicContact CE2-CD1 3.84Å; F178-I224 HydrophobicContact CG-CD1 3.74Å; F178-I224 HydrophobicContact CZ-CD1 3.79Å; F178-I224 HydrophobicContact CZ-CG2 3.98Å
179A86.7Confident85.5Confident33 Ų3347.7 Ų47.727%0.27327%0.274SS..EExtended strand (participates in β ladder)trans-100.7162.7169.600000111.1V187 T188 I190A179-V187 WeakPolarHBondContact O-CA 3.31Å; A179-T188 PolarHBondContact N-O 2.86Å; A179-T188 PolarHBondContact O-N 3.08Å; A179-I190 HydrophobicContact CB-CD1 4.25Å; A179-I190 HydrophobicContact CB-CG2 3.56Å
180I88Confident85.2Confident28 Ų2849.9 Ų49.914%0.14429%0.286CS..EExtended strand (participates in β ladder)trans-133.5130.9174.8-174.5166.4000110.2V154 Y169 F171 S182 I186 V187 V205V154-I180 HydrophobicContact CG2-CD1 3.76Å; Y169-I180 HydrophobicContact CG-CD1 4.5Å; F171-I180 HydrophobicContact CD2-CB 4.06Å; F171-I180 HydrophobicContact CD2-CG2 3.72Å; F171-I180 HydrophobicContact CE2-CB 3.75Å; F171-I180 HydrophobicContact CE2-CG2 3.97Å; F171-I180 HydrophobicContact CG-CG2 4.14Å; F171-I180 HydrophobicContact CZ-CB 4.18Å; I180-S182 PolarHBondContact O-N 3.46Å; I180-I186 CarbonylContact C-O 3.43Å; I180-I186 WeakPolarHBondContact CA-O 3.29Å; I180-V187 HydrophobicContact CB-CG2 4.44Å; I180-V187 HydrophobicContact CD1-CG2 4.08Å; I180-V187 HydrophobicContact CG1-CG2 4.2Å; I180-V205 HydrophobicContact CD1-CG1 3.93Å
181D85Confident84.9Confident47 Ų4752 Ų5225%0.25129%0.291SS..  trans-66.5112.5171.3-177.9-43.1000109A183 R184 G185 I186D181-A183 PolarHBondContact O-N 2.78Å; D181-A183 PolarHBondContact OD1-N 2.9Å; D181-R184 HydrophobicContact CB-CB 4.1Å; D181-R184 PolarHBondContact O-N 2.67Å; D181-R184 WeakPolarHBondContact OD1-CG 3.06Å; D181-R184 PolarHBondContact OD1-N 2.87Å; D181-R184 IonicContact OD1-NH1 3.72Å; D181-R184 VanDerWaalsContact OD2-CD 3.31Å; D181-R184 WeakPolarHBondContact OD2-CD 3.28Å; D181-R184 WeakPolarHBondContact OD2-CG 3.47Å; D181-R184 IonicContact OD2-CZ 2.71Å; D181-R184 IonicContact OD2-NE 3.5Å; D181-R184 IonicContact OD2-NH1 2.7Å; D181-R184 PolarHBondContact OD2-NH1 2.97Å; D181-G185 WeakPolarHBondContact O-CA 3.44Å; D181-G185 PolarHBondContact O-N 3.16Å; D181-I186 HydrophobicContact CB-CB 4.15Å; D181-I186 PolarHBondContact N-O 2.78Å
182S83.4Confident84.5Confident30 Ų3058.6 Ų58.621%0.2132%0.322CS..THydrogen-bonded Turntrans-65.4-19.6-172.256.60000114.4L168 Y169 I180L168-S182 CarbonylContact C-O 3.31Å; L168-S182 VanDerWaalsContact CA-O 3.29Å; L168-S182 WeakPolarHBondContact CA-O 3.32Å; L168-S182 WeakPolarHBondContact CD2-O 3.46Å; Y169-S182 WeakPolarHBondContact CD2-O 3.3Å; Y169-S182 PolarHBondContact N-O 2.57Å; Y169-S182 WeakPolarHBondContact O-CA 3.31Å; Y169-S182 WeakPolarHBondContact O-CB 2.98Å; I180-S182 PolarHBondContact O-N 3.46Å
183A78.1Confident84.9Confident69 Ų6954.4 Ų54.457%0.5730%0.303SS*.THydrogen-bonded Turntrans-102-23.8176.900000113.3D181D181-A183 PolarHBondContact O-N 2.78Å; D181-A183 PolarHBondContact OD1-N 2.9Å
184R82.5Confident84.9Confident159 Ų15952.7 Ų52.760%0.629%0.288SS*.THydrogen-bonded Turntrans-111.3-11.4-174.2-55.4-176.7-178.185.23.5115D181 I186D181-R184 HydrophobicContact CB-CB 4.1Å; D181-R184 PolarHBondContact O-N 2.67Å; D181-R184 WeakPolarHBondContact OD1-CG 3.06Å; D181-R184 PolarHBondContact OD1-N 2.87Å; D181-R184 IonicContact OD1-NH1 3.72Å; D181-R184 VanDerWaalsContact OD2-CD 3.31Å; D181-R184 WeakPolarHBondContact OD2-CD 3.28Å; D181-R184 WeakPolarHBondContact OD2-CG 3.47Å; D181-R184 IonicContact OD2-CZ 2.71Å; D181-R184 IonicContact OD2-NE 3.5Å; D181-R184 IonicContact OD2-NH1 2.7Å; D181-R184 PolarHBondContact OD2-NH1 2.97Å; R184-I186 HydrophobicContact CB-CD1 3.88Å; R184-I186 HydrophobicContact CB-CG1 3.9Å; R184-I186 PolarHBondContact O-N 3.12Å
185G84.3Confident85.1Confident0 Ų049.1 Ų49.10%026%0.26CS..  trans67.113.6-176.900000114.5I153 V154 D181I153-G185 WeakPolarHBondContact CA-O 3.26Å; V154-G185 WeakPolarHBondContact CG2-O 3.42Å; V154-G185 PolarHBondContact N-O 2.93Å; D181-G185 WeakPolarHBondContact O-CA 3.44Å; D181-G185 PolarHBondContact O-N 3.16Å
186I88.5Confident85.2Confident52 Ų5249.4 Ų49.427%0.26726%0.26SS..EExtended strand (participates in β ladder)trans-78.7123-178.9-60.5170.1000108.9P150 I153 I180 D181 R184 T188P150-I186 HydrophobicContact CB-CG2 3.81Å; I153-I186 HydrophobicContact CD1-CG1 3.86Å; I153-I186 HydrophobicContact CG1-CG1 4.04Å; I180-I186 CarbonylContact C-O 3.43Å; I180-I186 WeakPolarHBondContact CA-O 3.29Å; D181-I186 HydrophobicContact CB-CB 4.15Å; D181-I186 PolarHBondContact N-O 2.78Å; R184-I186 HydrophobicContact CB-CD1 3.88Å; R184-I186 HydrophobicContact CB-CG1 3.9Å; R184-I186 PolarHBondContact O-N 3.12Å; I186-T188 HydrophobicContact CG2-CG2 4.45Å
187V90.2Very high85.1Confident0 Ų050.7 Ų50.70%027%0.266CS..EExtended strand (participates in β ladder)trans-94.3130177.1-179.10000110P150 I151 F152 F171 F178 A179 I180 L222P150-V187 CarbonylContact C-O 3.51Å; P150-V187 WeakPolarHBondContact CA-O 3.32Å; I151-V187 HydrophobicContact CD1-CG1 4.02Å; I151-V187 HydrophobicContact CG1-CB 4.27Å; I151-V187 HydrophobicContact CG1-CG1 3.93Å; I151-V187 WeakPolarHBondContact CG1-O 3.35Å; I151-V187 PolarHBondContact N-O 2.88Å; F152-V187 HydrophobicContact CB-CB 4.26Å; F152-V187 PolarHBondContact O-N 2.99Å; F171-V187 HydrophobicContact CE2-CG1 4.17Å; F171-V187 HydrophobicContact CZ-CB 4.42Å; F171-V187 HydrophobicContact CZ-CG1 3.72Å; F171-V187 HydrophobicContact CZ-CG2 3.82Å; F178-V187 HydrophobicContact CB-CG1 4.19Å; A179-V187 WeakPolarHBondContact O-CA 3.31Å; I180-V187 HydrophobicContact CB-CG2 4.44Å; I180-V187 HydrophobicContact CD1-CG2 4.08Å; I180-V187 HydrophobicContact CG1-CG2 4.2Å; V187-L222 HydrophobicContact CG1-CD2 4.35Å; V187-L222 HydrophobicContact CG2-CD2 3.88Å
188T88.9Confident84.9Confident35 Ų3550.4 Ų50.422%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-123.5149.1178.950.20000111.9T149 P150 F178 A179 I186T149-T188 WeakPolarHBondContact O-CA 3.39Å; P150-T188 HydrophobicContact CB-CG2 4.07Å; F178-T188 CarbonylContact C-O 3.24Å; F178-T188 VanDerWaalsContact CA-O 3.26Å; F178-T188 WeakPolarHBondContact CA-O 3.32Å; A179-T188 PolarHBondContact N-O 2.86Å; A179-T188 PolarHBondContact O-N 3.08Å; I186-T188 HydrophobicContact CG2-CG2 4.45Å
189V88.4Confident84.7Confident0 Ų054.6 Ų54.60%029%0.288CS..EExtended strand (participates in β ladder)trans-72.7131.3167.1-176.30000109I141 T145 V147 G148 T149 I151 F178 Q191 L193I141-V189 HydrophobicContact CD1-CG2 4.31Å; T145-V189 HydrophobicContact CG2-CG2 3.78Å; V147-V189 HydrophobicContact CG2-CG1 4.5Å; G148-V189 WeakPolarHBondContact CA-O 3.21Å; G148-V189 PolarHBondContact N-O 2.93Å; T149-V189 PolarHBondContact O-N 2.8Å; I151-V189 HydrophobicContact CD1-CG2 4.34Å; I151-V189 HydrophobicContact CG2-CG2 3.69Å; F178-V189 HydrophobicContact CD1-CG2 4.28Å; F178-V189 HydrophobicContact CE1-CG2 4.01Å; V189-Q191 WeakPolarHBondContact CG1-O 3.39Å; V189-L193 HydrophobicContact CG1-CD1 4.04Å; V189-L193 HydrophobicContact CG1-CD2 4.44Å; V189-L193 HydrophobicContact CG1-CG 4.07Å; V189-L193 HydrophobicContact CG2-CD1 4.15Å
190I82.9Confident84.7Confident61 Ų6155.3 Ų55.331%0.31329%0.294SS..  trans-120.9-20.8178.454.7162.8000114.5V147 P176 F177 A179V147-I190 VanDerWaalsContact CG1-O 3.23Å; V147-I190 WeakPolarHBondContact CG1-O 3.22Å; P176-I190 VanDerWaalsContact O-CD1 3.31Å; P176-I190 WeakPolarHBondContact O-CD1 3.29Å; P176-I190 WeakPolarHBondContact O-CG1 3.38Å; F177-I190 VanDerWaalsContact C-CG1 3.41Å; F177-I190 WeakPolarHBondContact O-CG1 3.27Å; F177-I190 PolarHBondContact O-N 3.04Å; A179-I190 HydrophobicContact CB-CD1 4.25Å; A179-I190 HydrophobicContact CB-CG2 3.56Å
191Q81.9Confident84.8Confident92 Ų9255 Ų5543%0.4329%0.291SS..SBendtrans-123.6151.9171.2-173.2174.6-1.900108.8F177 V189F177-Q191 HydrophobicContact CD1-CB 3.85Å; F177-Q191 HydrophobicContact CD1-CG 4.02Å; F177-Q191 HydrophobicContact CE1-CB 4.41Å; F177-Q191 HydrophobicContact CE1-CG 4.07Å; V189-Q191 WeakPolarHBondContact CG1-O 3.39Å
192E81.5Confident85Confident157 Ų15759 Ų5973%0.73431%0.308SS*.  trans-61.4147.5175.3-67.6171.6170.800110.2V147V147-E192 HydrophobicContact CG2-CG 3.64Å
193L87.1Confident85.3Confident13 Ų1358.5 Ų58.57%0.06830%0.303CS..  trans-109.5146.9-173.2-53.7170.1000108.6I141 E143 F177 F178 V189 Y201 I226I141-L193 HydrophobicContact CD1-CD1 3.57Å; I141-L193 HydrophobicContact CG1-CD1 4.36Å; E143-L193 HydrophobicContact CB-CB 4.27Å; E143-L193 WeakPolarHBondContact CB-O 3.49Å; E143-L193 WeakPolarHBondContact O-CB 3.32Å; F177-L193 HydrophobicContact CB-CD2 4.02Å; F177-L193 HydrophobicContact CD1-CD2 3.87Å; F177-L193 HydrophobicContact CG-CD2 4.28Å; F178-L193 HydrophobicContact CE1-CD1 4.15Å; F178-L193 HydrophobicContact CE1-CD2 4.11Å; F178-L193 HydrophobicContact CE2-CD2 4.19Å; F178-L193 HydrophobicContact CZ-CD1 4.12Å; F178-L193 HydrophobicContact CZ-CD2 3.56Å; V189-L193 HydrophobicContact CG1-CD1 4.04Å; V189-L193 HydrophobicContact CG1-CD2 4.44Å; V189-L193 HydrophobicContact CG1-CG 4.07Å; V189-L193 HydrophobicContact CG2-CD1 4.15Å; L193-Y201 HydrophobicContact CD2-CE2 4.08Å; L193-I226 HydrophobicContact CD1-CD1 3.94Å
194D84.6Confident85.9Confident71 Ų7157.2 Ų57.238%0.3829%0.288SS..  trans-139.8111.1-171171.3-28.6000105.8E196 V197 T198D194-E196 WeakPolarHBondContact OD1-CA 3.25Å; D194-E196 WeakPolarHBondContact OD1-CB 3.23Å; D194-E196 PolarHBondContact OD1-N 2.78Å; D194-E196 VanDerWaalsContact OD1-N 3.16Å; D194-V197 HydrophobicContact CB-CB 4.37Å; D194-V197 WeakPolarHBondContact OD1-CB 3.19Å; D194-V197 WeakPolarHBondContact OD1-CG2 3.4Å; D194-V197 PolarHBondContact OD1-N 2.76Å; D194-V197 WeakPolarHBondContact OD2-CG2 3.34Å; D194-T198 CarbonylContact O-C 3.57Å; D194-T198 PolarHBondContact O-N 2.65Å
195Y86.4Confident86.3Confident35 Ų3549.6 Ų49.614%0.13726%0.259CS..THydrogen-bonded Turntrans-72.5-36.7-177.9179.4-100.1000110.9E143 V197 T198 Q199 I226 D228 K265E143-Y195 VanDerWaalsContact CD-CB 3.45Å; E143-Y195 VanDerWaalsContact OE1-CB 3.27Å; E143-Y195 WeakPolarHBondContact OE1-CB 3.29Å; E143-Y195 WeakPolarHBondContact OE2-CA 3.28Å; E143-Y195 WeakPolarHBondContact OE2-CB 3.4Å; E143-Y195 PolarHBondContact OE2-N 3.15Å; Y195-V197 PolarHBondContact O-N 3.07Å; Y195-T198 PolarHBondContact O-N 3.31Å; Y195-Q199 HydrophobicContact CD1-CG 4.25Å; Y195-Q199 HydrophobicContact CD2-CB 4Å; Y195-Q199 HydrophobicContact CD2-CG 3.83Å; Y195-Q199 HydrophobicContact CE1-CG 4.03Å; Y195-Q199 HydrophobicContact CE2-CB 3.71Å; Y195-Q199 HydrophobicContact CE2-CG 3.6Å; Y195-Q199 HydrophobicContact CG-CG 4.14Å; Y195-Q199 WeakPolarHBondContact O-CG 2.93Å; Y195-Q199 PolarHBondContact O-N 2.95Å; Y195-Q199 PolarHBondContact OH-NE2 3.18Å; Y195-I226 HydrophobicContact CD2-CB 4Å; Y195-I226 HydrophobicContact CD2-CG2 3.97Å; Y195-I226 WeakPolarHBondContact CE2-O 3.1Å; Y195-I226 HydrophobicContact CG-CG2 4.5Å; Y195-D228 HydrophobicContact CD1-CB 3.82Å; Y195-D228 HydrophobicContact CD2-CB 4.4Å; Y195-D228 VanDerWaalsContact CD2-N 3.33Å; Y195-D228 HydrophobicContact CE1-CB 3.69Å; Y195-D228 HydrophobicContact CE2-CB 4.28Å; Y195-D228 HydrophobicContact CG-CB 4.19Å; Y195-K265 HydrophobicContact CE1-CB 4.2Å
196E84.6Confident86.5Confident25 Ų2550.3 Ų50.312%0.11726%0.263CS..THydrogen-bonded Turntrans-56.5-40.6176.6-8131.8-96.100110.8D194 M232 K265D194-E196 WeakPolarHBondContact OD1-CA 3.25Å; D194-E196 WeakPolarHBondContact OD1-CB 3.23Å; D194-E196 PolarHBondContact OD1-N 2.78Å; D194-E196 VanDerWaalsContact OD1-N 3.16Å; E196-M232 HydrophobicContact CG-CG 4.47Å; E196-K265 HydrophobicContact CB-CD 4.43Å; E196-K265 HydrophobicContact CG-CD 4.37Å; E196-K265 HydrophobicContact CG-CG 4.22Å; E196-K265 WeakPolarHBondContact O-CE 3.37Å; E196-K265 PolarHBondContact O-NZ 2.94Å; E196-K265 WeakPolarHBondContact OE1-CA 3.43Å; E196-K265 WeakPolarHBondContact OE1-CB 3.48Å; E196-K265 WeakPolarHBondContact OE1-CG 3.16Å; E196-K265 PolarHBondContact OE1-N 3.32Å
197V80.4Confident86.6Confident111 Ų11147.9 Ų47.967%0.67325%0.25SS*.THydrogen-bonded Turntrans-86.2-49.7176.5178.50000111.4D194 Y195D194-V197 HydrophobicContact CB-CB 4.37Å; D194-V197 WeakPolarHBondContact OD1-CB 3.19Å; D194-V197 WeakPolarHBondContact OD1-CG2 3.4Å; D194-V197 PolarHBondContact OD1-N 2.76Å; D194-V197 WeakPolarHBondContact OD2-CG2 3.34Å; Y195-V197 PolarHBondContact O-N 3.07Å
198T80.3Confident86.5Confident40 Ų4049.3 Ų49.325%0.24526%0.259CS..  trans-138.686.8-172.9-49.80000114.6D194 Y195 A200 Y201 I226D194-T198 CarbonylContact O-C 3.57Å; D194-T198 PolarHBondContact O-N 2.65Å; Y195-T198 PolarHBondContact O-N 3.31Å; T198-A200 PolarHBondContact O-N 2.82Å; T198-A200 VanDerWaalsContact O-N 3.12Å; T198-Y201 HydrophobicContact CG2-CD1 3.91Å; T198-Y201 HydrophobicContact CG2-CD2 4.12Å; T198-Y201 HydrophobicContact CG2-CE1 3.55Å; T198-Y201 HydrophobicContact CG2-CE2 3.77Å; T198-Y201 HydrophobicContact CG2-CG 4.19Å; T198-Y201 VanDerWaalsContact CG2-CZ 3.48Å; T198-I226 WeakPolarHBondContact O-CG1 3.36Å
199Q84.4Confident86.3Confident89 Ų8948 Ų4842%0.41625%0.251SS..SBendtrans-60.7-20.1178.5-58.7-173.9-20.700115.8Y195 I226Y195-Q199 HydrophobicContact CD1-CG 4.25Å; Y195-Q199 HydrophobicContact CD2-CB 4Å; Y195-Q199 HydrophobicContact CD2-CG 3.83Å; Y195-Q199 HydrophobicContact CE1-CG 4.03Å; Y195-Q199 HydrophobicContact CE2-CB 3.71Å; Y195-Q199 HydrophobicContact CE2-CG 3.6Å; Y195-Q199 HydrophobicContact CG-CG 4.14Å; Y195-Q199 WeakPolarHBondContact O-CG 2.93Å; Y195-Q199 PolarHBondContact O-N 2.95Å; Y195-Q199 PolarHBondContact OH-NE2 3.18Å; Q199-I226 WeakPolarHBondContact O-CB 3.34Å; Q199-I226 PolarHBondContact O-N 2.85Å
200A88.1Confident86.1Confident48 Ų4851.3 Ų51.340%0.39727%0.266SS..EExtended strand (participates in β ladder)trans-161.1145.4176.100000112.9T198 I224 I225T198-A200 PolarHBondContact O-N 2.82Å; T198-A200 VanDerWaalsContact O-N 3.12Å; A200-I224 CarbonylContact C-O 3.57Å; A200-I224 VanDerWaalsContact CA-O 3.28Å; A200-I224 WeakPolarHBondContact CA-O 3.26Å; A200-I225 HydrophobicContact CB-CG1 4.49Å
201Y89.4Confident85.9Confident21 Ų2150.2 Ų50.28%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-113.5129.7175.3-59.8-96.2000110.5F177 F178 L193 T198 I224 I226F177-Y201 HydrophobicContact CB-CE1 4.23Å; F177-Y201 WeakPolarHBondContact CD1-OH 3.28Å; F177-Y201 HydrophobicContact CD2-CD1 4.3Å; F177-Y201 AromaticContact CD2-CE1 3.35Å; F177-Y201 HydrophobicContact CD2-CE1 3.35Å; F177-Y201 AromaticContact CD2-CZ 3.84Å; F177-Y201 WeakPolarHBondContact CE1-OH 3.17Å; F177-Y201 AromaticContact CE2-CE1 3.76Å; F177-Y201 HydrophobicContact CE2-CE1 3.76Å; F177-Y201 AromaticContact CG-CE1 3.8Å; F177-Y201 HydrophobicContact CG-CE1 3.8Å; F177-Y201 AromaticContact CG-CZ 3.86Å; F177-Y201 HydrophobicContact CZ-CE1 4.5Å; F178-Y201 HydrophobicContact CD2-CG 4.49Å; F178-Y201 AromaticContact CE2-CD1 3.96Å; F178-Y201 HydrophobicContact CE2-CD1 3.96Å; F178-Y201 AromaticContact CE2-CD2 3.54Å; F178-Y201 HydrophobicContact CE2-CD2 3.54Å; F178-Y201 HydrophobicContact CE2-CE1 4.28Å; F178-Y201 AromaticContact CE2-CE2 3.9Å; F178-Y201 HydrophobicContact CE2-CE2 3.9Å; F178-Y201 AromaticContact CE2-CG 3.56Å; F178-Y201 HydrophobicContact CE2-CG 3.56Å; F178-Y201 AromaticContact CZ-CD2 3.83Å; F178-Y201 HydrophobicContact CZ-CD2 3.83Å; F178-Y201 HydrophobicContact CZ-CE2 4.07Å; F178-Y201 HydrophobicContact CZ-CG 4.3Å; L193-Y201 HydrophobicContact CD2-CE2 4.08Å; T198-Y201 HydrophobicContact CG2-CD1 3.91Å; T198-Y201 HydrophobicContact CG2-CD2 4.12Å; T198-Y201 HydrophobicContact CG2-CE1 3.55Å; T198-Y201 HydrophobicContact CG2-CE2 3.77Å; T198-Y201 HydrophobicContact CG2-CG 4.19Å; T198-Y201 VanDerWaalsContact CG2-CZ 3.48Å; Y201-I224 PolarHBondContact N-O 3.07Å; Y201-I224 PolarHBondContact O-N 3.27Å; Y201-I226 HydrophobicContact CD2-CD1 4.04Å; Y201-I226 HydrophobicContact CD2-CG1 4.05Å; Y201-I226 HydrophobicContact CE2-CD1 3.97Å; Y201-I226 HydrophobicContact CE2-CG1 3.84Å
202Q88.9Confident85.1Confident132 Ų13253.2 Ų53.262%0.61727%0.273SS*.EExtended strand (participates in β ladder)trans-104.7103.6171.1-68.2-68.5-33.200108A223Q202-A223 VanDerWaalsContact NE2-CB 3.31Å
203L90.5Very high84.5Confident19 Ų1951.3 Ų51.310%0.09927%0.272CS..EExtended strand (participates in β ladder)trans-102.8138.6-179.5-54.6-176.5000110F171 F178 L222 I224F171-L203 HydrophobicContact CD1-CB 3.89Å; F171-L203 HydrophobicContact CD1-CD1 4.1Å; F171-L203 HydrophobicContact CE1-CB 3.7Å; F171-L203 HydrophobicContact CE1-CD1 3.49Å; F171-L203 VanDerWaalsContact CE1-CD1 3.49Å; F171-L203 HydrophobicContact CE1-CG 4.24Å; F171-L203 HydrophobicContact CE2-CD1 4.07Å; F171-L203 HydrophobicContact CZ-CD1 3.48Å; F171-L203 VanDerWaalsContact CZ-CD1 3.48Å; F178-L203 HydrophobicContact CB-CD1 3.89Å; F178-L203 HydrophobicContact CD2-CD1 3.8Å; F178-L203 HydrophobicContact CG-CD1 4.03Å; L203-L222 HydrophobicContact CB-CB 4.49Å; L203-L222 PolarHBondContact N-O 3.01Å; L203-L222 PolarHBondContact O-N 3.05Å; L203-I224 HydrophobicContact CD1-CD1 3.63Å; L203-I224 HydrophobicContact CG-CD1 4.35Å
204T89.3Confident84Confident41 Ų4159.2 Ų59.225%0.25230%0.301SS..EExtended strand (participates in β ladder)trans-93.7118.2166.5-27.80000108.7F171 Q172 L219F171-T204 WeakPolarHBondContact CA-O 3.12Å; Q172-T204 PolarHBondContact N-O 3.43Å; Q172-T204 VanDerWaalsContact O-CB 3.23Å; Q172-T204 WeakPolarHBondContact O-CB 3.46Å; Q172-T204 PolarHBondContact O-OG1 2.95Å; T204-L219 HydrophobicContact CG2-CB 3.89Å; T204-L219 HydrophobicContact CG2-CD1 4.25Å; T204-L219 HydrophobicContact CG2-CD2 4.25Å; T204-L219 HydrophobicContact CG2-CG 4.35Å
205V91Very high84Confident0 Ų059.1 Ų59.10%030%0.304CS..EExtended strand (participates in β ladder)trans-88.2125.4169.2-175.80000107.7F132 V154 S170 F171 I180 L219 A220 L222F132-V205 HydrophobicContact CE1-CG1 3.98Å; F132-V205 HydrophobicContact CZ-CB 4.12Å; F132-V205 HydrophobicContact CZ-CG1 3.65Å; V154-V205 HydrophobicContact CG1-CG1 4.44Å; V154-V205 HydrophobicContact CG1-CG2 4.18Å; V154-V205 HydrophobicContact CG2-CG1 4Å; S170-V205 CarbonylContact O-C 3.52Å; S170-V205 WeakPolarHBondContact O-CA 3.24Å; F171-V205 HydrophobicContact CD1-CG2 4.02Å; F171-V205 HydrophobicContact CE1-CG2 3.66Å; I180-V205 HydrophobicContact CD1-CG1 3.93Å; V205-L219 CarbonylContact O-C 3.4Å; V205-L219 WeakPolarHBondContact O-CA 3.3Å; V205-A220 PolarHBondContact N-O 3.14Å; V205-A220 PolarHBondContact O-N 3.23Å; V205-L222 HydrophobicContact CG2-CB 4.09Å; V205-L222 HydrophobicContact CG2-CD2 4.46Å
206N89.6Confident84Confident15 Ų1560.2 Ų60.28%0.0831%0.312CS..EExtended strand (participates in β ladder)trans-97.4133.4167.8-176.624.5000109.5Y169 S170 Q172 T208 S217 T218 L219Y169-N206 WeakPolarHBondContact CA-O 3.35Å; S170-N206 PolarHBondContact N-O 3.35Å; S170-N206 PolarHBondContact O-N 3.15Å; Q172-N206 HydrophobicContact CB-CB 4.39Å; N206-T208 PolarHBondContact ND2-OG1 2.81Å; N206-T208 VanDerWaalsContact ND2-OG1 3.07Å; N206-S217 WeakPolarHBondContact OD1-CB 3.29Å; N206-T218 PolarHBondContact OD1-O 3.24Å; N206-L219 HydrophobicContact CB-CD2 3.59Å
207A89.9Confident84.3Confident0 Ų062.3 Ų62.30%033%0.329CS..EExtended strand (participates in β ladder)trans-114.8114.7166.700000108.2P130 F132 A156 V167 L168 Y169 S217 T218P130-A207 HydrophobicContact CB-CB 3.92Å; F132-A207 HydrophobicContact CD1-CB 4.5Å; F132-A207 HydrophobicContact CD2-CB 4.35Å; F132-A207 HydrophobicContact CE1-CB 3.79Å; F132-A207 HydrophobicContact CE2-CB 3.62Å; F132-A207 HydrophobicContact CZ-CB 3.31Å; A156-A207 HydrophobicContact CB-CB 3.96Å; V167-A207 HydrophobicContact CG1-CB 3.71Å; L168-A207 WeakPolarHBondContact O-CA 3.31Å; Y169-A207 HydrophobicContact CD1-CB 4.22Å; Y169-A207 HydrophobicContact CE1-CB 4.27Å; A207-S217 CarbonylContact O-C 3.5Å; A207-S217 VanDerWaalsContact O-CA 3.27Å; A207-S217 WeakPolarHBondContact O-CA 3.39Å; A207-T218 PolarHBondContact N-O 2.8Å; A207-T218 PolarHBondContact O-N 2.92Å
208T87.9Confident84.7Confident31 Ų3159 Ų5919%0.1931%0.309CS..EExtended strand (participates in β ladder)trans-113.9147.3178.4-43.70000108.8V167 L168 N206 P215 L216V167-T208 CarbonylContact C-O 3.52Å; V167-T208 WeakPolarHBondContact CA-O 3.07Å; L168-T208 PolarHBondContact N-O 2.64Å; L168-T208 PolarHBondContact O-N 3.37Å; N206-T208 PolarHBondContact ND2-OG1 2.81Å; N206-T208 VanDerWaalsContact ND2-OG1 3.07Å; T208-P215 HydrophobicContact CG2-CB 3.87Å; T208-L216 WeakPolarHBondContact CA-O 3.28Å; T208-L216 WeakPolarHBondContact CG2-O 3.39Å
209D86.2Confident85.3Confident6 Ų661.5 Ų61.53%0.03232%0.321CS..  trans-71-172.416467.960.9000112.2N126 P130 G164 D211 P215 L216N126-D209 PolarHBondContact ND2-OD2 2.85Å; P130-D209 HydrophobicContact CG-CB 4.28Å; G164-D209 WeakPolarHBondContact O-CB 3.32Å; D209-D211 PolarHBondContact OD1-N 3.04Å; D209-P215 VanDerWaalsContact OD1-CA 3.27Å; D209-P215 WeakPolarHBondContact OD1-CA 3.46Å; D209-L216 PolarHBondContact N-O 2.89Å; D209-L216 VanDerWaalsContact N-O 3.08Å; D209-L216 WeakPolarHBondContact OD2-CA 3.29Å; D209-L216 WeakPolarHBondContact OD2-CB 3.28Å; D209-L216 PolarHBondContact OD2-N 3.44Å
210Q83.5Confident85.5Confident70 Ų7057.4 Ų57.433%0.32730%0.302SS..  trans-115.515.5178.5-76.9172.672.600114.2A163 S166 L168 K212A163-Q210 HydrophobicContact CB-CB 4.32Å; A163-Q210 WeakPolarHBondContact O-CA 3.46Å; A163-Q210 WeakPolarHBondContact O-CB 3.11Å; A163-Q210 PolarHBondContact O-N 3.18Å; S166-Q210 VanDerWaalsContact O-CG 3.29Å; S166-Q210 WeakPolarHBondContact O-CG 3.33Å; S166-Q210 PolarHBondContact O-N 2.93Å; S166-Q210 PolarHBondContact O-NE2 2.78Å; S166-Q210 PolarHBondContact OG-NE2 2.8Å; L168-Q210 HydrophobicContact CD1-CG 3.62Å; L168-Q210 HydrophobicContact CG-CG 3.77Å; Q210-K212 PolarHBondContact O-N 3.35Å
211D77.7Confident85.6Confident38 Ų3860 Ų6020%0.20331%0.309CS..  trans-62.7139.8173.8-176.951000111.8N126 D209 T213 R214 P215N126-D211 HydrophobicContact CB-CB 4.1Å; D209-D211 PolarHBondContact OD1-N 3.04Å; D211-T213 WeakPolarHBondContact OD2-CA 3.26Å; D211-T213 WeakPolarHBondContact OD2-CB 3.44Å; D211-T213 PolarHBondContact OD2-N 3.23Å; D211-T213 PolarHBondContact OD2-OG1 3.22Å; D211-R214 PolarHBondContact OD2-N 2.91Å; D211-P215 WeakPolarHBondContact O-CB 3.22Å; D211-P215 WeakPolarHBondContact O-CD 3.13Å
212K65.3Low85.7Confident155 Ų15559 Ų5967%0.67431%0.305SS*.SBendtrans-85.7-9-173.5-59-176.2-174.9-177.60113.2Q210Q210-K212 PolarHBondContact O-N 3.35Å
213T70.2Confident85.8Confident117 Ų11753.5 Ų53.572%0.71828%0.282SS*.SBendtrans-119.9-35.2-170.474.30000113.5D211D211-T213 WeakPolarHBondContact OD2-CA 3.26Å; D211-T213 WeakPolarHBondContact OD2-CB 3.44Å; D211-T213 PolarHBondContact OD2-N 3.23Å; D211-T213 PolarHBondContact OD2-OG1 3.22Å
214R76.6Confident85.8Confident180 Ų18052.6 Ų52.668%0.67928%0.277SS*.  trans-148.462.6-178.2-69.9-176.3156.8-156.9-2.7111.1N126 D211 L216N126-R214 PolarHBondContact ND2-O 3.31Å; D211-R214 PolarHBondContact OD2-N 2.91Å; R214-L216 PolarHBondContact O-N 3.03Å
215P84.4Confident85.8Confident69 Ų6953.1 Ų53.145%0.44828%0.278SS..  trans-64.5125.117526.3-32.6000111T208 D209 D211T208-P215 HydrophobicContact CG2-CB 3.87Å; D209-P215 VanDerWaalsContact OD1-CA 3.27Å; D209-P215 WeakPolarHBondContact OD1-CA 3.46Å; D211-P215 WeakPolarHBondContact O-CB 3.22Å; D211-P215 WeakPolarHBondContact O-CD 3.13Å
216L86.7Confident85.8Confident58 Ų5853.1 Ų53.130%0.30428%0.278SS..  trans-99.4150.9177.4-63173.4000109.3N128 A129 T208 D209 R214N128-L216 WeakPolarHBondContact O-CB 3.42Å; N128-L216 WeakPolarHBondContact O-CD1 3.27Å; A129-L216 HydrophobicContact CB-CB 4Å; T208-L216 WeakPolarHBondContact CA-O 3.28Å; T208-L216 WeakPolarHBondContact CG2-O 3.39Å; D209-L216 PolarHBondContact N-O 2.89Å; D209-L216 VanDerWaalsContact N-O 3.08Å; D209-L216 WeakPolarHBondContact OD2-CA 3.29Å; D209-L216 WeakPolarHBondContact OD2-CB 3.28Å; D209-L216 PolarHBondContact OD2-N 3.44Å; R214-L216 PolarHBondContact O-N 3.03Å
217S89.5Confident85.6Confident68 Ų6854.3 Ų54.348%0.47629%0.286SS..EExtended strand (participates in β ladder)trans-150.2145.3-169.3340000113.1N206 A207N206-S217 WeakPolarHBondContact OD1-CB 3.29Å; A207-S217 CarbonylContact O-C 3.5Å; A207-S217 VanDerWaalsContact O-CA 3.27Å; A207-S217 WeakPolarHBondContact O-CA 3.39Å
218T89.3Confident85.4Confident41 Ų4155.6 Ų55.625%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-125.7144.3177.4-56.90000109.7P130 F132 N206 A207P130-T218 WeakPolarHBondContact O-CB 3.34Å; P130-T218 PolarHBondContact O-OG1 3.2Å; F132-T218 HydrophobicContact CD2-CG2 3.99Å; F132-T218 HydrophobicContact CE2-CG2 4.46Å; F132-T218 WeakPolarHBondContact CE2-O 3.13Å; N206-T218 PolarHBondContact OD1-O 3.24Å; A207-T218 PolarHBondContact N-O 2.8Å; A207-T218 PolarHBondContact O-N 2.92Å
219L92Very high85.2Confident94 Ų9457.3 Ų57.349%0.49230%0.3SS..EExtended strand (participates in β ladder)trans-106.4143.4177.6-59.1-178.9000111.6T204 V205 N206T204-L219 HydrophobicContact CG2-CB 3.89Å; T204-L219 HydrophobicContact CG2-CD1 4.25Å; T204-L219 HydrophobicContact CG2-CD2 4.25Å; T204-L219 HydrophobicContact CG2-CG 4.35Å; V205-L219 CarbonylContact O-C 3.4Å; V205-L219 WeakPolarHBondContact O-CA 3.3Å; N206-L219 HydrophobicContact CB-CD2 3.59Å
220A89.1Confident84.9Confident2 Ų259.5 Ų59.52%0.01731%0.31CS..EExtended strand (participates in β ladder)trans-135140.2172.400000111.4F132 Q135 Y137 V205F132-A220 HydrophobicContact CD1-CB 4.32Å; F132-A220 HydrophobicContact CD2-CB 3.48Å; F132-A220 VanDerWaalsContact CD2-CB 3.48Å; F132-A220 HydrophobicContact CE1-CB 4.3Å; F132-A220 HydrophobicContact CE2-CB 3.44Å; F132-A220 VanDerWaalsContact CE2-CB 3.44Å; F132-A220 HydrophobicContact CG-CB 3.9Å; F132-A220 HydrophobicContact CZ-CB 3.87Å; Q135-A220 VanDerWaalsContact NE2-CB 3.31Å; Y137-A220 HydrophobicContact CD2-CB 3.97Å; Y137-A220 HydrophobicContact CE2-CB 3.69Å; V205-A220 PolarHBondContact N-O 3.14Å; V205-A220 PolarHBondContact O-N 3.23Å
221N90Very high84.8Confident103 Ų10360.4 Ų60.455%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans-88.2132.3175.8-63.1-0.5000110.4
222L92Very high84.9Confident0 Ų062 Ų620%032%0.324CS..EExtended strand (participates in β ladder)trans-115113.8172171.362.5000109.5F152 F171 V187 L203 V205 I224F152-L222 HydrophobicContact CD1-CD1 3.81Å; F152-L222 HydrophobicContact CE1-CD1 4.12Å; F152-L222 HydrophobicContact CG-CD1 4.06Å; F171-L222 HydrophobicContact CE1-CD2 4.25Å; F171-L222 HydrophobicContact CZ-CD2 4.35Å; V187-L222 HydrophobicContact CG1-CD2 4.35Å; V187-L222 HydrophobicContact CG2-CD2 3.88Å; L203-L222 HydrophobicContact CB-CB 4.49Å; L203-L222 PolarHBondContact N-O 3.01Å; L203-L222 PolarHBondContact O-N 3.05Å; V205-L222 HydrophobicContact CG2-CB 4.09Å; V205-L222 HydrophobicContact CG2-CD2 4.46Å; L222-I224 HydrophobicContact CD1-CG1 4.49Å; L222-I224 HydrophobicContact CD2-CD1 4.32Å; L222-I224 HydrophobicContact CD2-CG1 4.27Å; L222-I224 HydrophobicContact CG-CG1 4.02Å
223A90.7Very high85.6Confident16 Ų1658.7 Ų58.713%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-96.798.3178.500000111Y137 S138 V139 Q202Y137-A223 PolarHBondContact O-N 3.01Å; S138-A223 WeakPolarHBondContact CA-O 3.02Å; S138-A223 WeakPolarHBondContact CB-O 3.32Å; S138-A223 PolarHBondContact OG-O 2.94Å; V139-A223 PolarHBondContact N-O 3.31Å; V139-A223 VanDerWaalsContact N-O 3.08Å; Q202-A223 VanDerWaalsContact NE2-CB 3.31Å
224I92.1Very high86.4Confident0 Ų053.3 Ų53.30%028%0.28CS..EExtended strand (participates in β ladder)trans-88118.9173.5-53.3173000107.5V139 I141 I151 F178 A200 Y201 L203 L222 I226V139-I224 HydrophobicContact CG1-CB 4.27Å; V139-I224 HydrophobicContact CG1-CG1 4.03Å; V139-I224 HydrophobicContact CG1-CG2 4.07Å; I141-I224 HydrophobicContact CD1-CG2 3.7Å; I141-I224 HydrophobicContact CG1-CG2 4.03Å; I151-I224 HydrophobicContact CD1-CD1 3.79Å; I151-I224 HydrophobicContact CD1-CG1 4.38Å; I151-I224 HydrophobicContact CD1-CG2 4.29Å; F178-I224 HydrophobicContact CD1-CD1 3.69Å; F178-I224 HydrophobicContact CD2-CD1 3.8Å; F178-I224 HydrophobicContact CE1-CD1 3.71Å; F178-I224 HydrophobicContact CE1-CG2 4.2Å; F178-I224 HydrophobicContact CE2-CD1 3.84Å; F178-I224 HydrophobicContact CG-CD1 3.74Å; F178-I224 HydrophobicContact CZ-CD1 3.79Å; F178-I224 HydrophobicContact CZ-CG2 3.98Å; A200-I224 CarbonylContact C-O 3.57Å; A200-I224 VanDerWaalsContact CA-O 3.28Å; A200-I224 WeakPolarHBondContact CA-O 3.26Å; Y201-I224 PolarHBondContact N-O 3.07Å; Y201-I224 PolarHBondContact O-N 3.27Å; L203-I224 HydrophobicContact CD1-CD1 3.63Å; L203-I224 HydrophobicContact CG-CD1 4.35Å; L222-I224 HydrophobicContact CD1-CG1 4.49Å; L222-I224 HydrophobicContact CD2-CD1 4.32Å; L222-I224 HydrophobicContact CD2-CG1 4.27Å; L222-I224 HydrophobicContact CG-CG1 4.02Å; I224-I226 HydrophobicContact CG2-CD1 4.03Å
225I88.8Confident86.8Confident52 Ų5248.1 Ų48.127%0.26727%0.266SS..EExtended strand (participates in β ladder)trans-106.9123.3178.3-59.8168.6000108V139 R140 I141 A200V139-I225 PolarHBondContact O-N 2.8Å; R140-I225 VanDerWaalsContact CA-O 3.29Å; R140-I225 WeakPolarHBondContact CA-O 3.06Å; R140-I225 HydrophobicContact CG-CB 4.22Å; I141-I225 PolarHBondContact N-O 3.12Å; A200-I225 HydrophobicContact CB-CG1 4.49Å
226I90.1Very high86.8Confident1 Ų145.3 Ų45.31%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-82.3152.3176.7-49.6-51.5000109.1I141 E143 L193 Y195 T198 Q199 Y201 I224I141-I226 HydrophobicContact CD1-CD1 3.96Å; I141-I226 HydrophobicContact CG1-CD1 3.74Å; I141-I226 CarbonylContact O-C 3.59Å; I141-I226 VanDerWaalsContact O-CA 3.3Å; I141-I226 WeakPolarHBondContact O-CA 3.42Å; E143-I226 HydrophobicContact CB-CG2 3.6Å; L193-I226 HydrophobicContact CD1-CD1 3.94Å; Y195-I226 HydrophobicContact CD2-CB 4Å; Y195-I226 HydrophobicContact CD2-CG2 3.97Å; Y195-I226 WeakPolarHBondContact CE2-O 3.1Å; Y195-I226 HydrophobicContact CG-CG2 4.5Å; T198-I226 WeakPolarHBondContact O-CG1 3.36Å; Q199-I226 WeakPolarHBondContact O-CB 3.34Å; Q199-I226 PolarHBondContact O-N 2.85Å; Y201-I226 HydrophobicContact CD2-CD1 4.04Å; Y201-I226 HydrophobicContact CD2-CG1 4.05Å; Y201-I226 HydrophobicContact CE2-CD1 3.97Å; Y201-I226 HydrophobicContact CE2-CG1 3.84Å; I224-I226 HydrophobicContact CG2-CD1 4.03Å
227T85.9Confident86.5Confident40 Ų4045.5 Ų45.525%0.24525%0.247CC..EExtended strand (participates in β ladder)trans-131.5103172.863.30000112.3I141 P142I141-T227 PolarHBondContact O-N 2.81Å; I141-T227 PolarHBondContact O-OG1 2.89Å; P142-T227 WeakPolarHBondContact CA-O 3.29Å; P142-T227 WeakPolarHBondContact CA-OG1 3.21Å
228D84.8Confident85.7Confident26 Ų2647.7 Ų47.714%0.13925%0.253CS..  trans12.8105.5140-168.370.8000115.4E143 Y195 G266 R267E143-D228 WeakPolarHBondContact OE1-CA 3.08Å; E143-D228 PolarHBondContact OE1-N 3.36Å; Y195-D228 HydrophobicContact CD1-CB 3.82Å; Y195-D228 HydrophobicContact CD2-CB 4.4Å; Y195-D228 VanDerWaalsContact CD2-N 3.33Å; Y195-D228 HydrophobicContact CE1-CB 3.69Å; Y195-D228 HydrophobicContact CE2-CB 4.28Å; Y195-D228 HydrophobicContact CG-CB 4.19Å; D228-G266 WeakPolarHBondContact OD1-CA 3.5Å; D228-G266 PolarHBondContact OD1-N 3.47Å; D228-G266 VanDerWaalsContact OD2-C 3.3Å; D228-G266 WeakPolarHBondContact OD2-CA 3.19Å; D228-R267 WeakPolarHBondContact OD2-CB 3.11Å; D228-R267 WeakPolarHBondContact OD2-CG 3.24Å; D228-R267 PolarHBondContact OD2-N 3.02Å
229M84.4Confident84.7Confident68 Ų6850 Ų5034%0.33526%0.263SS..  trans-115.6141.2166.9-67.4-64.4-46.500108.3P142 E143 N144 D231P142-M229 HydrophobicContact CB-CG 4.04Å; P142-M229 HydrophobicContact CB-SD 3.93Å; E143-M229 HydrophobicContact CG-CB 4.15Å; E143-M229 HydrophobicContact CG-CG 4.12Å; E143-M229 PolarHBondContact OE1-N 2.95Å; N144-M229 HydrophobicContact CB-CG 4.45Å; M229-D231 PolarHBondContact O-N 2.79Å
230Q80.7Confident83.2Confident52 Ų5250.7 Ų50.724%0.24327%0.274CS..SBendtrans-77.796.4174.5-56.7-73.4134.500109.4D262 D264 R267 E318Q230-D262 PolarHBondContact NE2-OD2 2.59Å; Q230-D264 WeakPolarHBondContact CA-OD2 3.11Å; Q230-D264 WeakPolarHBondContact CB-OD2 3.43Å; Q230-D264 PolarHBondContact NE2-OD2 3.16Å; Q230-R267 PolarHBondContact OE1-O 3.25Å; Q230-E318 PolarHBondContact NE2-OE1 2.83Å; Q230-E318 VanDerWaalsContact NE2-OE1 3.12Å
231D80.8Confident82.2Confident88 Ų8850.9 Ų50.947%0.47127%0.274SS..  trans-137.7-0.4176.869.126.1000115.8M229M229-D231 PolarHBondContact O-N 2.79Å
232M79.8Confident81.5Confident71 Ų7149.1 Ų49.135%0.3527%0.27SS..PPolyproline II helixtrans-83.3135.2168.4-61.6-70.989.400113.1E196 Q263 D264E196-M232 HydrophobicContact CG-CG 4.47Å; M232-Q263 HydrophobicContact CB-CB 3.75Å; M232-Q263 HydrophobicContact CG-CB 4.06Å; M232-D264 WeakPolarHBondContact CB-OD1 3.46Å; M232-D264 WeakPolarHBondContact CG-OD1 3.25Å; M232-D264 PolarHBondContact N-OD1 3.18Å
233D80.2Confident80.8Confident87 Ų8750.2 Ų50.247%0.46528%0.276SS..PPolyproline II helixtrans-65.5143162.8-93.3-46.9000110.5Q263 A328 T329D233-Q263 PolarHBondContact O-NE2 3.26Å; D233-A328 VanDerWaalsContact OD1-C 3.24Å; D233-A328 VanDerWaalsContact OD1-CA 3.26Å; D233-A328 WeakPolarHBondContact OD1-CA 3.48Å; D233-T329 PolarHBondContact OD1-N 2.79Å
234P87.5Confident80.3Confident3 Ų353.9 Ų53.92%0.01929%0.294CS..PPolyproline II helixtrans-65.5149.6175.627.2-34.8000111.8V261 I271 E318 V330P234-V261 CarbonylContact C-O 3.56Å; P234-V261 VanDerWaalsContact CA-O 3.29Å; P234-V261 WeakPolarHBondContact CA-O 3.31Å; P234-V261 WeakPolarHBondContact CB-O 3.36Å; P234-I271 HydrophobicContact CB-CD1 3.53Å; P234-I271 HydrophobicContact CB-CG1 4.26Å; P234-I271 HydrophobicContact CG-CD1 4.22Å; P234-E318 HydrophobicContact CG-CB 4.21Å; P234-V330 HydrophobicContact CB-CG1 4.48Å; P234-V330 HydrophobicContact CG-CG1 4.13Å; P234-V330 WeakPolarHBondContact O-CB 3.42Å; P234-V330 WeakPolarHBondContact O-CG1 3.25Å
235I84.1Confident79.9Confident72 Ų7254.3 Ų54.337%0.36930%0.296SS..EExtended strand (participates in β ladder)trans-119.5135-177.6-164.6170000112.8I237 A260 V261 Q263I235-I237 HydrophobicContact CG2-CG2 4.48Å; I235-I237 PolarHBondContact O-N 3.44Å; I235-A260 CarbonylContact O-C 3.58Å; I235-A260 WeakPolarHBondContact O-CA 3.26Å; I235-A260 WeakPolarHBondContact O-CB 3.15Å; I235-V261 HydrophobicContact CG2-CG2 3.75Å; I235-V261 PolarHBondContact N-O 2.94Å; I235-V261 PolarHBondContact O-N 3.17Å; I235-Q263 HydrophobicContact CB-CG 4.03Å; I235-Q263 HydrophobicContact CG2-CG 3.53Å
236F84.6Confident79.5Confident9 Ų957.7 Ų57.74%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-73119170.3-79.3-68.3000111L239 Y241 I258 A260 Y273 V314 V330 T332F236-L239 HydrophobicContact CB-CD1 4.11Å; F236-L239 HydrophobicContact CB-CD2 4.36Å; F236-L239 HydrophobicContact CB-CG 4.25Å; F236-L239 VanDerWaalsContact O-CD1 3.31Å; F236-L239 WeakPolarHBondContact O-CD1 3.29Å; F236-Y241 HydrophobicContact CB-CE2 4.15Å; F236-Y241 AromaticContact CD1-CE2 3.96Å; F236-Y241 HydrophobicContact CD1-CE2 3.96Å; F236-Y241 HydrophobicContact CG-CE2 4.31Å; F236-I258 HydrophobicContact CD1-CG2 3.86Å; F236-I258 HydrophobicContact CE1-CG2 3.53Å; F236-A260 HydrophobicContact CD1-CB 3.73Å; F236-A260 HydrophobicContact CE1-CB 3.96Å; F236-A260 HydrophobicContact CG-CB 4.19Å; F236-Y273 HydrophobicContact CE1-CD1 4.27Å; F236-Y273 HydrophobicContact CE1-CE1 4.14Å; F236-V314 HydrophobicContact CE1-CG2 4.37Å; F236-V314 HydrophobicContact CZ-CG2 3.94Å; F236-V330 HydrophobicContact CD2-CB 4.46Å; F236-V330 HydrophobicContact CD2-CG1 3.67Å; F236-V330 HydrophobicContact CD2-CG2 4.03Å; F236-V330 HydrophobicContact CE2-CB 4.5Å; F236-V330 HydrophobicContact CE2-CG1 3.62Å; F236-V330 HydrophobicContact CE2-CG2 4.41Å; F236-V330 HydrophobicContact CG-CG1 4.49Å; F236-V330 HydrophobicContact CZ-CG1 4.39Å; F236-T332 HydrophobicContact CB-CG2 4.33Å; F236-T332 HydrophobicContact CD1-CG2 4.14Å; F236-T332 HydrophobicContact CD2-CG2 3.4Å; F236-T332 VanDerWaalsContact CD2-CG2 3.4Å; F236-T332 HydrophobicContact CE1-CG2 4.31Å; F236-T332 HydrophobicContact CE2-CG2 3.57Å; F236-T332 HydrophobicContact CG-CG2 3.71Å; F236-T332 HydrophobicContact CZ-CG2 4.04Å
237I79.3Confident79.3Confident62 Ų6257.9 Ų57.932%0.31831%0.307SS..  trans-91.3171.3174.757.2166.6000111I235 L239 Y241 T259 V261I235-I237 HydrophobicContact CG2-CG2 4.48Å; I235-I237 PolarHBondContact O-N 3.44Å; I237-L239 PolarHBondContact O-N 2.52Å; I237-Y241 PolarHBondContact O-OH 3Å; I237-T259 HydrophobicContact CD1-CG2 3.91Å; I237-T259 HydrophobicContact CG1-CG2 4.08Å; I237-T259 WeakPolarHBondContact CG1-O 3.2Å; I237-T259 PolarHBondContact N-O 3.29Å; I237-V261 HydrophobicContact CD1-CG1 4.02Å; I237-V261 HydrophobicContact CG2-CG2 3.97Å
238N73Confident79.1Confident114 Ų11461.6 Ų61.661%0.6132%0.321SS*.SBendtrans58.828.3179.1-51.8-53.8000115.2
239L68.1Low79.1Confident89 Ų8960.9 Ų60.947%0.46632%0.319SS..  trans-71.7155.4172.3-71171.3000112.2F236 I237 Y241 T332F236-L239 HydrophobicContact CB-CD1 4.11Å; F236-L239 HydrophobicContact CB-CD2 4.36Å; F236-L239 HydrophobicContact CB-CG 4.25Å; F236-L239 VanDerWaalsContact O-CD1 3.31Å; F236-L239 WeakPolarHBondContact O-CD1 3.29Å; I237-L239 PolarHBondContact O-N 2.52Å; L239-Y241 HydrophobicContact CD2-CD2 3.42Å; L239-Y241 VanDerWaalsContact CD2-CD2 3.42Å; L239-Y241 HydrophobicContact CD2-CE2 3.75Å; L239-Y241 HydrophobicContact CD2-CG 4.3Å; L239-Y241 HydrophobicContact CG-CD2 4.46Å; L239-Y241 HydrophobicContact CG-CE2 4.4Å; L239-T332 HydrophobicContact CD2-CG2 4.33Å
240P61.2Low79.1Confident109 Ų10961.6 Ų61.671%0.70833%0.329SS*.SBendcis-75.1143-6.931.6-34.7000111.9S242P240-S242 PolarHBondContact O-N 2.72Å; P240-S242 VanDerWaalsContact O-N 3.11Å
241Y68.1Low79.4Confident7 Ų762.6 Ų62.63%0.02734%0.34CS..  trans-7897.5171.3-71.3-66.7000110.2F236 I237 L239 I258 T259 T332 F334 N335F236-Y241 HydrophobicContact CB-CE2 4.15Å; F236-Y241 AromaticContact CD1-CE2 3.96Å; F236-Y241 HydrophobicContact CD1-CE2 3.96Å; F236-Y241 HydrophobicContact CG-CE2 4.31Å; I237-Y241 PolarHBondContact O-OH 3Å; L239-Y241 HydrophobicContact CD2-CD2 3.42Å; L239-Y241 VanDerWaalsContact CD2-CD2 3.42Å; L239-Y241 HydrophobicContact CD2-CE2 3.75Å; L239-Y241 HydrophobicContact CD2-CG 4.3Å; L239-Y241 HydrophobicContact CG-CD2 4.46Å; L239-Y241 HydrophobicContact CG-CE2 4.4Å; Y241-I258 HydrophobicContact CD2-CG2 4.35Å; Y241-I258 HydrophobicContact CE1-CG2 4.32Å; Y241-I258 HydrophobicContact CE2-CG2 3.76Å; Y241-T259 PolarHBondContact OH-N 2.98Å; Y241-T259 PolarHBondContact OH-O 2.84Å; Y241-T332 HydrophobicContact CD2-CG2 4Å; Y241-T332 HydrophobicContact CE2-CG2 4.31Å; Y241-F334 WeakPolarHBondContact O-CD2 3.48Å; Y241-N335 PolarHBondContact O-N 3.34Å
242S75.5Confident79.6Confident66 Ų6661 Ų6146%0.46234%0.344SS..EExtended strand (participates in β ladder)trans-121.5142.9155.561.50000110.1P240 R256 N335P240-S242 PolarHBondContact O-N 2.72Å; P240-S242 VanDerWaalsContact O-N 3.11Å; S242-R256 PolarHBondContact O-NH1 3.15Å; S242-N335 WeakPolarHBondContact CA-O 3.48Å
243T78.1Confident80Confident22 Ų2259.8 Ų59.814%0.13534%0.34CS..EExtended strand (participates in β ladder)trans-149.2156.2172.8-137.70000109.2V255 R256 F334 N335 I336 L337T243-V255 HydrophobicContact CG2-CG1 3.71Å; T243-R256 PolarHBondContact OG1-NH1 2.79Å; T243-F334 HydrophobicContact CG2-CE2 3.82Å; T243-F334 HydrophobicContact CG2-CZ 3.55Å; T243-N335 PolarHBondContact N-O 3.33Å; T243-N335 VanDerWaalsContact N-O 3.13Å; T243-I336 WeakPolarHBondContact O-CA 3.45Å; T243-L337 PolarHBondContact O-N 3.45Å
244N78.7Confident80.4Confident93 Ų9359.6 Ų59.650%0.49734%0.342SS..EExtended strand (participates in β ladder)trans-113.6147.1175.7-55.914.7000109.2L337 I339N244-L337 CarbonylContact C-O 3.28Å; N244-L337 VanDerWaalsContact CA-O 3.27Å; N244-L337 WeakPolarHBondContact CA-O 3.25Å; N244-I339 HydrophobicContact CB-CD1 3.63Å; N244-I339 HydrophobicContact CB-CG1 3.68Å
245I84.3Confident80.3Confident9 Ų960.1 Ų60.15%0.04635%0.346CS..EExtended strand (participates in β ladder)trans-139129.5176.7-177.7161000109.7S249 T253 V255 L295 L299 I336 L337 V338 I339I245-S249 WeakPolarHBondContact CG1-OG 3.25Å; I245-T253 HydrophobicContact CD1-CG2 4.43Å; I245-V255 HydrophobicContact CB-CG1 4.44Å; I245-V255 HydrophobicContact CD1-CB 4.42Å; I245-V255 HydrophobicContact CD1-CG1 4.17Å; I245-V255 HydrophobicContact CD1-CG2 3.82Å; I245-L295 HydrophobicContact CD1-CD2 4.25Å; I245-L299 HydrophobicContact CD1-CD1 4.04Å; I245-L299 HydrophobicContact CG1-CD1 4.09Å; I245-L299 HydrophobicContact CG2-CD1 3.76Å; I245-I336 HydrophobicContact CG2-CG2 3.62Å; I245-L337 PolarHBondContact N-O 3.01Å; I245-V338 CarbonylContact O-C 3.55Å; I245-V338 VanDerWaalsContact O-CA 3.3Å; I245-V338 WeakPolarHBondContact O-CA 3.42Å; I245-I339 PolarHBondContact O-N 2.78Å
246Y81Confident80.3Confident124 Ų12460.4 Ų60.449%0.48634%0.342SS..EExtended strand (participates in β ladder)trans-70.2141.4172.7-60.8-81.8000110.4H248 S249 I339 I341Y246-H248 WeakPolarHBondContact CB-ND1 3.13Å; Y246-H248 PolarHBondContact O-N 2.88Å; Y246-S249 WeakPolarHBondContact O-CB 2.98Å; Y246-S249 PolarHBondContact O-N 2.78Å; Y246-S249 VanDerWaalsContact O-N 3.14Å; Y246-S249 PolarHBondContact O-OG 2.85Å; Y246-I339 WeakPolarHBondContact CA-O 3.45Å; Y246-I339 HydrophobicContact CD1-CB 3.67Å; Y246-I339 HydrophobicContact CD1-CD1 4.06Å; Y246-I339 HydrophobicContact CD1-CG1 4.41Å; Y246-I339 HydrophobicContact CD1-CG2 3.77Å; Y246-I339 HydrophobicContact CE1-CB 4.01Å; Y246-I339 HydrophobicContact CE1-CD1 3.77Å; Y246-I339 HydrophobicContact CE1-CG2 3.71Å; Y246-I339 HydrophobicContact CE2-CD1 4.24Å; Y246-I339 HydrophobicContact CG-CB 4.32Å; Y246-I339 HydrophobicContact CG-CD1 4.43Å; Y246-I341 HydrophobicContact CD1-CD1 3.75Å; Y246-I341 HydrophobicContact CD1-CG1 3.76Å; Y246-I341 HydrophobicContact CG-CD1 4.04Å; Y246-I341 HydrophobicContact CG-CG1 4.45Å
247E85Confident80.3Confident4 Ų463.4 Ų63.42%0.01936%0.361CS..THydrogen-bonded Turntrans-62.5-42.2-175.963.5-146.7105.100115S249 L299 R301 V338 I339 D340 I341E247-S249 PolarHBondContact O-N 3.04Å; E247-L299 HydrophobicContact CB-CB 3.98Å; E247-L299 WeakPolarHBondContact O-CB 3.38Å; E247-R301 WeakPolarHBondContact OE2-CA 3.14Å; E247-R301 WeakPolarHBondContact OE2-CB 3.07Å; E247-R301 PolarHBondContact OE2-N 3.13Å; E247-V338 HydrophobicContact CB-CG1 3.86Å; E247-I339 PolarHBondContact N-O 2.88Å; E247-D340 VanDerWaalsContact OE1-CA 3.24Å; E247-D340 WeakPolarHBondContact OE1-CA 3.16Å; E247-I341 PolarHBondContact OE1-N 2.96Å
248H82.6Confident80.6Confident118 Ų11860.5 Ų60.555%0.54635%0.346SS..THydrogen-bonded Turntrans-60.20.1175.683.3-38.5000114.8Y246 I341Y246-H248 WeakPolarHBondContact CB-ND1 3.13Å; Y246-H248 PolarHBondContact O-N 2.88Å; H248-I341 HydrophobicContact CB-CD1 4.36Å; H248-I341 WeakPolarHBondContact CE1-CD1 3.33Å; H248-I341 WeakPolarHBondContact ND1-CD1 3.28Å
249S84.7Confident81.1Confident12 Ų1257.1 Ų57.18%0.08433%0.33CS..PPolyproline II helixtrans-57.1124.7177.5-66.30000110.3I245 Y246 E247 L295I245-S249 WeakPolarHBondContact CG1-OG 3.25Å; Y246-S249 WeakPolarHBondContact O-CB 2.98Å; Y246-S249 PolarHBondContact O-N 2.78Å; Y246-S249 VanDerWaalsContact O-N 3.14Å; Y246-S249 PolarHBondContact O-OG 2.85Å; E247-S249 PolarHBondContact O-N 3.04Å; S249-L295 WeakPolarHBondContact O-CD2 3.36Å
250P84.8Confident82.1Confident83 Ų8353.1 Ų53.154%0.53931%0.31SS..PPolyproline II helixtrans-69.6149.8-176.926.3-33.9000111.8G252 T253P250-G252 PolarHBondContact O-N 2.95Å; P250-T253 WeakPolarHBondContact CD-OG1 3.42Å; P250-T253 VanDerWaalsContact O-CB 3.27Å; P250-T253 WeakPolarHBondContact O-CB 3.25Å; P250-T253 PolarHBondContact O-N 2.96Å; P250-T253 PolarHBondContact O-OG1 2.8Å
251P85.5Confident83.2Confident73 Ų7350.7 Ų50.747%0.47429%0.292SS..THydrogen-bonded Turntrans-54.6137.7171.4-2433.4000111.4L298P251-L298 HydrophobicContact CG-CD2 3.98Å
252G86Confident84Confident55 Ų5550.9 Ų50.957%0.56729%0.294SS*.THydrogen-bonded Turntrans94.7-8.1-168.100000114.5P250 T254 L295P250-G252 PolarHBondContact O-N 2.95Å; G252-T254 PolarHBondContact O-N 2.64Å; G252-L295 PolarHBondContact N-O 3.37Å
253T88.1Confident84.4Confident44 Ų4451.5 Ų51.527%0.2729%0.289SS..  trans-63124.8174.5-63.50000110.9I245 P250 V255 T294 L295I245-T253 HydrophobicContact CD1-CG2 4.43Å; P250-T253 WeakPolarHBondContact CD-OG1 3.42Å; P250-T253 VanDerWaalsContact O-CB 3.27Å; P250-T253 WeakPolarHBondContact O-CB 3.25Å; P250-T253 PolarHBondContact O-N 2.96Å; P250-T253 PolarHBondContact O-OG1 2.8Å; T253-V255 PolarHBondContact O-N 2.88Å; T253-T294 CarbonylContact O-C 3.2Å; T253-T294 WeakPolarHBondContact O-CA 3.16Å; T253-L295 PolarHBondContact O-N 3.19Å
254T87.3Confident84.6Confident83 Ų8350.5 Ų50.551%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-74109.6173.6-51.90000110G252 V257 A292 L293G252-T254 PolarHBondContact O-N 2.64Å; T254-V257 HydrophobicContact CG2-CG2 4.26Å; T254-A292 HydrophobicContact CG2-CB 4.41Å; T254-L293 CarbonylContact C-O 3.59Å
255V85.7Confident84.5Confident14 Ų1451.9 Ų51.99%0.08529%0.285CS..EExtended strand (participates in β ladder)trans-72.4-45.4-177.5-169.10000110.3T243 I245 T253 F284 L293 L295 I336T243-V255 HydrophobicContact CG2-CG1 3.71Å; I245-V255 HydrophobicContact CB-CG1 4.44Å; I245-V255 HydrophobicContact CD1-CB 4.42Å; I245-V255 HydrophobicContact CD1-CG1 4.17Å; I245-V255 HydrophobicContact CD1-CG2 3.82Å; T253-V255 PolarHBondContact O-N 2.88Å; V255-F284 HydrophobicContact CG1-CE1 4.36Å; V255-F284 HydrophobicContact CG2-CD1 3.89Å; V255-F284 HydrophobicContact CG2-CE1 3.9Å; V255-L293 HydrophobicContact CB-CD2 4.24Å; V255-L293 HydrophobicContact CG1-CD2 4.39Å; V255-L293 PolarHBondContact N-O 3.02Å; V255-L295 HydrophobicContact CG2-CB 4.23Å; V255-I336 HydrophobicContact CG1-CD1 4.33Å; V255-I336 HydrophobicContact CG1-CG2 4.12Å
256R85Confident83.9Confident79 Ų7953.2 Ų53.230%0.29830%0.301SS..EExtended strand (participates in β ladder)trans-165.8154.7174.7-164.665.6163.4-108.5-12.9108.9S242 T243 L293 F334S242-R256 PolarHBondContact O-NH1 3.15Å; T243-R256 PolarHBondContact OG1-NH1 2.79Å; R256-L293 PolarHBondContact N-O 2.9Å; R256-L293 PolarHBondContact O-N 3.46Å; R256-F334 HydrophobicContact CB-CE1 3.72Å; R256-F334 HydrophobicContact CB-CE2 4.48Å; R256-F334 HydrophobicContact CB-CZ 3.43Å; R256-F334 VanDerWaalsContact CB-CZ 3.43Å; R256-F334 HydrophobicContact CG-CE1 4.36Å; R256-F334 HydrophobicContact CG-CZ 3.91Å
257V84.6Confident83.8Confident72 Ų7255.8 Ų55.844%0.43631%0.31SS..EExtended strand (participates in β ladder)trans-95.3120.5160.6-178.50000107.6T254 S290 A292T254-V257 HydrophobicContact CG2-CG2 4.26Å; V257-S290 WeakPolarHBondContact CG1-O 3.34Å; V257-A292 HydrophobicContact CG2-CB 4.4Å
258I85.4Confident83.4Confident0 Ų059.5 Ų59.50%033%0.334CS..  trans-89.1132.2173.6-46-178.4000106.5F236 Y241 L286 G291 L293 V314 F334F236-I258 HydrophobicContact CD1-CG2 3.86Å; F236-I258 HydrophobicContact CE1-CG2 3.53Å; Y241-I258 HydrophobicContact CD2-CG2 4.35Å; Y241-I258 HydrophobicContact CE1-CG2 4.32Å; Y241-I258 HydrophobicContact CE2-CG2 3.76Å; I258-L286 HydrophobicContact CD1-CD1 3.97Å; I258-L286 HydrophobicContact CD1-CD2 4.35Å; I258-L286 HydrophobicContact CG1-CD1 4.39Å; I258-G291 PolarHBondContact N-O 2.89Å; I258-G291 WeakPolarHBondContact O-CA 3.43Å; I258-L293 HydrophobicContact CD1-CB 4.43Å; I258-V314 HydrophobicContact CD1-CB 4.41Å; I258-V314 HydrophobicContact CD1-CG1 3.92Å; I258-V314 HydrophobicContact CD1-CG2 4.17Å; I258-V314 HydrophobicContact CG2-CG2 4.34Å; I258-F334 HydrophobicContact CD1-CD1 3.7Å; I258-F334 HydrophobicContact CD1-CE1 4.23Å; I258-F334 HydrophobicContact CG1-CD1 4.2Å; I258-F334 HydrophobicContact CG1-CE1 4.35Å
259T84.5Confident83.5Confident44 Ų4457.3 Ų57.327%0.2732%0.321SS..  trans-132.5123-177.7-45.50000110.3I237 Y241I237-T259 HydrophobicContact CD1-CG2 3.91Å; I237-T259 HydrophobicContact CG1-CG2 4.08Å; I237-T259 WeakPolarHBondContact CG1-O 3.2Å; I237-T259 PolarHBondContact N-O 3.29Å; Y241-T259 PolarHBondContact OH-N 2.98Å; Y241-T259 PolarHBondContact OH-O 2.84Å
260A87.7Confident83.6Confident5 Ų559 Ų594%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-111.3153.7160.100000108.8I235 F236 I271 Y273I235-A260 CarbonylContact O-C 3.58Å; I235-A260 WeakPolarHBondContact O-CA 3.26Å; I235-A260 WeakPolarHBondContact O-CB 3.15Å; F236-A260 HydrophobicContact CD1-CB 3.73Å; F236-A260 HydrophobicContact CE1-CB 3.96Å; F236-A260 HydrophobicContact CG-CB 4.19Å; A260-I271 HydrophobicContact CB-CG1 4.34Å; A260-I271 HydrophobicContact CB-CG2 4.09Å; A260-Y273 HydrophobicContact CB-CE1 4.02Å; A260-Y273 PolarHBondContact N-OH 3.15Å; A260-Y273 PolarHBondContact O-OH 3Å
261V84.5Confident83.9Confident57 Ų5755.5 Ų55.535%0.34532%0.317SS..EExtended strand (participates in β ladder)trans-120.1144.8172.6-61.40000108.4P234 I235 I237P234-V261 CarbonylContact C-O 3.56Å; P234-V261 VanDerWaalsContact CA-O 3.29Å; P234-V261 WeakPolarHBondContact CA-O 3.31Å; P234-V261 WeakPolarHBondContact CB-O 3.36Å; I235-V261 HydrophobicContact CG2-CG2 3.75Å; I235-V261 PolarHBondContact N-O 2.94Å; I235-V261 PolarHBondContact O-N 3.17Å; I237-V261 HydrophobicContact CD1-CG1 4.02Å; I237-V261 HydrophobicContact CG2-CG2 3.97Å
262D85.8Confident84.2Confident12 Ų1252 Ų526%0.06429%0.294CS..  trans-61143.6155.7-169.8-9.4000108.3Q230 D264 P268 R269 I271Q230-D262 PolarHBondContact NE2-OD2 2.59Å; D262-D264 PolarHBondContact OD1-N 3.03Å; D262-P268 HydrophobicContact CB-CB 4.04Å; D262-P268 WeakPolarHBondContact OD2-CA 3.32Å; D262-R269 WeakPolarHBondContact OD2-CB 3.27Å; D262-R269 PolarHBondContact OD2-N 2.92Å; D262-I271 HydrophobicContact CB-CD1 4.2Å
263Q83.2Confident84.5Confident78 Ų7850.1 Ų50.136%0.36427%0.27SS..  trans-98.1-19.5-179.9-61.4-170.7101.200112.5M232 D233 I235 K265M232-Q263 HydrophobicContact CB-CB 3.75Å; M232-Q263 HydrophobicContact CG-CB 4.06Å; D233-Q263 PolarHBondContact O-NE2 3.26Å; I235-Q263 HydrophobicContact CB-CG 4.03Å; I235-Q263 HydrophobicContact CG2-CG 3.53Å; Q263-K265 PolarHBondContact O-N 3.28Å
264D83.2Confident84.7Confident2 Ų250.6 Ų50.61%0.01127%0.273CS..  trans-60.2124.5176.6-59.6-29.6000110.1Q230 M232 D262 P268Q230-D264 WeakPolarHBondContact CA-OD2 3.11Å; Q230-D264 WeakPolarHBondContact CB-OD2 3.43Å; Q230-D264 PolarHBondContact NE2-OD2 3.16Å; M232-D264 WeakPolarHBondContact CB-OD1 3.46Å; M232-D264 WeakPolarHBondContact CG-OD1 3.25Å; M232-D264 PolarHBondContact N-OD1 3.18Å; D262-D264 PolarHBondContact OD1-N 3.03Å; D264-P268 WeakPolarHBondContact O-CB 3.21Å; D264-P268 VanDerWaalsContact O-CD 3.25Å; D264-P268 WeakPolarHBondContact O-CD 3.06Å
265K75Confident84.8Confident122 Ų12248.9 Ų48.953%0.5326%0.26SS..SBendtrans-88.2-23.2-168-68.7-179.4-166.6-179.40115.1Y195 E196 Q263Y195-K265 HydrophobicContact CE1-CB 4.2Å; E196-K265 HydrophobicContact CB-CD 4.43Å; E196-K265 HydrophobicContact CG-CD 4.37Å; E196-K265 HydrophobicContact CG-CG 4.22Å; E196-K265 WeakPolarHBondContact O-CE 3.37Å; E196-K265 PolarHBondContact O-NZ 2.94Å; E196-K265 WeakPolarHBondContact OE1-CA 3.43Å; E196-K265 WeakPolarHBondContact OE1-CB 3.48Å; E196-K265 WeakPolarHBondContact OE1-CG 3.16Å; E196-K265 PolarHBondContact OE1-N 3.32Å; Q263-K265 PolarHBondContact O-N 3.28Å
266G73.2Confident84.9Confident37 Ų3752.4 Ų52.438%0.38128%0.281SS..SBendtrans-88.3-30.4-177.100000113.2D228D228-G266 WeakPolarHBondContact OD1-CA 3.5Å; D228-G266 PolarHBondContact OD1-N 3.47Å; D228-G266 VanDerWaalsContact OD2-C 3.3Å; D228-G266 WeakPolarHBondContact OD2-CA 3.19Å
267R77.4Confident85Confident177 Ų17751.4 Ų51.467%0.66829%0.286SS*.SBendtrans-141.647.1-179.1-71.7176.4178.3-118.23.1115.2D228 Q230 R269D228-R267 WeakPolarHBondContact OD2-CB 3.11Å; D228-R267 WeakPolarHBondContact OD2-CG 3.24Å; D228-R267 PolarHBondContact OD2-N 3.02Å; Q230-R267 PolarHBondContact OE1-O 3.25Å; R267-R269 PolarHBondContact O-N 3.3Å; R267-R269 VanDerWaalsContact O-N 3.09Å
268P77.7Confident84.9Confident82 Ų8249.5 Ų49.553%0.53228%0.282SS..PPolyproline II helixtrans-54.3118.9-17822.2-32.4000112.5D262 D264D262-P268 HydrophobicContact CB-CB 4.04Å; D262-P268 WeakPolarHBondContact OD2-CA 3.32Å; D264-P268 WeakPolarHBondContact O-CB 3.21Å; D264-P268 VanDerWaalsContact O-CD 3.25Å; D264-P268 WeakPolarHBondContact O-CD 3.06Å
269R84.4Confident84.9Confident73 Ų7351.1 Ų51.128%0.27529%0.29SS..PPolyproline II helixtrans-83.4170.8-177.7-80162.9172.6173.2-2.3112.7D262 R267 E318 L319D262-R269 WeakPolarHBondContact OD2-CB 3.27Å; D262-R269 PolarHBondContact OD2-N 2.92Å; R267-R269 PolarHBondContact O-N 3.3Å; R267-R269 VanDerWaalsContact O-N 3.09Å; R269-E318 HydrophobicContact CB-CG 3.92Å; R269-E318 WeakPolarHBondContact CD-OE1 3.2Å; R269-E318 IonicContact CZ-OE1 3.18Å; R269-E318 IonicContact CZ-OE2 3.88Å; R269-E318 IonicContact NE-OE1 3.58Å; R269-E318 IonicContact NH1-OE1 3.79Å; R269-E318 PolarHBondContact NH1-OE1 3.29Å; R269-E318 IonicContact NH1-OE2 2.74Å; R269-E318 PolarHBondContact NH1-OE2 3.08Å; R269-L319 WeakPolarHBondContact CB-O 3.27Å; R269-L319 VanDerWaalsContact CD-O 3.3Å; R269-L319 WeakPolarHBondContact CD-O 3.26Å; R269-L319 WeakPolarHBondContact CG-O 3.33Å
270G87Confident84.7Confident46 Ų4651.5 Ų51.547%0.47429%0.293SS..EExtended strand (participates in β ladder)trans-76.8148.1170.100000111.1L319G270-L319 WeakPolarHBondContact O-CB 3.5Å; G270-L319 VanDerWaalsContact O-CG 3.27Å; G270-L319 WeakPolarHBondContact O-CG 3.38Å; G270-L319 PolarHBondContact O-N 2.68Å
271I91.3Very high84.4Confident10 Ų1056.5 Ų56.55%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-104.7133.3175.2-50.3-52.9000110.2P234 A260 D262 Y273 T317 E318P234-I271 HydrophobicContact CB-CD1 3.53Å; P234-I271 HydrophobicContact CB-CG1 4.26Å; P234-I271 HydrophobicContact CG-CD1 4.22Å; A260-I271 HydrophobicContact CB-CG1 4.34Å; A260-I271 HydrophobicContact CB-CG2 4.09Å; D262-I271 HydrophobicContact CB-CD1 4.2Å; I271-Y273 HydrophobicContact CB-CE2 4.33Å; I271-Y273 HydrophobicContact CG2-CE1 4.19Å; I271-Y273 VanDerWaalsContact O-CE2 3.31Å; I271-Y273 WeakPolarHBondContact O-CE2 3.09Å; I271-T317 CarbonylContact C-O 3.55Å; I271-T317 WeakPolarHBondContact CA-O 3.33Å; I271-E318 HydrophobicContact CD1-CB 4.12Å; I271-E318 HydrophobicContact CD1-CG 4.38Å
272G91.4Very high84.5Confident0 Ų057.4 Ų57.40%033%0.327CS..EExtended strand (participates in β ladder)trans-93.4129.117100000111.6Y288 T317G272-Y288 CarbonylContact C-O 3.38Å; G272-Y288 VanDerWaalsContact CA-O 3.3Å; G272-Y288 WeakPolarHBondContact CA-O 3.25Å; G272-T317 PolarHBondContact N-O 2.67Å; G272-T317 PolarHBondContact O-N 3.49Å
273Y92.6Very high84.6Confident16 Ų1657 Ų576%0.06333%0.325CS..EExtended strand (participates in β ladder)trans-106.1129.7-174.4-59.2-84.9000112.3F236 A260 I271 Y288 K315F236-Y273 HydrophobicContact CE1-CD1 4.27Å; F236-Y273 HydrophobicContact CE1-CE1 4.14Å; A260-Y273 HydrophobicContact CB-CE1 4.02Å; A260-Y273 PolarHBondContact N-OH 3.15Å; A260-Y273 PolarHBondContact O-OH 3Å; I271-Y273 HydrophobicContact CB-CE2 4.33Å; I271-Y273 HydrophobicContact CG2-CE1 4.19Å; I271-Y273 VanDerWaalsContact O-CE2 3.31Å; I271-Y273 WeakPolarHBondContact O-CE2 3.09Å; Y273-Y288 PolarHBondContact N-O 2.79Å; Y273-Y288 VanDerWaalsContact O-CD2 3.31Å; Y273-Y288 WeakPolarHBondContact O-CD2 3.45Å; Y273-K315 WeakPolarHBondContact CA-O 3.32Å
274T91.2Very high84.9Confident54 Ų5453.5 Ų53.533%0.33131%0.309SS..EExtended strand (participates in β ladder)trans-137153.8176.8540000111.9Y288 V314 K315T274-Y288 HydrophobicContact CG2-CD2 3.9Å; T274-Y288 HydrophobicContact CG2-CE2 3.83Å; T274-V314 CarbonylContact O-C 3.29Å; T274-V314 WeakPolarHBondContact O-CA 3.32Å; T274-K315 PolarHBondContact N-O 3.14Å; T274-K315 PolarHBondContact O-N 2.89Å
275I90.1Very high85.3Confident46 Ų4655 Ų5524%0.23632%0.322CS..EExtended strand (participates in β ladder)trans-93.4128.1170.6-55.5171.6000108.2S277 N279 L286 L293 L312 V314I275-S277 WeakPolarHBondContact CG2-O 3.29Å; I275-N279 HydrophobicContact CD1-CB 4.2Å; I275-N279 WeakPolarHBondContact CD1-ND2 3.41Å; I275-N279 HydrophobicContact CG2-CB 3.94Å; I275-L286 HydrophobicContact CD1-CB 3.92Å; I275-L286 HydrophobicContact CG1-CB 3.82Å; I275-L286 HydrophobicContact CG1-CD2 3.83Å; I275-L293 HydrophobicContact CD1-CD1 4.04Å; I275-L312 HydrophobicContact CD1-CD1 4.49Å; I275-V314 HydrophobicContact CG1-CG1 4.32Å
276V87.7Confident86.1Confident88 Ų8850.5 Ų50.553%0.53330%0.304SS..EExtended strand (participates in β ladder)trans-91.2-41.2178.4-173.80000111T313 K315V276-T313 HydrophobicContact CB-CG2 4.1Å; V276-T313 HydrophobicContact CG2-CG2 4.44Å; V276-T313 PolarHBondContact N-O 2.88Å; V276-K315 HydrophobicContact CG2-CB 3.55Å
277S86.5Confident86.9Confident58 Ų5852.5 Ų52.541%0.40631%0.305SS..EExtended strand (participates in β ladder)trans-161.3172.9-177.969.70000112.5I275 N279 T313I275-S277 WeakPolarHBondContact CG2-O 3.29Å; S277-N279 PolarHBondContact O-N 3.36Å; S277-T313 PolarHBondContact N-O 2.9Å; S277-T313 PolarHBondContact O-N 2.85Å; S277-T313 VanDerWaalsContact OG-CB 3.25Å; S277-T313 WeakPolarHBondContact OG-CB 3.23Å; S277-T313 PolarHBondContact OG-OG1 2.92Å
278G83Confident87.5Confident33 Ų3348 Ų4834%0.3429%0.289SS..  trans89.2-14.4174.800000116T280 L312G278-T280 VanDerWaalsContact C-N 3.33Å; G278-T280 PolarHBondContact O-N 2.81Å; G278-L312 WeakPolarHBondContact O-CD2 3.25Å
279N86.3Confident88.1Confident33 Ų3348.6 Ų48.618%0.17629%0.287CS..  trans-8470.2-177.9-17317.4000112.4I275 S277 N281 S282 I283 F284 L312I275-N279 HydrophobicContact CD1-CB 4.2Å; I275-N279 WeakPolarHBondContact CD1-ND2 3.41Å; I275-N279 HydrophobicContact CG2-CB 3.94Å; S277-N279 PolarHBondContact O-N 3.36Å; N279-N281 PolarHBondContact O-N 2.9Å; N279-S282 PolarHBondContact O-N 3.12Å; N279-S282 WeakPolarHBondContact OD1-CA 3.36Å; N279-I283 PolarHBondContact OD1-N 2.86Å; N279-I283 VanDerWaalsContact OD1-N 3.1Å; N279-F284 PolarHBondContact ND2-O 2.92Å; N279-F284 PolarHBondContact OD1-N 2.87Å; N279-L312 HydrophobicContact CB-CD2 3.96Å
280T79.6Confident88.3Confident53 Ų5348.1 Ų48.133%0.32530%0.295SS..G310 helixtrans-52.1133177.3-54.20000111.1G278 S282 I283 L305 Y306G278-T280 VanDerWaalsContact C-N 3.33Å; G278-T280 PolarHBondContact O-N 2.81Å; T280-S282 PolarHBondContact O-N 2.97Å; T280-I283 WeakPolarHBondContact O-CG2 3.48Å; T280-I283 PolarHBondContact O-N 3.15Å; T280-L305 HydrophobicContact CG2-CB 4.17Å; T280-L305 HydrophobicContact CG2-CD1 4.43Å; T280-L305 HydrophobicContact CG2-CD2 4.45Å; T280-Y306 HydrophobicContact CG2-CE1 4.32Å
281N81Confident88.4Confident110 Ų11046 Ų4659%0.58827%0.272SS*.G310 helixtrans54.613.2-175.7-60.8-17.8000116N279 I283 L305 Y306N279-N281 PolarHBondContact O-N 2.9Å; N281-I283 PolarHBondContact O-N 2.83Å; N281-L305 WeakPolarHBondContact ND2-CD1 3.47Å; N281-Y306 WeakPolarHBondContact CB-OH 3.3Å; N281-Y306 PolarHBondContact ND2-OH 3.34Å
282S86.5Confident88.3Confident75 Ų7546.2 Ų46.252%0.52428%0.276SS..G310 helixtrans56.135.6-173-57.40000113.7N279 T280 F284 N296N279-S282 PolarHBondContact O-N 3.12Å; N279-S282 WeakPolarHBondContact OD1-CA 3.36Å; T280-S282 PolarHBondContact O-N 2.97Å; S282-F284 PolarHBondContact O-N 2.88Å; S282-N296 PolarHBondContact O-ND2 3.47Å
283I87.7Confident88.2Confident4 Ų446.2 Ų46.22%0.02128%0.276CS..  trans-66.2-21.6-177.8-169.3162.1000113.6N279 T280 N281 L295 N296 G297 L298 L299 Y306 F310N279-I283 PolarHBondContact OD1-N 2.86Å; N279-I283 VanDerWaalsContact OD1-N 3.1Å; T280-I283 WeakPolarHBondContact O-CG2 3.48Å; T280-I283 PolarHBondContact O-N 3.15Å; N281-I283 PolarHBondContact O-N 2.83Å; I283-L295 HydrophobicContact CG1-CD1 3.87Å; I283-N296 WeakPolarHBondContact O-CA 3.35Å; I283-N296 WeakPolarHBondContact O-CB 3.47Å; I283-N296 PolarHBondContact O-N 2.97Å; I283-G297 PolarHBondContact O-N 2.91Å; I283-L298 WeakPolarHBondContact CD1-O 3.37Å; I283-L299 HydrophobicContact CD1-CD2 3.59Å; I283-L299 HydrophobicContact CD1-CG 4.06Å; I283-L299 HydrophobicContact CG1-CD2 4.45Å; I283-Y306 HydrophobicContact CD1-CD1 4.42Å; I283-Y306 HydrophobicContact CD1-CD2 4.24Å; I283-Y306 HydrophobicContact CD1-CE1 3.94Å; I283-Y306 HydrophobicContact CD1-CE2 3.77Å; I283-Y306 HydrophobicContact CG2-CE1 4.46Å; I283-F310 HydrophobicContact CD1-CZ 4.33Å; I283-F310 HydrophobicContact CG2-CD1 4.36Å; I283-F310 HydrophobicContact CG2-CE1 3.55Å; I283-F310 HydrophobicContact CG2-CZ 3.74Å
284F90.6Very high88.1Confident4 Ų447.2 Ų47.22%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-108.1144.4168.7-56.3-74.9000112.3V255 N279 S282 L293 T294 L295 F310 L312 I336V255-F284 HydrophobicContact CG1-CE1 4.36Å; V255-F284 HydrophobicContact CG2-CD1 3.89Å; V255-F284 HydrophobicContact CG2-CE1 3.9Å; N279-F284 PolarHBondContact ND2-O 2.92Å; N279-F284 PolarHBondContact OD1-N 2.87Å; S282-F284 PolarHBondContact O-N 2.88Å; F284-L293 HydrophobicContact CB-CD1 3.77Å; F284-L293 HydrophobicContact CB-CD2 4.27Å; F284-L293 HydrophobicContact CB-CG 4.05Å; F284-L293 HydrophobicContact CD1-CD2 4.06Å; F284-L293 HydrophobicContact CD1-CG 4.34Å; F284-L293 HydrophobicContact CG-CD1 4.49Å; F284-L293 HydrophobicContact CG-CD2 4.11Å; F284-L293 HydrophobicContact CG-CG 4.37Å; F284-T294 CarbonylContact C-O 3.57Å; F284-T294 WeakPolarHBondContact CA-O 3.31Å; F284-L295 HydrophobicContact CD1-CD1 4.39Å; F284-L295 HydrophobicContact CE1-CD1 4.18Å; F284-F310 HydrophobicContact CE2-CB 4.04Å; F284-F310 AromaticContact CE2-CD1 3.83Å; F284-F310 HydrophobicContact CE2-CD1 3.83Å; F284-F310 AromaticContact CE2-CD2 3.58Å; F284-F310 HydrophobicContact CE2-CD2 3.58Å; F284-F310 HydrophobicContact CE2-CE1 4.06Å; F284-F310 AromaticContact CE2-CE2 3.85Å; F284-F310 HydrophobicContact CE2-CE2 3.85Å; F284-F310 AromaticContact CE2-CG 3.56Å; F284-F310 HydrophobicContact CE2-CG 3.56Å; F284-F310 HydrophobicContact CE2-CZ 4.06Å; F284-F310 AromaticContact CZ-CD2 3.74Å; F284-F310 HydrophobicContact CZ-CD2 3.74Å; F284-F310 AromaticContact CZ-CE2 3.86Å; F284-F310 HydrophobicContact CZ-CE2 3.86Å; F284-F310 HydrophobicContact CZ-CG 4.21Å; F284-F310 HydrophobicContact CZ-CZ 4.38Å; F284-L312 HydrophobicContact CB-CD1 4.39Å; F284-L312 HydrophobicContact CD2-CD1 3.86Å; F284-L312 HydrophobicContact CD2-CD2 4.2Å; F284-L312 HydrophobicContact CE2-CD1 4.49Å; F284-L312 HydrophobicContact CG-CD1 4.24Å; F284-I336 HydrophobicContact CD1-CD1 4.47Å; F284-I336 HydrophobicContact CD2-CD1 4.29Å; F284-I336 HydrophobicContact CE1-CD1 4.1Å; F284-I336 HydrophobicContact CE2-CD1 3.89Å; F284-I336 HydrophobicContact CZ-CD1 3.79Å; F284-I336 HydrophobicContact CZ-CG2 4.06Å
285A90.6Very high88.1Confident35 Ų3544.7 Ų44.729%0.28927%0.268SS..EExtended strand (participates in β ladder)trans-113.6120.9167.600000109.5T294 N296A285-T294 PolarHBondContact N-O 2.76Å; A285-T294 PolarHBondContact O-N 2.92Å; A285-T294 PolarHBondContact O-OG1 3.07Å; A285-N296 HydrophobicContact CB-CB 3.96Å
286L91.7Very high88Confident27 Ų2747.2 Ų47.214%0.14128%0.282CS..EExtended strand (participates in β ladder)trans-96.4116173.2-176.555.3000108.7I258 I275 Y288 G291 L293 V314I258-L286 HydrophobicContact CD1-CD1 3.97Å; I258-L286 HydrophobicContact CD1-CD2 4.35Å; I258-L286 HydrophobicContact CG1-CD1 4.39Å; I275-L286 HydrophobicContact CD1-CB 3.92Å; I275-L286 HydrophobicContact CG1-CB 3.82Å; I275-L286 HydrophobicContact CG1-CD2 3.83Å; L286-Y288 PolarHBondContact O-N 3.26Å; L286-G291 WeakPolarHBondContact CD1-O 3.36Å; L286-L293 HydrophobicContact CB-CD1 3.8Å; L286-L293 HydrophobicContact CD1-CB 4.18Å; L286-L293 HydrophobicContact CD1-CD1 4.11Å; L286-L293 HydrophobicContact CG-CD1 4.44Å; L286-V314 HydrophobicContact CD2-CB 4.39Å; L286-V314 HydrophobicContact CD2-CG1 4.04Å
287D91.2Very high87.7Confident78 Ų7844.2 Ų44.242%0.41727%0.269SS..  trans-69.3128.4175.3176.267.5000110.9I289 S290 G291 A292D287-I289 VanDerWaalsContact C-N 3.25Å; D287-I289 PolarHBondContact O-N 2.77Å; D287-I289 PolarHBondContact OD2-N 3.04Å; D287-S290 WeakPolarHBondContact CB-OG 3.49Å; D287-S290 VanDerWaalsContact CG-OG 3.31Å; D287-S290 VanDerWaalsContact OD2-CB 3.29Å; D287-S290 WeakPolarHBondContact OD2-CB 3.47Å; D287-S290 PolarHBondContact OD2-N 2.82Å; D287-S290 PolarHBondContact OD2-OG 3.08Å; D287-G291 WeakPolarHBondContact O-CA 3.21Å; D287-G291 PolarHBondContact O-N 2.88Å; D287-G291 VanDerWaalsContact O-N 3.11Å; D287-A292 HydrophobicContact CB-CB 4.49Å; D287-A292 PolarHBondContact N-O 3.25Å
288Y90.4Very high87.5Confident84 Ų8447.6 Ų47.633%0.32928%0.282SS..THydrogen-bonded Turntrans-64.1-24.9-168.4-176.3-107.6000114G272 Y273 T274 L286 L319G272-Y288 CarbonylContact C-O 3.38Å; G272-Y288 VanDerWaalsContact CA-O 3.3Å; G272-Y288 WeakPolarHBondContact CA-O 3.25Å; Y273-Y288 PolarHBondContact N-O 2.79Å; Y273-Y288 VanDerWaalsContact O-CD2 3.31Å; Y273-Y288 WeakPolarHBondContact O-CD2 3.45Å; T274-Y288 HydrophobicContact CG2-CD2 3.9Å; T274-Y288 HydrophobicContact CG2-CE2 3.83Å; L286-Y288 PolarHBondContact O-N 3.26Å; Y288-L319 HydrophobicContact CE1-CD1 4.38Å; Y288-L319 HydrophobicContact CE1-CD2 4.39Å; Y288-L319 WeakPolarHBondContact OH-CD2 3.39Å
289I88.8Confident87.5Confident93 Ų9346.6 Ų46.648%0.47727%0.268SS..THydrogen-bonded Turntrans-111.9-40.9-172.9-59.2-180000112D287D287-I289 VanDerWaalsContact C-N 3.25Å; D287-I289 PolarHBondContact O-N 2.77Å; D287-I289 PolarHBondContact OD2-N 3.04Å
290S88.9Confident87.3Confident64 Ų6448 Ų4845%0.44828%0.276SS..THydrogen-bonded Turntrans-84.1-14.7-179.964.60000113.7V257 D287 A292V257-S290 WeakPolarHBondContact CG1-O 3.34Å; D287-S290 WeakPolarHBondContact CB-OG 3.49Å; D287-S290 VanDerWaalsContact CG-OG 3.31Å; D287-S290 VanDerWaalsContact OD2-CB 3.29Å; D287-S290 WeakPolarHBondContact OD2-CB 3.47Å; D287-S290 PolarHBondContact OD2-N 2.82Å; D287-S290 PolarHBondContact OD2-OG 3.08Å; S290-A292 PolarHBondContact O-N 3.25Å; S290-A292 WeakPolarHBondContact OG-CB 3.34Å; S290-A292 PolarHBondContact OG-N 3.35Å
291G88.7Confident87.3Confident0 Ų047.3 Ų47.30%027%0.267CS..  trans66.710.6-17500000113.7I258 L286 D287 L293I258-G291 PolarHBondContact N-O 2.89Å; I258-G291 WeakPolarHBondContact O-CA 3.43Å; L286-G291 WeakPolarHBondContact CD1-O 3.36Å; D287-G291 WeakPolarHBondContact O-CA 3.21Å; D287-G291 PolarHBondContact O-N 2.88Å; D287-G291 VanDerWaalsContact O-N 3.11Å; G291-L293 PolarHBondContact O-N 2.81Å; G291-L293 VanDerWaalsContact O-N 3.17Å
292A89.6Confident87.3Confident16 Ų1644.4 Ų44.413%0.13225%0.25CS..EExtended strand (participates in β ladder)trans-68.9110.8176.400000110.1T254 V257 D287 S290T254-A292 HydrophobicContact CG2-CB 4.41Å; V257-A292 HydrophobicContact CG2-CB 4.4Å; D287-A292 HydrophobicContact CB-CB 4.49Å; D287-A292 PolarHBondContact N-O 3.25Å; S290-A292 PolarHBondContact O-N 3.25Å; S290-A292 WeakPolarHBondContact OG-CB 3.34Å; S290-A292 PolarHBondContact OG-N 3.35Å
293L90.3Very high86.7Confident0 Ų042.8 Ų42.80%024%0.236CC..EExtended strand (participates in β ladder)trans-80118.3165.4-16678.2000108.1T254 V255 R256 I258 I275 F284 L286 G291 L312 F334 I336T254-L293 CarbonylContact C-O 3.59Å; V255-L293 HydrophobicContact CB-CD2 4.24Å; V255-L293 HydrophobicContact CG1-CD2 4.39Å; V255-L293 PolarHBondContact N-O 3.02Å; R256-L293 PolarHBondContact N-O 2.9Å; R256-L293 PolarHBondContact O-N 3.46Å; I258-L293 HydrophobicContact CD1-CB 4.43Å; I275-L293 HydrophobicContact CD1-CD1 4.04Å; F284-L293 HydrophobicContact CB-CD1 3.77Å; F284-L293 HydrophobicContact CB-CD2 4.27Å; F284-L293 HydrophobicContact CB-CG 4.05Å; F284-L293 HydrophobicContact CD1-CD2 4.06Å; F284-L293 HydrophobicContact CD1-CG 4.34Å; F284-L293 HydrophobicContact CG-CD1 4.49Å; F284-L293 HydrophobicContact CG-CD2 4.11Å; F284-L293 HydrophobicContact CG-CG 4.37Å; L286-L293 HydrophobicContact CB-CD1 3.8Å; L286-L293 HydrophobicContact CD1-CB 4.18Å; L286-L293 HydrophobicContact CD1-CD1 4.11Å; L286-L293 HydrophobicContact CG-CD1 4.44Å; G291-L293 PolarHBondContact O-N 2.81Å; G291-L293 VanDerWaalsContact O-N 3.17Å; L293-L312 HydrophobicContact CD1-CD1 4.03Å; L293-L312 HydrophobicContact CD2-CD1 3.65Å; L293-F334 HydrophobicContact CB-CE1 4.43Å; L293-F334 HydrophobicContact CD2-CD1 3.9Å; L293-F334 HydrophobicContact CD2-CE1 3.49Å; L293-F334 VanDerWaalsContact CD2-CE1 3.49Å; L293-I336 HydrophobicContact CD2-CD1 3.46Å; L293-I336 VanDerWaalsContact CD2-CD1 3.46Å
294T90.4Very high85.8Confident36 Ų3648 Ų4822%0.22127%0.27CS..EExtended strand (participates in β ladder)trans-117.4148.8179.855.50000110.2T253 F284 A285T253-T294 CarbonylContact O-C 3.2Å; T253-T294 WeakPolarHBondContact O-CA 3.16Å; F284-T294 CarbonylContact C-O 3.57Å; F284-T294 WeakPolarHBondContact CA-O 3.31Å; A285-T294 PolarHBondContact N-O 2.76Å; A285-T294 PolarHBondContact O-N 2.92Å; A285-T294 PolarHBondContact O-OG1 3.07Å
295L89.6Confident84.6Confident2 Ų252.3 Ų52.31%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-75.2127173.3179.661000109.8I245 S249 G252 T253 V255 I283 F284 G297 L299I245-L295 HydrophobicContact CD1-CD2 4.25Å; S249-L295 WeakPolarHBondContact O-CD2 3.36Å; G252-L295 PolarHBondContact N-O 3.37Å; T253-L295 PolarHBondContact O-N 3.19Å; V255-L295 HydrophobicContact CG2-CB 4.23Å; I283-L295 HydrophobicContact CG1-CD1 3.87Å; F284-L295 HydrophobicContact CD1-CD1 4.39Å; F284-L295 HydrophobicContact CE1-CD1 4.18Å; L295-G297 WeakPolarHBondContact CD1-O 3.25Å; L295-G297 WeakPolarHBondContact CG-O 3.34Å; L295-L299 HydrophobicContact CD1-CD1 3.91Å; L295-L299 HydrophobicContact CD1-CG 3.79Å; L295-L299 HydrophobicContact CD2-CD1 4.06Å; L295-L299 HydrophobicContact CD2-CG 4.32Å
296N88.2Confident83.9Confident99 Ų9951.6 Ų51.653%0.52928%0.283SS..  trans-113.2-22.6-172.5-179.458.4000113S282 I283 A285S282-N296 PolarHBondContact O-ND2 3.47Å; I283-N296 WeakPolarHBondContact O-CA 3.35Å; I283-N296 WeakPolarHBondContact O-CB 3.47Å; I283-N296 PolarHBondContact O-N 2.97Å; A285-N296 HydrophobicContact CB-CB 3.96Å
297G83.1Confident82.7Confident24 Ų2452 Ų5225%0.24729%0.288CS..SBendtrans-112.7-174.5168.900000112.3I283 L295I283-G297 PolarHBondContact O-N 2.91Å; L295-G297 WeakPolarHBondContact CD1-O 3.25Å; L295-G297 WeakPolarHBondContact CG-O 3.34Å
298L81.8Confident81.5Confident130 Ų13056.3 Ų56.368%0.68131%0.305SS*.  trans-81.1139.2162.2-65.8170.4000108.5P251 I283P251-L298 HydrophobicContact CG-CD2 3.98Å; I283-L298 WeakPolarHBondContact CD1-O 3.37Å
299L83.6Confident80.9Confident12 Ų1253 Ų536%0.06330%0.297CS..  trans-87.5153.4161.5-76.8164.4000109I245 E247 I283 L295 F310 V338I245-L299 HydrophobicContact CD1-CD1 4.04Å; I245-L299 HydrophobicContact CG1-CD1 4.09Å; I245-L299 HydrophobicContact CG2-CD1 3.76Å; E247-L299 HydrophobicContact CB-CB 3.98Å; E247-L299 WeakPolarHBondContact O-CB 3.38Å; I283-L299 HydrophobicContact CD1-CD2 3.59Å; I283-L299 HydrophobicContact CD1-CG 4.06Å; I283-L299 HydrophobicContact CG1-CD2 4.45Å; L295-L299 HydrophobicContact CD1-CD1 3.91Å; L295-L299 HydrophobicContact CD1-CG 3.79Å; L295-L299 HydrophobicContact CD2-CD1 4.06Å; L295-L299 HydrophobicContact CD2-CG 4.32Å; L299-F310 HydrophobicContact CD2-CE2 3.58Å; L299-F310 HydrophobicContact CD2-CZ 3.81Å; L299-V338 HydrophobicContact CD2-CG2 4.03Å
300D80.5Confident80.6Confident63 Ų6348.9 Ų48.934%0.33728%0.275SS..  trans-165.8105.8-169.2142.318.2000101.6E302 N303 Y306D300-E302 VanDerWaalsContact C-N 3.35Å; D300-E302 PolarHBondContact OD1-N 3.18Å; D300-N303 HydrophobicContact CB-CB 4.47Å; D300-N303 VanDerWaalsContact O-CB 3.25Å; D300-N303 WeakPolarHBondContact O-CB 3.06Å; D300-N303 WeakPolarHBondContact OD1-CB 3.3Å; D300-N303 PolarHBondContact OD1-N 2.92Å; D300-N303 WeakPolarHBondContact OD2-CB 3.41Å; D300-N303 PolarHBondContact OD2-ND2 2.83Å; D300-Y306 WeakPolarHBondContact O-CD2 3.48Å
301R81.2Confident80.3Confident37 Ų3751 Ų5114%0.1428%0.28CS..SBendtrans-77.2-28.4-171.4-170.6176.4-176.1-161.4-7.6111E247 N303 S307 V338 D340 E378E247-R301 WeakPolarHBondContact OE2-CA 3.14Å; E247-R301 WeakPolarHBondContact OE2-CB 3.07Å; E247-R301 PolarHBondContact OE2-N 3.13Å; R301-N303 PolarHBondContact O-N 2.97Å; R301-S307 WeakPolarHBondContact O-CA 3.46Å; R301-S307 WeakPolarHBondContact O-CB 3.39Å; R301-S307 PolarHBondContact O-N 3.14Å; R301-V338 HydrophobicContact CB-CG1 3.94Å; R301-V338 HydrophobicContact CG-CB 4.36Å; R301-V338 HydrophobicContact CG-CG1 4.12Å; R301-D340 VanDerWaalsContact NH1-CB 3.35Å; R301-D340 IonicContact NH1-OD1 3.91Å; R301-D340 PolarHBondContact NH1-OD1 3.48Å; R301-E378 IonicContact CZ-OE1 3.27Å; R301-E378 IonicContact CZ-OE2 2.63Å; R301-E378 IonicContact NH1-OE1 2.64Å; R301-E378 PolarHBondContact NH1-OE1 3.24Å; R301-E378 IonicContact NH1-OE2 3.78Å; R301-E378 PolarHBondContact NH1-OE2 2.95Å; R301-E378 IonicContact NH2-OE1 3.78Å; R301-E378 PolarHBondContact NH2-OE1 2.9Å; R301-E378 IonicContact NH2-OE2 3.71Å
302E79.3Confident80.1Confident50 Ų5051 Ų5123%0.23428%0.28CS..SBendtrans-63.7-24.6177.5-70.460.7-98.400110.8D300 P304 N344 K376D300-E302 VanDerWaalsContact C-N 3.35Å; D300-E302 PolarHBondContact OD1-N 3.18Å; E302-P304 WeakPolarHBondContact O-CD 3.12Å; E302-N344 PolarHBondContact OE2-ND2 2.81Å; E302-N344 VanDerWaalsContact OE2-ND2 3.08Å; E302-K376 HydrophobicContact CB-CB 4.45Å; E302-K376 HydrophobicContact CG-CB 3.47Å; E302-K376 VanDerWaalsContact CG-CB 3.47Å; E302-K376 WeakPolarHBondContact CG-O 3.22Å
303N74.2Confident79.8Confident41 Ų4151.9 Ų51.922%0.21928%0.284CS..SBendtrans-55.3118.2169.9-144-67.9000111.6D300 R301 L305 Y306 S307D300-N303 HydrophobicContact CB-CB 4.47Å; D300-N303 VanDerWaalsContact O-CB 3.25Å; D300-N303 WeakPolarHBondContact O-CB 3.06Å; D300-N303 WeakPolarHBondContact OD1-CB 3.3Å; D300-N303 PolarHBondContact OD1-N 2.92Å; D300-N303 WeakPolarHBondContact OD2-CB 3.41Å; D300-N303 PolarHBondContact OD2-ND2 2.83Å; R301-N303 PolarHBondContact O-N 2.97Å; N303-L305 PolarHBondContact O-N 3.01Å; N303-L305 WeakPolarHBondContact OD1-CB 3.47Å; N303-L305 PolarHBondContact OD1-N 2.65Å; N303-Y306 HydrophobicContact CB-CD2 3.45Å; N303-Y306 VanDerWaalsContact CB-CD2 3.45Å; N303-Y306 HydrophobicContact CB-CE2 4.11Å; N303-Y306 HydrophobicContact CB-CG 4.04Å; N303-Y306 PolarHBondContact O-N 2.98Å; N303-S307 PolarHBondContact O-N 2.99Å
304P68.2Low79.8Confident114 Ų11451.9 Ų51.974%0.7428%0.284SS*.THydrogen-bonded Turntrans-62.8-10.9178.3-2536.2000114.5E302E302-P304 WeakPolarHBondContact O-CD 3.12Å
305L66.1Low79.8Confident93 Ų9353.1 Ų53.149%0.48729%0.287SS..THydrogen-bonded Turntrans-82.1-17.1173.2-61.8178.4000113.8T280 N281 N303T280-L305 HydrophobicContact CG2-CB 4.17Å; T280-L305 HydrophobicContact CG2-CD1 4.43Å; T280-L305 HydrophobicContact CG2-CD2 4.45Å; N281-L305 WeakPolarHBondContact ND2-CD1 3.47Å; N303-L305 PolarHBondContact O-N 3.01Å; N303-L305 WeakPolarHBondContact OD1-CB 3.47Å; N303-L305 PolarHBondContact OD1-N 2.65Å
306Y75.4Confident79.8Confident21 Ų2153 Ų538%0.08229%0.286CS..THydrogen-bonded Turntrans-126.8-22.1-167.8-52.9-33.4000113.6T280 N281 I283 D300 N303 H308 G309 F310T280-Y306 HydrophobicContact CG2-CE1 4.32Å; N281-Y306 WeakPolarHBondContact CB-OH 3.3Å; N281-Y306 PolarHBondContact ND2-OH 3.34Å; I283-Y306 HydrophobicContact CD1-CD1 4.42Å; I283-Y306 HydrophobicContact CD1-CD2 4.24Å; I283-Y306 HydrophobicContact CD1-CE1 3.94Å; I283-Y306 HydrophobicContact CD1-CE2 3.77Å; I283-Y306 HydrophobicContact CG2-CE1 4.46Å; D300-Y306 WeakPolarHBondContact O-CD2 3.48Å; N303-Y306 HydrophobicContact CB-CD2 3.45Å; N303-Y306 VanDerWaalsContact CB-CD2 3.45Å; N303-Y306 HydrophobicContact CB-CE2 4.11Å; N303-Y306 HydrophobicContact CB-CG 4.04Å; N303-Y306 PolarHBondContact O-N 2.98Å; Y306-H308 PolarHBondContact O-N 2.62Å; Y306-G309 PolarHBondContact O-N 2.98Å; Y306-F310 AromaticContact CD1-CE1 3.47Å; Y306-F310 HydrophobicContact CD1-CE1 3.47Å; Y306-F310 VanDerWaalsContact CD1-CE1 3.47Å; Y306-F310 HydrophobicContact CD1-CE2 4.38Å; Y306-F310 AromaticContact CD1-CZ 3.23Å; Y306-F310 HydrophobicContact CD1-CZ 3.23Å; Y306-F310 AromaticContact CE1-CE1 3.91Å; Y306-F310 HydrophobicContact CE1-CE1 3.91Å; Y306-F310 AromaticContact CE1-CZ 3.9Å; Y306-F310 HydrophobicContact CE1-CZ 3.9Å; Y306-F310 HydrophobicContact CG-CE1 4.41Å; Y306-F310 AromaticContact CG-CZ 3.76Å; Y306-F310 HydrophobicContact CG-CZ 3.76Å
307S66.2Low79.9Confident36 Ų3649 Ų4925%0.25227%0.265SS..THydrogen-bonded Turntrans-51.1-30.8-175.260.60000116.5R301 N303 G309R301-S307 WeakPolarHBondContact O-CA 3.46Å; R301-S307 WeakPolarHBondContact O-CB 3.39Å; R301-S307 PolarHBondContact O-N 3.14Å; N303-S307 PolarHBondContact O-N 2.99Å; S307-G309 VanDerWaalsContact C-N 3.34Å
308H67.8Low80.3Confident167 Ų16748 Ų4877%0.77325%0.254SS*.THydrogen-bonded Turntrans-88.62.8-179.7-65.758000113.5Y306Y306-H308 PolarHBondContact O-N 2.62Å
309G77.2Confident80.6Confident15 Ų1542.4 Ų42.416%0.15523%0.225CC..  trans72.1-165-166.400000112.9Y306 S307 I336Y306-G309 PolarHBondContact O-N 2.98Å; S307-G309 VanDerWaalsContact C-N 3.34Å; G309-I336 CarbonylContact C-O 3.58Å; G309-I336 WeakPolarHBondContact CA-O 3.47Å
310F82.5Confident80.7Confident6 Ų644.3 Ų44.33%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-134.6131.6-174.7-53.6-102.7000111.9I283 F284 L299 Y306 L312 N335 I336 V338I283-F310 HydrophobicContact CD1-CZ 4.33Å; I283-F310 HydrophobicContact CG2-CD1 4.36Å; I283-F310 HydrophobicContact CG2-CE1 3.55Å; I283-F310 HydrophobicContact CG2-CZ 3.74Å; F284-F310 HydrophobicContact CE2-CB 4.04Å; F284-F310 AromaticContact CE2-CD1 3.83Å; F284-F310 HydrophobicContact CE2-CD1 3.83Å; F284-F310 AromaticContact CE2-CD2 3.58Å; F284-F310 HydrophobicContact CE2-CD2 3.58Å; F284-F310 HydrophobicContact CE2-CE1 4.06Å; F284-F310 AromaticContact CE2-CE2 3.85Å; F284-F310 HydrophobicContact CE2-CE2 3.85Å; F284-F310 AromaticContact CE2-CG 3.56Å; F284-F310 HydrophobicContact CE2-CG 3.56Å; F284-F310 HydrophobicContact CE2-CZ 4.06Å; F284-F310 AromaticContact CZ-CD2 3.74Å; F284-F310 HydrophobicContact CZ-CD2 3.74Å; F284-F310 AromaticContact CZ-CE2 3.86Å; F284-F310 HydrophobicContact CZ-CE2 3.86Å; F284-F310 HydrophobicContact CZ-CG 4.21Å; F284-F310 HydrophobicContact CZ-CZ 4.38Å; L299-F310 HydrophobicContact CD2-CE2 3.58Å; L299-F310 HydrophobicContact CD2-CZ 3.81Å; Y306-F310 AromaticContact CD1-CE1 3.47Å; Y306-F310 HydrophobicContact CD1-CE1 3.47Å; Y306-F310 VanDerWaalsContact CD1-CE1 3.47Å; Y306-F310 HydrophobicContact CD1-CE2 4.38Å; Y306-F310 AromaticContact CD1-CZ 3.23Å; Y306-F310 HydrophobicContact CD1-CZ 3.23Å; Y306-F310 AromaticContact CE1-CE1 3.91Å; Y306-F310 HydrophobicContact CE1-CE1 3.91Å; Y306-F310 AromaticContact CE1-CZ 3.9Å; Y306-F310 HydrophobicContact CE1-CZ 3.9Å; Y306-F310 HydrophobicContact CG-CE1 4.41Å; Y306-F310 AromaticContact CG-CZ 3.76Å; Y306-F310 HydrophobicContact CG-CZ 3.76Å; F310-L312 HydrophobicContact CB-CD2 4.12Å; F310-L312 HydrophobicContact CB-CG 4.48Å; F310-N335 CarbonylContact O-C 3.6Å; F310-N335 WeakPolarHBondContact O-CA 3.37Å; F310-N335 PolarHBondContact O-OD1 3.33Å; F310-I336 HydrophobicContact CB-CB 4.36Å; F310-I336 PolarHBondContact N-O 3.38Å; F310-I336 PolarHBondContact O-N 2.72Å; F310-V338 HydrophobicContact CD2-CG2 4.41Å; F310-V338 HydrophobicContact CE2-CG2 3.95Å
311I81.5Confident80.7Confident108 Ų10848.4 Ų48.455%0.55426%0.257SS*.EExtended strand (participates in β ladder)trans-105.693.7169.4-58.3173.4000107.4T333I311-T333 HydrophobicContact CG2-CG2 4.27Å
312L85.3Confident81Confident0 Ų052.1 Ų52.10%028%0.279CS..EExtended strand (participates in β ladder)trans-81.6126.4178.3-55.7-171.5000109.8I275 G278 N279 F284 L293 F310 V314 T333 F334 I336I275-L312 HydrophobicContact CD1-CD1 4.49Å; G278-L312 WeakPolarHBondContact O-CD2 3.25Å; N279-L312 HydrophobicContact CB-CD2 3.96Å; F284-L312 HydrophobicContact CB-CD1 4.39Å; F284-L312 HydrophobicContact CD2-CD1 3.86Å; F284-L312 HydrophobicContact CD2-CD2 4.2Å; F284-L312 HydrophobicContact CE2-CD1 4.49Å; F284-L312 HydrophobicContact CG-CD1 4.24Å; L293-L312 HydrophobicContact CD1-CD1 4.03Å; L293-L312 HydrophobicContact CD2-CD1 3.65Å; F310-L312 HydrophobicContact CB-CD2 4.12Å; F310-L312 HydrophobicContact CB-CG 4.48Å; L312-V314 HydrophobicContact CB-CG1 4.24Å; L312-T333 CarbonylContact O-C 3.49Å; L312-T333 WeakPolarHBondContact O-CA 3.47Å; L312-F334 PolarHBondContact N-O 2.87Å; L312-F334 PolarHBondContact O-N 2.88Å; L312-I336 HydrophobicContact CD1-CD1 3.64Å; L312-I336 HydrophobicContact CG-CD1 4Å
313T83.9Confident81.1Confident35 Ų3558 Ų5822%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-87.3117.3165.1-52.90000107.5V276 S277V276-T313 HydrophobicContact CB-CG2 4.1Å; V276-T313 HydrophobicContact CG2-CG2 4.44Å; V276-T313 PolarHBondContact N-O 2.88Å; S277-T313 PolarHBondContact N-O 2.9Å; S277-T313 PolarHBondContact O-N 2.85Å; S277-T313 VanDerWaalsContact OG-CB 3.25Å; S277-T313 WeakPolarHBondContact OG-CB 3.23Å; S277-T313 PolarHBondContact OG-OG1 2.92Å
314V89.6Confident81.6Confident1 Ų158.9 Ų58.91%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-113.6145.6180-62.40000110.6F236 I258 T274 I275 L286 L312 T331 T332F236-V314 HydrophobicContact CE1-CG2 4.37Å; F236-V314 HydrophobicContact CZ-CG2 3.94Å; I258-V314 HydrophobicContact CD1-CB 4.41Å; I258-V314 HydrophobicContact CD1-CG1 3.92Å; I258-V314 HydrophobicContact CD1-CG2 4.17Å; I258-V314 HydrophobicContact CG2-CG2 4.34Å; T274-V314 CarbonylContact O-C 3.29Å; T274-V314 WeakPolarHBondContact O-CA 3.32Å; I275-V314 HydrophobicContact CG1-CG1 4.32Å; L286-V314 HydrophobicContact CD2-CB 4.39Å; L286-V314 HydrophobicContact CD2-CG1 4.04Å; L312-V314 HydrophobicContact CB-CG1 4.24Å; V314-T331 VanDerWaalsContact O-CA 3.29Å; V314-T331 WeakPolarHBondContact O-CA 3.32Å; V314-T332 HydrophobicContact CG2-CG2 3.73Å; V314-T332 PolarHBondContact N-O 3.1Å; V314-T332 PolarHBondContact O-N 3.4Å
315K89.8Confident82.5Confident62 Ų6257.1 Ų57.127%0.2730%0.295SS..EExtended strand (participates in β ladder)trans-118.9125.6-179.3-179.2172.1-174172.70110.1Y273 T274 V276 T317 T329 V330 T331Y273-K315 WeakPolarHBondContact CA-O 3.32Å; T274-K315 PolarHBondContact N-O 3.14Å; T274-K315 PolarHBondContact O-N 2.89Å; V276-K315 HydrophobicContact CG2-CB 3.55Å; K315-T317 WeakPolarHBondContact CE-OG1 3.25Å; K315-T329 VanDerWaalsContact CE-CG2 3.43Å; K315-T329 WeakPolarHBondContact CE-OG1 3.49Å; K315-T329 PolarHBondContact NZ-OG1 3Å; K315-V330 CarbonylContact C-O 3.58Å; K315-V330 VanDerWaalsContact CA-O 3.29Å; K315-V330 WeakPolarHBondContact CA-O 3.08Å; K315-T331 HydrophobicContact CB-CG2 3.98Å; K315-T331 HydrophobicContact CD-CG2 4.39Å; K315-T331 HydrophobicContact CG-CG2 4.03Å
316G90.8Very high83.4Confident0 Ų053.9 Ų53.90%028%0.28CS..EExtended strand (participates in β ladder)trans-92.4137.5161.800000109T329 V330G316-T329 CarbonylContact O-C 3.54Å; G316-T329 WeakPolarHBondContact O-CA 3.22Å; G316-T329 WeakPolarHBondContact O-CB 3.41Å; G316-V330 PolarHBondContact N-O 3.49Å; G316-V330 PolarHBondContact O-N 2.76Å
317T90.7Very high83.8Confident13 Ų1360.9 Ų60.98%0.0832%0.319CS..EExtended strand (participates in β ladder)trans-132.5126.2176.6-62.70000108.2I271 G272 K315 P325 T329I271-T317 CarbonylContact C-O 3.55Å; I271-T317 WeakPolarHBondContact CA-O 3.33Å; G272-T317 PolarHBondContact N-O 2.67Å; G272-T317 PolarHBondContact O-N 3.49Å; K315-T317 WeakPolarHBondContact CE-OG1 3.25Å; T317-P325 HydrophobicContact CG2-CB 3.39Å; T317-T329 HydrophobicContact CG2-CG2 3.65Å; T317-T329 WeakPolarHBondContact OG1-CG2 3.37Å
318E89.8Confident84.6Confident4 Ų460.2 Ų60.22%0.01932%0.315CS..EExtended strand (participates in β ladder)trans-63.9144.9175.3-174.5-114.5-141.600110.1Q230 P234 R269 I271 S326 A328Q230-E318 PolarHBondContact NE2-OE1 2.83Å; Q230-E318 VanDerWaalsContact NE2-OE1 3.12Å; P234-E318 HydrophobicContact CG-CB 4.21Å; R269-E318 HydrophobicContact CB-CG 3.92Å; R269-E318 WeakPolarHBondContact CD-OE1 3.2Å; R269-E318 IonicContact CZ-OE1 3.18Å; R269-E318 IonicContact CZ-OE2 3.88Å; R269-E318 IonicContact NE-OE1 3.58Å; R269-E318 IonicContact NH1-OE1 3.79Å; R269-E318 PolarHBondContact NH1-OE1 3.29Å; R269-E318 IonicContact NH1-OE2 2.74Å; R269-E318 PolarHBondContact NH1-OE2 3.08Å; I271-E318 HydrophobicContact CD1-CB 4.12Å; I271-E318 HydrophobicContact CD1-CG 4.38Å; E318-S326 PolarHBondContact O-N 3.5Å; E318-S326 PolarHBondContact O-OG 2.99Å; E318-S326 WeakPolarHBondContact OE2-CB 3.45Å; E318-S326 PolarHBondContact OE2-OG 2.8Å; E318-A328 HydrophobicContact CB-CB 4.16Å; E318-A328 PolarHBondContact N-O 2.93Å
319L88.9Confident85.7Confident13 Ų1354 Ų547%0.06829%0.29CS..EExtended strand (participates in β ladder)trans-117.3129.3-172.3-57.1179.7000111.5R269 G270 Y288 T324R269-L319 WeakPolarHBondContact CB-O 3.27Å; R269-L319 VanDerWaalsContact CD-O 3.3Å; R269-L319 WeakPolarHBondContact CD-O 3.26Å; R269-L319 WeakPolarHBondContact CG-O 3.33Å; G270-L319 WeakPolarHBondContact O-CB 3.5Å; G270-L319 VanDerWaalsContact O-CG 3.27Å; G270-L319 WeakPolarHBondContact O-CG 3.38Å; G270-L319 PolarHBondContact O-N 2.68Å; Y288-L319 HydrophobicContact CE1-CD1 4.38Å; Y288-L319 HydrophobicContact CE1-CD2 4.39Å; Y288-L319 WeakPolarHBondContact OH-CD2 3.39Å; L319-T324 WeakPolarHBondContact CA-O 3.33Å
320N85.5Confident86.2Confident51 Ų5155 Ų5527%0.27329%0.292SS..  trans-60.6165.1169.8-63.4-59.5000111.8D322 R323 T324 P325N320-D322 WeakPolarHBondContact CB-OD1 3.45Å; N320-D322 PolarHBondContact O-N 2.81Å; N320-R323 WeakPolarHBondContact O-CA 3.26Å; N320-R323 PolarHBondContact O-N 2.89Å; N320-T324 PolarHBondContact N-O 2.7Å; N320-T324 PolarHBondContact ND2-O 2.82Å; N320-T324 PolarHBondContact ND2-OG1 3.25Å; N320-P325 PolarHBondContact ND2-O 3.34Å
321D81.6Confident86.4Confident149 Ų14958.8 Ų58.880%0.79732%0.316SS*.THydrogen-bonded Turntrans-54.2-26.2179.2-69.6-26.2000114
322D85.9Confident86.5Confident115 Ų11555 Ų5562%0.61530%0.298SS*.THydrogen-bonded Turntrans-90.2217774.3-11.8000114.3N320 T324N320-D322 WeakPolarHBondContact CB-OD1 3.45Å; N320-D322 PolarHBondContact O-N 2.81Å; D322-T324 VanDerWaalsContact C-N 3.32Å; D322-T324 WeakPolarHBondContact OD1-CB 3.46Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.42Å; D322-T324 PolarHBondContact OD1-N 2.89Å; D322-T324 PolarHBondContact OD1-OG1 2.91Å; D322-T324 WeakPolarHBondContact OD2-CG2 3.48Å
323R81.5Confident86.2Confident173 Ų17358.2 Ų58.265%0.65332%0.318SS*.SBendtrans6719.2-173.7-53.5179.4175.7-175.3-4.8115.6N320N320-R323 WeakPolarHBondContact O-CA 3.26Å; N320-R323 PolarHBondContact O-N 2.89Å
324T85.5Confident86Confident60 Ų6056.5 Ų56.537%0.36831%0.308SS..  trans-71.4145.416157.40000110.3L319 N320 D322L319-T324 WeakPolarHBondContact CA-O 3.33Å; N320-T324 PolarHBondContact N-O 2.7Å; N320-T324 PolarHBondContact ND2-O 2.82Å; N320-T324 PolarHBondContact ND2-OG1 3.25Å; D322-T324 VanDerWaalsContact C-N 3.32Å; D322-T324 WeakPolarHBondContact OD1-CB 3.46Å; D322-T324 WeakPolarHBondContact OD1-CG2 3.42Å; D322-T324 PolarHBondContact OD1-N 2.89Å; D322-T324 PolarHBondContact OD1-OG1 2.91Å; D322-T324 WeakPolarHBondContact OD2-CG2 3.48Å
325P86.8Confident85.5Confident78 Ų7859.3 Ų59.351%0.50632%0.323SS..EExtended strand (participates in β ladder)trans-65.1142.3171.928.5-34.6000110.8T317 N320T317-P325 HydrophobicContact CG2-CB 3.39Å; N320-P325 PolarHBondContact ND2-O 3.34Å
326S86.1Confident85.2Confident24 Ų2456.4 Ų56.417%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-89.8-174.9165.576.90000111.4E318 A328E318-S326 PolarHBondContact O-N 3.5Å; E318-S326 PolarHBondContact O-OG 2.99Å; E318-S326 WeakPolarHBondContact OE2-CB 3.45Å; E318-S326 PolarHBondContact OE2-OG 2.8Å; S326-A328 PolarHBondContact OG-N 2.87Å
327D82.5Confident84.5Confident168 Ų16860.1 Ų60.190%0.89833%0.329SS*.EExtended strand (participates in β ladder)trans-81.3-14.5174.5-64-51.1000113
328A84.2Confident84Confident22 Ų2259.9 Ų59.918%0.18233%0.328CS..EExtended strand (participates in β ladder)trans-82.6112.9-177.200000111.5D233 E318 S326D233-A328 VanDerWaalsContact OD1-C 3.24Å; D233-A328 VanDerWaalsContact OD1-CA 3.26Å; D233-A328 WeakPolarHBondContact OD1-CA 3.48Å; E318-A328 HydrophobicContact CB-CB 4.16Å; E318-A328 PolarHBondContact N-O 2.93Å; S326-A328 PolarHBondContact OG-N 2.87Å
329T89.2Confident83.3Confident38 Ų3862.1 Ų62.123%0.23334%0.339CS..EExtended strand (participates in β ladder)trans-152.9141.1-167.678.20000115.6D233 K315 G316 T317D233-T329 PolarHBondContact OD1-N 2.79Å; K315-T329 VanDerWaalsContact CE-CG2 3.43Å; K315-T329 WeakPolarHBondContact CE-OG1 3.49Å; K315-T329 PolarHBondContact NZ-OG1 3Å; G316-T329 CarbonylContact O-C 3.54Å; G316-T329 WeakPolarHBondContact O-CA 3.22Å; G316-T329 WeakPolarHBondContact O-CB 3.41Å; T317-T329 HydrophobicContact CG2-CG2 3.65Å; T317-T329 WeakPolarHBondContact OG1-CG2 3.37Å
330V88.4Confident82.9Confident35 Ų3562 Ų6221%0.21234%0.339CS..EExtended strand (participates in β ladder)trans-121.7149.7-179.266.10000111.9P234 F236 K315 G316P234-V330 HydrophobicContact CB-CG1 4.48Å; P234-V330 HydrophobicContact CG-CG1 4.13Å; P234-V330 WeakPolarHBondContact O-CB 3.42Å; P234-V330 WeakPolarHBondContact O-CG1 3.25Å; F236-V330 HydrophobicContact CD2-CB 4.46Å; F236-V330 HydrophobicContact CD2-CG1 3.67Å; F236-V330 HydrophobicContact CD2-CG2 4.03Å; F236-V330 HydrophobicContact CE2-CB 4.5Å; F236-V330 HydrophobicContact CE2-CG1 3.62Å; F236-V330 HydrophobicContact CE2-CG2 4.41Å; F236-V330 HydrophobicContact CG-CG1 4.49Å; F236-V330 HydrophobicContact CZ-CG1 4.39Å; K315-V330 CarbonylContact C-O 3.58Å; K315-V330 VanDerWaalsContact CA-O 3.29Å; K315-V330 WeakPolarHBondContact CA-O 3.08Å; G316-V330 PolarHBondContact N-O 3.49Å; G316-V330 PolarHBondContact O-N 2.76Å
331T87.6Confident82.6Confident86 Ų8661.7 Ų61.753%0.52834%0.337SS..EExtended strand (participates in β ladder)trans-125.2144.5173.158.80000111.8V314 K315V314-T331 VanDerWaalsContact O-CA 3.29Å; V314-T331 WeakPolarHBondContact O-CA 3.32Å; K315-T331 HydrophobicContact CB-CG2 3.98Å; K315-T331 HydrophobicContact CD-CG2 4.39Å; K315-T331 HydrophobicContact CG-CG2 4.03Å
332T83.1Confident82.4Confident27 Ų2755.8 Ų55.817%0.16631%0.305CS..EExtended strand (participates in β ladder)trans-144.3164.2171.9-160.60000111F236 L239 Y241 V314F236-T332 HydrophobicContact CB-CG2 4.33Å; F236-T332 HydrophobicContact CD1-CG2 4.14Å; F236-T332 HydrophobicContact CD2-CG2 3.4Å; F236-T332 VanDerWaalsContact CD2-CG2 3.4Å; F236-T332 HydrophobicContact CE1-CG2 4.31Å; F236-T332 HydrophobicContact CE2-CG2 3.57Å; F236-T332 HydrophobicContact CG-CG2 3.71Å; F236-T332 HydrophobicContact CZ-CG2 4.04Å; L239-T332 HydrophobicContact CD2-CG2 4.33Å; Y241-T332 HydrophobicContact CD2-CG2 4Å; Y241-T332 HydrophobicContact CE2-CG2 4.31Å; V314-T332 HydrophobicContact CG2-CG2 3.73Å; V314-T332 PolarHBondContact N-O 3.1Å; V314-T332 PolarHBondContact O-N 3.4Å
333T78.8Confident82.2Confident68 Ų6854.7 Ų54.742%0.41730%0.299SS..EExtended strand (participates in β ladder)trans-104.4125.1176.851.80000110.7I311 L312I311-T333 HydrophobicContact CG2-CG2 4.27Å; L312-T333 CarbonylContact O-C 3.49Å; L312-T333 WeakPolarHBondContact O-CA 3.47Å
334F80Confident82.2Confident0 Ų047.9 Ų47.90%028%0.276CS..EExtended strand (participates in β ladder)trans-104.5118.4173.6178.5-165.1000109.3Y241 T243 R256 I258 L293 L312 I336Y241-F334 WeakPolarHBondContact O-CD2 3.48Å; T243-F334 HydrophobicContact CG2-CE2 3.82Å; T243-F334 HydrophobicContact CG2-CZ 3.55Å; R256-F334 HydrophobicContact CB-CE1 3.72Å; R256-F334 HydrophobicContact CB-CE2 4.48Å; R256-F334 HydrophobicContact CB-CZ 3.43Å; R256-F334 VanDerWaalsContact CB-CZ 3.43Å; R256-F334 HydrophobicContact CG-CE1 4.36Å; R256-F334 HydrophobicContact CG-CZ 3.91Å; I258-F334 HydrophobicContact CD1-CD1 3.7Å; I258-F334 HydrophobicContact CD1-CE1 4.23Å; I258-F334 HydrophobicContact CG1-CD1 4.2Å; I258-F334 HydrophobicContact CG1-CE1 4.35Å; L293-F334 HydrophobicContact CB-CE1 4.43Å; L293-F334 HydrophobicContact CD2-CD1 3.9Å; L293-F334 HydrophobicContact CD2-CE1 3.49Å; L293-F334 VanDerWaalsContact CD2-CE1 3.49Å; L312-F334 PolarHBondContact N-O 2.87Å; L312-F334 PolarHBondContact O-N 2.88Å; F334-I336 HydrophobicContact CD1-CD1 4.17Å; F334-I336 HydrophobicContact CD1-CG1 4.21Å; F334-I336 HydrophobicContact CD2-CG1 4.07Å; F334-I336 HydrophobicContact CE1-CD1 3.98Å; F334-I336 HydrophobicContact CE1-CG1 4Å; F334-I336 HydrophobicContact CE2-CG1 3.84Å; F334-I336 HydrophobicContact CG-CG1 4.25Å; F334-I336 HydrophobicContact CZ-CD1 4.24Å; F334-I336 HydrophobicContact CZ-CG1 3.79Å
335N79.8Confident82.1Confident60 Ų6046.7 Ų46.732%0.32127%0.272SS..EExtended strand (participates in β ladder)trans-92.6127.9175-165.48.4000111.1Y241 S242 T243 F310Y241-N335 PolarHBondContact O-N 3.34Å; S242-N335 WeakPolarHBondContact CA-O 3.48Å; T243-N335 PolarHBondContact N-O 3.33Å; T243-N335 VanDerWaalsContact N-O 3.13Å; F310-N335 CarbonylContact O-C 3.6Å; F310-N335 WeakPolarHBondContact O-CA 3.37Å; F310-N335 PolarHBondContact O-OD1 3.33Å
336I82.8Confident82.3Confident0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-121.8108.5-177.8-55.6171.2000107.8T243 I245 V255 F284 L293 G309 F310 L312 F334T243-I336 WeakPolarHBondContact O-CA 3.45Å; I245-I336 HydrophobicContact CG2-CG2 3.62Å; V255-I336 HydrophobicContact CG1-CD1 4.33Å; V255-I336 HydrophobicContact CG1-CG2 4.12Å; F284-I336 HydrophobicContact CD1-CD1 4.47Å; F284-I336 HydrophobicContact CD2-CD1 4.29Å; F284-I336 HydrophobicContact CE1-CD1 4.1Å; F284-I336 HydrophobicContact CE2-CD1 3.89Å; F284-I336 HydrophobicContact CZ-CD1 3.79Å; F284-I336 HydrophobicContact CZ-CG2 4.06Å; L293-I336 HydrophobicContact CD2-CD1 3.46Å; L293-I336 VanDerWaalsContact CD2-CD1 3.46Å; G309-I336 CarbonylContact C-O 3.58Å; G309-I336 WeakPolarHBondContact CA-O 3.47Å; F310-I336 HydrophobicContact CB-CB 4.36Å; F310-I336 PolarHBondContact N-O 3.38Å; F310-I336 PolarHBondContact O-N 2.72Å; L312-I336 HydrophobicContact CD1-CD1 3.64Å; L312-I336 HydrophobicContact CG-CD1 4Å; F334-I336 HydrophobicContact CD1-CD1 4.17Å; F334-I336 HydrophobicContact CD1-CG1 4.21Å; F334-I336 HydrophobicContact CD2-CG1 4.07Å; F334-I336 HydrophobicContact CE1-CD1 3.98Å; F334-I336 HydrophobicContact CE1-CG1 4Å; F334-I336 HydrophobicContact CE2-CG1 3.84Å; F334-I336 HydrophobicContact CG-CG1 4.25Å; F334-I336 HydrophobicContact CZ-CD1 4.24Å; F334-I336 HydrophobicContact CZ-CG1 3.79Å
337L76.3Confident82.4Confident79 Ų7947.4 Ų47.441%0.41427%0.266SS..EExtended strand (participates in β ladder)trans-86.8126.7174.3-64.7173.9000109.4T243 N244 I245T243-L337 PolarHBondContact O-N 3.45Å; N244-L337 CarbonylContact C-O 3.28Å; N244-L337 VanDerWaalsContact CA-O 3.27Å; N244-L337 WeakPolarHBondContact CA-O 3.25Å; I245-L337 PolarHBondContact N-O 3.01Å
338V79.8Confident82.8Confident8 Ų840.1 Ų40.15%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-78.1125167.6-174.60000107.2I245 E247 L299 R301 F310I245-V338 CarbonylContact O-C 3.55Å; I245-V338 VanDerWaalsContact O-CA 3.3Å; I245-V338 WeakPolarHBondContact O-CA 3.42Å; E247-V338 HydrophobicContact CB-CG1 3.86Å; L299-V338 HydrophobicContact CD2-CG2 4.03Å; R301-V338 HydrophobicContact CB-CG1 3.94Å; R301-V338 HydrophobicContact CG-CB 4.36Å; R301-V338 HydrophobicContact CG-CG1 4.12Å; F310-V338 HydrophobicContact CD2-CG2 4.41Å; F310-V338 HydrophobicContact CE2-CG2 3.95Å
339I75.4Confident83Confident50 Ų5042.5 Ų42.526%0.25624%0.237SC..EExtended strand (participates in β ladder)trans-89124.1172.3-49.5179.7000107.8N244 I245 Y246 E247N244-I339 HydrophobicContact CB-CD1 3.63Å; N244-I339 HydrophobicContact CB-CG1 3.68Å; I245-I339 PolarHBondContact O-N 2.78Å; Y246-I339 WeakPolarHBondContact CA-O 3.45Å; Y246-I339 HydrophobicContact CD1-CB 3.67Å; Y246-I339 HydrophobicContact CD1-CD1 4.06Å; Y246-I339 HydrophobicContact CD1-CG1 4.41Å; Y246-I339 HydrophobicContact CD1-CG2 3.77Å; Y246-I339 HydrophobicContact CE1-CB 4.01Å; Y246-I339 HydrophobicContact CE1-CD1 3.77Å; Y246-I339 HydrophobicContact CE1-CG2 3.71Å; Y246-I339 HydrophobicContact CE2-CD1 4.24Å; Y246-I339 HydrophobicContact CG-CB 4.32Å; Y246-I339 HydrophobicContact CG-CD1 4.43Å; E247-I339 PolarHBondContact N-O 2.88Å
340D79.6Confident82.8Confident12 Ų1242.9 Ų42.96%0.06424%0.241CC..PPolyproline II helixtrans-49.4132.1166.6-145.578.7000112.6E247 R301 E378 N383E247-D340 VanDerWaalsContact OE1-CA 3.24Å; E247-D340 WeakPolarHBondContact OE1-CA 3.16Å; R301-D340 VanDerWaalsContact NH1-CB 3.35Å; R301-D340 IonicContact NH1-OD1 3.91Å; R301-D340 PolarHBondContact NH1-OD1 3.48Å; D340-E378 HydrophobicContact CB-CB 4.42Å; D340-E378 WeakPolarHBondContact OD1-CB 3.29Å; D340-E378 PolarHBondContact OD1-N 2.65Å; D340-N383 PolarHBondContact O-ND2 2.79Å; D340-N383 WeakPolarHBondContact OD2-CB 3.41Å; D340-N383 PolarHBondContact OD2-ND2 3.06Å
341I79.5Confident82.8Confident43 Ų4345.7 Ų45.722%0.22126%0.262CS..  trans-120.1136.8158.9-69.1-173.2000108.3Y246 E247 H248 D343Y246-I341 HydrophobicContact CD1-CD1 3.75Å; Y246-I341 HydrophobicContact CD1-CG1 3.76Å; Y246-I341 HydrophobicContact CG-CD1 4.04Å; Y246-I341 HydrophobicContact CG-CG1 4.45Å; E247-I341 PolarHBondContact OE1-N 2.96Å; H248-I341 HydrophobicContact CB-CD1 4.36Å; H248-I341 WeakPolarHBondContact CE1-CD1 3.33Å; H248-I341 WeakPolarHBondContact ND1-CD1 3.28Å; I341-D343 VanDerWaalsContact C-N 3.27Å; I341-D343 HydrophobicContact CG2-CB 4.24Å; I341-D343 PolarHBondContact O-N 3.3Å
342N77Confident82.9Confident25 Ų2545.5 Ų45.513%0.13426%0.255CS..SBendtrans-62.289.2166.2-174.5-127.8000110.4D377 N383 E435 V437 H440N342-D377 WeakPolarHBondContact CA-OD2 3.39Å; N342-D377 PolarHBondContact ND2-OD2 3.22Å; N342-N383 HydrophobicContact CB-CB 3.95Å; N342-N383 PolarHBondContact N-ND2 3.45Å; N342-N383 PolarHBondContact ND2-O 2.9Å; N342-E435 PolarHBondContact ND2-OE2 3.18Å; N342-E435 PolarHBondContact OD1-OE2 3.21Å; N342-V437 WeakPolarHBondContact OD1-CB 3.18Å; N342-V437 WeakPolarHBondContact OD1-CG2 3.39Å; N342-H440 PolarHBondContact O-CE1 2.74Å; N342-H440 VanDerWaalsContact O-CE1 3.29Å; N342-H440 PolarHBondContact OD1-ND1 2.98Å
343D81.7Confident83.2Confident92 Ų9244.9 Ų44.949%0.49225%0.25SC..  trans-131.5-11.4176.698.20.3000114.1I341I341-D343 VanDerWaalsContact C-N 3.27Å; I341-D343 HydrophobicContact CG2-CB 4.24Å; I341-D343 PolarHBondContact O-N 3.3Å
344N81.7Confident83.6Confident30 Ų3045.9 Ų45.916%0.1626%0.26CS..SBendtrans-80.2168.5155.2-59-90.2000110.5E302 D375 K376 D377 H440E302-N344 PolarHBondContact OE2-ND2 2.81Å; E302-N344 VanDerWaalsContact OE2-ND2 3.08Å; N344-D375 WeakPolarHBondContact CB-OD1 3.49Å; N344-K376 HydrophobicContact CB-CB 4.3Å; N344-D377 VanDerWaalsContact CB-OD1 3.28Å; N344-D377 WeakPolarHBondContact CB-OD1 3.39Å; N344-D377 PolarHBondContact N-OD1 3.08Å; N344-D377 PolarHBondContact ND2-OD1 2.84Å; N344-H440 PolarHBondContact O-CE1 3.27Å; N344-H440 PolarHBondContact O-ND1 2.79Å
345A84.7Confident83.9Confident36 Ų3646.9 Ų46.930%0.29827%0.265SS..  trans-141.6157.3170.400000109.5E347 D375 H440A345-E347 PolarHBondContact O-N 3Å; A345-D375 WeakPolarHBondContact CA-OD2 3.46Å; A345-H440 HydrophobicContact CB-CB 3.81Å
346P89.8Confident84.1Confident3 Ų346.6 Ų46.62%0.01927%0.271CS..  trans-66112.8-162.2-26.534.9000112.6V373 D375 F386 A433 E435 G442P346-V373 HydrophobicContact CB-CG2 3.72Å; P346-D375 WeakPolarHBondContact CA-OD2 3.35Å; P346-D375 WeakPolarHBondContact CD-OD2 3.29Å; P346-D375 HydrophobicContact CG-CB 4.45Å; P346-D375 WeakPolarHBondContact CG-OD2 3.42Å; P346-F386 HydrophobicContact CB-CD1 4.06Å; P346-F386 HydrophobicContact CB-CD2 4.19Å; P346-F386 HydrophobicContact CB-CE1 4.16Å; P346-F386 HydrophobicContact CB-CE2 4.26Å; P346-F386 HydrophobicContact CB-CG 4.08Å; P346-F386 HydrophobicContact CB-CZ 4.24Å; P346-F386 HydrophobicContact CG-CB 3.84Å; P346-F386 HydrophobicContact CG-CD1 3.62Å; P346-F386 HydrophobicContact CG-CD2 4.17Å; P346-F386 HydrophobicContact CG-CE1 4.18Å; P346-F386 HydrophobicContact CG-CG 3.61Å; P346-A433 HydrophobicContact CB-CB 3.75Å; P346-A433 HydrophobicContact CG-CB 4.34Å; P346-E435 VanDerWaalsContact CD-CG 3.49Å; P346-E435 HydrophobicContact CG-CG 3.64Å; P346-G442 WeakPolarHBondContact O-CA 3.22Å
347E88.3Confident84.1Confident113 Ų11347 Ų4753%0.52827%0.274SS..EExtended strand (participates in β ladder)trans-92.2120.2-174.5-168.5173.1-172.300111.2A345 V373 V374 K376A345-E347 PolarHBondContact O-N 3Å; E347-V373 WeakPolarHBondContact O-CA 3.5Å; E347-V374 PolarHBondContact N-O 3.15Å; E347-V374 PolarHBondContact O-N 2.69Å; E347-K376 WeakPolarHBondContact OE2-CE 3.47Å; E347-K376 IonicContact OE2-NZ 2.7Å; E347-K376 PolarHBondContact OE2-NZ 3.26Å
348F90.6Very high84.4Confident15 Ų1543.5 Ų43.57%0.06626%0.256CS..EExtended strand (participates in β ladder)trans-77.6134.7170.1-76.1-68.1000111S350 Y353 I371 Q372 V373 V388 L431 A433 A444F348-S350 PolarHBondContact O-N 2.99Å; F348-Y353 HydrophobicContact CD1-CE2 4.48Å; F348-I371 HydrophobicContact CD1-CG2 3.77Å; F348-I371 HydrophobicContact CE1-CG2 3.85Å; F348-Q372 WeakPolarHBondContact CA-O 3.42Å; F348-V373 HydrophobicContact CD1-CB 3.8Å; F348-V373 HydrophobicContact CD1-CG2 4.13Å; F348-V373 HydrophobicContact CE1-CB 3.68Å; F348-V373 HydrophobicContact CE1-CG1 4.47Å; F348-V373 HydrophobicContact CE1-CG2 3.96Å; F348-V373 HydrophobicContact CZ-CB 4.44Å; F348-V373 HydrophobicContact CZ-CG2 4.26Å; F348-V388 HydrophobicContact CZ-CG1 4.39Å; F348-L431 HydrophobicContact CD1-CD2 4.17Å; F348-L431 HydrophobicContact CE1-CD2 3.56Å; F348-L431 HydrophobicContact CE1-CG 3.93Å; F348-L431 HydrophobicContact CE2-CD2 4.45Å; F348-L431 HydrophobicContact CE2-CG 4.11Å; F348-L431 HydrophobicContact CZ-CD1 4.21Å; F348-L431 HydrophobicContact CZ-CD2 3.74Å; F348-L431 HydrophobicContact CZ-CG 3.54Å; F348-A433 HydrophobicContact CE2-CB 3.84Å; F348-A433 HydrophobicContact CZ-CB 3.63Å; F348-A444 HydrophobicContact CB-CB 4.03Å; F348-A444 HydrophobicContact CD2-CB 3.8Å; F348-A444 HydrophobicContact CE2-CB 4.43Å; F348-A444 HydrophobicContact CG-CB 3.91Å
349N88.2Confident84.6Confident73 Ų7343.6 Ų43.639%0.3926%0.255SS..SBendtrans-66-4.3179.573.9-18.7000114.8Y353 F370 Q372N349-Y353 PolarHBondContact N-OH 2.6Å; N349-Y353 VanDerWaalsContact OD1-CE1 3.3Å; N349-Y353 WeakPolarHBondContact OD1-CE1 3.04Å; N349-Y353 PolarHBondContact OD1-OH 2.92Å; N349-F370 WeakPolarHBondContact ND2-CD1 3.43Å; N349-F370 WeakPolarHBondContact ND2-CE1 3.32Å; N349-F370 PolarHBondContact ND2-O 2.84Å; N349-F370 VanDerWaalsContact ND2-O 3.16Å; N349-F370 PolarHBondContact OD1-O 3.25Å; N349-Q372 HydrophobicContact CB-CB 4.17Å; N349-Q372 PolarHBondContact N-O 3.38Å; N349-Q372 PolarHBondContact ND2-N 2.69Å; N349-Q372 PolarHBondContact OD1-N 3.04Å; N349-Q372 VanDerWaalsContact OD1-N 3.1Å; N349-Q372 PolarHBondContact OD1-O 3.18Å
350S86.2Confident84.8Confident46 Ų4642.7 Ų42.732%0.32225%0.251SS..  trans-150.5144.1163.1-174.50000110.4F348 E352 Y353 A444F348-S350 PolarHBondContact O-N 2.99Å; S350-E352 WeakPolarHBondContact CB-O 3.23Å; S350-E352 PolarHBondContact O-N 2.91Å; S350-E352 PolarHBondContact OG-N 2.87Å; S350-E352 PolarHBondContact OG-O 2.88Å; S350-Y353 PolarHBondContact N-OH 3.48Å; S350-Y353 VanDerWaalsContact O-CE2 3.32Å; S350-Y353 WeakPolarHBondContact O-CE2 3.36Å; S350-Y353 PolarHBondContact O-OH 2.86Å; S350-A444 WeakPolarHBondContact O-CB 3.35Å
351S87Confident84.6Confident94 Ų9442.3 Ų42.366%0.65725%0.249SC*.SBendtrans-71.5-17.5170.661.30000113.3A444 K445S351-A444 WeakPolarHBondContact O-CA 3.39Å; S351-K445 PolarHBondContact O-N 2.9Å
352E89.9Confident84.2Confident81 Ų8143.2 Ų43.238%0.37925%0.253SS..EExtended strand (participates in β ladder)trans-146.1136.6177.1-173168.4124.200111.6S350 K445 K447S350-E352 WeakPolarHBondContact CB-O 3.23Å; S350-E352 PolarHBondContact O-N 2.91Å; S350-E352 PolarHBondContact OG-N 2.87Å; S350-E352 PolarHBondContact OG-O 2.88Å; E352-K445 CarbonylContact C-O 3.55Å; E352-K445 WeakPolarHBondContact CA-O 3.46Å; E352-K445 HydrophobicContact CB-CB 4.48Å; E352-K445 HydrophobicContact CG-CB 4.14Å; E352-K447 VanDerWaalsContact CD-CE 3.43Å; E352-K447 WeakPolarHBondContact OE1-CE 3.37Å; E352-K447 IonicContact OE1-NZ 2.78Å; E352-K447 PolarHBondContact OE1-NZ 3.09Å; E352-K447 VanDerWaalsContact OE2-CE 3.27Å; E352-K447 WeakPolarHBondContact OE2-CE 3.48Å; E352-K447 IonicContact OE2-NZ 3.97Å; E352-K447 PolarHBondContact OE2-NZ 3.31Å
353Y89.4Confident84Confident14 Ų1445.9 Ų45.96%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-121.6121.2177.7-59.2-78.9000109.1F348 N349 S350 F370 I371 L431 A444 K445 V446 K447F348-Y353 HydrophobicContact CD1-CE2 4.48Å; N349-Y353 PolarHBondContact N-OH 2.6Å; N349-Y353 VanDerWaalsContact OD1-CE1 3.3Å; N349-Y353 WeakPolarHBondContact OD1-CE1 3.04Å; N349-Y353 PolarHBondContact OD1-OH 2.92Å; S350-Y353 PolarHBondContact N-OH 3.48Å; S350-Y353 VanDerWaalsContact O-CE2 3.32Å; S350-Y353 WeakPolarHBondContact O-CE2 3.36Å; S350-Y353 PolarHBondContact O-OH 2.86Å; Y353-F370 WeakPolarHBondContact CE1-O 3.41Å; Y353-I371 HydrophobicContact CD1-CG1 3.8Å; Y353-I371 HydrophobicContact CD2-CD1 4.44Å; Y353-I371 HydrophobicContact CD2-CG1 3.95Å; Y353-I371 HydrophobicContact CE1-CB 4.15Å; Y353-I371 HydrophobicContact CE1-CG1 3.81Å; Y353-I371 HydrophobicContact CE1-CG2 4.41Å; Y353-I371 HydrophobicContact CE2-CB 4.34Å; Y353-I371 HydrophobicContact CE2-CG1 3.96Å; Y353-I371 HydrophobicContact CE2-CG2 3.86Å; Y353-I371 HydrophobicContact CG-CG1 3.86Å; Y353-L431 HydrophobicContact CE2-CD2 4.38Å; Y353-A444 HydrophobicContact CD2-CB 4.04Å; Y353-A444 HydrophobicContact CE2-CB 3.6Å; Y353-K445 PolarHBondContact N-O 3.3Å; Y353-V446 HydrophobicContact CD2-CG2 4.26Å; Y353-V446 CarbonylContact O-C 3.55Å; Y353-V446 WeakPolarHBondContact O-CA 3.18Å; Y353-K447 PolarHBondContact O-N 3.16Å
354S87.4Confident83.3Confident90 Ų9043 Ų4363%0.62926%0.262SS*.EExtended strand (participates in β ladder)trans-122.4132.6-178.361.60000111.6K447S354-K447 WeakPolarHBondContact CA-O 3.3Å
355V87.1Confident82.8Confident20 Ų2043.5 Ų43.512%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-144.5147.9176.462.90000111.8I357 L367 P368 L369 K447 I448 T449V355-I357 HydrophobicContact CG2-CG2 4.11Å; V355-L367 HydrophobicContact CG1-CD2 3.56Å; V355-P368 HydrophobicContact CG2-CG 3.86Å; V355-L369 HydrophobicContact CB-CD2 3.66Å; V355-L369 HydrophobicContact CB-CG 4.17Å; V355-L369 HydrophobicContact CG1-CD1 4.04Å; V355-L369 HydrophobicContact CG1-CD2 3.82Å; V355-L369 HydrophobicContact CG1-CG 3.89Å; V355-K447 PolarHBondContact N-O 3.43Å; V355-I448 HydrophobicContact CG1-CG1 4.18Å; V355-I448 HydrophobicContact CG1-CG2 4.39Å; V355-I448 WeakPolarHBondContact O-CA 3.27Å; V355-T449 PolarHBondContact O-N 2.79Å; V355-T449 PolarHBondContact O-OG1 3.32Å
356A82.9Confident82.3Confident54 Ų5443.1 Ų43.145%0.44626%0.259SS..EExtended strand (participates in β ladder)trans-107.5132.9168.400000110T449 I451A356-T449 VanDerWaalsContact CA-O 3.28Å; A356-T449 WeakPolarHBondContact CA-O 3.42Å; A356-I451 HydrophobicContact CB-CD1 4.02Å; A356-I451 HydrophobicContact CB-CG1 4.05Å
357I84.1Confident81.8Confident9 Ų943.4 Ų43.45%0.04626%0.261CS..EExtended strand (participates in β ladder)trans-135.3150.4176.260.7165.5000109.8V355 A361 F365 L367 L419 I448 T449 L450 I451V355-I357 HydrophobicContact CG2-CG2 4.11Å; I357-A361 HydrophobicContact CD1-CB 4.27Å; I357-F365 HydrophobicContact CG2-CE1 3.98Å; I357-L367 HydrophobicContact CD1-CD2 3.91Å; I357-L367 HydrophobicContact CG1-CD2 4.44Å; I357-L367 HydrophobicContact CG2-CD2 3.92Å; I357-L419 HydrophobicContact CD1-CD1 3.61Å; I357-I448 HydrophobicContact CD1-CG2 3.98Å; I357-I448 HydrophobicContact CG1-CG2 3.82Å; I357-T449 PolarHBondContact N-O 3.22Å; I357-L450 HydrophobicContact CD1-CD2 4.18Å; I357-L450 HydrophobicContact CG1-CD2 3.86Å; I357-L450 CarbonylContact O-C 3.5Å; I357-L450 WeakPolarHBondContact O-CA 3.3Å; I357-I451 PolarHBondContact O-N 3.33Å
358T82.2Confident81Confident6 Ų640.2 Ų40.24%0.03725%0.25CC..EExtended strand (participates in β ladder)trans-64.2145.8167.1178.90000110.2L360 A361 E453 Y1047T358-L360 HydrophobicContact CG2-CB 4.14Å; T358-L360 PolarHBondContact O-N 3.19Å; T358-L360 PolarHBondContact OG1-N 3.09Å; T358-A361 WeakPolarHBondContact O-CB 3.36Å; T358-A361 PolarHBondContact O-N 2.75Å; T358-E453 VanDerWaalsContact OG1-CG 3.29Å; T358-E453 WeakPolarHBondContact OG1-CG 3.43Å; T358-E453 PolarHBondContact OG1-OE1 2.94Å; T358-Y1047 HydrophobicContact CG2-CD2 3.74Å; T358-Y1047 HydrophobicContact CG2-CE2 4Å; T358-Y1047 HydrophobicContact CG2-CG 4.41Å
359E84.8Confident80.5Confident9 Ų940.7 Ų40.74%0.04225%0.253CS..THydrogen-bonded Turntrans-62.7-26.3170.264.8-162114.200113A361 Y421 L450 N452 E453E359-A361 PolarHBondContact O-N 3.07Å; E359-Y421 WeakPolarHBondContact OE2-CB 3.39Å; E359-Y421 PolarHBondContact OE2-N 3.16Å; E359-L450 HydrophobicContact CB-CD1 4.17Å; E359-N452 WeakPolarHBondContact OE1-CA 3.4Å; E359-E453 PolarHBondContact OE1-N 2.96Å
360L79.5Confident79.8Confident31 Ų3140.6 Ų40.616%0.16225%0.249CC..THydrogen-bonded Turntrans-65.23.5175.7-55.1179.1000113.6T358 Q362 E453 F1033T358-L360 HydrophobicContact CG2-CB 4.14Å; T358-L360 PolarHBondContact O-N 3.19Å; T358-L360 PolarHBondContact OG1-N 3.09Å; L360-Q362 PolarHBondContact O-N 2.9Å; L360-Q362 VanDerWaalsContact O-N 3.16Å; L360-E453 HydrophobicContact CD1-CB 4.26Å; L360-E453 HydrophobicContact CD1-CG 3.88Å; L360-E453 HydrophobicContact CG-CB 4.49Å; L360-E453 HydrophobicContact CG-CG 4.08Å; L360-F1033 VanDerWaalsContact O-CZ 3.3Å; L360-F1033 WeakPolarHBondContact O-CZ 3.36Å
361A74.9Confident79.7Confident4 Ų438.5 Ų38.53%0.03323%0.234CC..  trans-64.9109.3178.100000112.3I357 T358 E359 F365 V415I357-A361 HydrophobicContact CD1-CB 4.27Å; T358-A361 WeakPolarHBondContact O-CB 3.36Å; T358-A361 PolarHBondContact O-N 2.75Å; E359-A361 PolarHBondContact O-N 3.07Å; A361-F365 HydrophobicContact CB-CB 4.31Å; A361-F365 HydrophobicContact CB-CD1 3.93Å; A361-F365 HydrophobicContact CB-CE1 4.47Å; A361-F365 HydrophobicContact CB-CG 4.09Å; A361-V415 HydrophobicContact CB-CG2 4.29Å
362Q71.2Confident79.5Confident62 Ų6235.7 Ų35.729%0.2921%0.211SC..  trans-53.6150.2177.1-75.7-170.4-29.600113.8L360 G364 F365 F1033 E1071 I1073L360-Q362 PolarHBondContact O-N 2.9Å; L360-Q362 VanDerWaalsContact O-N 3.16Å; Q362-G364 PolarHBondContact O-N 2.75Å; Q362-F365 WeakPolarHBondContact O-CB 3.26Å; Q362-F365 PolarHBondContact O-N 3.27Å; Q362-F1033 HydrophobicContact CG-CD2 4.35Å; Q362-F1033 HydrophobicContact CG-CE2 4.49Å; Q362-F1033 HydrophobicContact CG-CG 4.46Å; Q362-E1071 PolarHBondContact NE2-OE1 2.66Å; Q362-I1073 HydrophobicContact CG-CD1 4.02Å
363V71.7Confident79.4Confident81 Ų8131.9 Ų31.949%0.49119%0.193SC..THydrogen-bonded Turntrans-55.6128.6167.2177.10000110.1A416 P418V363-A416 WeakPolarHBondContact CG1-O 3.48Å; V363-P418 HydrophobicContact CG2-CG 4.04Å
364G67.8Low79.3Confident31 Ų3133.3 Ų33.332%0.3220%0.203SC..THydrogen-bonded Turntrans99-15.5-172.900000114.6Q362 A366 R414 V415Q362-G364 PolarHBondContact O-N 2.75Å; G364-A366 PolarHBondContact O-N 2.98Å; G364-R414 PolarHBondContact O-NH1 2.84Å; G364-V415 PolarHBondContact N-O 2.87Å
365F71.6Confident79.2Confident41 Ų4129.1 Ų29.118%0.1817%0.174CC..PPolyproline II helixtrans-56.7124.9176.1177.6-97000111.1I357 A361 Q362 R414 V415 F1033I357-F365 HydrophobicContact CG2-CE1 3.98Å; A361-F365 HydrophobicContact CB-CB 4.31Å; A361-F365 HydrophobicContact CB-CD1 3.93Å; A361-F365 HydrophobicContact CB-CE1 4.47Å; A361-F365 HydrophobicContact CB-CG 4.09Å; Q362-F365 WeakPolarHBondContact O-CB 3.26Å; Q362-F365 PolarHBondContact O-N 3.27Å; F365-R414 CarbonylContact O-C 3.56Å; F365-R414 WeakPolarHBondContact O-CA 3.4Å; F365-V415 HydrophobicContact CB-CB 4.45Å; F365-V415 HydrophobicContact CB-CG2 4.09Å; F365-V415 HydrophobicContact CD1-CG2 4.16Å; F365-V415 PolarHBondContact O-N 2.92Å; F365-F1033 AromaticContact CD2-CD1 3.92Å; F365-F1033 HydrophobicContact CD2-CD1 3.92Å; F365-F1033 HydrophobicContact CD2-CE1 4.38Å; F365-F1033 HydrophobicContact CE2-CD1 4.42Å
366A73.1Confident78.9Confident28 Ų2832.3 Ų32.323%0.23119%0.186CC..BIsolated β-bridgetrans-86.8125.517800000110.7G364 R414G364-A366 PolarHBondContact O-N 2.98Å; A366-R414 HydrophobicContact CB-CG 4.05Å
367L79.3Confident78.7Confident9 Ų929.7 Ų29.75%0.04717%0.165CC..PPolyproline II helixtrans-64.2133.2175.1-73138.7000109.7V355 I357 L369 F398 I413 I448V355-L367 HydrophobicContact CG1-CD2 3.56Å; I357-L367 HydrophobicContact CD1-CD2 3.91Å; I357-L367 HydrophobicContact CG1-CD2 4.44Å; I357-L367 HydrophobicContact CG2-CD2 3.92Å; L367-L369 HydrophobicContact CB-CD1 4.33Å; L367-L369 HydrophobicContact CB-CG 4.27Å; L367-L369 PolarHBondContact O-N 2.8Å; L367-F398 HydrophobicContact CD1-CD1 3.71Å; L367-F398 HydrophobicContact CD1-CE1 3.86Å; L367-I413 HydrophobicContact CD1-CB 3.72Å; L367-I413 HydrophobicContact CD1-CG2 3.49Å; L367-I413 VanDerWaalsContact CD1-CG2 3.49Å; L367-I413 PolarHBondContact N-O 3.47Å; L367-I448 HydrophobicContact CD1-CD1 3.69Å; L367-I448 HydrophobicContact CD2-CD1 3.82Å; L367-I448 HydrophobicContact CD2-CG1 4.04Å; L367-I448 HydrophobicContact CD2-CG2 3.94Å; L367-I448 HydrophobicContact CG-CD1 4.45Å
368P72.2Confident78Confident47 Ų4732.8 Ų32.831%0.30518%0.179SC..  trans-75.639-178.231-36.3000114V355 R1010V355-P368 HydrophobicContact CG2-CG 3.86Å; P368-R1010 PolarHBondContact O-NH2 2.77Å
369L79.8Confident76.8Confident24 Ų2437.8 Ų37.813%0.12621%0.205CC..  trans-83.8145.2174.5-67177.1000110.6V355 L367 I371 V446V355-L369 HydrophobicContact CB-CD2 3.66Å; V355-L369 HydrophobicContact CB-CG 4.17Å; V355-L369 HydrophobicContact CG1-CD1 4.04Å; V355-L369 HydrophobicContact CG1-CD2 3.82Å; V355-L369 HydrophobicContact CG1-CG 3.89Å; L367-L369 HydrophobicContact CB-CD1 4.33Å; L367-L369 HydrophobicContact CB-CG 4.27Å; L367-L369 PolarHBondContact O-N 2.8Å; L369-I371 HydrophobicContact CB-CD1 4.21Å; L369-I371 HydrophobicContact CB-CG1 4.08Å; L369-I371 HydrophobicContact CD1-CD1 4.21Å; L369-V446 HydrophobicContact CD1-CG1 3.89Å
370F73.7Confident75.5Confident72 Ų7244.6 Ų44.632%0.31624%0.241SC..  trans-112.976.5175.1174.1-116.2000109.5N349 Y353 Q372 V1056N349-F370 WeakPolarHBondContact ND2-CD1 3.43Å; N349-F370 WeakPolarHBondContact ND2-CE1 3.32Å; N349-F370 PolarHBondContact ND2-O 2.84Å; N349-F370 VanDerWaalsContact ND2-O 3.16Å; N349-F370 PolarHBondContact OD1-O 3.25Å; Y353-F370 WeakPolarHBondContact CE1-O 3.41Å; F370-Q372 HydrophobicContact CD2-CG 4.4Å; F370-Q372 HydrophobicContact CE2-CG 3.68Å; F370-Q372 VanDerWaalsContact CZ-CD 3.44Å; F370-Q372 HydrophobicContact CZ-CG 3.77Å; F370-V1056 HydrophobicContact CD2-CG2 4.42Å
371I83.9Confident74.7Confident2 Ų243.7 Ų43.71%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-90.2105.6177.2-54167.1000106.5F348 Y353 L369 I411 I413 L431 V446F348-I371 HydrophobicContact CD1-CG2 3.77Å; F348-I371 HydrophobicContact CE1-CG2 3.85Å; Y353-I371 HydrophobicContact CD1-CG1 3.8Å; Y353-I371 HydrophobicContact CD2-CD1 4.44Å; Y353-I371 HydrophobicContact CD2-CG1 3.95Å; Y353-I371 HydrophobicContact CE1-CB 4.15Å; Y353-I371 HydrophobicContact CE1-CG1 3.81Å; Y353-I371 HydrophobicContact CE1-CG2 4.41Å; Y353-I371 HydrophobicContact CE2-CB 4.34Å; Y353-I371 HydrophobicContact CE2-CG1 3.96Å; Y353-I371 HydrophobicContact CE2-CG2 3.86Å; Y353-I371 HydrophobicContact CG-CG1 3.86Å; L369-I371 HydrophobicContact CB-CD1 4.21Å; L369-I371 HydrophobicContact CB-CG1 4.08Å; L369-I371 HydrophobicContact CD1-CD1 4.21Å; I371-I411 HydrophobicContact CB-CB 3.99Å; I371-I411 HydrophobicContact CG2-CB 3.7Å; I371-I411 HydrophobicContact CG2-CG1 4.27Å; I371-I411 HydrophobicContact CG2-CG2 4.13Å; I371-I411 PolarHBondContact O-N 2.85Å; I371-I413 HydrophobicContact CD1-CD1 3.58Å; I371-I413 HydrophobicContact CD1-CG1 4.04Å; I371-L431 HydrophobicContact CD1-CD2 4.14Å; I371-L431 HydrophobicContact CG2-CD2 3.76Å; I371-V446 HydrophobicContact CD1-CG2 4.4Å
372Q84.1Confident74.4Confident35 Ų3550.5 Ų50.516%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-102.1137.3162.3-74.4-170-18.700108.9F348 N349 F370 K408 A409 D410F348-Q372 WeakPolarHBondContact CA-O 3.42Å; N349-Q372 HydrophobicContact CB-CB 4.17Å; N349-Q372 PolarHBondContact N-O 3.38Å; N349-Q372 PolarHBondContact ND2-N 2.69Å; N349-Q372 PolarHBondContact OD1-N 3.04Å; N349-Q372 VanDerWaalsContact OD1-N 3.1Å; N349-Q372 PolarHBondContact OD1-O 3.18Å; F370-Q372 HydrophobicContact CD2-CG 4.4Å; F370-Q372 HydrophobicContact CE2-CG 3.68Å; F370-Q372 VanDerWaalsContact CZ-CD 3.44Å; F370-Q372 HydrophobicContact CZ-CG 3.77Å; Q372-K408 VanDerWaalsContact CD-CE 3.41Å; Q372-A409 WeakPolarHBondContact CA-O 3.02Å; Q372-D410 VanDerWaalsContact CG-OD1 3.22Å; Q372-D410 WeakPolarHBondContact CG-OD1 3.39Å; Q372-D410 PolarHBondContact NE2-OD1 3.36Å
373V87.8Confident74.7Confident0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-118.5135.3167.762.20000108P346 E347 F348 F386 K408 A409 I411 A433P346-V373 HydrophobicContact CB-CG2 3.72Å; E347-V373 WeakPolarHBondContact O-CA 3.5Å; F348-V373 HydrophobicContact CD1-CB 3.8Å; F348-V373 HydrophobicContact CD1-CG2 4.13Å; F348-V373 HydrophobicContact CE1-CB 3.68Å; F348-V373 HydrophobicContact CE1-CG1 4.47Å; F348-V373 HydrophobicContact CE1-CG2 3.96Å; F348-V373 HydrophobicContact CZ-CB 4.44Å; F348-V373 HydrophobicContact CZ-CG2 4.26Å; V373-F386 HydrophobicContact CB-CE2 4.23Å; V373-F386 HydrophobicContact CB-CZ 4.36Å; V373-F386 HydrophobicContact CG1-CE2 3.53Å; V373-F386 HydrophobicContact CG1-CZ 3.76Å; V373-F386 HydrophobicContact CG2-CE2 3.63Å; V373-F386 HydrophobicContact CG2-CZ 3.78Å; V373-K408 WeakPolarHBondContact O-CA 3.28Å; V373-A409 HydrophobicContact CG1-CB 4.32Å; V373-A409 PolarHBondContact N-O 3.3Å; V373-A409 VanDerWaalsContact N-O 3.1Å; V373-A409 PolarHBondContact O-N 3.23Å; V373-I411 HydrophobicContact CB-CG1 4.33Å; V373-I411 HydrophobicContact CG1-CD1 3.77Å; V373-I411 HydrophobicContact CG1-CG1 3.5Å; V373-I411 VanDerWaalsContact CG1-CG1 3.5Å; V373-A433 HydrophobicContact CG2-CB 3.83Å
374V86.4Confident75.2Confident45 Ų4546 Ų4627%0.27325%0.249SC..EExtended strand (participates in β ladder)trans-137110-177179.90000106.9E347 K376 K408E347-V374 PolarHBondContact N-O 3.15Å; E347-V374 PolarHBondContact O-N 2.69Å; V374-K376 HydrophobicContact CG1-CG 4.38Å; V374-K408 HydrophobicContact CG2-CB 4.32Å; V374-K408 HydrophobicContact CG2-CD 3.8Å; V374-K408 HydrophobicContact CG2-CG 3.88Å
375D86Confident75.8Confident2 Ų247.8 Ų47.81%0.01125%0.251CS..  trans-77.4151.4148.5-144-65.4000109.2N344 A345 P346 D377 F386 G407N344-D375 WeakPolarHBondContact CB-OD1 3.49Å; A345-D375 WeakPolarHBondContact CA-OD2 3.46Å; P346-D375 WeakPolarHBondContact CA-OD2 3.35Å; P346-D375 WeakPolarHBondContact CD-OD2 3.29Å; P346-D375 HydrophobicContact CG-CB 4.45Å; P346-D375 WeakPolarHBondContact CG-OD2 3.42Å; D375-D377 PolarHBondContact OD1-N 3.16Å; D375-F386 HydrophobicContact CB-CD1 4.12Å; D375-F386 HydrophobicContact CB-CE1 3.78Å; D375-G407 PolarHBondContact N-O 2.79Å
376K79.3Confident76.5Confident86 Ų8646 Ų4637%0.37424%0.243SC..  trans-104.2-22.4-176.7-52.4-176.7-16967.10112.2E302 N344 E347 V374E302-K376 HydrophobicContact CB-CB 4.45Å; E302-K376 HydrophobicContact CG-CB 3.47Å; E302-K376 VanDerWaalsContact CG-CB 3.47Å; E302-K376 WeakPolarHBondContact CG-O 3.22Å; N344-K376 HydrophobicContact CB-CB 4.3Å; E347-K376 WeakPolarHBondContact OE2-CE 3.47Å; E347-K376 IonicContact OE2-NZ 2.7Å; E347-K376 PolarHBondContact OE2-NZ 3.26Å; V374-K376 HydrophobicContact CG1-CG 4.38Å
377D79.1Confident77.3Confident0 Ų050.4 Ų50.40%026%0.259CS..SBendtrans-48.7155.9168.9-63.6-8.8000111N342 N344 D375 D379 N383 S384N342-D377 WeakPolarHBondContact CA-OD2 3.39Å; N342-D377 PolarHBondContact ND2-OD2 3.22Å; N344-D377 VanDerWaalsContact CB-OD1 3.28Å; N344-D377 WeakPolarHBondContact CB-OD1 3.39Å; N344-D377 PolarHBondContact N-OD1 3.08Å; N344-D377 PolarHBondContact ND2-OD1 2.84Å; D375-D377 PolarHBondContact OD1-N 3.16Å; D377-D379 PolarHBondContact O-N 2.98Å; D377-D379 VanDerWaalsContact O-N 3.1Å; D377-N383 HydrophobicContact CB-CB 4.09Å; D377-S384 WeakPolarHBondContact O-CB 3.46Å
378E69.9Low77.9Confident73 Ų7350.1 Ų50.134%0.34126%0.257SS..  trans-41.9115.4-169.3177.8168.9-140.400114.5R301 D340 L380 G381 S384R301-E378 IonicContact CZ-OE1 3.27Å; R301-E378 IonicContact CZ-OE2 2.63Å; R301-E378 IonicContact NH1-OE1 2.64Å; R301-E378 PolarHBondContact NH1-OE1 3.24Å; R301-E378 IonicContact NH1-OE2 3.78Å; R301-E378 PolarHBondContact NH1-OE2 2.95Å; R301-E378 IonicContact NH2-OE1 3.78Å; R301-E378 PolarHBondContact NH2-OE1 2.9Å; R301-E378 IonicContact NH2-OE2 3.71Å; D340-E378 HydrophobicContact CB-CB 4.42Å; D340-E378 WeakPolarHBondContact OD1-CB 3.29Å; D340-E378 PolarHBondContact OD1-N 2.65Å; E378-L380 PolarHBondContact O-N 3.25Å; E378-G381 PolarHBondContact O-N 2.85Å; E378-S384 PolarHBondContact O-OG 2.71Å
379D57.6Low78.7Confident112 Ų11252.1 Ų52.160%0.59926%0.259SS*.THydrogen-bonded Turntrans-50.2-21.9-179.5-85.2-50.9000114.8D377D377-D379 PolarHBondContact O-N 2.98Å; D377-D379 VanDerWaalsContact O-N 3.1Å
380L56.4Low79.2Confident151 Ų15152 Ų5279%0.79126%0.259SS*.THydrogen-bonded Turntrans-113.40.8-179.4-66171.6000113.4E378 Q406E378-L380 PolarHBondContact O-N 3.25Å; L380-Q406 PolarHBondContact O-NE2 3.45Å
381G63Low79.9Confident12 Ų1251.8 Ų51.812%0.12426%0.263CS..SBendtrans-88.7169.7-177.500000113.3E378 N383 Q406E378-G381 PolarHBondContact O-N 2.85Å; G381-N383 VanDerWaalsContact C-N 3.28Å; G381-Q406 PolarHBondContact O-NE2 3.06Å
382L69.5Low80Confident147 Ų14753.3 Ų53.377%0.7728%0.279SS*.SBendtrans-79.9-10.4173.4-76171.7000113.4M385L382-M385 WeakPolarHBondContact O-CB 3.46Å
383N77.6Confident80Confident48 Ų4858.2 Ų58.226%0.25731%0.306SS..THydrogen-bonded Turntrans-76.9-45.1-176.1-68.8-1.8000110.7D340 N342 D377 G381 M385 E435D340-N383 PolarHBondContact O-ND2 2.79Å; D340-N383 WeakPolarHBondContact OD2-CB 3.41Å; D340-N383 PolarHBondContact OD2-ND2 3.06Å; N342-N383 HydrophobicContact CB-CB 3.95Å; N342-N383 PolarHBondContact N-ND2 3.45Å; N342-N383 PolarHBondContact ND2-O 2.9Å; D377-N383 HydrophobicContact CB-CB 4.09Å; G381-N383 VanDerWaalsContact C-N 3.28Å; N383-M385 PolarHBondContact O-N 2.94Å; N383-E435 VanDerWaalsContact O-OE1 3.08Å
384S80.2Confident79.9Confident0 Ų059.9 Ų59.90%032%0.315CS..THydrogen-bonded Turntrans-72.122.5177.664.40000115.6D377 E378 F386 Q406 G407D377-S384 WeakPolarHBondContact O-CB 3.46Å; E378-S384 PolarHBondContact O-OG 2.71Å; S384-F386 WeakPolarHBondContact O-CD1 3.4Å; S384-Q406 CarbonylContact O-C 3.52Å; S384-Q406 VanDerWaalsContact O-CA 3.3Å; S384-Q406 WeakPolarHBondContact O-CA 3.22Å; S384-G407 PolarHBondContact O-N 2.69Å; S384-G407 PolarHBondContact OG-N 2.8Å
385M82.1Confident79.9Confident70 Ų7058.9 Ų58.935%0.34531%0.31SS..EExtended strand (participates in β ladder)trans-101.3110.4-174.2-79.1-71.1-40.500112L382 N383 V405 Q406L382-M385 WeakPolarHBondContact O-CB 3.46Å; N383-M385 PolarHBondContact O-N 2.94Å; M385-V405 WeakPolarHBondContact CA-O 3.3Å; M385-Q406 HydrophobicContact CG-CG 4.16Å; M385-Q406 HydrophobicContact SD-CB 3.57Å; M385-Q406 VanDerWaalsContact SD-CB 3.57Å; M385-Q406 HydrophobicContact SD-CG 3.6Å; M385-Q406 VanDerWaalsContact SD-CG 3.6Å
386F86.7Confident79.8Confident3 Ų364.6 Ų64.61%0.01334%0.337CS..EExtended strand (participates in β ladder)trans-135.8154-17656.3-92.8000114.3P346 V373 D375 S384 V388 S404 V405 G407 A433 N434 E435P346-F386 HydrophobicContact CB-CD1 4.06Å; P346-F386 HydrophobicContact CB-CD2 4.19Å; P346-F386 HydrophobicContact CB-CE1 4.16Å; P346-F386 HydrophobicContact CB-CE2 4.26Å; P346-F386 HydrophobicContact CB-CG 4.08Å; P346-F386 HydrophobicContact CB-CZ 4.24Å; P346-F386 HydrophobicContact CG-CB 3.84Å; P346-F386 HydrophobicContact CG-CD1 3.62Å; P346-F386 HydrophobicContact CG-CD2 4.17Å; P346-F386 HydrophobicContact CG-CE1 4.18Å; P346-F386 HydrophobicContact CG-CG 3.61Å; V373-F386 HydrophobicContact CB-CE2 4.23Å; V373-F386 HydrophobicContact CB-CZ 4.36Å; V373-F386 HydrophobicContact CG1-CE2 3.53Å; V373-F386 HydrophobicContact CG1-CZ 3.76Å; V373-F386 HydrophobicContact CG2-CE2 3.63Å; V373-F386 HydrophobicContact CG2-CZ 3.78Å; D375-F386 HydrophobicContact CB-CD1 4.12Å; D375-F386 HydrophobicContact CB-CE1 3.78Å; S384-F386 WeakPolarHBondContact O-CD1 3.4Å; F386-V388 HydrophobicContact CD2-CG2 3.63Å; F386-V388 HydrophobicContact CE2-CG2 3.66Å; F386-S404 WeakPolarHBondContact O-CA 3.31Å; F386-V405 HydrophobicContact CD2-CB 3.96Å; F386-V405 HydrophobicContact CE1-CB 4.27Å; F386-V405 HydrophobicContact CE1-CG1 3.91Å; F386-V405 HydrophobicContact CE2-CB 3.51Å; F386-V405 HydrophobicContact CE2-CG1 3.65Å; F386-V405 HydrophobicContact CE2-CG2 3.98Å; F386-V405 HydrophobicContact CZ-CB 3.69Å; F386-V405 HydrophobicContact CZ-CG1 3.3Å; F386-V405 HydrophobicContact CZ-CG2 4.48Å; F386-V405 PolarHBondContact N-O 3.15Å; F386-V405 VanDerWaalsContact N-O 3.09Å; F386-V405 PolarHBondContact O-N 3.18Å; F386-G407 WeakPolarHBondContact CE1-O 3.36Å; F386-A433 HydrophobicContact CD2-CB 3.83Å; F386-A433 HydrophobicContact CE2-CB 4.15Å; F386-N434 WeakPolarHBondContact CA-O 3.3Å; F386-N434 WeakPolarHBondContact CB-O 3.11Å; F386-E435 HydrophobicContact CB-CG 4.14Å
387E89.2Confident80.3Confident121 Ų12161.9 Ų61.957%0.56533%0.325SS*.EExtended strand (participates in β ladder)trans-101.8133.2175.3-66.3-166153.700111.4T403 A433 N434E387-T403 CarbonylContact C-O 3.6Å; E387-T403 VanDerWaalsContact CA-O 3.24Å; E387-T403 WeakPolarHBondContact CA-O 3.36Å; E387-A433 CarbonylContact O-C 3.42Å; E387-A433 WeakPolarHBondContact O-CA 3.46Å; E387-N434 PolarHBondContact N-O 3.31Å; E387-N434 PolarHBondContact O-N 2.56Å
388V90.5Very high80.9Confident2 Ų262.3 Ų62.31%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-113.5124-174.7-168.70000110.7F348 F386 I400 T403 V405 I411 L431 F432 A433F348-V388 HydrophobicContact CZ-CG1 4.39Å; F386-V388 HydrophobicContact CD2-CG2 3.63Å; F386-V388 HydrophobicContact CE2-CG2 3.66Å; V388-I400 HydrophobicContact CG1-CD1 3.77Å; V388-T403 PolarHBondContact N-O 2.94Å; V388-V405 HydrophobicContact CG2-CG2 3.96Å; V388-I411 HydrophobicContact CB-CD1 4.24Å; V388-I411 HydrophobicContact CG1-CD1 4.06Å; V388-I411 HydrophobicContact CG1-CG1 4.24Å; V388-I411 HydrophobicContact CG1-CG2 4.17Å; V388-I411 HydrophobicContact CG2-CD1 3.97Å; V388-L431 HydrophobicContact CG1-CD1 3.84Å; V388-F432 VanDerWaalsContact CA-O 3.31Å; V388-F432 WeakPolarHBondContact CA-O 3.47Å; V388-F432 WeakPolarHBondContact CG1-O 3.44Å; V388-A433 HydrophobicContact CG2-CB 4.09Å
389Y90.5Very high81.8Confident90 Ų9063.3 Ų63.335%0.35333%0.334SS..EExtended strand (participates in β ladder)trans-149.9156.4-173.259.2-86.7000113.9V391 F432 N434Y389-V391 HydrophobicContact CD2-CG2 3.61Å; Y389-V391 HydrophobicContact CE2-CG2 3.57Å; Y389-F432 HydrophobicContact CD1-CB 4.5Å; Y389-F432 HydrophobicContact CD2-CB 4.3Å; Y389-F432 HydrophobicContact CE1-CB 4.06Å; Y389-F432 HydrophobicContact CE2-CB 3.83Å; Y389-F432 HydrophobicContact CE2-CD2 4.06Å; Y389-F432 HydrophobicContact CE2-CG 4.19Å; Y389-F432 PolarHBondContact N-O 3.42Å; Y389-F432 PolarHBondContact O-N 3.16Å; Y389-N434 HydrophobicContact CE1-CB 3.69Å; Y389-N434 PolarHBondContact OH-OD1 2.99Å
390L90Very high83.2Confident22 Ų2259.2 Ų59.212%0.11531%0.312CS..EExtended strand (participates in β ladder)trans-104.6122.1179.9-70.5168.1000111.5S395 I400 I413 F429 L431 V446L390-S395 PolarHBondContact O-OG 2.76Å; L390-I400 HydrophobicContact CD1-CB 4.14Å; L390-I400 HydrophobicContact CD1-CD1 4.38Å; L390-I400 HydrophobicContact CD2-CD1 4.47Å; L390-I400 HydrophobicContact CG-CB 4.42Å; L390-I400 HydrophobicContact CG-CD1 3.97Å; L390-I413 HydrophobicContact CD1-CD1 4.14Å; L390-I413 HydrophobicContact CD1-CG1 4.29Å; L390-I413 HydrophobicContact CD1-CG2 3.94Å; L390-I413 HydrophobicContact CD2-CD1 4.09Å; L390-F429 HydrophobicContact CD2-CB 4.16Å; L390-F429 HydrophobicContact CD2-CD2 4.46Å; L390-L431 HydrophobicContact CD2-CB 4.02Å; L390-L431 HydrophobicContact CD2-CD1 3.81Å; L390-L431 HydrophobicContact CD2-CG 4.47Å; L390-L431 HydrophobicContact CG-CD1 4.38Å; L390-V446 HydrophobicContact CD2-CG2 4.43Å
391V87.6Confident84.3Confident67 Ų6754.8 Ų54.841%0.40629%0.294SS..EExtended strand (participates in β ladder)trans-112.4132.5174.5-175.10000109.4Y389 D430 F432Y389-V391 HydrophobicContact CD2-CG2 3.61Å; Y389-V391 HydrophobicContact CE2-CG2 3.57Å; V391-D430 PolarHBondContact N-O 2.84Å; V391-D430 PolarHBondContact O-N 3.48Å; V391-F432 HydrophobicContact CB-CD2 4.14Å; V391-F432 HydrophobicContact CB-CE2 3.95Å; V391-F432 HydrophobicContact CG2-CD2 3.73Å; V391-F432 HydrophobicContact CG2-CE2 3.92Å
392G86.7Confident85.2Confident34 Ų3456.7 Ų56.735%0.35130%0.304SS..SBendtrans165.1168.5176.600000111.5S395G392-S395 PolarHBondContact O-N 2.91Å; G392-S395 PolarHBondContact O-OG 2.8Å
393N83.7Confident85.8Confident137 Ų13753.5 Ų53.573%0.73329%0.29SS*.THydrogen-bonded Turntrans-66140.2167-16946.3000108.9S395 F429N393-S395 PolarHBondContact O-N 2.84Å; N393-S395 VanDerWaalsContact O-N 3.14Å; N393-F429 WeakPolarHBondContact O-CE1 3.08Å
394N85.8Confident86.1Confident35 Ų3554.3 Ų54.319%0.18730%0.3CS..THydrogen-bonded Turntrans58.314.9-176.2-54.2-8.1000116.2H396 H397 Y427N394-H396 PolarHBondContact O-N 3.34Å; N394-H396 VanDerWaalsContact O-N 3.1Å; N394-H397 WeakPolarHBondContact O-CB 3.47Å; N394-H397 PolarHBondContact O-N 2.77Å; N394-Y427 HydrophobicContact CB-CD1 3.95Å; N394-Y427 HydrophobicContact CB-CE1 3.79Å
395S86.2Confident86Confident25 Ų2554.8 Ų54.818%0.17530%0.303CS..G310 helixtrans-58.9-28.5179.667.50000113.6L390 G392 N393 H397 F398L390-S395 PolarHBondContact O-OG 2.76Å; G392-S395 PolarHBondContact O-N 2.91Å; G392-S395 PolarHBondContact O-OG 2.8Å; N393-S395 PolarHBondContact O-N 2.84Å; N393-S395 VanDerWaalsContact O-N 3.14Å; S395-H397 PolarHBondContact O-N 2.9Å; S395-H397 VanDerWaalsContact O-N 3.16Å; S395-F398 PolarHBondContact O-N 3.26Å
396H85Confident85.7Confident121 Ų12155.6 Ų55.656%0.5631%0.306SS*.G310 helixtrans-64.5-8.1173.573-76.7000115.6N394 F398N394-H396 PolarHBondContact O-N 3.34Å; N394-H396 VanDerWaalsContact O-N 3.1Å; H396-F398 PolarHBondContact O-N 3.23Å
397H90Very high85.4Confident30 Ų3055.9 Ų55.914%0.13931%0.31CS..G310 helixtrans-70.6-10.7167.5-70.6-150.4000111.7N394 S395 A416 I417 L419 Y427N394-H397 WeakPolarHBondContact O-CB 3.47Å; N394-H397 PolarHBondContact O-N 2.77Å; S395-H397 PolarHBondContact O-N 2.9Å; S395-H397 VanDerWaalsContact O-N 3.16Å; H397-A416 WeakPolarHBondContact O-CA 3.5Å; H397-A416 WeakPolarHBondContact O-CB 3.19Å; H397-A416 PolarHBondContact O-N 2.83Å; H397-I417 PolarHBondContact O-N 2.98Å; H397-L419 HydrophobicContact CB-CD2 4.44Å; H397-Y427 HydrophobicContact CB-CE1 4.07Å; H397-Y427 AromaticContact CG-CE1 3.89Å; H397-Y427 AromaticContact ND1-CE1 3.45Å; H397-Y427 WeakPolarHBondContact ND1-CE1 3.31Å; H397-Y427 AromaticContact ND1-CZ 3.64Å; H397-Y427 PolarHBondContact ND1-OH 2.91Å
398F91.4Very high85Confident9 Ų955.5 Ų55.54%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-131.6153.1-179.7-58.4-93.6000111L367 S395 H396 I413 R414 V415 L419 Y427 F429 I448L367-F398 HydrophobicContact CD1-CD1 3.71Å; L367-F398 HydrophobicContact CD1-CE1 3.86Å; S395-F398 PolarHBondContact O-N 3.26Å; H396-F398 PolarHBondContact O-N 3.23Å; F398-I413 HydrophobicContact CB-CG2 3.77Å; F398-I413 HydrophobicContact CD1-CG2 4.19Å; F398-I413 HydrophobicContact CG-CG2 4.27Å; F398-R414 CarbonylContact C-O 3.55Å; F398-R414 WeakPolarHBondContact CA-O 3.3Å; F398-R414 WeakPolarHBondContact CB-O 3.3Å; F398-V415 HydrophobicContact CD1-CG2 4.38Å; F398-V415 HydrophobicContact CE1-CG2 4Å; F398-L419 HydrophobicContact CE1-CD1 4.21Å; F398-L419 HydrophobicContact CE1-CD2 4.5Å; F398-L419 HydrophobicContact CE2-CD2 4.24Å; F398-L419 HydrophobicContact CZ-CD1 4.02Å; F398-L419 HydrophobicContact CZ-CD2 3.82Å; F398-Y427 AromaticContact CE2-CD1 3.78Å; F398-Y427 HydrophobicContact CE2-CD1 3.78Å; F398-Y427 HydrophobicContact CE2-CD2 4.07Å; F398-Y427 AromaticContact CE2-CE1 3.99Å; F398-Y427 HydrophobicContact CE2-CE1 3.99Å; F398-Y427 HydrophobicContact CE2-CE2 4.33Å; F398-Y427 AromaticContact CE2-CG 3.81Å; F398-Y427 HydrophobicContact CE2-CG 3.81Å; F398-Y427 HydrophobicContact CZ-CD2 4.21Å; F398-Y427 HydrophobicContact CZ-CE2 4.41Å; F398-Y427 HydrophobicContact CZ-CG 4.37Å; F398-F429 AromaticContact CD2-CE2 3.41Å; F398-F429 HydrophobicContact CD2-CE2 3.41Å; F398-F429 VanDerWaalsContact CD2-CE2 3.41Å; F398-F429 AromaticContact CD2-CZ 3.42Å; F398-F429 HydrophobicContact CD2-CZ 3.42Å; F398-F429 VanDerWaalsContact CD2-CZ 3.42Å; F398-F429 AromaticContact CE2-CE2 3.79Å; F398-F429 HydrophobicContact CE2-CE2 3.79Å; F398-F429 AromaticContact CE2-CZ 3.67Å; F398-F429 HydrophobicContact CE2-CZ 3.67Å; F398-F429 HydrophobicContact CG-CE2 4.08Å; F398-F429 HydrophobicContact CG-CZ 4.46Å; F398-I448 HydrophobicContact CD1-CD1 4.04Å; F398-I448 HydrophobicContact CD2-CD1 4.41Å; F398-I448 HydrophobicContact CE1-CD1 3.57Å; F398-I448 HydrophobicContact CE2-CD1 3.99Å; F398-I448 HydrophobicContact CG-CD1 4.43Å; F398-I448 HydrophobicContact CZ-CD1 3.55Å
399I88.5Confident84.4Confident94 Ų9456 Ų5648%0.48231%0.311SS..EExtended strand (participates in β ladder)trans-115.2152.5169.753173.3000110I413 R414 A416I399-I413 CarbonylContact O-C 3.58Å; I399-I413 WeakPolarHBondContact O-CA 3.45Å; I399-R414 HydrophobicContact CD1-CB 4.43Å; I399-R414 HydrophobicContact CG1-CB 3.96Å; I399-R414 PolarHBondContact N-O 2.98Å; I399-R414 PolarHBondContact O-N 2.84Å; I399-A416 HydrophobicContact CG1-CB 4.39Å; I399-A416 HydrophobicContact CG2-CB 3.87Å
400I86.2Confident84Confident25 Ų2554.8 Ų54.813%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-119140.8-179.9-172.2161.4000110.1V388 L390 T403 I411 R412 I413 L431V388-I400 HydrophobicContact CG1-CD1 3.77Å; L390-I400 HydrophobicContact CD1-CB 4.14Å; L390-I400 HydrophobicContact CD1-CD1 4.38Å; L390-I400 HydrophobicContact CD2-CD1 4.47Å; L390-I400 HydrophobicContact CG-CB 4.42Å; L390-I400 HydrophobicContact CG-CD1 3.97Å; I400-T403 HydrophobicContact CG2-CG2 4.21Å; I400-I411 HydrophobicContact CD1-CG2 3.58Å; I400-I411 HydrophobicContact CG1-CG2 3.71Å; I400-R412 CarbonylContact C-O 3.59Å; I400-R412 WeakPolarHBondContact CA-O 3.23Å; I400-I413 HydrophobicContact CG1-CG1 4.5Å; I400-L431 HydrophobicContact CD1-CD1 3.41Å; I400-L431 VanDerWaalsContact CD1-CD1 3.41Å
401S79.1Confident83.8Confident59 Ų5953.9 Ų53.941%0.41331%0.306SS..EExtended strand (participates in β ladder)trans-148.8136.2172.3123.50000111.1R412S401-R412 PolarHBondContact N-O 3.22Å; S401-R412 PolarHBondContact O-N 3.18Å
402P82.3Confident83.5Confident52 Ų5255.3 Ų55.334%0.33830%0.304SS..  cis-71.4166.8-11.332.7-37000113V405 A409 D410 I411P402-V405 HydrophobicContact CB-CG2 4.45Å; P402-V405 HydrophobicContact CG-CG2 4.02Å; P402-A409 HydrophobicContact CG-CB 4.04Å; P402-D410 WeakPolarHBondContact CD-O 3.44Å; P402-I411 HydrophobicContact CG-CD1 4.21Å
403T82.2Confident83.6Confident79 Ų7953.9 Ų53.949%0.48529%0.288SS..SBendtrans-108.9-10.5178.455.90000114.5E387 V388 I400E387-T403 CarbonylContact C-O 3.6Å; E387-T403 VanDerWaalsContact CA-O 3.24Å; E387-T403 WeakPolarHBondContact CA-O 3.36Å; V388-T403 PolarHBondContact N-O 2.94Å; I400-T403 HydrophobicContact CG2-CG2 4.21Å
404S83.3Confident83.7Confident66 Ų6650.9 Ų50.946%0.46227%0.266SS..EExtended strand (participates in β ladder)trans-138.9128.6178.9-110.90000107.4F386F386-S404 WeakPolarHBondContact O-CA 3.31Å
405V78.1Confident83.7Confident10.5 Ų10.549.3 Ų49.36%0.06426%0.258CS..EExtended strand (participates in β ladder)trans-137.9150.4-164.8179.10000109.8M385 F386 V388 P402 A409 I411M385-V405 WeakPolarHBondContact CA-O 3.3Å; F386-V405 HydrophobicContact CD2-CB 3.96Å; F386-V405 HydrophobicContact CE1-CB 4.27Å; F386-V405 HydrophobicContact CE1-CG1 3.91Å; F386-V405 HydrophobicContact CE2-CB 3.51Å; F386-V405 HydrophobicContact CE2-CG1 3.65Å; F386-V405 HydrophobicContact CE2-CG2 3.98Å; F386-V405 HydrophobicContact CZ-CB 3.69Å; F386-V405 HydrophobicContact CZ-CG1 3.3Å; F386-V405 HydrophobicContact CZ-CG2 4.48Å; F386-V405 PolarHBondContact N-O 3.15Å; F386-V405 VanDerWaalsContact N-O 3.09Å; F386-V405 PolarHBondContact O-N 3.18Å; V388-V405 HydrophobicContact CG2-CG2 3.96Å; P402-V405 HydrophobicContact CB-CG2 4.45Å; P402-V405 HydrophobicContact CG-CG2 4.02Å; V405-A409 HydrophobicContact CB-CB 4.24Å; V405-A409 HydrophobicContact CG1-CB 3.52Å; V405-A409 HydrophobicContact CG2-CB 3.59Å; V405-I411 HydrophobicContact CG2-CD1 4.14Å
406Q77.2Confident83.6Confident86 Ų8649.6 Ų49.640%0.40226%0.262SS..EExtended strand (participates in β ladder)trans-125.1126.1168.1-165.9171.511.100108.6L380 G381 S384 M385 K408L380-Q406 PolarHBondContact O-NE2 3.45Å; G381-Q406 PolarHBondContact O-NE2 3.06Å; S384-Q406 CarbonylContact O-C 3.52Å; S384-Q406 VanDerWaalsContact O-CA 3.3Å; S384-Q406 WeakPolarHBondContact O-CA 3.22Å; M385-Q406 HydrophobicContact CG-CG 4.16Å; M385-Q406 HydrophobicContact SD-CB 3.57Å; M385-Q406 VanDerWaalsContact SD-CB 3.57Å; M385-Q406 HydrophobicContact SD-CG 3.6Å; M385-Q406 VanDerWaalsContact SD-CG 3.6Å; Q406-K408 VanDerWaalsContact C-N 3.26Å; Q406-K408 PolarHBondContact O-N 2.93Å
407G78.9Confident83.5Confident10 Ų1047 Ų4710%0.10325%0.252CS..SBendtrans65.7-77.4-17800000114D375 S384 F386D375-G407 PolarHBondContact N-O 2.79Å; S384-G407 PolarHBondContact O-N 2.69Å; S384-G407 PolarHBondContact OG-N 2.8Å; F386-G407 WeakPolarHBondContact CE1-O 3.36Å
408K81Confident83.1Confident112 Ų11250.1 Ų50.149%0.48727%0.274SS..EExtended strand (participates in β ladder)trans-135.3138.5-172.4176.5165.3-169.21650114.2Q372 V373 V374 Q406Q372-K408 VanDerWaalsContact CD-CE 3.41Å; V373-K408 WeakPolarHBondContact O-CA 3.28Å; V374-K408 HydrophobicContact CG2-CB 4.32Å; V374-K408 HydrophobicContact CG2-CD 3.8Å; V374-K408 HydrophobicContact CG2-CG 3.88Å; Q406-K408 VanDerWaalsContact C-N 3.26Å; Q406-K408 PolarHBondContact O-N 2.93Å
409A79.6Confident82.8Confident13.5 Ų13.550.4 Ų50.411%0.11228%0.276CS..EExtended strand (participates in β ladder)trans-145.1151.416700000114.6Q372 V373 P402 V405 I411Q372-A409 WeakPolarHBondContact CA-O 3.02Å; V373-A409 HydrophobicContact CG1-CB 4.32Å; V373-A409 PolarHBondContact N-O 3.3Å; V373-A409 VanDerWaalsContact N-O 3.1Å; V373-A409 PolarHBondContact O-N 3.23Å; P402-A409 HydrophobicContact CG-CB 4.04Å; V405-A409 HydrophobicContact CB-CB 4.24Å; V405-A409 HydrophobicContact CG1-CB 3.52Å; V405-A409 HydrophobicContact CG2-CB 3.59Å; A409-I411 HydrophobicContact CB-CD1 3.87Å
410D81.7Confident82.6Confident63 Ų6349.1 Ų49.134%0.33727%0.27SS..EExtended strand (participates in β ladder)trans-88.2117.6160.9-67.2-34.5000109Q372 P402 V1056Q372-D410 VanDerWaalsContact CG-OD1 3.22Å; Q372-D410 WeakPolarHBondContact CG-OD1 3.39Å; Q372-D410 PolarHBondContact NE2-OD1 3.36Å; P402-D410 WeakPolarHBondContact CD-O 3.44Å; D410-V1056 WeakPolarHBondContact OD2-CG1 3.42Å
411I84.8Confident82.7Confident3 Ų350.1 Ų50.12%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-96.9127.9-174.6-56.2-56.5000109.9I371 V373 V388 I400 P402 V405 A409I371-I411 HydrophobicContact CB-CB 3.99Å; I371-I411 HydrophobicContact CG2-CB 3.7Å; I371-I411 HydrophobicContact CG2-CG1 4.27Å; I371-I411 HydrophobicContact CG2-CG2 4.13Å; I371-I411 PolarHBondContact O-N 2.85Å; V373-I411 HydrophobicContact CB-CG1 4.33Å; V373-I411 HydrophobicContact CG1-CD1 3.77Å; V373-I411 HydrophobicContact CG1-CG1 3.5Å; V373-I411 VanDerWaalsContact CG1-CG1 3.5Å; V388-I411 HydrophobicContact CB-CD1 4.24Å; V388-I411 HydrophobicContact CG1-CD1 4.06Å; V388-I411 HydrophobicContact CG1-CG1 4.24Å; V388-I411 HydrophobicContact CG1-CG2 4.17Å; V388-I411 HydrophobicContact CG2-CD1 3.97Å; I400-I411 HydrophobicContact CD1-CG2 3.58Å; I400-I411 HydrophobicContact CG1-CG2 3.71Å; P402-I411 HydrophobicContact CG-CD1 4.21Å; V405-I411 HydrophobicContact CG2-CD1 4.14Å; A409-I411 HydrophobicContact CB-CD1 3.87Å
412R82.7Confident82.9Confident98 Ų9849.8 Ų49.837%0.3727%0.265SS..EExtended strand (participates in β ladder)trans-115.6132.8-179.3-63.9-129.3-178.6137.1-8.7110.3I400 S401 D1040 G1041I400-R412 CarbonylContact C-O 3.59Å; I400-R412 WeakPolarHBondContact CA-O 3.23Å; S401-R412 PolarHBondContact N-O 3.22Å; S401-R412 PolarHBondContact O-N 3.18Å; R412-D1040 WeakPolarHBondContact CD-O 3.42Å; R412-D1040 IonicContact CZ-OD2 2.69Å; R412-D1040 PolarHBondContact NE-O 3.46Å; R412-D1040 PolarHBondContact NH1-O 3.18Å; R412-D1040 IonicContact NH1-OD2 3.45Å; R412-D1040 IonicContact NH2-OD2 3.8Å; R412-D1040 PolarHBondContact NH2-OD2 2.77Å; R412-G1041 PolarHBondContact NE-O 2.89Å
413I88Confident83Confident3.5 Ų3.552 Ų522%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-112.6133.7174.2-49.9177.2000108.3L367 I371 L390 F398 I399 I400 V446L367-I413 HydrophobicContact CD1-CB 3.72Å; L367-I413 HydrophobicContact CD1-CG2 3.49Å; L367-I413 VanDerWaalsContact CD1-CG2 3.49Å; L367-I413 PolarHBondContact N-O 3.47Å; I371-I413 HydrophobicContact CD1-CD1 3.58Å; I371-I413 HydrophobicContact CD1-CG1 4.04Å; L390-I413 HydrophobicContact CD1-CD1 4.14Å; L390-I413 HydrophobicContact CD1-CG1 4.29Å; L390-I413 HydrophobicContact CD1-CG2 3.94Å; L390-I413 HydrophobicContact CD2-CD1 4.09Å; F398-I413 HydrophobicContact CB-CG2 3.77Å; F398-I413 HydrophobicContact CD1-CG2 4.19Å; F398-I413 HydrophobicContact CG-CG2 4.27Å; I399-I413 CarbonylContact O-C 3.58Å; I399-I413 WeakPolarHBondContact O-CA 3.45Å; I400-I413 HydrophobicContact CG1-CG1 4.5Å; I413-V446 HydrophobicContact CD1-CB 4.41Å; I413-V446 HydrophobicContact CD1-CG1 3.89Å; I413-V446 HydrophobicContact CD1-CG2 3.85Å
414R86Confident83.2Confident73.5 Ų73.549.3 Ų49.328%0.27726%0.261SS..EExtended strand (participates in β ladder)trans-130.4148.5-179.4-59.9177.9175.9-101.85111.6G364 F365 A366 F398 I399 N1038 V1039 D1040G364-R414 PolarHBondContact O-NH1 2.84Å; F365-R414 CarbonylContact O-C 3.56Å; F365-R414 WeakPolarHBondContact O-CA 3.4Å; A366-R414 HydrophobicContact CB-CG 4.05Å; F398-R414 CarbonylContact C-O 3.55Å; F398-R414 WeakPolarHBondContact CA-O 3.3Å; F398-R414 WeakPolarHBondContact CB-O 3.3Å; I399-R414 HydrophobicContact CD1-CB 4.43Å; I399-R414 HydrophobicContact CG1-CB 3.96Å; I399-R414 PolarHBondContact N-O 2.98Å; I399-R414 PolarHBondContact O-N 2.84Å; R414-N1038 PolarHBondContact NH2-O 3.18Å; R414-V1039 PolarHBondContact NH2-O 3.31Å; R414-D1040 PolarHBondContact NH2-O 3.37Å
415V86.3Confident83.2Confident1.5 Ų1.549.3 Ų49.31%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-62.2131.5170.2-177.50000109.6A361 G364 F365 F398 I417 L419A361-V415 HydrophobicContact CB-CG2 4.29Å; G364-V415 PolarHBondContact N-O 2.87Å; F365-V415 HydrophobicContact CB-CB 4.45Å; F365-V415 HydrophobicContact CB-CG2 4.09Å; F365-V415 HydrophobicContact CD1-CG2 4.16Å; F365-V415 PolarHBondContact O-N 2.92Å; F398-V415 HydrophobicContact CD1-CG2 4.38Å; F398-V415 HydrophobicContact CE1-CG2 4Å; V415-I417 WeakPolarHBondContact CG1-O 3.26Å; V415-L419 HydrophobicContact CG1-CD1 4.06Å; V415-L419 HydrophobicContact CG1-CD2 4.32Å; V415-L419 HydrophobicContact CG1-CG 3.92Å; V415-L419 HydrophobicContact CG2-CD1 3.89Å
416A83.2Confident83.8Confident33 Ų3355.2 Ų55.227%0.27328%0.277SS..  trans-113.8-24.1-17700000113.6V363 H397 I399V363-A416 WeakPolarHBondContact CG1-O 3.48Å; H397-A416 WeakPolarHBondContact O-CA 3.5Å; H397-A416 WeakPolarHBondContact O-CB 3.19Å; H397-A416 PolarHBondContact O-N 2.83Å; I399-A416 HydrophobicContact CG1-CB 4.39Å; I399-A416 HydrophobicContact CG2-CB 3.87Å
417I83.3Confident84.4Confident66 Ų6651.4 Ų51.434%0.33826%0.259SS..SBendtrans-136145.9-178.6-58.2179.5000106.4H397 V415 L419H397-I417 PolarHBondContact O-N 2.98Å; V415-I417 WeakPolarHBondContact CG1-O 3.26Å; I417-L419 PolarHBondContact O-N 2.67Å
418P80.9Confident84.9Confident94 Ų9454.6 Ų54.661%0.6127%0.274SS*.  trans-51.4141.9173.9-26.636.1000111.6V363V363-P418 HydrophobicContact CG2-CG 4.04Å
419L86.3Confident85.3Confident15 Ų1549.4 Ų49.48%0.07925%0.251CS..  trans-98.3154.9178.9-54.6174000108.9I357 H397 F398 V415 I417 Y427 L450I357-L419 HydrophobicContact CD1-CD1 3.61Å; H397-L419 HydrophobicContact CB-CD2 4.44Å; F398-L419 HydrophobicContact CE1-CD1 4.21Å; F398-L419 HydrophobicContact CE1-CD2 4.5Å; F398-L419 HydrophobicContact CE2-CD2 4.24Å; F398-L419 HydrophobicContact CZ-CD1 4.02Å; F398-L419 HydrophobicContact CZ-CD2 3.82Å; V415-L419 HydrophobicContact CG1-CD1 4.06Å; V415-L419 HydrophobicContact CG1-CD2 4.32Å; V415-L419 HydrophobicContact CG1-CG 3.92Å; V415-L419 HydrophobicContact CG2-CD1 3.89Å; I417-L419 PolarHBondContact O-N 2.67Å; L419-Y427 HydrophobicContact CD2-CE2 4.21Å; L419-Y427 WeakPolarHBondContact CD2-OH 3.23Å; L419-L450 HydrophobicContact CB-CD1 4.1Å; L419-L450 HydrophobicContact CB-CD2 4.47Å; L419-L450 HydrophobicContact CD1-CD2 3.94Å
420D83.8Confident85.8Confident67.5 Ų67.551.1 Ų51.136%0.36126%0.258SS..  trans-159.6115.3-166.2163-45000104.2E422 T423 V424D420-E422 VanDerWaalsContact C-N 3.31Å; D420-E422 PolarHBondContact OD1-N 3.1Å; D420-T423 WeakPolarHBondContact CB-OG1 3.32Å; D420-T423 PolarHBondContact O-OG1 3.27Å; D420-T423 VanDerWaalsContact OD1-CB 3.25Å; D420-T423 WeakPolarHBondContact OD1-CB 3.39Å; D420-T423 VanDerWaalsContact OD1-CG2 3.24Å; D420-T423 WeakPolarHBondContact OD1-CG2 3.45Å; D420-T423 PolarHBondContact OD1-N 2.83Å; D420-T423 PolarHBondContact OD1-OG1 2.77Å; D420-V424 PolarHBondContact O-N 3.22Å; D420-V424 VanDerWaalsContact O-N 3.1Å
421Y87.2Confident86.2Confident46.5 Ų46.548.1 Ų48.118%0.18224%0.242CC..THydrogen-bonded Turntrans-71.9-38.3-172.6-172.1-75.1000111.1E359 T423 V424 D425 L450 N452 V489E359-Y421 WeakPolarHBondContact OE2-CB 3.39Å; E359-Y421 PolarHBondContact OE2-N 3.16Å; Y421-T423 VanDerWaalsContact C-N 3.27Å; Y421-T423 PolarHBondContact O-N 3.19Å; Y421-V424 CarbonylContact O-C 3.55Å; Y421-V424 PolarHBondContact O-N 2.88Å; Y421-D425 HydrophobicContact CD1-CB 3.96Å; Y421-D425 HydrophobicContact CE1-CB 3.88Å; Y421-D425 VanDerWaalsContact CE1-CB 3.49Å; Y421-D425 HydrophobicContact CE2-CB 4.28Å; Y421-D425 PolarHBondContact O-N 3.12Å; Y421-D425 VanDerWaalsContact O-N 3.1Å; Y421-L450 HydrophobicContact CD2-CB 3.5Å; Y421-L450 VanDerWaalsContact CD2-CB 3.45Å; Y421-L450 HydrophobicContact CE2-CB 4.07Å; Y421-L450 WeakPolarHBondContact CE2-O 3.36Å; Y421-L450 HydrophobicContact CG-CB 4.36Å; Y421-N452 HydrophobicContact CD1-CB 4.16Å; Y421-N452 WeakPolarHBondContact CD1-OD1 3.35Å; Y421-N452 VanDerWaalsContact CD2-CA 3.47Å; Y421-N452 HydrophobicContact CD2-CB 3.81Å; Y421-N452 HydrophobicContact CE1-CB 4.1Å; Y421-N452 WeakPolarHBondContact CE1-OD1 3.42Å; Y421-N452 HydrophobicContact CE2-CB 3.74Å; Y421-N452 HydrophobicContact CG-CB 4.06Å; Y421-V489 HydrophobicContact CD1-CB 3.77Å; Y421-V489 HydrophobicContact CD1-CG1 4.19Å; Y421-V489 HydrophobicContact CD1-CG2 3.92Å; Y421-V489 HydrophobicContact CE1-CB 3.67Å; Y421-V489 HydrophobicContact CE1-CG1 3.78Å; Y421-V489 HydrophobicContact CE1-CG2 4.16Å
422E84.4Confident86.5Confident52 Ų5250.2 Ų50.224%0.24325%0.251CS..THydrogen-bonded Turntrans-61.6-31.1-178.1-74.453.6-119.500112.4D420 N487 D488 V489D420-E422 VanDerWaalsContact C-N 3.31Å; D420-E422 PolarHBondContact OD1-N 3.1Å; E422-N487 VanDerWaalsContact CG-O 3.23Å; E422-N487 WeakPolarHBondContact CG-O 3.21Å; E422-D488 WeakPolarHBondContact OE1-CA 3.16Å; E422-V489 HydrophobicContact CB-CG2 4.29Å; E422-V489 HydrophobicContact CG-CG2 4.03Å; E422-V489 WeakPolarHBondContact OE1-CG2 3.19Å; E422-V489 PolarHBondContact OE1-N 3.11Å
423T83.6Confident86.8Confident98.5 Ų98.545.5 Ų45.560%0.60423%0.234SC*.THydrogen-bonded Turntrans-90.7-37.9173.1590000113.4D420 Y421D420-T423 WeakPolarHBondContact CB-OG1 3.32Å; D420-T423 PolarHBondContact O-OG1 3.27Å; D420-T423 VanDerWaalsContact OD1-CB 3.25Å; D420-T423 WeakPolarHBondContact OD1-CB 3.39Å; D420-T423 VanDerWaalsContact OD1-CG2 3.24Å; D420-T423 WeakPolarHBondContact OD1-CG2 3.45Å; D420-T423 PolarHBondContact OD1-N 2.83Å; D420-T423 PolarHBondContact OD1-OG1 2.77Å; Y421-T423 VanDerWaalsContact C-N 3.27Å; Y421-T423 PolarHBondContact O-N 3.19Å
424V86.1Confident86.6Confident22 Ų2247.8 Ų47.813%0.13325%0.246CC..  trans-14988.8-176.7-1670000113.2D420 Y421 R426 Y427 L450D420-V424 PolarHBondContact O-N 3.22Å; D420-V424 VanDerWaalsContact O-N 3.1Å; Y421-V424 CarbonylContact O-C 3.55Å; Y421-V424 PolarHBondContact O-N 2.88Å; V424-R426 VanDerWaalsContact C-N 3.35Å; V424-R426 VanDerWaalsContact CG1-O 3.23Å; V424-R426 WeakPolarHBondContact CG1-O 3.31Å; V424-R426 PolarHBondContact O-N 3.09Å; V424-R426 VanDerWaalsContact O-N 3.1Å; V424-Y427 HydrophobicContact CB-CE1 4.19Å; V424-Y427 HydrophobicContact CB-CE2 4.24Å; V424-Y427 WeakPolarHBondContact CB-OH 3.36Å; V424-Y427 HydrophobicContact CG1-CD1 4.01Å; V424-Y427 HydrophobicContact CG1-CD2 4.34Å; V424-Y427 HydrophobicContact CG1-CE1 3.58Å; V424-Y427 VanDerWaalsContact CG1-CE1 3.47Å; V424-Y427 HydrophobicContact CG1-CE2 3.88Å; V424-Y427 HydrophobicContact CG1-CG 4.39Å; V424-Y427 VanDerWaalsContact CG1-CZ 3.48Å; V424-Y427 HydrophobicContact CG2-CE1 4.46Å; V424-L450 VanDerWaalsContact O-CD1 3.23Å; V424-L450 WeakPolarHBondContact O-CD1 3.3Å
425D84.1Confident86.3Confident66 Ų6644.9 Ų44.935%0.35324%0.236SC..SBendtrans-57.7-31.2-178.977.3-34.5000115.4Y421 L450Y421-D425 HydrophobicContact CD1-CB 3.96Å; Y421-D425 HydrophobicContact CE1-CB 3.88Å; Y421-D425 VanDerWaalsContact CE1-CB 3.49Å; Y421-D425 HydrophobicContact CE2-CB 4.28Å; Y421-D425 PolarHBondContact O-N 3.12Å; Y421-D425 VanDerWaalsContact O-N 3.1Å; D425-L450 WeakPolarHBondContact O-CB 3.3Å; D425-L450 PolarHBondContact O-N 2.94Å
426R89.8Confident85.5Confident135.5 Ų135.548.8 Ų48.851%0.51126%0.263SS..EExtended strand (participates in β ladder)trans-152.2157.9-179.876.9-168.1118.3153.9-1.7112.8V424 D428 I448V424-R426 VanDerWaalsContact C-N 3.35Å; V424-R426 VanDerWaalsContact CG1-O 3.23Å; V424-R426 WeakPolarHBondContact CG1-O 3.31Å; V424-R426 PolarHBondContact O-N 3.09Å; V424-R426 VanDerWaalsContact O-N 3.1Å; R426-D428 IonicContact NH1-OD2 2.75Å; R426-D428 PolarHBondContact NH1-OD2 2.87Å; R426-D428 VanDerWaalsContact NH1-OD2 3.08Å; R426-I448 CarbonylContact C-O 3.57Å; R426-I448 VanDerWaalsContact CA-O 3.23Å; R426-I448 WeakPolarHBondContact CA-O 3.47Å
427Y89.9Confident84.7Confident5 Ų549.5 Ų49.52%0.0226%0.264CS..EExtended strand (participates in β ladder)trans-124.4114172.9-56-99.2000109.4N394 H397 F398 L419 V424 F429 K447 I448 L450N394-Y427 HydrophobicContact CB-CD1 3.95Å; N394-Y427 HydrophobicContact CB-CE1 3.79Å; H397-Y427 HydrophobicContact CB-CE1 4.07Å; H397-Y427 AromaticContact CG-CE1 3.89Å; H397-Y427 AromaticContact ND1-CE1 3.45Å; H397-Y427 WeakPolarHBondContact ND1-CE1 3.31Å; H397-Y427 AromaticContact ND1-CZ 3.64Å; H397-Y427 PolarHBondContact ND1-OH 2.91Å; F398-Y427 AromaticContact CE2-CD1 3.78Å; F398-Y427 HydrophobicContact CE2-CD1 3.78Å; F398-Y427 HydrophobicContact CE2-CD2 4.07Å; F398-Y427 AromaticContact CE2-CE1 3.99Å; F398-Y427 HydrophobicContact CE2-CE1 3.99Å; F398-Y427 HydrophobicContact CE2-CE2 4.33Å; F398-Y427 AromaticContact CE2-CG 3.81Å; F398-Y427 HydrophobicContact CE2-CG 3.81Å; F398-Y427 HydrophobicContact CZ-CD2 4.21Å; F398-Y427 HydrophobicContact CZ-CE2 4.41Å; F398-Y427 HydrophobicContact CZ-CG 4.37Å; L419-Y427 HydrophobicContact CD2-CE2 4.21Å; L419-Y427 WeakPolarHBondContact CD2-OH 3.23Å; V424-Y427 HydrophobicContact CB-CE1 4.19Å; V424-Y427 HydrophobicContact CB-CE2 4.24Å; V424-Y427 WeakPolarHBondContact CB-OH 3.36Å; V424-Y427 HydrophobicContact CG1-CD1 4.01Å; V424-Y427 HydrophobicContact CG1-CD2 4.34Å; V424-Y427 HydrophobicContact CG1-CE1 3.58Å; V424-Y427 VanDerWaalsContact CG1-CE1 3.47Å; V424-Y427 HydrophobicContact CG1-CE2 3.88Å; V424-Y427 HydrophobicContact CG1-CG 4.39Å; V424-Y427 VanDerWaalsContact CG1-CZ 3.48Å; V424-Y427 HydrophobicContact CG2-CE1 4.46Å; Y427-F429 VanDerWaalsContact CB-CE2 3.45Å; Y427-F429 VanDerWaalsContact CB-CZ 3.48Å; Y427-F429 AromaticContact CD1-CE1 3.99Å; Y427-F429 HydrophobicContact CD1-CE1 4.18Å; Y427-F429 HydrophobicContact CD1-CE2 4.28Å; Y427-F429 AromaticContact CD1-CZ 3.62Å; Y427-F429 HydrophobicContact CD1-CZ 3.62Å; Y427-F429 HydrophobicContact CG-CE1 4.41Å; Y427-F429 HydrophobicContact CG-CE2 4.15Å; Y427-F429 AromaticContact CG-CZ 3.92Å; Y427-F429 HydrophobicContact CG-CZ 3.92Å; Y427-K447 WeakPolarHBondContact O-CA 3.27Å; Y427-I448 HydrophobicContact CD2-CB 4.41Å; Y427-I448 PolarHBondContact N-O 2.8Å; Y427-I448 PolarHBondContact O-N 2.8Å; Y427-L450 HydrophobicContact CD2-CD2 4.47Å; Y427-L450 HydrophobicContact CE2-CD1 4.08Å; Y427-L450 HydrophobicContact CE2-CD2 4.15Å; Y427-L450 HydrophobicContact CE2-CG 4.1Å
428D89.8Confident83.8Confident78 Ų7851.8 Ų51.842%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-101110.5168.4-80.8-74.8000107.8R426 K447R426-D428 IonicContact NH1-OD2 2.75Å; R426-D428 PolarHBondContact NH1-OD2 2.87Å; R426-D428 VanDerWaalsContact NH1-OD2 3.08Å; D428-K447 WeakPolarHBondContact OD1-CD 3.35Å; D428-K447 VanDerWaalsContact OD1-CE 3.3Å; D428-K447 WeakPolarHBondContact OD1-CE 3.48Å; D428-K447 WeakPolarHBondContact OD1-CG 3.49Å
429F89Confident83.3Confident2.5 Ų2.554.1 Ų54.11%0.01129%0.29CS..EExtended strand (participates in β ladder)trans-113.3143.2176.8-56.8-48.1000111.6L390 N393 F398 Y427 K445 V446 I448L390-F429 HydrophobicContact CD2-CB 4.16Å; L390-F429 HydrophobicContact CD2-CD2 4.46Å; N393-F429 WeakPolarHBondContact O-CE1 3.08Å; F398-F429 AromaticContact CD2-CE2 3.41Å; F398-F429 HydrophobicContact CD2-CE2 3.41Å; F398-F429 VanDerWaalsContact CD2-CE2 3.41Å; F398-F429 AromaticContact CD2-CZ 3.42Å; F398-F429 HydrophobicContact CD2-CZ 3.42Å; F398-F429 VanDerWaalsContact CD2-CZ 3.42Å; F398-F429 AromaticContact CE2-CE2 3.79Å; F398-F429 HydrophobicContact CE2-CE2 3.79Å; F398-F429 AromaticContact CE2-CZ 3.67Å; F398-F429 HydrophobicContact CE2-CZ 3.67Å; F398-F429 HydrophobicContact CG-CE2 4.08Å; F398-F429 HydrophobicContact CG-CZ 4.46Å; Y427-F429 VanDerWaalsContact CB-CE2 3.45Å; Y427-F429 VanDerWaalsContact CB-CZ 3.48Å; Y427-F429 AromaticContact CD1-CE1 3.99Å; Y427-F429 HydrophobicContact CD1-CE1 4.18Å; Y427-F429 HydrophobicContact CD1-CE2 4.28Å; Y427-F429 AromaticContact CD1-CZ 3.62Å; Y427-F429 HydrophobicContact CD1-CZ 3.62Å; Y427-F429 HydrophobicContact CG-CE1 4.41Å; Y427-F429 HydrophobicContact CG-CE2 4.15Å; Y427-F429 AromaticContact CG-CZ 3.92Å; Y427-F429 HydrophobicContact CG-CZ 3.92Å; F429-K445 WeakPolarHBondContact O-CA 3.22Å; F429-V446 HydrophobicContact CB-CB 4.3Å; F429-V446 HydrophobicContact CD2-CG1 4.45Å; F429-V446 PolarHBondContact N-O 2.95Å; F429-V446 PolarHBondContact O-N 3.07Å; F429-I448 HydrophobicContact CD2-CD1 4.27Å; F429-I448 HydrophobicContact CE2-CD1 3.99Å
430D90Very high82.8Confident49.5 Ų49.555.7 Ų55.727%0.26530%0.297SS..EExtended strand (participates in β ladder)trans-90.6117.3164.1-68.9-48.6000108.2V391 F432 Y443 K445V391-D430 PolarHBondContact N-O 2.84Å; V391-D430 PolarHBondContact O-N 3.48Å; D430-F432 HydrophobicContact CB-CD2 4.18Å; D430-F432 HydrophobicContact CB-CE2 3.46Å; D430-F432 HydrophobicContact CB-CZ 3.89Å; D430-Y443 HydrophobicContact CB-CE2 3.92Å; D430-Y443 VanDerWaalsContact OD1-CE2 3.3Å; D430-Y443 WeakPolarHBondContact OD1-CE2 3.15Å; D430-Y443 PolarHBondContact OD1-OH 2.89Å; D430-K445 IonicContact OD1-NZ 3.38Å; D430-K445 PolarHBondContact OD1-NZ 3.2Å; D430-K445 IonicContact OD2-NZ 3.63Å
431L91.3Very high82.7Confident0 Ų055.3 Ų55.30%030%0.297CS..EExtended strand (participates in β ladder)trans-96.3116.4175.1177.766.3000108.1F348 Y353 I371 V388 L390 I400 Y443 A444 V446F348-L431 HydrophobicContact CD1-CD2 4.17Å; F348-L431 HydrophobicContact CE1-CD2 3.56Å; F348-L431 HydrophobicContact CE1-CG 3.93Å; F348-L431 HydrophobicContact CE2-CD2 4.45Å; F348-L431 HydrophobicContact CE2-CG 4.11Å; F348-L431 HydrophobicContact CZ-CD1 4.21Å; F348-L431 HydrophobicContact CZ-CD2 3.74Å; F348-L431 HydrophobicContact CZ-CG 3.54Å; Y353-L431 HydrophobicContact CE2-CD2 4.38Å; I371-L431 HydrophobicContact CD1-CD2 4.14Å; I371-L431 HydrophobicContact CG2-CD2 3.76Å; V388-L431 HydrophobicContact CG1-CD1 3.84Å; L390-L431 HydrophobicContact CD2-CB 4.02Å; L390-L431 HydrophobicContact CD2-CD1 3.81Å; L390-L431 HydrophobicContact CD2-CG 4.47Å; L390-L431 HydrophobicContact CG-CD1 4.38Å; I400-L431 HydrophobicContact CD1-CD1 3.41Å; I400-L431 VanDerWaalsContact CD1-CD1 3.41Å; L431-Y443 WeakPolarHBondContact O-CA 3.19Å; L431-A444 WeakPolarHBondContact CA-O 3.3Å; L431-A444 WeakPolarHBondContact CB-O 3.33Å; L431-A444 PolarHBondContact N-O 3Å; L431-A444 PolarHBondContact O-N 2.87Å; L431-V446 HydrophobicContact CB-CG2 3.96Å; L431-V446 HydrophobicContact CD2-CG2 4.07Å
432F90Very high82.6Confident47 Ų4753.3 Ų53.321%0.20629%0.29CS..EExtended strand (participates in β ladder)trans-109139.2178.4-66.6-77.5000110.4V388 Y389 V391 D430 V441 G442 Y443V388-F432 VanDerWaalsContact CA-O 3.31Å; V388-F432 WeakPolarHBondContact CA-O 3.47Å; V388-F432 WeakPolarHBondContact CG1-O 3.44Å; Y389-F432 HydrophobicContact CD1-CB 4.5Å; Y389-F432 HydrophobicContact CD2-CB 4.3Å; Y389-F432 HydrophobicContact CE1-CB 4.06Å; Y389-F432 HydrophobicContact CE2-CB 3.83Å; Y389-F432 HydrophobicContact CE2-CD2 4.06Å; Y389-F432 HydrophobicContact CE2-CG 4.19Å; Y389-F432 PolarHBondContact N-O 3.42Å; Y389-F432 PolarHBondContact O-N 3.16Å; V391-F432 HydrophobicContact CB-CD2 4.14Å; V391-F432 HydrophobicContact CB-CE2 3.95Å; V391-F432 HydrophobicContact CG2-CD2 3.73Å; V391-F432 HydrophobicContact CG2-CE2 3.92Å; D430-F432 HydrophobicContact CB-CD2 4.18Å; D430-F432 HydrophobicContact CB-CE2 3.46Å; D430-F432 HydrophobicContact CB-CZ 3.89Å; F432-V441 HydrophobicContact CD1-CG1 3.58Å; F432-V441 HydrophobicContact CE1-CG1 4.28Å; F432-V441 HydrophobicContact CG-CG1 4.45Å; F432-G442 WeakPolarHBondContact CA-O 3.39Å; F432-Y443 AromaticContact CD1-CD2 3.82Å; F432-Y443 HydrophobicContact CD1-CD2 3.94Å; F432-Y443 HydrophobicContact CD1-CE2 4.47Å; F432-Y443 AromaticContact CE1-CD2 3.52Å; F432-Y443 HydrophobicContact CE1-CD2 3.52Å; F432-Y443 VanDerWaalsContact CE1-CD2 3.48Å; F432-Y443 AromaticContact CE1-CE2 3.82Å; F432-Y443 HydrophobicContact CE1-CE2 4.01Å; F432-Y443 AromaticContact CZ-CD2 3.86Å; F432-Y443 HydrophobicContact CZ-CD2 4.04Å; F432-Y443 HydrophobicContact CZ-CE2 4.06Å
433A89.1Confident82.8Confident0 Ų055.5 Ų55.50%030%0.297CS..EExtended strand (participates in β ladder)trans-115.8100.3160.400000106.5P346 F348 V373 F386 E387 V388 V441 G442P346-A433 HydrophobicContact CB-CB 3.75Å; P346-A433 HydrophobicContact CG-CB 4.34Å; F348-A433 HydrophobicContact CE2-CB 3.84Å; F348-A433 HydrophobicContact CZ-CB 3.63Å; V373-A433 HydrophobicContact CG2-CB 3.83Å; F386-A433 HydrophobicContact CD2-CB 3.83Å; F386-A433 HydrophobicContact CE2-CB 4.15Å; E387-A433 CarbonylContact O-C 3.42Å; E387-A433 WeakPolarHBondContact O-CA 3.46Å; V388-A433 HydrophobicContact CG2-CB 4.09Å; A433-V441 CarbonylContact O-C 3.57Å; A433-V441 WeakPolarHBondContact O-CA 3.24Å; A433-G442 PolarHBondContact N-O 3.17Å; A433-G442 PolarHBondContact O-N 2.84Å
434N84.6Confident83.2Confident51.5 Ų51.550.9 Ų50.928%0.27527%0.269SS..EExtended strand (participates in β ladder)trans-107.5127.3-169-165.562000109.9F386 E387 Y389 V441F386-N434 WeakPolarHBondContact CA-O 3.3Å; F386-N434 WeakPolarHBondContact CB-O 3.11Å; E387-N434 PolarHBondContact N-O 3.31Å; E387-N434 PolarHBondContact O-N 2.56Å; Y389-N434 HydrophobicContact CE1-CB 3.69Å; Y389-N434 PolarHBondContact OH-OD1 2.99Å; N434-V441 WeakPolarHBondContact OD1-CG2 3.15Å
435E80.1Confident83.3Confident12 Ų1253.2 Ų53.26%0.05628%0.277CS..  trans-79.5175.3-178.4-65.6-163.7149.100113.1N342 P346 N383 F386 V437 H440N342-E435 PolarHBondContact ND2-OE2 3.18Å; N342-E435 PolarHBondContact OD1-OE2 3.21Å; P346-E435 VanDerWaalsContact CD-CG 3.49Å; P346-E435 HydrophobicContact CG-CG 3.64Å; N383-E435 VanDerWaalsContact O-OE1 3.08Å; F386-E435 HydrophobicContact CB-CG 4.14Å; E435-V437 VanDerWaalsContact C-N 3.26Å; E435-V437 PolarHBondContact O-N 2.79Å; E435-H440 HydrophobicContact CB-CB 3.89Å; E435-H440 HydrophobicContact CG-CB 3.74Å; E435-H440 PolarHBondContact N-O 3.12Å; E435-H440 VanDerWaalsContact OE1-CB 3.29Å; E435-H440 WeakPolarHBondContact OE1-CB 3.49Å; E435-H440 VanDerWaalsContact OE2-CB 3.23Å; E435-H440 WeakPolarHBondContact OE2-CB 3.1Å; E435-H440 IonicContact OE2-CG 2.87Å; E435-H440 IonicContact OE2-ND1 3.18Å; E435-H440 PolarHBondContact OE2-ND1 2.88Å
436S69.4Low83.6Confident84 Ų8450.1 Ų50.159%0.58726%0.26SS*.SBendtrans-70.5-14.3170.28.20000113.5
437V66.9Low83.6Confident47 Ų4746.5 Ų46.529%0.28525%0.249SC..SBendtrans-110131.7-178.8-171.20000109.7N342 E435 D439 H440N342-V437 WeakPolarHBondContact OD1-CB 3.18Å; N342-V437 WeakPolarHBondContact OD1-CG2 3.39Å; E435-V437 VanDerWaalsContact C-N 3.26Å; E435-V437 PolarHBondContact O-N 2.79Å; V437-D439 VanDerWaalsContact C-N 3.29Å; V437-D439 PolarHBondContact O-N 2.95Å; V437-D439 VanDerWaalsContact O-N 3.12Å; V437-H440 HydrophobicContact CB-CB 4.25Å; V437-H440 HydrophobicContact CG1-CB 4.41Å; V437-H440 PolarHBondContact O-N 3.17Å; V437-H440 VanDerWaalsContact O-N 3.14Å
438P63.4Low83.7Confident113.5 Ų113.546.4 Ų46.474%0.73725%0.248SC*.THydrogen-bonded Turntrans-70.1-7.5-161.2-23.835.4000118.1
439D69.7Low83.5Confident142.5 Ų142.546 Ų4676%0.76225%0.249SC*.THydrogen-bonded Turntrans-100-14-171.8-68.8-49000113.6V437V437-D439 VanDerWaalsContact C-N 3.29Å; V437-D439 PolarHBondContact O-N 2.95Å; V437-D439 VanDerWaalsContact O-N 3.12Å
440H75.9Confident83.5Confident49 Ų4946.3 Ų46.323%0.22725%0.25CS..  trans-113118.8-178.9-70.4163.5000112.5N342 N344 A345 E435 V437N342-H440 PolarHBondContact O-CE1 2.74Å; N342-H440 VanDerWaalsContact O-CE1 3.29Å; N342-H440 PolarHBondContact OD1-ND1 2.98Å; N344-H440 PolarHBondContact O-CE1 3.27Å; N344-H440 PolarHBondContact O-ND1 2.79Å; A345-H440 HydrophobicContact CB-CB 3.81Å; E435-H440 HydrophobicContact CB-CB 3.89Å; E435-H440 HydrophobicContact CG-CB 3.74Å; E435-H440 PolarHBondContact N-O 3.12Å; E435-H440 VanDerWaalsContact OE1-CB 3.29Å; E435-H440 WeakPolarHBondContact OE1-CB 3.49Å; E435-H440 VanDerWaalsContact OE2-CB 3.23Å; E435-H440 WeakPolarHBondContact OE2-CB 3.1Å; E435-H440 IonicContact OE2-CG 2.87Å; E435-H440 IonicContact OE2-ND1 3.18Å; E435-H440 PolarHBondContact OE2-ND1 2.88Å; V437-H440 HydrophobicContact CB-CB 4.25Å; V437-H440 HydrophobicContact CG1-CB 4.41Å; V437-H440 PolarHBondContact O-N 3.17Å; V437-H440 VanDerWaalsContact O-N 3.14Å
441V82.9Confident83.2Confident58.5 Ų58.547.3 Ų47.336%0.35526%0.255SS..EExtended strand (participates in β ladder)trans-141.4111.5-172.7-174.60000109.5F432 A433 N434 Y443F432-V441 HydrophobicContact CD1-CG1 3.58Å; F432-V441 HydrophobicContact CE1-CG1 4.28Å; F432-V441 HydrophobicContact CG-CG1 4.45Å; A433-V441 CarbonylContact O-C 3.57Å; A433-V441 WeakPolarHBondContact O-CA 3.24Å; N434-V441 WeakPolarHBondContact OD1-CG2 3.15Å; V441-Y443 PolarHBondContact O-N 2.75Å
442G84.5Confident82.8Confident4.5 Ų4.548.6 Ų48.65%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-65.6130.9165.400000109.7P346 F432 A433P346-G442 WeakPolarHBondContact O-CA 3.22Å; F432-G442 WeakPolarHBondContact CA-O 3.39Å; A433-G442 PolarHBondContact N-O 3.17Å; A433-G442 PolarHBondContact O-N 2.84Å
443Y89Confident82.5Confident100 Ų10048.5 Ų48.539%0.39226%0.262SS..EExtended strand (participates in β ladder)trans-134.9129.1-176177-104.3000112.1D430 L431 F432 V441 K445D430-Y443 HydrophobicContact CB-CE2 3.92Å; D430-Y443 VanDerWaalsContact OD1-CE2 3.3Å; D430-Y443 WeakPolarHBondContact OD1-CE2 3.15Å; D430-Y443 PolarHBondContact OD1-OH 2.89Å; L431-Y443 WeakPolarHBondContact O-CA 3.19Å; F432-Y443 AromaticContact CD1-CD2 3.82Å; F432-Y443 HydrophobicContact CD1-CD2 3.94Å; F432-Y443 HydrophobicContact CD1-CE2 4.47Å; F432-Y443 AromaticContact CE1-CD2 3.52Å; F432-Y443 HydrophobicContact CE1-CD2 3.52Å; F432-Y443 VanDerWaalsContact CE1-CD2 3.48Å; F432-Y443 AromaticContact CE1-CE2 3.82Å; F432-Y443 HydrophobicContact CE1-CE2 4.01Å; F432-Y443 AromaticContact CZ-CD2 3.86Å; F432-Y443 HydrophobicContact CZ-CD2 4.04Å; F432-Y443 HydrophobicContact CZ-CE2 4.06Å; V441-Y443 PolarHBondContact O-N 2.75Å; Y443-K445 HydrophobicContact CE1-CG 4.32Å; Y443-K445 WeakPolarHBondContact OH-CE 3.34Å; Y443-K445 VanDerWaalsContact OH-CG 3.29Å; Y443-K445 WeakPolarHBondContact OH-CG 3.33Å; Y443-K445 PolarHBondContact OH-NZ 3.36Å
444A90.8Very high82Confident0 Ų050.1 Ų50.10%027%0.27CS..EExtended strand (participates in β ladder)trans-141.7155.8167.100000111F348 S350 S351 Y353 L431F348-A444 HydrophobicContact CB-CB 4.03Å; F348-A444 HydrophobicContact CD2-CB 3.8Å; F348-A444 HydrophobicContact CE2-CB 4.43Å; F348-A444 HydrophobicContact CG-CB 3.91Å; S350-A444 WeakPolarHBondContact O-CB 3.35Å; S351-A444 WeakPolarHBondContact O-CA 3.39Å; Y353-A444 HydrophobicContact CD2-CB 4.04Å; Y353-A444 HydrophobicContact CE2-CB 3.6Å; L431-A444 WeakPolarHBondContact CA-O 3.3Å; L431-A444 WeakPolarHBondContact CB-O 3.33Å; L431-A444 PolarHBondContact N-O 3Å; L431-A444 PolarHBondContact O-N 2.87Å
445K90.1Very high81.8Confident72 Ų7250.8 Ų50.831%0.31327%0.274SS..EExtended strand (participates in β ladder)trans-92.9139.2167.9-73.5-165.9168.2-113.70111.3S351 E352 Y353 F429 D430 Y443S351-K445 PolarHBondContact O-N 2.9Å; E352-K445 CarbonylContact C-O 3.55Å; E352-K445 WeakPolarHBondContact CA-O 3.46Å; E352-K445 HydrophobicContact CB-CB 4.48Å; E352-K445 HydrophobicContact CG-CB 4.14Å; Y353-K445 PolarHBondContact N-O 3.3Å; F429-K445 WeakPolarHBondContact O-CA 3.22Å; D430-K445 IonicContact OD1-NZ 3.38Å; D430-K445 PolarHBondContact OD1-NZ 3.2Å; D430-K445 IonicContact OD2-NZ 3.63Å; Y443-K445 HydrophobicContact CE1-CG 4.32Å; Y443-K445 WeakPolarHBondContact OH-CE 3.34Å; Y443-K445 VanDerWaalsContact OH-CG 3.29Å; Y443-K445 WeakPolarHBondContact OH-CG 3.33Å; Y443-K445 PolarHBondContact OH-NZ 3.36Å
446V90.3Very high81.6Confident0 Ų052.5 Ų52.50%028%0.284CS..EExtended strand (participates in β ladder)trans-114.5117.5168177.50000108Y353 L369 I371 L390 I413 F429 L431 I448Y353-V446 HydrophobicContact CD2-CG2 4.26Å; Y353-V446 CarbonylContact O-C 3.55Å; Y353-V446 WeakPolarHBondContact O-CA 3.18Å; L369-V446 HydrophobicContact CD1-CG1 3.89Å; I371-V446 HydrophobicContact CD1-CG2 4.4Å; L390-V446 HydrophobicContact CD2-CG2 4.43Å; I413-V446 HydrophobicContact CD1-CB 4.41Å; I413-V446 HydrophobicContact CD1-CG1 3.89Å; I413-V446 HydrophobicContact CD1-CG2 3.85Å; F429-V446 HydrophobicContact CB-CB 4.3Å; F429-V446 HydrophobicContact CD2-CG1 4.45Å; F429-V446 PolarHBondContact N-O 2.95Å; F429-V446 PolarHBondContact O-N 3.07Å; L431-V446 HydrophobicContact CB-CG2 3.96Å; L431-V446 HydrophobicContact CD2-CG2 4.07Å; V446-I448 HydrophobicContact CG1-CD1 4.42Å; V446-I448 HydrophobicContact CG1-CG1 4.12Å
447K90Very high82.3Confident61 Ų6153.9 Ų53.927%0.26528%0.276SS..EExtended strand (participates in β ladder)trans-112.9120.7176.9-56.2-166.1-176.9145.60109.9E352 Y353 S354 V355 Y427 D428E352-K447 VanDerWaalsContact CD-CE 3.43Å; E352-K447 WeakPolarHBondContact OE1-CE 3.37Å; E352-K447 IonicContact OE1-NZ 2.78Å; E352-K447 PolarHBondContact OE1-NZ 3.09Å; E352-K447 VanDerWaalsContact OE2-CE 3.27Å; E352-K447 WeakPolarHBondContact OE2-CE 3.48Å; E352-K447 IonicContact OE2-NZ 3.97Å; E352-K447 PolarHBondContact OE2-NZ 3.31Å; Y353-K447 PolarHBondContact O-N 3.16Å; S354-K447 WeakPolarHBondContact CA-O 3.3Å; V355-K447 PolarHBondContact N-O 3.43Å; Y427-K447 WeakPolarHBondContact O-CA 3.27Å; D428-K447 WeakPolarHBondContact OD1-CD 3.35Å; D428-K447 VanDerWaalsContact OD1-CE 3.3Å; D428-K447 WeakPolarHBondContact OD1-CE 3.48Å; D428-K447 WeakPolarHBondContact OD1-CG 3.49Å
448I90.2Very high83.3Confident1 Ų151.7 Ų51.71%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-116.4107175-50.2173000106.3V355 I357 L367 F398 R426 Y427 F429 V446 L450V355-I448 HydrophobicContact CG1-CG1 4.18Å; V355-I448 HydrophobicContact CG1-CG2 4.39Å; V355-I448 WeakPolarHBondContact O-CA 3.27Å; I357-I448 HydrophobicContact CD1-CG2 3.98Å; I357-I448 HydrophobicContact CG1-CG2 3.82Å; L367-I448 HydrophobicContact CD1-CD1 3.69Å; L367-I448 HydrophobicContact CD2-CD1 3.82Å; L367-I448 HydrophobicContact CD2-CG1 4.04Å; L367-I448 HydrophobicContact CD2-CG2 3.94Å; L367-I448 HydrophobicContact CG-CD1 4.45Å; F398-I448 HydrophobicContact CD1-CD1 4.04Å; F398-I448 HydrophobicContact CD2-CD1 4.41Å; F398-I448 HydrophobicContact CE1-CD1 3.57Å; F398-I448 HydrophobicContact CE2-CD1 3.99Å; F398-I448 HydrophobicContact CG-CD1 4.43Å; F398-I448 HydrophobicContact CZ-CD1 3.55Å; R426-I448 CarbonylContact C-O 3.57Å; R426-I448 VanDerWaalsContact CA-O 3.23Å; R426-I448 WeakPolarHBondContact CA-O 3.47Å; Y427-I448 HydrophobicContact CD2-CB 4.41Å; Y427-I448 PolarHBondContact N-O 2.8Å; Y427-I448 PolarHBondContact O-N 2.8Å; F429-I448 HydrophobicContact CD2-CD1 4.27Å; F429-I448 HydrophobicContact CE2-CD1 3.99Å; V446-I448 HydrophobicContact CG1-CD1 4.42Å; V446-I448 HydrophobicContact CG1-CG1 4.12Å; I448-L450 HydrophobicContact CG2-CD2 4.39Å
449T87.3Confident84.3Confident70.5 Ų70.551.2 Ų51.243%0.43325%0.253SS..EExtended strand (participates in β ladder)trans-88.7127.116849.40000108V355 A356 I357V355-T449 PolarHBondContact O-N 2.79Å; V355-T449 PolarHBondContact O-OG1 3.32Å; A356-T449 VanDerWaalsContact CA-O 3.28Å; A356-T449 WeakPolarHBondContact CA-O 3.42Å; I357-T449 PolarHBondContact N-O 3.22Å
450L88.3Confident85.2Confident9.5 Ų9.545.5 Ų45.55%0.0522%0.221CC..EExtended strand (participates in β ladder)trans-72.2155.8167.8-59.6-167.3000109.7I357 E359 L419 Y421 V424 D425 Y427 I448I357-L450 HydrophobicContact CD1-CD2 4.18Å; I357-L450 HydrophobicContact CG1-CD2 3.86Å; I357-L450 CarbonylContact O-C 3.5Å; I357-L450 WeakPolarHBondContact O-CA 3.3Å; E359-L450 HydrophobicContact CB-CD1 4.17Å; L419-L450 HydrophobicContact CB-CD1 4.1Å; L419-L450 HydrophobicContact CB-CD2 4.47Å; L419-L450 HydrophobicContact CD1-CD2 3.94Å; Y421-L450 HydrophobicContact CD2-CB 3.5Å; Y421-L450 VanDerWaalsContact CD2-CB 3.45Å; Y421-L450 HydrophobicContact CE2-CB 4.07Å; Y421-L450 WeakPolarHBondContact CE2-O 3.36Å; Y421-L450 HydrophobicContact CG-CB 4.36Å; V424-L450 VanDerWaalsContact O-CD1 3.23Å; V424-L450 WeakPolarHBondContact O-CD1 3.3Å; D425-L450 WeakPolarHBondContact O-CB 3.3Å; D425-L450 PolarHBondContact O-N 2.94Å; Y427-L450 HydrophobicContact CD2-CD2 4.47Å; Y427-L450 HydrophobicContact CE2-CD1 4.08Å; Y427-L450 HydrophobicContact CE2-CD2 4.15Å; Y427-L450 HydrophobicContact CE2-CG 4.1Å; I448-L450 HydrophobicContact CG2-CD2 4.39Å
451I83.5Confident85.6Confident69 Ų6946.7 Ų46.735%0.35424%0.235SC..EExtended strand (participates in β ladder)trans-104.9117168.8-57.1171.6000105.5A356 I357 E453A356-I451 HydrophobicContact CB-CD1 4.02Å; A356-I451 HydrophobicContact CB-CG1 4.05Å; I357-I451 PolarHBondContact O-N 3.33Å; I451-E453 PolarHBondContact O-N 2.95Å
452N83.4Confident85.6Confident28.5 Ų28.548.6 Ų48.615%0.15224%0.24CC..  trans-64.2121.6176.5-161.7131.2000109.4E359 Y421 V489 F492E359-N452 WeakPolarHBondContact OE1-CA 3.4Å; Y421-N452 HydrophobicContact CD1-CB 4.16Å; Y421-N452 WeakPolarHBondContact CD1-OD1 3.35Å; Y421-N452 VanDerWaalsContact CD2-CA 3.47Å; Y421-N452 HydrophobicContact CD2-CB 3.81Å; Y421-N452 HydrophobicContact CE1-CB 4.1Å; Y421-N452 WeakPolarHBondContact CE1-OD1 3.42Å; Y421-N452 HydrophobicContact CE2-CB 3.74Å; Y421-N452 HydrophobicContact CG-CB 4.06Å; N452-V489 PolarHBondContact ND2-O 2.84Å; N452-V489 VanDerWaalsContact OD1-C 3.22Å; N452-V489 WeakPolarHBondContact OD1-CB 3.34Å; N452-V489 PolarHBondContact OD1-O 2.85Å; N452-V489 VanDerWaalsContact OD1-O 3.05Å; N452-F492 VanDerWaalsContact ND2-CD2 3.32Å; N452-F492 WeakPolarHBondContact ND2-CD2 3.24Å
453E82.2Confident85.1Confident45 Ų4554.4 Ų54.421%0.2128%0.277CS..PPolyproline II helixtrans-102.2170.3169.3-56.6-67.6173.700109.7T358 E359 L360 I451 D455 F492 R1048T358-E453 VanDerWaalsContact OG1-CG 3.29Å; T358-E453 WeakPolarHBondContact OG1-CG 3.43Å; T358-E453 PolarHBondContact OG1-OE1 2.94Å; E359-E453 PolarHBondContact OE1-N 2.96Å; L360-E453 HydrophobicContact CD1-CB 4.26Å; L360-E453 HydrophobicContact CD1-CG 3.88Å; L360-E453 HydrophobicContact CG-CB 4.49Å; L360-E453 HydrophobicContact CG-CG 4.08Å; I451-E453 PolarHBondContact O-N 2.95Å; E453-D455 VanDerWaalsContact C-N 3.29Å; E453-D455 PolarHBondContact O-N 3.44Å; E453-F492 VanDerWaalsContact C-CD2 3.49Å; E453-F492 WeakPolarHBondContact O-CD2 3.32Å; E453-R1048 IonicContact OE1-CZ 2.73Å; E453-R1048 IonicContact OE1-NH2 3.98Å; E453-R1048 PolarHBondContact OE1-NH2 2.87Å; E453-R1048 IonicContact OE2-CZ 2.7Å; E453-R1048 IonicContact OE2-NH2 3.03Å; E453-R1048 PolarHBondContact OE2-NH2 2.93Å
454N80.2Confident84.9Confident32.5 Ų32.552.7 Ų52.717%0.17427%0.274CS..  trans-98.868.1176.5-160.2117.2000108.8D488 F492 D537 G539N454-D488 VanDerWaalsContact C-OD2 3.28Å; N454-D488 WeakPolarHBondContact CA-OD2 3.27Å; N454-F492 HydrophobicContact CB-CB 4.26Å; N454-F492 HydrophobicContact CB-CD1 4.22Å; N454-F492 HydrophobicContact CB-CD2 3.77Å; N454-F492 HydrophobicContact CB-CE2 4.13Å; N454-F492 HydrophobicContact CB-CG 3.84Å; N454-F492 HydrophobicContact CB-CZ 4.47Å; N454-F492 VanDerWaalsContact OD1-CB 3.28Å; N454-F492 WeakPolarHBondContact OD1-CB 3.36Å; N454-F492 WeakPolarHBondContact OD1-CD1 3.29Å; N454-F492 WeakPolarHBondContact OD1-CG 3.11Å; N454-D537 PolarHBondContact ND2-OD2 3.06Å; N454-D537 PolarHBondContact OD1-OD2 2.94Å; N454-G539 VanDerWaalsContact OD1-CA 3.31Å; N454-G539 WeakPolarHBondContact OD1-CA 3.45Å; N454-G539 PolarHBondContact OD1-N 3.45Å
455D78.7Confident84.6Confident67.5 Ų67.553.3 Ų53.336%0.36128%0.277SS..  trans-90-20.5-168.6141.6-60.8000113.5E453 D488 R1081E453-D455 VanDerWaalsContact C-N 3.29Å; E453-D455 PolarHBondContact O-N 3.44Å; D455-D488 PolarHBondContact N-OD2 2.81Å; D455-R1081 IonicContact OD2-CZ 3.53Å; D455-R1081 IonicContact OD2-NH1 3.73Å; D455-R1081 PolarHBondContact OD2-NH1 3.12Å; D455-R1081 IonicContact OD2-NH2 2.72Å; D455-R1081 PolarHBondContact OD2-NH2 3.1Å
456N77.8Confident84.4Confident47 Ų4754.1 Ų54.125%0.25128%0.284SS..SBendtrans-96-170.8169.7-63.2-95.1000111.1D486 N487 D488N456-D486 WeakPolarHBondContact CB-OD1 3.07Å; N456-N487 HydrophobicContact CB-CB 4.2Å; N456-N487 PolarHBondContact OD1-ND2 3.02Å; N456-D488 WeakPolarHBondContact CB-OD1 3.37Å; N456-D488 PolarHBondContact N-OD1 3.08Å; N456-D488 VanDerWaalsContact N-OD1 3.09Å; N456-D488 PolarHBondContact N-OD2 2.89Å; N456-D488 PolarHBondContact ND2-OD1 3.15Å
457R82.7Confident84.4Confident114 Ų11455.7 Ų55.743%0.4329%0.294SS..  trans-158.8158.2176.264.8175.2116.1-141-9.7110.8I459 D486 E541R457-I459 WeakPolarHBondContact O-CG1 3.41Å; R457-I459 PolarHBondContact O-N 2.96Å; R457-D486 VanDerWaalsContact C-CG 3.46Å; R457-D486 WeakPolarHBondContact CA-OD2 3.36Å; R457-D486 PolarHBondContact N-OD1 2.8Å; R457-D486 PolarHBondContact N-OD2 3.4Å; R457-E541 HydrophobicContact CB-CB 4.25Å; R457-E541 IonicContact CZ-OE2 2.81Å; R457-E541 IonicContact NH1-OE2 2.87Å; R457-E541 PolarHBondContact NH1-OE2 2.62Å; R457-E541 IonicContact NH2-OE2 3.15Å; R457-E541 PolarHBondContact NH2-OE2 3.1Å
458P87.6Confident84.2Confident0 Ų055.8 Ų55.80%030%0.303CS..  trans-70.4119.3-171.7-22.934000113.2A484 D486 V495 A535 D537 T543P458-A484 HydrophobicContact CB-CB 4.3Å; P458-D486 WeakPolarHBondContact CA-OD2 3.14Å; P458-D486 WeakPolarHBondContact CD-OD2 3.26Å; P458-D486 WeakPolarHBondContact CG-OD2 3.35Å; P458-V495 HydrophobicContact CB-CG1 4.01Å; P458-V495 HydrophobicContact CB-CG2 3.96Å; P458-V495 HydrophobicContact CG-CG1 4.42Å; P458-V495 HydrophobicContact CG-CG2 4.11Å; P458-A535 HydrophobicContact CB-CB 3.91Å; P458-D537 HydrophobicContact CG-CB 3.94Å; P458-T543 WeakPolarHBondContact O-CB 3.41Å; P458-T543 WeakPolarHBondContact O-CG2 3.44Å; P458-T543 PolarHBondContact O-OG1 3.33Å
459I84.8Confident84.1Confident104 Ų10456.4 Ų56.453%0.53331%0.306SS..EExtended strand (participates in β ladder)trans-108.8116.3-179.9-60.3176.2000111.4R457 S461 A484 T485R457-I459 WeakPolarHBondContact O-CG1 3.41Å; R457-I459 PolarHBondContact O-N 2.96Å; I459-S461 PolarHBondContact O-N 3.44Å; I459-A484 CarbonylContact O-C 3.6Å; I459-A484 VanDerWaalsContact O-CA 3.23Å; I459-A484 WeakPolarHBondContact O-CA 3.33Å; I459-T485 PolarHBondContact N-O 3.03Å; I459-T485 PolarHBondContact O-N 3Å; I459-T485 VanDerWaalsContact O-N 3.11Å
460F88.5Confident84.1Confident21.5 Ų21.559.5 Ų59.59%0.09431%0.311CS..EExtended strand (participates in β ladder)trans-63.7132.4171.9-77.3-70.8000112.6Q462 Y465 V482 L483 A484 Y497 V533 A535 T543 G545F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.08Å; F460-Y465 HydrophobicContact CD1-CE2 4.05Å; F460-V482 HydrophobicContact CD1-CB 4.13Å; F460-V482 HydrophobicContact CE1-CB 4.08Å; F460-V482 HydrophobicContact CE1-CG2 4.21Å; F460-L483 WeakPolarHBondContact CA-O 3.2Å; F460-A484 HydrophobicContact CD1-CB 3.78Å; F460-A484 HydrophobicContact CE1-CB 4.01Å; F460-A484 HydrophobicContact CG-CB 4.1Å; F460-A484 HydrophobicContact CZ-CB 4.46Å; F460-Y497 HydrophobicContact CE1-CD1 4.2Å; F460-Y497 AromaticContact CE1-CE1 3.96Å; F460-Y497 HydrophobicContact CE1-CE1 4.04Å; F460-Y497 HydrophobicContact CZ-CD1 4.47Å; F460-V533 HydrophobicContact CE1-CG1 4.39Å; F460-V533 HydrophobicContact CZ-CB 4.27Å; F460-V533 HydrophobicContact CZ-CG1 4Å; F460-A535 HydrophobicContact CE1-CB 4.11Å; F460-A535 HydrophobicContact CE2-CB 3.76Å; F460-A535 HydrophobicContact CZ-CB 3.5Å; F460-A535 VanDerWaalsContact CZ-CB 3.48Å; F460-T543 HydrophobicContact CD2-CG2 4.07Å; F460-T543 WeakPolarHBondContact CE2-O 3.38Å; F460-G545 VanDerWaalsContact CE2-N 3.3Å
461S85.2Confident84Confident74 Ų7459.9 Ų59.952%0.51731%0.312SS..SBendtrans-63.7-17.9178.659.20000115.2I459 Y465 L483I459-S461 PolarHBondContact O-N 3.44Å; S461-Y465 PolarHBondContact OG-OH 3.26Å; S461-L483 PolarHBondContact N-O 2.77Å; S461-L483 PolarHBondContact OG-O 2.99Å
462Q81.9Confident84Confident99 Ų9961.4 Ų61.446%0.46332%0.321SS..  trans-143.7143173.3-54.2-1779.700111F460 L464 Y465F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.08Å; Q462-L464 PolarHBondContact O-N 2.7Å; Q462-Y465 HydrophobicContact CB-CD1 4.15Å; Q462-Y465 HydrophobicContact CB-CD2 4.4Å; Q462-Y465 HydrophobicContact CB-CE1 3.78Å; Q462-Y465 HydrophobicContact CB-CE2 4.04Å; Q462-Y465 HydrophobicContact CB-CG 4.38Å; Q462-Y465 HydrophobicContact CG-CD1 4.28Å; Q462-Y465 HydrophobicContact CG-CE1 3.79Å; Q462-Y465 PolarHBondContact N-OH 3.4Å; Q462-Y465 WeakPolarHBondContact O-CE2 3.31Å
463P75.3Confident84.1Confident126 Ų12661.8 Ų61.882%0.81832%0.323SS*.SBendtrans-77.5-18.6178.931-36000114.1
464L83.2Confident84.2Confident64.5 Ų64.564.4 Ų64.434%0.33834%0.342SS..  trans-153.3115.4174.6174.565.4000109.7Q462 R546 R548Q462-L464 PolarHBondContact O-N 2.7Å; L464-R546 WeakPolarHBondContact CA-O 3.12Å; L464-R546 HydrophobicContact CD1-CB 3.87Å; L464-R548 HydrophobicContact CD1-CB 4.18Å
465Y85.9Confident84.2Confident13 Ų1366.2 Ų66.25%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-88.2114.2171.9-57.9-97.2000108.9F460 S461 Q462 L480 V482 L483 R546 V547 R548F460-Y465 HydrophobicContact CD1-CE2 4.05Å; S461-Y465 PolarHBondContact OG-OH 3.26Å; Q462-Y465 HydrophobicContact CB-CD1 4.15Å; Q462-Y465 HydrophobicContact CB-CD2 4.4Å; Q462-Y465 HydrophobicContact CB-CE1 3.78Å; Q462-Y465 HydrophobicContact CB-CE2 4.04Å; Q462-Y465 HydrophobicContact CB-CG 4.38Å; Q462-Y465 HydrophobicContact CG-CD1 4.28Å; Q462-Y465 HydrophobicContact CG-CE1 3.79Å; Q462-Y465 PolarHBondContact N-OH 3.4Å; Q462-Y465 WeakPolarHBondContact O-CE2 3.31Å; Y465-L480 HydrophobicContact CD1-CD1 3.83Å; Y465-L480 HydrophobicContact CD2-CD1 4.31Å; Y465-L480 HydrophobicContact CG-CD1 3.7Å; Y465-V482 HydrophobicContact CD1-CG1 4.37Å; Y465-V482 HydrophobicContact CD2-CG1 3.78Å; Y465-V482 HydrophobicContact CE1-CG1 4.48Å; Y465-V482 HydrophobicContact CE2-CB 4.2Å; Y465-V482 HydrophobicContact CE2-CG1 3.8Å; Y465-V482 HydrophobicContact CG-CG1 4.16Å; Y465-L483 PolarHBondContact OH-N 2.88Å; Y465-L483 VanDerWaalsContact OH-N 3.09Å; Y465-L483 PolarHBondContact OH-O 2.86Å; Y465-R546 PolarHBondContact N-O 3.13Å; Y465-V547 HydrophobicContact CD2-CG2 4.26Å; Y465-V547 CarbonylContact O-C 3.48Å; Y465-V547 WeakPolarHBondContact O-CA 3.36Å; Y465-R548 PolarHBondContact O-N 3.04Å
466N86.2Confident84Confident88.5 Ų88.565.4 Ų65.447%0.47336%0.361SS..EExtended strand (participates in β ladder)trans-112.6127.8176.4-130.617.2000110.5R548 N550N466-R548 WeakPolarHBondContact CA-O 3.44Å; N466-R548 WeakPolarHBondContact OD1-CB 3.33Å; N466-R548 VanDerWaalsContact OD1-CD 3.29Å; N466-R548 WeakPolarHBondContact OD1-CD 3.35Å; N466-R548 WeakPolarHBondContact OD1-CG 3.27Å; N466-R548 PolarHBondContact OD1-NH1 2.82Å; N466-N550 PolarHBondContact OD1-ND2 3.1Å
467V88.6Confident84.3Confident34 Ų3464.8 Ų64.821%0.20636%0.359CS..EExtended strand (participates in β ladder)trans-134.3153.1174.872.10000110.5L469 V479 L480 R548 I549 N550V467-L469 HydrophobicContact CB-CD2 4.23Å; V467-L469 HydrophobicContact CG1-CD1 4.42Å; V467-L469 HydrophobicContact CG1-CD2 3.82Å; V467-L469 HydrophobicContact CG1-CG 4.1Å; V467-L469 HydrophobicContact CG2-CD2 3.8Å; V467-L469 VanDerWaalsContact CG2-CD2 3.45Å; V467-L469 HydrophobicContact CG2-CG 4.46Å; V467-V479 HydrophobicContact CG1-CG1 3.81Å; V467-L480 HydrophobicContact CB-CD2 4.23Å; V467-L480 HydrophobicContact CG1-CD2 4.04Å; V467-R548 PolarHBondContact N-O 2.85Å; V467-R548 VanDerWaalsContact O-O 3.13Å; V467-I549 HydrophobicContact CG1-CB 4.32Å; V467-I549 HydrophobicContact CG1-CG1 3.84Å; V467-I549 HydrophobicContact CG1-CG2 4.13Å; V467-I549 WeakPolarHBondContact O-CA 3.2Å; V467-N550 PolarHBondContact O-N 2.82Å; V467-N550 VanDerWaalsContact O-N 3.12Å; V467-N550 PolarHBondContact O-ND2 2.89Å
468S87.4Confident84.5Confident63.5 Ų63.562.8 Ų62.844%0.44436%0.363SS..EExtended strand (participates in β ladder)trans-121.4133.5169-610000108.5N550S468-N550 CarbonylContact C-O 3.6Å; S468-N550 VanDerWaalsContact CA-O 3.22Å; S468-N550 WeakPolarHBondContact CA-O 3.22Å; S468-N550 PolarHBondContact OG-ND2 2.89Å; S468-N550 VanDerWaalsContact OG-ND2 3.11Å
469L87.7Confident84.5Confident12.5 Ų12.563.4 Ų63.47%0.06537%0.366CS..EExtended strand (participates in β ladder)trans-123.6138.7-178-49.8176.2000108.1V467 I473 V479 L521 I549 N550 V551 L552V467-L469 HydrophobicContact CB-CD2 4.23Å; V467-L469 HydrophobicContact CG1-CD1 4.42Å; V467-L469 HydrophobicContact CG1-CD2 3.82Å; V467-L469 HydrophobicContact CG1-CG 4.1Å; V467-L469 HydrophobicContact CG2-CD2 3.8Å; V467-L469 VanDerWaalsContact CG2-CD2 3.45Å; V467-L469 HydrophobicContact CG2-CG 4.46Å; L469-I473 HydrophobicContact CB-CB 4.37Å; L469-I473 HydrophobicContact CB-CD1 4.1Å; L469-I473 HydrophobicContact CB-CG2 3.98Å; L469-I473 HydrophobicContact CD1-CD1 4.26Å; L469-I473 HydrophobicContact CD1-CG2 4.21Å; L469-I473 HydrophobicContact CD2-CD1 3.7Å; L469-I473 HydrophobicContact CG-CD1 4.22Å; L469-V479 HydrophobicContact CD1-CG1 3.99Å; L469-V479 HydrophobicContact CD1-CG2 4.07Å; L469-L521 HydrophobicContact CB-CD1 3.92Å; L469-L521 HydrophobicContact CD1-CD1 3.81Å; L469-L521 HydrophobicContact CG-CD1 4.41Å; L469-I549 HydrophobicContact CD1-CG2 3.6Å; L469-I549 VanDerWaalsContact CD1-CG2 3.49Å; L469-I549 HydrophobicContact CG-CG2 4.01Å; L469-N550 PolarHBondContact N-O 2.9Å; L469-V551 CarbonylContact O-C 3.59Å; L469-V551 VanDerWaalsContact O-CA 3.31Å; L469-V551 WeakPolarHBondContact O-CA 3.14Å; L469-L552 PolarHBondContact O-N 2.98Å
470Y86.3Confident84.8Confident136.5 Ų136.559.8 Ų59.854%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-69.2149.5163.9-66.9-75.2000109.5N472 I473 L552 V554Y470-N472 VanDerWaalsContact C-N 3.29Å; Y470-N472 VanDerWaalsContact CB-OD1 3.3Å; Y470-N472 WeakPolarHBondContact CB-OD1 3.31Å; Y470-N472 PolarHBondContact O-N 3.02Å; Y470-I473 VanDerWaalsContact O-CB 3.27Å; Y470-I473 WeakPolarHBondContact O-CB 3.48Å; Y470-I473 WeakPolarHBondContact O-CG2 3.21Å; Y470-I473 PolarHBondContact O-N 2.85Å; Y470-I473 VanDerWaalsContact O-N 3.13Å; Y470-L552 WeakPolarHBondContact CA-O 3.28Å; Y470-L552 HydrophobicContact CD1-CB 3.62Å; Y470-L552 HydrophobicContact CD1-CD1 4.26Å; Y470-L552 HydrophobicContact CE1-CB 3.87Å; Y470-L552 HydrophobicContact CE1-CD1 3.93Å; Y470-L552 HydrophobicContact CE2-CD1 4.28Å; Y470-L552 HydrophobicContact CG-CB 4.26Å; Y470-V554 HydrophobicContact CD1-CG2 3.55Å; Y470-V554 HydrophobicContact CE1-CG2 4.15Å; Y470-V554 HydrophobicContact CG-CG2 4.03Å
471E87.1Confident84.8Confident18 Ų1862.3 Ų62.38%0.08437%0.365CS..THydrogen-bonded Turntrans-63.5-35.4-178.168.4-159.8108.400113.7I473 L521 Y523 V551 L552 D553 V554 D556E471-I473 PolarHBondContact O-N 2.84Å; E471-L521 HydrophobicContact CB-CB 4.34Å; E471-Y523 VanDerWaalsContact CD-CB 3.45Å; E471-Y523 VanDerWaalsContact OE1-CB 3.28Å; E471-Y523 WeakPolarHBondContact OE1-CB 3.28Å; E471-Y523 WeakPolarHBondContact OE2-CA 3.19Å; E471-Y523 WeakPolarHBondContact OE2-CB 3.36Å; E471-Y523 PolarHBondContact OE2-N 2.95Å; E471-V551 HydrophobicContact CB-CG1 3.72Å; E471-L552 PolarHBondContact N-O 3.11Å; E471-L552 VanDerWaalsContact N-O 3.15Å; E471-D553 VanDerWaalsContact OE1-CA 3.29Å; E471-D553 WeakPolarHBondContact OE1-CA 3.35Å; E471-V554 HydrophobicContact CG-CB 4.34Å; E471-V554 HydrophobicContact CG-CG2 4.24Å; E471-V554 PolarHBondContact OE1-N 3.1Å; E471-D556 WeakPolarHBondContact CG-OD2 3.08Å
472N82.8Confident85Confident99.5 Ų99.558.9 Ų58.953%0.53234%0.341SS..THydrogen-bonded Turntrans-67.15.3176.166.615.4000114.8Y470 T474 V554 D556Y470-N472 VanDerWaalsContact C-N 3.29Å; Y470-N472 VanDerWaalsContact CB-OD1 3.3Å; Y470-N472 WeakPolarHBondContact CB-OD1 3.31Å; Y470-N472 PolarHBondContact O-N 3.02Å; N472-T474 PolarHBondContact O-N 2.91Å; N472-V554 HydrophobicContact CB-CG2 4.35Å; N472-D556 WeakPolarHBondContact CB-OD2 3.07Å
473I86.9Confident85.4Confident37.5 Ų37.558.4 Ų58.419%0.19234%0.341CS..PPolyproline II helixtrans-61.6138.9174.9-161.4170.2000111.4L469 Y470 E471 T477 L517 L521L469-I473 HydrophobicContact CB-CB 4.37Å; L469-I473 HydrophobicContact CB-CD1 4.1Å; L469-I473 HydrophobicContact CB-CG2 3.98Å; L469-I473 HydrophobicContact CD1-CD1 4.26Å; L469-I473 HydrophobicContact CD1-CG2 4.21Å; L469-I473 HydrophobicContact CD2-CD1 3.7Å; L469-I473 HydrophobicContact CG-CD1 4.22Å; Y470-I473 VanDerWaalsContact O-CB 3.27Å; Y470-I473 WeakPolarHBondContact O-CB 3.48Å; Y470-I473 WeakPolarHBondContact O-CG2 3.21Å; Y470-I473 PolarHBondContact O-N 2.85Å; Y470-I473 VanDerWaalsContact O-N 3.13Å; E471-I473 PolarHBondContact O-N 2.84Å; I473-T477 HydrophobicContact CD1-CG2 3.91Å; I473-T477 HydrophobicContact CG1-CG2 4.18Å; I473-L517 HydrophobicContact CG2-CD2 3.68Å; I473-L521 HydrophobicContact CG2-CD1 3.72Å; I473-L521 HydrophobicContact CG2-CG 4.25Å
474T83.3Confident86Confident99.5 Ų99.552.5 Ų52.561%0.6130%0.303SS*.PPolyproline II helixtrans-69.8139.2-175.137.90000112.9N472 T477N472-T474 PolarHBondContact O-N 2.91Å; T474-T477 PolarHBondContact N-OG1 2.77Å; T474-T477 WeakPolarHBondContact O-CB 3.25Å; T474-T477 PolarHBondContact O-N 2.7Å; T474-T477 VanDerWaalsContact O-N 3.09Å; T474-T477 PolarHBondContact O-OG1 3Å; T474-T477 PolarHBondContact OG1-OG1 3.09Å
475V80.1Confident86.1Confident71 Ų7152.9 Ų52.943%0.4331%0.308SS..THydrogen-bonded Turntrans-63.3142.8166.4174.50000109.5T477 L517 I518 R520V475-T477 PolarHBondContact O-N 2.77Å; V475-L517 WeakPolarHBondContact CG1-O 3.33Å; V475-L517 HydrophobicContact CG2-CD2 4.25Å; V475-L517 HydrophobicContact CG2-CG 4.41Å; V475-I518 VanDerWaalsContact CG1-C 3.5Å; V475-I518 VanDerWaalsContact CG1-O 3.26Å; V475-I518 WeakPolarHBondContact CG1-O 3.41Å; V475-R520 HydrophobicContact CG2-CB 4.2Å; V475-R520 HydrophobicContact CG2-CG 3.69Å; V475-R520 VanDerWaalsContact CG2-N 3.32Å
476G75.7Confident86.2Confident49.5 Ų49.553.2 Ų53.251%0.5131%0.311SS..THydrogen-bonded Turntrans83.11.6-168.700000113.9S478 L517G476-S478 PolarHBondContact O-N 3.32Å; G476-L517 WeakPolarHBondContact CA-O 3.22Å; G476-L517 PolarHBondContact N-O 2.88Å
477T83.7Confident86.1Confident35.5 Ų35.554 Ų5422%0.21832%0.315CS..  trans-69.6130.4172.2-55.40000109.9I473 T474 V475 V479 L517I473-T477 HydrophobicContact CD1-CG2 3.91Å; I473-T477 HydrophobicContact CG1-CG2 4.18Å; T474-T477 PolarHBondContact N-OG1 2.77Å; T474-T477 WeakPolarHBondContact O-CB 3.25Å; T474-T477 PolarHBondContact O-N 2.7Å; T474-T477 VanDerWaalsContact O-N 3.09Å; T474-T477 PolarHBondContact O-OG1 3Å; T474-T477 PolarHBondContact OG1-OG1 3.09Å; V475-T477 PolarHBondContact O-N 2.77Å; T477-V479 PolarHBondContact O-N 2.99Å; T477-L517 PolarHBondContact O-N 3.15Å
478S86.5Confident86Confident71 Ų7152.7 Ų52.750%0.49731%0.307SS..EExtended strand (participates in β ladder)trans-61105.1162.5-51.60000109.5G476 L480 L514G476-S478 PolarHBondContact O-N 3.32Å; S478-L480 PolarHBondContact O-N 3.42Å; S478-L514 WeakPolarHBondContact OG-CD1 3.5Å
479V87.7Confident85.6Confident12.5 Ų12.552.6 Ų52.68%0.07630%0.304CS..EExtended strand (participates in β ladder)trans-71.8-50.8-177.6171.50000109.8V467 L469 T477 F506 I515 L517 I549V467-V479 HydrophobicContact CG1-CG1 3.81Å; L469-V479 HydrophobicContact CD1-CG1 3.99Å; L469-V479 HydrophobicContact CD1-CG2 4.07Å; T477-V479 PolarHBondContact O-N 2.99Å; V479-F506 HydrophobicContact CG2-CD1 4.33Å; V479-F506 HydrophobicContact CG2-CE1 4.22Å; V479-I515 HydrophobicContact CB-CG2 4.3Å; V479-I515 WeakPolarHBondContact CB-O 3.45Å; V479-I515 PolarHBondContact N-O 2.76Å; V479-L517 HydrophobicContact CG2-CB 3.89Å; V479-I549 HydrophobicContact CG1-CD1 3.9Å; V479-I549 HydrophobicContact CG1-CG1 4.2Å
480L90.1Very high85.3Confident29.5 Ų29.554.4 Ų54.415%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-166.4164.8165.157.792.3000109Y465 V467 S478 V482 I515 V547Y465-L480 HydrophobicContact CD1-CD1 3.83Å; Y465-L480 HydrophobicContact CD2-CD1 4.31Å; Y465-L480 HydrophobicContact CG-CD1 3.7Å; V467-L480 HydrophobicContact CB-CD2 4.23Å; V467-L480 HydrophobicContact CG1-CD2 4.04Å; S478-L480 PolarHBondContact O-N 3.42Å; L480-V482 HydrophobicContact CD1-CG1 3.55Å; L480-I515 HydrophobicContact CD1-CD1 4.14Å; L480-I515 HydrophobicContact CD1-CG1 4.46Å; L480-I515 WeakPolarHBondContact O-CB 3.43Å; L480-I515 PolarHBondContact O-N 3.05Å; L480-V547 HydrophobicContact CD1-CG2 4.1Å; L480-V547 HydrophobicContact CD2-CG1 3.94Å; L480-V547 HydrophobicContact CG-CG1 4.47Å
481T88.6Confident85Confident74 Ų7452 Ų5245%0.45433%0.325SS..EExtended strand (participates in β ladder)trans-104.1123.5168.2-47.60000107.9L483 T512 G513 L514T481-L483 PolarHBondContact O-N 2.67Å; T481-T512 WeakPolarHBondContact CG2-O 3.26Å; T481-G513 WeakPolarHBondContact CA-O 3.41Å; T481-L514 VanDerWaalsContact OG1-CD1 3.31Å; T481-L514 WeakPolarHBondContact OG1-CD1 3.36Å
482V89.6Confident84.7Confident1.5 Ų1.553.8 Ų53.81%0.00933%0.332CS..  trans-83.9124.6165.3-65.80000108.1F460 Y465 L480 Y497 L508 G513 I515 V533 V547F460-V482 HydrophobicContact CD1-CB 4.13Å; F460-V482 HydrophobicContact CE1-CB 4.08Å; F460-V482 HydrophobicContact CE1-CG2 4.21Å; Y465-V482 HydrophobicContact CD1-CG1 4.37Å; Y465-V482 HydrophobicContact CD2-CG1 3.78Å; Y465-V482 HydrophobicContact CE1-CG1 4.48Å; Y465-V482 HydrophobicContact CE2-CB 4.2Å; Y465-V482 HydrophobicContact CE2-CG1 3.8Å; Y465-V482 HydrophobicContact CG-CG1 4.16Å; L480-V482 HydrophobicContact CD1-CG1 3.55Å; V482-Y497 HydrophobicContact CG2-CD1 4.06Å; V482-Y497 HydrophobicContact CG2-CE1 4.32Å; V482-Y497 HydrophobicContact CG2-CG 4.5Å; V482-Y497 WeakPolarHBondContact O-CE1 3.34Å; V482-L508 HydrophobicContact CG2-CD1 4.17Å; V482-G513 VanDerWaalsContact CG2-O 3.24Å; V482-G513 WeakPolarHBondContact CG2-O 3.34Å; V482-G513 PolarHBondContact N-O 2.88Å; V482-G513 WeakPolarHBondContact O-CA 3.15Å; V482-I515 HydrophobicContact CG1-CD1 4.17Å; V482-I515 HydrophobicContact CG2-CD1 4.42Å; V482-I515 HydrophobicContact CG2-CG1 4.46Å; V482-V533 HydrophobicContact CG2-CB 4.38Å; V482-V533 HydrophobicContact CG2-CG1 4.08Å; V482-V533 HydrophobicContact CG2-CG2 4.3Å; V482-V547 HydrophobicContact CG1-CG2 3.76Å
483L90Very high84.6Confident88 Ų8850.1 Ų50.146%0.46132%0.318SS..  trans-113119.7175.7-179.764.8000109F460 S461 Y465 T481 T485F460-L483 WeakPolarHBondContact CA-O 3.2Å; S461-L483 PolarHBondContact N-O 2.77Å; S461-L483 PolarHBondContact OG-O 2.99Å; Y465-L483 PolarHBondContact OH-N 2.88Å; Y465-L483 VanDerWaalsContact OH-N 3.09Å; Y465-L483 PolarHBondContact OH-O 2.86Å; T481-L483 PolarHBondContact O-N 2.67Å; L483-T485 HydrophobicContact CD1-CG2 4.35Å; L483-T485 HydrophobicContact CD2-CG2 4.24Å; L483-T485 HydrophobicContact CG-CG2 4.27Å
484A88.2Confident84.6Confident3.5 Ų3.553.6 Ų53.63%0.02933%0.334CS..EExtended strand (participates in β ladder)trans-108.4139.1158.400000108.8P458 I459 F460 V495 Y497 A535P458-A484 HydrophobicContact CB-CB 4.3Å; I459-A484 CarbonylContact O-C 3.6Å; I459-A484 VanDerWaalsContact O-CA 3.23Å; I459-A484 WeakPolarHBondContact O-CA 3.33Å; F460-A484 HydrophobicContact CD1-CB 3.78Å; F460-A484 HydrophobicContact CE1-CB 4.01Å; F460-A484 HydrophobicContact CG-CB 4.1Å; F460-A484 HydrophobicContact CZ-CB 4.46Å; A484-V495 HydrophobicContact CB-CG1 4.11Å; A484-Y497 HydrophobicContact CB-CE1 3.94Å; A484-Y497 PolarHBondContact N-OH 3Å; A484-Y497 PolarHBondContact O-OH 3Å; A484-Y497 VanDerWaalsContact O-OH 3.06Å; A484-A535 HydrophobicContact CB-CB 3.6Å
485T86.4Confident84.8Confident72.5 Ų72.549.7 Ų49.745%0.44531%0.31SS..EExtended strand (participates in β ladder)trans-113.7125.3174.949.60000108.1I459 L483I459-T485 PolarHBondContact N-O 3.03Å; I459-T485 PolarHBondContact O-N 3Å; I459-T485 VanDerWaalsContact O-N 3.11Å; L483-T485 HydrophobicContact CD1-CG2 4.35Å; L483-T485 HydrophobicContact CD2-CG2 4.24Å; L483-T485 HydrophobicContact CG-CG2 4.27Å
486D87.8Confident85.2Confident19.5 Ų19.548.1 Ų48.110%0.10430%0.299CS..  trans-91.3157153.1-142.2-49.8000109.1N456 R457 P458 D488 V495N456-D486 WeakPolarHBondContact CB-OD1 3.07Å; R457-D486 VanDerWaalsContact C-CG 3.46Å; R457-D486 WeakPolarHBondContact CA-OD2 3.36Å; R457-D486 PolarHBondContact N-OD1 2.8Å; R457-D486 PolarHBondContact N-OD2 3.4Å; P458-D486 WeakPolarHBondContact CA-OD2 3.14Å; P458-D486 WeakPolarHBondContact CD-OD2 3.26Å; P458-D486 WeakPolarHBondContact CG-OD2 3.35Å; D486-D488 PolarHBondContact OD1-N 3.09Å; D486-V495 HydrophobicContact CB-CG2 3.77Å
487N84.3Confident86Confident105.5 Ų105.546.3 Ų46.356%0.56428%0.277SS*.  trans-95.6-29.2173.8-63.1-40.7000111.9E422 N456E422-N487 VanDerWaalsContact CG-O 3.23Å; E422-N487 WeakPolarHBondContact CG-O 3.21Å; N456-N487 HydrophobicContact CB-CB 4.2Å; N456-N487 PolarHBondContact OD1-ND2 3.02Å
488D85.2Confident86.3Confident7 Ų748.5 Ų48.54%0.03728%0.283CS..SBendtrans-53.6152-173.3-69.7-11.1000112.4E422 N454 D455 N456 D486 F492 G493E422-D488 WeakPolarHBondContact OE1-CA 3.16Å; N454-D488 VanDerWaalsContact C-OD2 3.28Å; N454-D488 WeakPolarHBondContact CA-OD2 3.27Å; D455-D488 PolarHBondContact N-OD2 2.81Å; N456-D488 WeakPolarHBondContact CB-OD1 3.37Å; N456-D488 PolarHBondContact N-OD1 3.08Å; N456-D488 VanDerWaalsContact N-OD1 3.09Å; N456-D488 PolarHBondContact N-OD2 2.89Å; N456-D488 PolarHBondContact ND2-OD1 3.15Å; D486-D488 PolarHBondContact OD1-N 3.09Å; D488-F492 HydrophobicContact CB-CB 3.71Å; D488-G493 WeakPolarHBondContact O-CA 3.39Å; D488-G493 PolarHBondContact O-N 2.85Å; D488-G493 VanDerWaalsContact O-N 3.16Å
489V79.3Confident86.4Confident60.5 Ų60.546.8 Ų46.837%0.36727%0.267SS..SBendtrans-88153.9178179.30000112.4Y421 E422 N452 F492 G493Y421-V489 HydrophobicContact CD1-CB 3.77Å; Y421-V489 HydrophobicContact CD1-CG1 4.19Å; Y421-V489 HydrophobicContact CD1-CG2 3.92Å; Y421-V489 HydrophobicContact CE1-CB 3.67Å; Y421-V489 HydrophobicContact CE1-CG1 3.78Å; Y421-V489 HydrophobicContact CE1-CG2 4.16Å; E422-V489 HydrophobicContact CB-CG2 4.29Å; E422-V489 HydrophobicContact CG-CG2 4.03Å; E422-V489 WeakPolarHBondContact OE1-CG2 3.19Å; E422-V489 PolarHBondContact OE1-N 3.11Å; N452-V489 PolarHBondContact ND2-O 2.84Å; N452-V489 VanDerWaalsContact OD1-C 3.22Å; N452-V489 WeakPolarHBondContact OD1-CB 3.34Å; N452-V489 PolarHBondContact OD1-O 2.85Å; N452-V489 VanDerWaalsContact OD1-O 3.05Å; V489-F492 PolarHBondContact O-N 2.83Å; V489-G493 PolarHBondContact O-N 2.95Å
490G82.2Confident86.2Confident50.5 Ų50.549.3 Ų49.352%0.52129%0.285SS..THydrogen-bonded Turntrans72.9-137.3173.500000112.5F492 G493 E494G490-F492 VanDerWaalsContact C-N 3.29Å; G490-F492 PolarHBondContact O-N 2.85Å; G490-G493 WeakPolarHBondContact O-CA 3.3Å; G490-G493 PolarHBondContact O-N 3.16Å; G490-E494 PolarHBondContact O-N 3.15Å
491T79.4Confident85.6Confident85 Ų8553.8 Ų53.852%0.52131%0.309SS..THydrogen-bonded Turntrans-69.8-26.1-178.846.20000113.1G493 E494 G538T491-G493 VanDerWaalsContact C-N 3.35Å; T491-E494 WeakPolarHBondContact O-CB 3.43Å; T491-E494 PolarHBondContact O-N 3.2Å; T491-E494 VanDerWaalsContact O-N 3.15Å; T491-G538 WeakPolarHBondContact O-CA 3.32Å; T491-G538 PolarHBondContact O-N 3.09Å; T491-G538 VanDerWaalsContact O-N 3.09Å
492F81.6Confident84.8Confident56 Ų5657.9 Ų57.925%0.24633%0.328CS..THydrogen-bonded Turntrans-70.8-29.1173.7-59.6-21.8000110.7N452 E453 N454 D488 V489 G490 E494 D537N452-F492 VanDerWaalsContact ND2-CD2 3.32Å; N452-F492 WeakPolarHBondContact ND2-CD2 3.24Å; E453-F492 VanDerWaalsContact C-CD2 3.49Å; E453-F492 WeakPolarHBondContact O-CD2 3.32Å; N454-F492 HydrophobicContact CB-CB 4.26Å; N454-F492 HydrophobicContact CB-CD1 4.22Å; N454-F492 HydrophobicContact CB-CD2 3.77Å; N454-F492 HydrophobicContact CB-CE2 4.13Å; N454-F492 HydrophobicContact CB-CG 3.84Å; N454-F492 HydrophobicContact CB-CZ 4.47Å; N454-F492 VanDerWaalsContact OD1-CB 3.28Å; N454-F492 WeakPolarHBondContact OD1-CB 3.36Å; N454-F492 WeakPolarHBondContact OD1-CD1 3.29Å; N454-F492 WeakPolarHBondContact OD1-CG 3.11Å; D488-F492 HydrophobicContact CB-CB 3.71Å; V489-F492 PolarHBondContact O-N 2.83Å; G490-F492 VanDerWaalsContact C-N 3.29Å; G490-F492 PolarHBondContact O-N 2.85Å; F492-E494 VanDerWaalsContact C-N 3.3Å; F492-E494 PolarHBondContact O-N 2.88Å; F492-D537 VanDerWaalsContact O-CB 3.24Å; F492-D537 WeakPolarHBondContact O-CB 3.43Å
493G80.8Confident84.2Confident23 Ų2359.1 Ų59.124%0.23734%0.336CS..THydrogen-bonded Turntrans-73.9-14.5166.900000116.7D488 V489 G490 T491 V495D488-G493 WeakPolarHBondContact O-CA 3.39Å; D488-G493 PolarHBondContact O-N 2.85Å; D488-G493 VanDerWaalsContact O-N 3.16Å; V489-G493 PolarHBondContact O-N 2.95Å; G490-G493 WeakPolarHBondContact O-CA 3.3Å; G490-G493 PolarHBondContact O-N 3.16Å; T491-G493 VanDerWaalsContact C-N 3.35Å; G493-V495 VanDerWaalsContact C-N 3.35Å; G493-V495 PolarHBondContact O-N 2.93Å
494E85.1Confident83.7Confident110.5 Ų110.562.1 Ų62.152%0.51635%0.353SS..  trans-84.785.4-169.2-117.7-170.1149.600112G490 T491 F492 N496G490-E494 PolarHBondContact O-N 3.15Å; T491-E494 WeakPolarHBondContact O-CB 3.43Å; T491-E494 PolarHBondContact O-N 3.2Å; T491-E494 VanDerWaalsContact O-N 3.15Å; F492-E494 VanDerWaalsContact C-N 3.3Å; F492-E494 PolarHBondContact O-N 2.88Å; E494-N496 PolarHBondContact O-N 3.09Å; E494-N496 PolarHBondContact O-ND2 2.88Å; E494-N496 PolarHBondContact OE1-ND2 3.13Å
495V87.5Confident83.5Confident17.5 Ų17.564.7 Ų64.711%0.10636%0.362CS..  trans-71.3113.1178.2-173.90000111.8P458 A484 D486 G493 Y497 A535 R536P458-V495 HydrophobicContact CB-CG1 4.01Å; P458-V495 HydrophobicContact CB-CG2 3.96Å; P458-V495 HydrophobicContact CG-CG1 4.42Å; P458-V495 HydrophobicContact CG-CG2 4.11Å; A484-V495 HydrophobicContact CB-CG1 4.11Å; D486-V495 HydrophobicContact CB-CG2 3.77Å; G493-V495 VanDerWaalsContact C-N 3.35Å; G493-V495 PolarHBondContact O-N 2.93Å; V495-Y497 HydrophobicContact CB-CE2 4.22Å; V495-Y497 HydrophobicContact CG1-CD1 4.5Å; V495-Y497 HydrophobicContact CG1-CD2 4.28Å; V495-Y497 HydrophobicContact CG1-CE1 4.16Å; V495-Y497 HydrophobicContact CG1-CE2 3.81Å; V495-Y497 WeakPolarHBondContact O-CD2 3.22Å; V495-Y497 WeakPolarHBondContact O-CE2 3.34Å; V495-A535 HydrophobicContact CG1-CB 3.73Å; V495-R536 CarbonylContact C-O 3.42Å; V495-R536 WeakPolarHBondContact CA-O 3.14Å
496N90.2Very high83.8Confident38.5 Ų38.561.4 Ų61.421%0.20634%0.342CS..EExtended strand (participates in β ladder)trans-97.6141.8169.1-83.7-161.7000111.5E494 F498 K510 D511 A535 R536E494-N496 PolarHBondContact O-N 3.09Å; E494-N496 PolarHBondContact O-ND2 2.88Å; E494-N496 PolarHBondContact OE1-ND2 3.13Å; N496-F498 HydrophobicContact CB-CE2 3.68Å; N496-F498 HydrophobicContact CB-CZ 3.77Å; N496-F498 WeakPolarHBondContact O-CE2 3.26Å; N496-K510 CarbonylContact C-O 3.58Å; N496-K510 VanDerWaalsContact CA-O 3.27Å; N496-K510 WeakPolarHBondContact CA-O 3.29Å; N496-K510 PolarHBondContact ND2-O 3.23Å; N496-K510 PolarHBondContact OD1-NZ 3.03Å; N496-D511 PolarHBondContact ND2-OD1 3.24Å; N496-A535 WeakPolarHBondContact O-CA 3.49Å; N496-R536 PolarHBondContact N-O 3.08Å; N496-R536 PolarHBondContact O-N 2.73Å
497Y92Very high83.8Confident11 Ų1162.1 Ų62.14%0.04335%0.348CS..EExtended strand (participates in β ladder)trans-109.6133.6-175.6-58-91.6000112.1F460 V482 A484 V495 L508 K510 G513 V533 I534 A535F460-Y497 HydrophobicContact CE1-CD1 4.2Å; F460-Y497 AromaticContact CE1-CE1 3.96Å; F460-Y497 HydrophobicContact CE1-CE1 4.04Å; F460-Y497 HydrophobicContact CZ-CD1 4.47Å; V482-Y497 HydrophobicContact CG2-CD1 4.06Å; V482-Y497 HydrophobicContact CG2-CE1 4.32Å; V482-Y497 HydrophobicContact CG2-CG 4.5Å; V482-Y497 WeakPolarHBondContact O-CE1 3.34Å; A484-Y497 HydrophobicContact CB-CE1 3.94Å; A484-Y497 PolarHBondContact N-OH 3Å; A484-Y497 PolarHBondContact O-OH 3Å; A484-Y497 VanDerWaalsContact O-OH 3.06Å; V495-Y497 HydrophobicContact CB-CE2 4.22Å; V495-Y497 HydrophobicContact CG1-CD1 4.5Å; V495-Y497 HydrophobicContact CG1-CD2 4.28Å; V495-Y497 HydrophobicContact CG1-CE1 4.16Å; V495-Y497 HydrophobicContact CG1-CE2 3.81Å; V495-Y497 WeakPolarHBondContact O-CD2 3.22Å; V495-Y497 WeakPolarHBondContact O-CE2 3.34Å; Y497-L508 VanDerWaalsContact C-CD2 3.49Å; Y497-K510 WeakPolarHBondContact CD2-O 3.5Å; Y497-K510 PolarHBondContact N-O 3.18Å; Y497-K510 WeakPolarHBondContact O-CA 3.15Å; Y497-G513 VanDerWaalsContact CD2-CA 3.44Å; Y497-G513 VanDerWaalsContact CG-CA 3.44Å; Y497-V533 HydrophobicContact CD1-CG1 4.47Å; Y497-I534 CarbonylContact C-O 3.59Å; Y497-I534 WeakPolarHBondContact CA-O 3.35Å; Y497-A535 HydrophobicContact CD1-CB 4.33Å; Y497-A535 HydrophobicContact CE1-CB 4.34Å
498F89.8Confident84.2Confident81.5 Ų81.558.4 Ų58.436%0.35733%0.328SS..EExtended strand (participates in β ladder)trans-134.3147.4179.3-53.1-83.4000110.9N496 V533 I534 R536N496-F498 HydrophobicContact CB-CE2 3.68Å; N496-F498 HydrophobicContact CB-CZ 3.77Å; N496-F498 WeakPolarHBondContact O-CE2 3.26Å; F498-V533 CarbonylContact O-C 3.5Å; F498-V533 WeakPolarHBondContact O-CA 3.37Å; F498-V533 WeakPolarHBondContact O-CG1 3.31Å; F498-I534 HydrophobicContact CB-CB 4.47Å; F498-I534 PolarHBondContact N-O 2.75Å; F498-I534 PolarHBondContact O-N 2.78Å; F498-R536 HydrophobicContact CE2-CB 4.36Å
499F89.6Confident84.3Confident35.5 Ų35.560.9 Ų60.916%0.15634%0.341CS..EExtended strand (participates in β ladder)trans-79.9148162.6-71.2-55.3000109.7D501 P503 F506 L508 I515 L531 T532 V533F499-D501 VanDerWaalsContact C-N 3.33Å; F499-D501 VanDerWaalsContact CB-O 3.31Å; F499-D501 WeakPolarHBondContact CB-O 3.28Å; F499-D501 PolarHBondContact O-N 2.72Å; F499-P503 HydrophobicContact CD1-CG 4.37Å; F499-P503 VanDerWaalsContact CD2-CD 3.48Å; F499-P503 HydrophobicContact CD2-CG 3.51Å; F499-P503 HydrophobicContact CE1-CG 4.36Å; F499-P503 HydrophobicContact CE2-CG 3.42Å; F499-P503 HydrophobicContact CG-CG 4.1Å; F499-P503 HydrophobicContact CZ-CG 3.96Å; F499-F506 HydrophobicContact CE2-CB 4.37Å; F499-F506 WeakPolarHBondContact CE2-O 3.23Å; F499-F506 HydrophobicContact CZ-CB 4.25Å; F499-L508 HydrophobicContact CD1-CB 4.37Å; F499-L508 HydrophobicContact CD1-CD2 4.09Å; F499-L508 HydrophobicContact CD2-CB 3.8Å; F499-L508 HydrophobicContact CD2-CD2 4.43Å; F499-L508 HydrophobicContact CE1-CB 4.13Å; F499-L508 HydrophobicContact CE1-CD2 4.28Å; F499-L508 HydrophobicContact CE2-CB 3.44Å; F499-L508 VanDerWaalsContact CE2-CB 3.44Å; F499-L508 HydrophobicContact CG-CB 4.31Å; F499-L508 HydrophobicContact CG-CD2 4.16Å; F499-L508 HydrophobicContact CZ-CB 3.62Å; F499-L508 HydrophobicContact CZ-CD2 4.44Å; F499-I515 HydrophobicContact CE1-CD1 4.25Å; F499-I515 HydrophobicContact CE1-CG1 4.48Å; F499-I515 HydrophobicContact CZ-CD1 4.31Å; F499-I515 HydrophobicContact CZ-CG1 4.4Å; F499-I515 HydrophobicContact CZ-CG2 4.43Å; F499-L531 HydrophobicContact CD1-CB 4.35Å; F499-L531 HydrophobicContact CE1-CB 3.94Å; F499-L531 HydrophobicContact CE1-CD1 3.85Å; F499-L531 HydrophobicContact CE1-CG 4.33Å; F499-L531 HydrophobicContact CZ-CD1 3.94Å; F499-T532 WeakPolarHBondContact CA-O 3.27Å; F499-V533 HydrophobicContact CD1-CG2 3.9Å; F499-V533 HydrophobicContact CE1-CG2 3.89Å
500S83.6Confident84.8Confident65.5 Ų65.562.4 Ų62.446%0.45834%0.343SS..SBendtrans-68-29.2170.4-173.40000112.5T532S500-T532 PolarHBondContact N-O 3Å
501D75.8Confident85Confident123.5 Ų123.564.4 Ų64.466%0.6634%0.342SS*.SBendtrans-141.7140.4-179.2-56-73.7000108.5F499 P503F499-D501 VanDerWaalsContact C-N 3.33Å; F499-D501 VanDerWaalsContact CB-O 3.31Å; F499-D501 WeakPolarHBondContact CB-O 3.28Å; F499-D501 PolarHBondContact O-N 2.72Å; D501-P503 VanDerWaalsContact O-CD 3.29Å; D501-P503 WeakPolarHBondContact O-CD 3.25Å
502D72.5Confident85.3Confident159.5 Ų159.564 Ų6485%0.85334%0.339SS*.  trans-73.3118.2-178.6-125.2-15.8000111.9
503P77.6Confident85.7Confident27 Ų2761.3 Ų61.318%0.17533%0.327CS..  trans-108.9112-172.134.5-23.1000113.6F499 D501 R505 F506 L531F499-P503 HydrophobicContact CD1-CG 4.37Å; F499-P503 VanDerWaalsContact CD2-CD 3.48Å; F499-P503 HydrophobicContact CD2-CG 3.51Å; F499-P503 HydrophobicContact CE1-CG 4.36Å; F499-P503 HydrophobicContact CE2-CG 3.42Å; F499-P503 HydrophobicContact CG-CG 4.1Å; F499-P503 HydrophobicContact CZ-CG 3.96Å; D501-P503 VanDerWaalsContact O-CD 3.29Å; D501-P503 WeakPolarHBondContact O-CD 3.25Å; P503-R505 PolarHBondContact O-N 3.03Å; P503-F506 HydrophobicContact CG-CB 4.32Å; P503-F506 PolarHBondContact O-N 3.32Å; P503-F506 VanDerWaalsContact O-O 3.12Å; P503-L531 HydrophobicContact CB-CD2 3.83Å; P503-L531 HydrophobicContact CG-CD2 4.15Å
504D78.4Confident86.1Confident151.5 Ų151.561.9 Ų61.981%0.8133%0.325SS*.THydrogen-bonded Turntrans-41.4-23.6-175.4-63.5-19.9000118.7
505R85.5Confident86.4Confident58.5 Ų58.556.6 Ų56.622%0.22130%0.3CS..THydrogen-bonded Turntrans-108.9-10.4-175.9-62.2-107.5-154.2-88.2-6.8115P503 I518 A519 R520 F529P503-R505 PolarHBondContact O-N 3.03Å; R505-I518 VanDerWaalsContact C-CG1 3.4Å; R505-I518 VanDerWaalsContact O-CG1 3.3Å; R505-I518 WeakPolarHBondContact O-CG1 3.17Å; R505-I518 PolarHBondContact O-N 2.95Å; R505-A519 HydrophobicContact CB-CB 4.17Å; R505-A519 HydrophobicContact CG-CB 4.03Å; R505-A519 PolarHBondContact O-N 3.03Å; R505-R520 VanDerWaalsContact CZ-O 3.25Å; R505-R520 PolarHBondContact NE-O 3Å; R505-R520 PolarHBondContact NH1-O 2.92Å; R505-R520 PolarHBondContact NH2-O 2.78Å; R505-F529 HydrophobicContact CB-CE1 4.5Å; R505-F529 HydrophobicContact CG-CE1 4.15Å; R505-F529 HydrophobicContact CG-CZ 4.33Å
506F90.8Very high86.5Confident3 Ų358.7 Ų58.71%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-131.9139.5-173.9-55.7-79.2000111.2V479 F499 P503 I515 M516 L517 L521 F529 L531 I549V479-F506 HydrophobicContact CG2-CD1 4.33Å; V479-F506 HydrophobicContact CG2-CE1 4.22Å; F499-F506 HydrophobicContact CE2-CB 4.37Å; F499-F506 WeakPolarHBondContact CE2-O 3.23Å; F499-F506 HydrophobicContact CZ-CB 4.25Å; P503-F506 HydrophobicContact CG-CB 4.32Å; P503-F506 PolarHBondContact O-N 3.32Å; P503-F506 VanDerWaalsContact O-O 3.12Å; F506-I515 HydrophobicContact CB-CG2 4.16Å; F506-I515 HydrophobicContact CD1-CG2 4.19Å; F506-I515 HydrophobicContact CG-CG2 4.48Å; F506-M516 CarbonylContact C-O 3.53Å; F506-M516 WeakPolarHBondContact CA-O 3.45Å; F506-L517 HydrophobicContact CD1-CD1 4.02Å; F506-L517 HydrophobicContact CE1-CD1 3.44Å; F506-L517 VanDerWaalsContact CE1-CD1 3.44Å; F506-L517 HydrophobicContact CZ-CD1 4.01Å; F506-L521 HydrophobicContact CZ-CD2 4.25Å; F506-F529 HydrophobicContact CE2-CB 3.9Å; F506-F529 AromaticContact CE2-CD1 3.78Å; F506-F529 HydrophobicContact CE2-CD1 3.78Å; F506-F529 HydrophobicContact CE2-CD2 4.1Å; F506-F529 HydrophobicContact CE2-CE1 4.33Å; F506-F529 AromaticContact CE2-CG 3.65Å; F506-F529 HydrophobicContact CE2-CG 3.65Å; F506-F529 HydrophobicContact CZ-CB 4.15Å; F506-F529 HydrophobicContact CZ-CD1 4.44Å; F506-F529 AromaticContact CZ-CD2 3.98Å; F506-F529 HydrophobicContact CZ-CD2 4.09Å; F506-F529 AromaticContact CZ-CG 3.94Å; F506-F529 HydrophobicContact CZ-CG 4.09Å; F506-L531 HydrophobicContact CB-CD1 4.09Å; F506-L531 HydrophobicContact CD1-CD1 4.27Å; F506-L531 HydrophobicContact CD2-CD1 3.92Å; F506-L531 HydrophobicContact CD2-CD2 4.02Å; F506-L531 HydrophobicContact CD2-CG 4.42Å; F506-L531 HydrophobicContact CE2-CD2 4.41Å; F506-L531 HydrophobicContact CG-CD1 3.93Å; F506-L531 HydrophobicContact CG-CD2 4.44Å; F506-I549 HydrophobicContact CD1-CD1 3.9Å; F506-I549 HydrophobicContact CD2-CD1 4.32Å; F506-I549 HydrophobicContact CE1-CD1 3.37Å; F506-I549 VanDerWaalsContact CE1-CD1 3.44Å; F506-I549 HydrophobicContact CE2-CD1 3.99Å; F506-I549 HydrophobicContact CG-CD1 4.41Å; F506-I549 HydrophobicContact CZ-CD1 3.43Å; F506-I549 VanDerWaalsContact CZ-CD1 3.43Å; F506-I549 HydrophobicContact CZ-CG2 4.36Å
507S89.9Confident86.5Confident34 Ų3456.9 Ų56.924%0.23830%0.3CS..EExtended strand (participates in β ladder)trans-110.2143.1165.9590000108.9I515 M516 I518S507-I515 CarbonylContact O-C 3.5Å; S507-I515 VanDerWaalsContact O-CA 3.27Å; S507-I515 WeakPolarHBondContact O-CA 3.35Å; S507-M516 PolarHBondContact N-O 3.25Å; S507-M516 PolarHBondContact O-N 2.63Å; S507-M516 PolarHBondContact OG-O 3.45Å; S507-I518 VanDerWaalsContact CB-CG2 3.49Å; S507-I518 WeakPolarHBondContact OG-CG2 3.29Å
508L91Very high86.3Confident27 Ų2760.6 Ų60.614%0.14132%0.319CS..EExtended strand (participates in β ladder)trans-107.3121.3168.2174.564.9000107.6V482 Y497 F499 K510 L514 I515 V533V482-L508 HydrophobicContact CG2-CD1 4.17Å; Y497-L508 VanDerWaalsContact C-CD2 3.49Å; F499-L508 HydrophobicContact CD1-CB 4.37Å; F499-L508 HydrophobicContact CD1-CD2 4.09Å; F499-L508 HydrophobicContact CD2-CB 3.8Å; F499-L508 HydrophobicContact CD2-CD2 4.43Å; F499-L508 HydrophobicContact CE1-CB 4.13Å; F499-L508 HydrophobicContact CE1-CD2 4.28Å; F499-L508 HydrophobicContact CE2-CB 3.44Å; F499-L508 VanDerWaalsContact CE2-CB 3.44Å; F499-L508 HydrophobicContact CG-CB 4.31Å; F499-L508 HydrophobicContact CG-CD2 4.16Å; F499-L508 HydrophobicContact CZ-CB 3.62Å; F499-L508 HydrophobicContact CZ-CD2 4.44Å; L508-K510 PolarHBondContact O-N 2.79Å; L508-L514 WeakPolarHBondContact CA-O 3.34Å; L508-I515 HydrophobicContact CD1-CG1 3.85Å; L508-V533 HydrophobicContact CD1-CG1 4.17Å; L508-V533 HydrophobicContact CD2-CG1 3.73Å; L508-V533 HydrophobicContact CD2-CG2 4.42Å; L508-V533 HydrophobicContact CG-CG1 4.49Å
509D88.9Confident86Confident59.5 Ų59.558.2 Ų58.232%0.31832%0.315SS..  trans-74.3119.9170.1-177.9-85.2000109.3D511 T512 G513 L514D509-D511 VanDerWaalsContact C-N 3.26Å; D509-D511 PolarHBondContact O-N 2.89Å; D509-D511 PolarHBondContact OD1-N 2.98Å; D509-D511 VanDerWaalsContact OD1-N 3.16Å; D509-T512 WeakPolarHBondContact CB-OG1 3.28Å; D509-T512 WeakPolarHBondContact OD1-CB 3.25Å; D509-T512 WeakPolarHBondContact OD1-CG2 3.32Å; D509-T512 PolarHBondContact OD1-N 2.81Å; D509-T512 PolarHBondContact OD1-OG1 2.87Å; D509-G513 WeakPolarHBondContact O-CA 3.25Å; D509-G513 PolarHBondContact O-N 3.27Å; D509-L514 HydrophobicContact CB-CB 4.18Å; D509-L514 PolarHBondContact N-O 3.05Å
510K88.7Confident85.8Confident93 Ų9365.8 Ų65.840%0.40434%0.342SS..THydrogen-bonded Turntrans-66.7-21.2-169.973.2169.5-164.771.70114.1N496 Y497 L508N496-K510 CarbonylContact C-O 3.58Å; N496-K510 VanDerWaalsContact CA-O 3.27Å; N496-K510 WeakPolarHBondContact CA-O 3.29Å; N496-K510 PolarHBondContact ND2-O 3.23Å; N496-K510 PolarHBondContact OD1-NZ 3.03Å; Y497-K510 WeakPolarHBondContact CD2-O 3.5Å; Y497-K510 PolarHBondContact N-O 3.18Å; Y497-K510 WeakPolarHBondContact O-CA 3.15Å; L508-K510 PolarHBondContact O-N 2.79Å
511D85.9Confident85.9Confident92 Ų9263.2 Ų63.249%0.49232%0.323SS..THydrogen-bonded Turntrans-103.9-26.8-171.7-64.2-51.9000111.9N496 D509N496-D511 PolarHBondContact ND2-OD1 3.24Å; D509-D511 VanDerWaalsContact C-N 3.26Å; D509-D511 PolarHBondContact O-N 2.89Å; D509-D511 PolarHBondContact OD1-N 2.98Å; D509-D511 VanDerWaalsContact OD1-N 3.16Å
512T86.9Confident86.3Confident76 Ų7660.2 Ų60.247%0.46631%0.307SS..THydrogen-bonded Turntrans-112.2-9.3-176.562.90000114.4T481 D509 L514T481-T512 WeakPolarHBondContact CG2-O 3.26Å; D509-T512 WeakPolarHBondContact CB-OG1 3.28Å; D509-T512 WeakPolarHBondContact OD1-CB 3.25Å; D509-T512 WeakPolarHBondContact OD1-CG2 3.32Å; D509-T512 PolarHBondContact OD1-N 2.81Å; D509-T512 PolarHBondContact OD1-OG1 2.87Å; T512-L514 PolarHBondContact O-N 3.05Å; T512-L514 VanDerWaalsContact O-N 3.14Å; T512-L514 WeakPolarHBondContact OG1-CB 3.43Å
513G88.5Confident87Confident0 Ų054.9 Ų54.90%028%0.275CS..  trans66.813-175.500000113.6T481 V482 Y497 D509 I515T481-G513 WeakPolarHBondContact CA-O 3.41Å; V482-G513 VanDerWaalsContact CG2-O 3.24Å; V482-G513 WeakPolarHBondContact CG2-O 3.34Å; V482-G513 PolarHBondContact N-O 2.88Å; V482-G513 WeakPolarHBondContact O-CA 3.15Å; Y497-G513 VanDerWaalsContact CD2-CA 3.44Å; Y497-G513 VanDerWaalsContact CG-CA 3.44Å; D509-G513 WeakPolarHBondContact O-CA 3.25Å; D509-G513 PolarHBondContact O-N 3.27Å; G513-I515 PolarHBondContact O-N 3.14Å
514L91Very high87.3Confident35.5 Ų35.557.9 Ų57.919%0.18629%0.287CS..EExtended strand (participates in β ladder)trans-76118-178-178.762.7000110.5S478 T481 L508 D509 T512 M516S478-L514 WeakPolarHBondContact OG-CD1 3.5Å; T481-L514 VanDerWaalsContact OG1-CD1 3.31Å; T481-L514 WeakPolarHBondContact OG1-CD1 3.36Å; L508-L514 WeakPolarHBondContact CA-O 3.34Å; D509-L514 HydrophobicContact CB-CB 4.18Å; D509-L514 PolarHBondContact N-O 3.05Å; T512-L514 PolarHBondContact O-N 3.05Å; T512-L514 VanDerWaalsContact O-N 3.14Å; T512-L514 WeakPolarHBondContact OG1-CB 3.43Å; L514-M516 HydrophobicContact CD1-CG 4.45Å; L514-M516 HydrophobicContact CD2-CG 3.86Å; L514-M516 HydrophobicContact CD2-SD 4Å; L514-M516 HydrophobicContact CG-CG 3.84Å; L514-M516 HydrophobicContact CG-SD 4.45Å; L514-M516 PolarHBondContact O-N 2.7Å
515I90.7Very high87.4Confident0 Ų056 Ų560%028%0.276CS..EExtended strand (participates in β ladder)trans-88.8115.8169.8-59.9177.5000108.3V479 L480 V482 F499 F506 S507 L508 G513 L531 V533 V547V479-I515 HydrophobicContact CB-CG2 4.3Å; V479-I515 WeakPolarHBondContact CB-O 3.45Å; V479-I515 PolarHBondContact N-O 2.76Å; L480-I515 HydrophobicContact CD1-CD1 4.14Å; L480-I515 HydrophobicContact CD1-CG1 4.46Å; L480-I515 WeakPolarHBondContact O-CB 3.43Å; L480-I515 PolarHBondContact O-N 3.05Å; V482-I515 HydrophobicContact CG1-CD1 4.17Å; V482-I515 HydrophobicContact CG2-CD1 4.42Å; V482-I515 HydrophobicContact CG2-CG1 4.46Å; F499-I515 HydrophobicContact CE1-CD1 4.25Å; F499-I515 HydrophobicContact CE1-CG1 4.48Å; F499-I515 HydrophobicContact CZ-CD1 4.31Å; F499-I515 HydrophobicContact CZ-CG1 4.4Å; F499-I515 HydrophobicContact CZ-CG2 4.43Å; F506-I515 HydrophobicContact CB-CG2 4.16Å; F506-I515 HydrophobicContact CD1-CG2 4.19Å; F506-I515 HydrophobicContact CG-CG2 4.48Å; S507-I515 CarbonylContact O-C 3.5Å; S507-I515 VanDerWaalsContact O-CA 3.27Å; S507-I515 WeakPolarHBondContact O-CA 3.35Å; L508-I515 HydrophobicContact CD1-CG1 3.85Å; G513-I515 PolarHBondContact O-N 3.14Å; I515-L531 HydrophobicContact CD1-CD1 4.48Å; I515-L531 HydrophobicContact CG2-CD1 4.11Å; I515-V533 HydrophobicContact CD1-CG2 4.05Å; I515-V547 HydrophobicContact CD1-CB 4.16Å; I515-V547 HydrophobicContact CD1-CG1 4.19Å; I515-V547 HydrophobicContact CD1-CG2 3.77Å
516M88.5Confident87.2Confident61.5 Ų61.556.2 Ų56.230%0.30328%0.281SS..EExtended strand (participates in β ladder)trans-108140.1174.3-62.9-167-70.200111.1F506 S507 L514 I518F506-M516 CarbonylContact C-O 3.53Å; F506-M516 WeakPolarHBondContact CA-O 3.45Å; S507-M516 PolarHBondContact N-O 3.25Å; S507-M516 PolarHBondContact O-N 2.63Å; S507-M516 PolarHBondContact OG-O 3.45Å; L514-M516 HydrophobicContact CD1-CG 4.45Å; L514-M516 HydrophobicContact CD2-CG 3.86Å; L514-M516 HydrophobicContact CD2-SD 4Å; L514-M516 HydrophobicContact CG-CG 3.84Å; L514-M516 HydrophobicContact CG-SD 4.45Å; L514-M516 PolarHBondContact O-N 2.7Å; M516-I518 HydrophobicContact CB-CG2 4.46Å; M516-I518 PolarHBondContact O-N 3.09Å
517L90.4Very high86.9Confident0 Ų061.4 Ų61.40%031%0.305CS..EExtended strand (participates in β ladder)trans-72.6118.2167.7-175.773.7000109.5I473 V475 G476 T477 V479 F506 A519 L521I473-L517 HydrophobicContact CG2-CD2 3.68Å; V475-L517 WeakPolarHBondContact CG1-O 3.33Å; V475-L517 HydrophobicContact CG2-CD2 4.25Å; V475-L517 HydrophobicContact CG2-CG 4.41Å; G476-L517 WeakPolarHBondContact CA-O 3.22Å; G476-L517 PolarHBondContact N-O 2.88Å; T477-L517 PolarHBondContact O-N 3.15Å; V479-L517 HydrophobicContact CG2-CB 3.89Å; F506-L517 HydrophobicContact CD1-CD1 4.02Å; F506-L517 HydrophobicContact CE1-CD1 3.44Å; F506-L517 VanDerWaalsContact CE1-CD1 3.44Å; F506-L517 HydrophobicContact CZ-CD1 4.01Å; L517-A519 VanDerWaalsContact CD1-O 3.27Å; L517-A519 WeakPolarHBondContact CD1-O 3.29Å; L517-A519 WeakPolarHBondContact CG-O 3.43Å; L517-L521 HydrophobicContact CD1-CD1 4.38Å; L517-L521 HydrophobicContact CD1-CD2 3.7Å; L517-L521 HydrophobicContact CD1-CG 3.87Å; L517-L521 HydrophobicContact CD2-CD1 4.36Å; L517-L521 HydrophobicContact CD2-CG 4.11Å; L517-L521 HydrophobicContact CG-CG 4.46Å
518I88.1Confident86.7Confident88.5 Ų88.567.3 Ų67.345%0.45432%0.323SS..  trans-105.1-13.3-178.955.9169.2000114.3V475 R505 S507 M516V475-I518 VanDerWaalsContact CG1-C 3.5Å; V475-I518 VanDerWaalsContact CG1-O 3.26Å; V475-I518 WeakPolarHBondContact CG1-O 3.41Å; R505-I518 VanDerWaalsContact C-CG1 3.4Å; R505-I518 VanDerWaalsContact O-CG1 3.3Å; R505-I518 WeakPolarHBondContact O-CG1 3.17Å; R505-I518 PolarHBondContact O-N 2.95Å; S507-I518 VanDerWaalsContact CB-CG2 3.49Å; S507-I518 WeakPolarHBondContact OG-CG2 3.29Å; M516-I518 HydrophobicContact CB-CG2 4.46Å; M516-I518 PolarHBondContact O-N 3.09Å
519A84.5Confident86.5Confident31 Ų3167.6 Ų67.626%0.25632%0.323SS..SBendtrans-138.5153.7171.700000110.3R505 L517R505-A519 HydrophobicContact CB-CB 4.17Å; R505-A519 HydrophobicContact CG-CB 4.03Å; R505-A519 PolarHBondContact O-N 3.03Å; L517-A519 VanDerWaalsContact CD1-O 3.27Å; L517-A519 WeakPolarHBondContact CD1-O 3.29Å; L517-A519 WeakPolarHBondContact CG-O 3.43Å
520R84.6Confident86.3Confident195.5 Ų195.568.7 Ų68.774%0.73833%0.332SS*.  trans-59.9148.3-174.3-70.7-176178.8-169.2-1.7112.6V475 R505V475-R520 HydrophobicContact CG2-CB 4.2Å; V475-R520 HydrophobicContact CG2-CG 3.69Å; V475-R520 VanDerWaalsContact CG2-N 3.32Å; R505-R520 VanDerWaalsContact CZ-O 3.25Å; R505-R520 PolarHBondContact NE-O 3Å; R505-R520 PolarHBondContact NH1-O 2.92Å; R505-R520 PolarHBondContact NH2-O 2.78Å
521L86.8Confident86.3Confident11 Ų1164.9 Ų64.96%0.05832%0.316CS..  trans-85.6159.8163.5-57.3-179.4000109.1L469 E471 I473 F506 L517 F529 I549 V551L469-L521 HydrophobicContact CB-CD1 3.92Å; L469-L521 HydrophobicContact CD1-CD1 3.81Å; L469-L521 HydrophobicContact CG-CD1 4.41Å; E471-L521 HydrophobicContact CB-CB 4.34Å; I473-L521 HydrophobicContact CG2-CD1 3.72Å; I473-L521 HydrophobicContact CG2-CG 4.25Å; F506-L521 HydrophobicContact CZ-CD2 4.25Å; L517-L521 HydrophobicContact CD1-CD1 4.38Å; L517-L521 HydrophobicContact CD1-CD2 3.7Å; L517-L521 HydrophobicContact CD1-CG 3.87Å; L517-L521 HydrophobicContact CD2-CD1 4.36Å; L517-L521 HydrophobicContact CD2-CG 4.11Å; L517-L521 HydrophobicContact CG-CG 4.46Å; L521-F529 HydrophobicContact CD2-CD2 4.18Å; L521-F529 HydrophobicContact CD2-CE2 3.73Å; L521-F529 HydrophobicContact CD2-CZ 4.28Å; L521-I549 HydrophobicContact CD1-CG2 4.47Å; L521-V551 HydrophobicContact CB-CG1 4.26Å; L521-V551 HydrophobicContact CB-CG2 4.37Å; L521-V551 HydrophobicContact CD1-CG2 4.24Å; L521-V551 HydrophobicContact CD2-CG2 4.29Å
522D84.1Confident86.4Confident60 Ų6062.6 Ų62.632%0.32131%0.305SS..  trans-164.9109.1-166.4173.5-30.3000104.1E524 L525 I526D522-E524 VanDerWaalsContact C-N 3.34Å; D522-E524 PolarHBondContact OD1-N 3.05Å; D522-L525 HydrophobicContact CB-CB 4.07Å; D522-L525 VanDerWaalsContact CG-CB 3.42Å; D522-L525 PolarHBondContact O-N 2.88Å; D522-L525 WeakPolarHBondContact OD1-CB 3.41Å; D522-L525 PolarHBondContact OD1-N 2.86Å; D522-I526 PolarHBondContact O-N 3.03Å; D522-I526 VanDerWaalsContact O-N 3.12Å
523Y86.4Confident86.6Confident47.5 Ų47.559 Ų5919%0.18628%0.283CS..THydrogen-bonded Turntrans-76.2-37-171.8177.4-99.8000111.5E471 L525 Q527 V551 D553E471-Y523 VanDerWaalsContact CD-CB 3.45Å; E471-Y523 VanDerWaalsContact OE1-CB 3.28Å; E471-Y523 WeakPolarHBondContact OE1-CB 3.28Å; E471-Y523 WeakPolarHBondContact OE2-CA 3.19Å; E471-Y523 WeakPolarHBondContact OE2-CB 3.36Å; E471-Y523 PolarHBondContact OE2-N 2.95Å; Y523-L525 PolarHBondContact O-N 2.78Å; Y523-Q527 HydrophobicContact CD2-CB 4.42Å; Y523-Q527 HydrophobicContact CD2-CG 3.87Å; Y523-Q527 HydrophobicContact CE2-CB 4.28Å; Y523-Q527 HydrophobicContact CE2-CG 3.75Å; Y523-Q527 HydrophobicContact CG-CG 4.42Å; Y523-Q527 WeakPolarHBondContact O-CG 3.43Å; Y523-V551 HydrophobicContact CD2-CB 4.13Å; Y523-V551 HydrophobicContact CD2-CG1 4.27Å; Y523-V551 WeakPolarHBondContact CE2-O 3.16Å; Y523-D553 HydrophobicContact CD1-CB 3.75Å; Y523-D553 HydrophobicContact CD2-CB 4.1Å; Y523-D553 VanDerWaalsContact CD2-N 3.33Å; Y523-D553 HydrophobicContact CE1-CB 3.65Å; Y523-D553 HydrophobicContact CE2-CB 4.24Å; Y523-D553 HydrophobicContact CG-CB 4.1Å
524E83.7Confident86.6Confident91.5 Ų91.560.4 Ų60.443%0.42829%0.29SS..THydrogen-bonded Turntrans-58.9-33173.6-74.455.1-112.100111.1D522D522-E524 VanDerWaalsContact C-N 3.34Å; D522-E524 PolarHBondContact OD1-N 3.05Å
525L81.6Confident86.6Confident111.5 Ų111.558.7 Ų58.758%0.58428%0.281SS*.THydrogen-bonded Turntrans-91.3-52.4-178.6-163.671.1000114.2D522 Y523D522-L525 HydrophobicContact CB-CB 4.07Å; D522-L525 VanDerWaalsContact CG-CB 3.42Å; D522-L525 PolarHBondContact O-N 2.88Å; D522-L525 WeakPolarHBondContact OD1-CB 3.41Å; D522-L525 PolarHBondContact OD1-N 2.86Å; Y523-L525 PolarHBondContact O-N 2.78Å
526I80.5Confident86.5Confident62.5 Ų62.563.7 Ų63.732%0.32130%0.3SS..  trans-145.6103.7-175.3-51.2179.3000112.9D522 R528 F529 V551D522-I526 PolarHBondContact O-N 3.03Å; D522-I526 VanDerWaalsContact O-N 3.12Å; I526-R528 VanDerWaalsContact C-N 3.29Å; I526-R528 PolarHBondContact O-N 2.74Å; I526-F529 HydrophobicContact CB-CE1 4.31Å; I526-F529 HydrophobicContact CB-CE2 4.23Å; I526-F529 HydrophobicContact CB-CZ 3.8Å; I526-F529 HydrophobicContact CD1-CE1 4.17Å; I526-F529 HydrophobicContact CD1-CZ 4.1Å; I526-F529 HydrophobicContact CG1-CZ 4.32Å; I526-F529 HydrophobicContact CG2-CD1 4.46Å; I526-F529 HydrophobicContact CG2-CD2 4.42Å; I526-F529 HydrophobicContact CG2-CE1 3.87Å; I526-F529 HydrophobicContact CG2-CE2 3.84Å; I526-F529 HydrophobicContact CG2-CZ 3.51Å; I526-V551 VanDerWaalsContact O-CG2 3.28Å; I526-V551 WeakPolarHBondContact O-CG2 3.41Å
527Q83.9Confident86.5Confident111 Ų11161.1 Ų61.152%0.51929%0.288SS..SBendtrans-77-13.7-174.9-60.4176.5-800115.8Y523 V551Y523-Q527 HydrophobicContact CD2-CB 4.42Å; Y523-Q527 HydrophobicContact CD2-CG 3.87Å; Y523-Q527 HydrophobicContact CE2-CB 4.28Å; Y523-Q527 HydrophobicContact CE2-CG 3.75Å; Y523-Q527 HydrophobicContact CG-CG 4.42Å; Y523-Q527 WeakPolarHBondContact O-CG 3.43Å; Q527-V551 WeakPolarHBondContact O-CB 3.47Å; Q527-V551 PolarHBondContact O-N 2.84Å
528R85.9Confident86Confident159.5 Ų159.563.4 Ų63.460%0.60231%0.311SS*.EExtended strand (participates in β ladder)trans-160.9138.4-177.3-168.9-175.768.5-170-1.5114.3I526 R548 I549 N550I526-R528 VanDerWaalsContact C-N 3.29Å; I526-R528 PolarHBondContact O-N 2.74Å; R528-R548 HydrophobicContact CG-CG 4.19Å; R528-I549 CarbonylContact C-O 3.57Å; R528-I549 WeakPolarHBondContact CA-O 3.45Å; R528-I549 VanDerWaalsContact CG-O 3.3Å; R528-I549 WeakPolarHBondContact CG-O 3.24Å; R528-N550 WeakPolarHBondContact CD-OD1 3.45Å
529F86.4Confident85.5Confident33.5 Ų33.561.5 Ų61.515%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-117.6157.3172-56.7-95.9000112R505 F506 L521 I526 I549 V551R505-F529 HydrophobicContact CB-CE1 4.5Å; R505-F529 HydrophobicContact CG-CE1 4.15Å; R505-F529 HydrophobicContact CG-CZ 4.33Å; F506-F529 HydrophobicContact CE2-CB 3.9Å; F506-F529 AromaticContact CE2-CD1 3.78Å; F506-F529 HydrophobicContact CE2-CD1 3.78Å; F506-F529 HydrophobicContact CE2-CD2 4.1Å; F506-F529 HydrophobicContact CE2-CE1 4.33Å; F506-F529 AromaticContact CE2-CG 3.65Å; F506-F529 HydrophobicContact CE2-CG 3.65Å; F506-F529 HydrophobicContact CZ-CB 4.15Å; F506-F529 HydrophobicContact CZ-CD1 4.44Å; F506-F529 AromaticContact CZ-CD2 3.98Å; F506-F529 HydrophobicContact CZ-CD2 4.09Å; F506-F529 AromaticContact CZ-CG 3.94Å; F506-F529 HydrophobicContact CZ-CG 4.09Å; L521-F529 HydrophobicContact CD2-CD2 4.18Å; L521-F529 HydrophobicContact CD2-CE2 3.73Å; L521-F529 HydrophobicContact CD2-CZ 4.28Å; I526-F529 HydrophobicContact CB-CE1 4.31Å; I526-F529 HydrophobicContact CB-CE2 4.23Å; I526-F529 HydrophobicContact CB-CZ 3.8Å; I526-F529 HydrophobicContact CD1-CE1 4.17Å; I526-F529 HydrophobicContact CD1-CZ 4.1Å; I526-F529 HydrophobicContact CG1-CZ 4.32Å; I526-F529 HydrophobicContact CG2-CD1 4.46Å; I526-F529 HydrophobicContact CG2-CD2 4.42Å; I526-F529 HydrophobicContact CG2-CE1 3.87Å; I526-F529 HydrophobicContact CG2-CE2 3.84Å; I526-F529 HydrophobicContact CG2-CZ 3.51Å; F529-I549 HydrophobicContact CB-CB 4.29Å; F529-I549 PolarHBondContact N-O 2.89Å; F529-I549 PolarHBondContact O-N 2.98Å; F529-I549 VanDerWaalsContact O-N 3.1Å; F529-V551 HydrophobicContact CD2-CG2 4.33Å; F529-V551 HydrophobicContact CE2-CG2 4.03Å
530T85.7Confident85.2Confident82 Ų8262 Ų6250%0.50332%0.322SS..EExtended strand (participates in β ladder)trans-145.7128.1173.1-63.20000108.5V547T530-V547 CarbonylContact C-O 3.58Å; T530-V547 VanDerWaalsContact CA-O 3.29Å; T530-V547 WeakPolarHBondContact CA-O 3.38Å
531L88.3Confident84.9Confident12.5 Ų12.556.2 Ų56.27%0.06530%0.303CS..EExtended strand (participates in β ladder)trans-124.1144.7-173-43.7172.1000109.5F499 P503 F506 I515 V547 I549F499-L531 HydrophobicContact CD1-CB 4.35Å; F499-L531 HydrophobicContact CE1-CB 3.94Å; F499-L531 HydrophobicContact CE1-CD1 3.85Å; F499-L531 HydrophobicContact CE1-CG 4.33Å; F499-L531 HydrophobicContact CZ-CD1 3.94Å; P503-L531 HydrophobicContact CB-CD2 3.83Å; P503-L531 HydrophobicContact CG-CD2 4.15Å; F506-L531 HydrophobicContact CB-CD1 4.09Å; F506-L531 HydrophobicContact CD1-CD1 4.27Å; F506-L531 HydrophobicContact CD2-CD1 3.92Å; F506-L531 HydrophobicContact CD2-CD2 4.02Å; F506-L531 HydrophobicContact CD2-CG 4.42Å; F506-L531 HydrophobicContact CE2-CD2 4.41Å; F506-L531 HydrophobicContact CG-CD1 3.93Å; F506-L531 HydrophobicContact CG-CD2 4.44Å; I515-L531 HydrophobicContact CD1-CD1 4.48Å; I515-L531 HydrophobicContact CG2-CD1 4.11Å; L531-V547 HydrophobicContact CB-CB 4.26Å; L531-V547 HydrophobicContact CD1-CG1 4.47Å; L531-V547 PolarHBondContact N-O 2.87Å; L531-V547 PolarHBondContact O-N 3.03Å; L531-I549 HydrophobicContact CD1-CD1 4.02Å
532T88.3Confident84.9Confident44.5 Ų44.559.6 Ų59.627%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-111.5126.8174.1-55.50000108.7F499 S500F499-T532 WeakPolarHBondContact CA-O 3.27Å; S500-T532 PolarHBondContact N-O 3Å
533V90Very high85Confident0.5 Ų0.558.6 Ų58.60%0.00332%0.315CS..EExtended strand (participates in β ladder)trans-115.2140.2-178.4-173.40000109.6F460 V482 Y497 F498 F499 L508 I515 T544 G545 V547F460-V533 HydrophobicContact CE1-CG1 4.39Å; F460-V533 HydrophobicContact CZ-CB 4.27Å; F460-V533 HydrophobicContact CZ-CG1 4Å; V482-V533 HydrophobicContact CG2-CB 4.38Å; V482-V533 HydrophobicContact CG2-CG1 4.08Å; V482-V533 HydrophobicContact CG2-CG2 4.3Å; Y497-V533 HydrophobicContact CD1-CG1 4.47Å; F498-V533 CarbonylContact O-C 3.5Å; F498-V533 WeakPolarHBondContact O-CA 3.37Å; F498-V533 WeakPolarHBondContact O-CG1 3.31Å; F499-V533 HydrophobicContact CD1-CG2 3.9Å; F499-V533 HydrophobicContact CE1-CG2 3.89Å; L508-V533 HydrophobicContact CD1-CG1 4.17Å; L508-V533 HydrophobicContact CD2-CG1 3.73Å; L508-V533 HydrophobicContact CD2-CG2 4.42Å; L508-V533 HydrophobicContact CG-CG1 4.49Å; I515-V533 HydrophobicContact CD1-CG2 4.05Å; V533-T544 CarbonylContact O-C 3.39Å; V533-T544 WeakPolarHBondContact O-CA 3.47Å; V533-G545 PolarHBondContact N-O 3.19Å; V533-G545 PolarHBondContact O-N 2.78Å; V533-V547 HydrophobicContact CG2-CG2 4.17Å
534I89.8Confident85Confident29 Ų2961.2 Ų61.215%0.14934%0.336CS..EExtended strand (participates in β ladder)trans-109132.9172.7-54.3173000107.1Y497 F498 E542 T543 T544Y497-I534 CarbonylContact C-O 3.59Å; Y497-I534 WeakPolarHBondContact CA-O 3.35Å; F498-I534 HydrophobicContact CB-CB 4.47Å; F498-I534 PolarHBondContact N-O 2.75Å; F498-I534 PolarHBondContact O-N 2.78Å; I534-E542 HydrophobicContact CG2-CB 4.23Å; I534-E542 HydrophobicContact CG2-CG 4.06Å; I534-T543 WeakPolarHBondContact CA-O 3.44Å; I534-T544 HydrophobicContact CG1-CG2 4.44Å
535A90.1Very high85Confident0 Ų057.1 Ų57.10%032%0.317CS..EExtended strand (participates in β ladder)trans-107.1127164.900000107.6P458 F460 A484 V495 N496 Y497 E542 T543P458-A535 HydrophobicContact CB-CB 3.91Å; F460-A535 HydrophobicContact CE1-CB 4.11Å; F460-A535 HydrophobicContact CE2-CB 3.76Å; F460-A535 HydrophobicContact CZ-CB 3.5Å; F460-A535 VanDerWaalsContact CZ-CB 3.48Å; A484-A535 HydrophobicContact CB-CB 3.6Å; V495-A535 HydrophobicContact CG1-CB 3.73Å; N496-A535 WeakPolarHBondContact O-CA 3.49Å; Y497-A535 HydrophobicContact CD1-CB 4.33Å; Y497-A535 HydrophobicContact CE1-CB 4.34Å; A535-E542 WeakPolarHBondContact O-CA 3.23Å; A535-T543 PolarHBondContact N-O 2.95Å; A535-T543 PolarHBondContact O-N 2.91Å
536R89.2Confident85.3Confident104 Ų10459.1 Ų59.139%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-129.3136.8177.8-168.8-164.4-72.8164.6-4109.8V495 N496 F498 E541 E542V495-R536 CarbonylContact C-O 3.42Å; V495-R536 WeakPolarHBondContact CA-O 3.14Å; N496-R536 PolarHBondContact N-O 3.08Å; N496-R536 PolarHBondContact O-N 2.73Å; F498-R536 HydrophobicContact CE2-CB 4.36Å; R536-E541 VanDerWaalsContact CA-O 3.3Å; R536-E541 WeakPolarHBondContact CA-O 3.34Å; R536-E541 VanDerWaalsContact CG-O 3.31Å; R536-E541 WeakPolarHBondContact CG-O 3.25Å; R536-E542 HydrophobicContact CB-CG 3.97Å; R536-E542 HydrophobicContact CG-CG 3.71Å; R536-E542 IonicContact CZ-OE1 3.39Å; R536-E542 IonicContact NE-OE1 3.29Å; R536-E542 PolarHBondContact NE-OE1 3.12Å; R536-E542 IonicContact NH2-OE1 2.68Å; R536-E542 PolarHBondContact NH2-OE1 3.12Å
537D88.8Confident85.7Confident8 Ų856.2 Ų56.24%0.04330%0.302CS..  trans-78-174.9170.161.126.7000112.5N454 P458 F492 G539 G540 E541N454-D537 PolarHBondContact ND2-OD2 3.06Å; N454-D537 PolarHBondContact OD1-OD2 2.94Å; P458-D537 HydrophobicContact CG-CB 3.94Å; F492-D537 VanDerWaalsContact O-CB 3.24Å; F492-D537 WeakPolarHBondContact O-CB 3.43Å; D537-G539 WeakPolarHBondContact OD1-CA 3.31Å; D537-G539 PolarHBondContact OD1-N 3.09Å; D537-G540 WeakPolarHBondContact OD1-CA 3.5Å; D537-G540 PolarHBondContact OD1-N 3.05Å; D537-E541 PolarHBondContact N-O 3.35Å; D537-E541 PolarHBondContact OD1-N 3.28Å; D537-E541 WeakPolarHBondContact OD2-CB 3.32Å
538G78.7Confident86Confident48 Ų4855.5 Ų55.550%0.49530%0.295SS..SBendtrans-82.9-8.217200000115.4T491T491-G538 WeakPolarHBondContact O-CA 3.32Å; T491-G538 PolarHBondContact O-N 3.09Å; T491-G538 VanDerWaalsContact O-N 3.09Å
539G78.2Confident86.1Confident48.5 Ų48.547.9 Ų47.950%0.527%0.266SS..SBendtrans-84.3-31.9174.400000113.1N454 D537N454-G539 VanDerWaalsContact OD1-CA 3.31Å; N454-G539 WeakPolarHBondContact OD1-CA 3.45Å; N454-G539 PolarHBondContact OD1-N 3.45Å; D537-G539 WeakPolarHBondContact OD1-CA 3.31Å; D537-G539 PolarHBondContact OD1-N 3.09Å
540G78Confident86.1Confident41.5 Ų41.548.3 Ų48.343%0.42827%0.27SS..SBendtrans124.3-1.7179.200000115.5D537D537-G540 WeakPolarHBondContact OD1-CA 3.5Å; D537-G540 PolarHBondContact OD1-N 3.05Å
541E79.3Confident86.2Confident74.5 Ų74.544.7 Ų44.735%0.34825%0.248SC..  trans-76.2142.3-179.6-71-70.9129.500111.4R457 R536 D537 L1026R457-E541 HydrophobicContact CB-CB 4.25Å; R457-E541 IonicContact CZ-OE2 2.81Å; R457-E541 IonicContact NH1-OE2 2.87Å; R457-E541 PolarHBondContact NH1-OE2 2.62Å; R457-E541 IonicContact NH2-OE2 3.15Å; R457-E541 PolarHBondContact NH2-OE2 3.1Å; R536-E541 VanDerWaalsContact CA-O 3.3Å; R536-E541 WeakPolarHBondContact CA-O 3.34Å; R536-E541 VanDerWaalsContact CG-O 3.31Å; R536-E541 WeakPolarHBondContact CG-O 3.25Å; D537-E541 PolarHBondContact N-O 3.35Å; D537-E541 PolarHBondContact OD1-N 3.28Å; D537-E541 WeakPolarHBondContact OD2-CB 3.32Å; E541-L1026 HydrophobicContact CG-CD1 3.95Å
542E86.6Confident86Confident82 Ų8247.3 Ų47.338%0.38326%0.262SS..EExtended strand (participates in β ladder)trans-124.8144.4-173.6-71.5-172.4-17600112.9I534 A535 R536I534-E542 HydrophobicContact CG2-CB 4.23Å; I534-E542 HydrophobicContact CG2-CG 4.06Å; A535-E542 WeakPolarHBondContact O-CA 3.23Å; R536-E542 HydrophobicContact CB-CG 3.97Å; R536-E542 HydrophobicContact CG-CG 3.71Å; R536-E542 IonicContact CZ-OE1 3.39Å; R536-E542 IonicContact NE-OE1 3.29Å; R536-E542 PolarHBondContact NE-OE1 3.12Å; R536-E542 IonicContact NH2-OE1 2.68Å; R536-E542 PolarHBondContact NH2-OE1 3.12Å
543T85Confident85.8Confident39 Ų3946.8 Ų46.824%0.23926%0.257CS..EExtended strand (participates in β ladder)trans-133.4144.9166.5-64.80000110.2P458 F460 I534 A535P458-T543 WeakPolarHBondContact O-CB 3.41Å; P458-T543 WeakPolarHBondContact O-CG2 3.44Å; P458-T543 PolarHBondContact O-OG1 3.33Å; F460-T543 HydrophobicContact CD2-CG2 4.07Å; F460-T543 WeakPolarHBondContact CE2-O 3.38Å; I534-T543 WeakPolarHBondContact CA-O 3.44Å; A535-T543 PolarHBondContact N-O 2.95Å; A535-T543 PolarHBondContact O-N 2.91Å
544T86.2Confident85.6Confident102 Ų10248.5 Ų48.563%0.62627%0.268SS*.EExtended strand (participates in β ladder)trans-107.7141.2-178.7620000113V533 I534V533-T544 CarbonylContact O-C 3.39Å; V533-T544 WeakPolarHBondContact O-CA 3.47Å; I534-T544 HydrophobicContact CG1-CG2 4.44Å
545G85Confident85.3Confident4.5 Ų4.548.4 Ų48.45%0.04627%0.267CS..EExtended strand (participates in β ladder)trans-132.5163.2178.100000112.2F460 V533F460-G545 VanDerWaalsContact CE2-N 3.3Å; V533-G545 PolarHBondContact N-O 3.19Å; V533-G545 PolarHBondContact O-N 2.78Å
546R87.7Confident84.9Confident154.5 Ų154.552.4 Ų52.458%0.58329%0.289SS*.EExtended strand (participates in β ladder)trans-128.3142.2-176.9-75.5-177168.8172.7-1113.1L464 Y465L464-R546 WeakPolarHBondContact CA-O 3.12Å; L464-R546 HydrophobicContact CD1-CB 3.87Å; Y465-R546 PolarHBondContact N-O 3.13Å
547V88.8Confident84.6Confident0.5 Ų0.550 Ų500%0.00328%0.284CS..EExtended strand (participates in β ladder)trans-126.9135.9178.7179.50000110.1Y465 L480 V482 I515 T530 L531 V533 I549Y465-V547 HydrophobicContact CD2-CG2 4.26Å; Y465-V547 CarbonylContact O-C 3.48Å; Y465-V547 WeakPolarHBondContact O-CA 3.36Å; L480-V547 HydrophobicContact CD1-CG2 4.1Å; L480-V547 HydrophobicContact CD2-CG1 3.94Å; L480-V547 HydrophobicContact CG-CG1 4.47Å; V482-V547 HydrophobicContact CG1-CG2 3.76Å; I515-V547 HydrophobicContact CD1-CB 4.16Å; I515-V547 HydrophobicContact CD1-CG1 4.19Å; I515-V547 HydrophobicContact CD1-CG2 3.77Å; T530-V547 CarbonylContact C-O 3.58Å; T530-V547 VanDerWaalsContact CA-O 3.29Å; T530-V547 WeakPolarHBondContact CA-O 3.38Å; L531-V547 HydrophobicContact CB-CB 4.26Å; L531-V547 HydrophobicContact CD1-CG1 4.47Å; L531-V547 PolarHBondContact N-O 2.87Å; L531-V547 PolarHBondContact O-N 3.03Å; V533-V547 HydrophobicContact CG2-CG2 4.17Å; V547-I549 HydrophobicContact CG1-CD1 4.41Å; V547-I549 HydrophobicContact CG1-CG1 4.16Å
548R89.1Confident84.4Confident96.5 Ų96.552.8 Ų52.836%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-127.3132.5175.6-177.6-175.4-62.4156.63.1110.3L464 Y465 N466 V467 R528L464-R548 HydrophobicContact CD1-CB 4.18Å; Y465-R548 PolarHBondContact O-N 3.04Å; N466-R548 WeakPolarHBondContact CA-O 3.44Å; N466-R548 WeakPolarHBondContact OD1-CB 3.33Å; N466-R548 VanDerWaalsContact OD1-CD 3.29Å; N466-R548 WeakPolarHBondContact OD1-CD 3.35Å; N466-R548 WeakPolarHBondContact OD1-CG 3.27Å; N466-R548 PolarHBondContact OD1-NH1 2.82Å; V467-R548 PolarHBondContact N-O 2.85Å; V467-R548 VanDerWaalsContact O-O 3.13Å; R528-R548 HydrophobicContact CG-CG 4.19Å
549I89.6Confident84.8Confident0 Ų050.5 Ų50.50%028%0.277CS..EExtended strand (participates in β ladder)trans-127.1117-176.8-56.6169.1000107.4V467 L469 V479 F506 L521 R528 F529 L531 V547V467-I549 HydrophobicContact CG1-CB 4.32Å; V467-I549 HydrophobicContact CG1-CG1 3.84Å; V467-I549 HydrophobicContact CG1-CG2 4.13Å; V467-I549 WeakPolarHBondContact O-CA 3.2Å; L469-I549 HydrophobicContact CD1-CG2 3.6Å; L469-I549 VanDerWaalsContact CD1-CG2 3.49Å; L469-I549 HydrophobicContact CG-CG2 4.01Å; V479-I549 HydrophobicContact CG1-CD1 3.9Å; V479-I549 HydrophobicContact CG1-CG1 4.2Å; F506-I549 HydrophobicContact CD1-CD1 3.9Å; F506-I549 HydrophobicContact CD2-CD1 4.32Å; F506-I549 HydrophobicContact CE1-CD1 3.37Å; F506-I549 VanDerWaalsContact CE1-CD1 3.44Å; F506-I549 HydrophobicContact CE2-CD1 3.99Å; F506-I549 HydrophobicContact CG-CD1 4.41Å; F506-I549 HydrophobicContact CZ-CD1 3.43Å; F506-I549 VanDerWaalsContact CZ-CD1 3.43Å; F506-I549 HydrophobicContact CZ-CG2 4.36Å; L521-I549 HydrophobicContact CD1-CG2 4.47Å; R528-I549 CarbonylContact C-O 3.57Å; R528-I549 WeakPolarHBondContact CA-O 3.45Å; R528-I549 VanDerWaalsContact CG-O 3.3Å; R528-I549 WeakPolarHBondContact CG-O 3.24Å; F529-I549 HydrophobicContact CB-CB 4.29Å; F529-I549 PolarHBondContact N-O 2.89Å; F529-I549 PolarHBondContact O-N 2.98Å; F529-I549 VanDerWaalsContact O-N 3.1Å; L531-I549 HydrophobicContact CD1-CD1 4.02Å; V547-I549 HydrophobicContact CG1-CD1 4.41Å; V547-I549 HydrophobicContact CG1-CG1 4.16Å
550N86Confident85.1Confident42 Ų4251.9 Ų51.923%0.22528%0.276CS..EExtended strand (participates in β ladder)trans-102.1137.2174.8-43.2-76.4000108.9N466 V467 S468 L469 R528N466-N550 PolarHBondContact OD1-ND2 3.1Å; V467-N550 PolarHBondContact O-N 2.82Å; V467-N550 VanDerWaalsContact O-N 3.12Å; V467-N550 PolarHBondContact O-ND2 2.89Å; S468-N550 CarbonylContact C-O 3.6Å; S468-N550 VanDerWaalsContact CA-O 3.22Å; S468-N550 WeakPolarHBondContact CA-O 3.22Å; S468-N550 PolarHBondContact OG-ND2 2.89Å; S468-N550 VanDerWaalsContact OG-ND2 3.11Å; L469-N550 PolarHBondContact N-O 2.9Å; R528-N550 WeakPolarHBondContact CD-OD1 3.45Å
551V87.9Confident85.5Confident7 Ų751 Ų514%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-94.3142.1175.6-1690000108.9L469 E471 L521 Y523 I526 Q527 F529L469-V551 CarbonylContact O-C 3.59Å; L469-V551 VanDerWaalsContact O-CA 3.31Å; L469-V551 WeakPolarHBondContact O-CA 3.14Å; E471-V551 HydrophobicContact CB-CG1 3.72Å; L521-V551 HydrophobicContact CB-CG1 4.26Å; L521-V551 HydrophobicContact CB-CG2 4.37Å; L521-V551 HydrophobicContact CD1-CG2 4.24Å; L521-V551 HydrophobicContact CD2-CG2 4.29Å; Y523-V551 HydrophobicContact CD2-CB 4.13Å; Y523-V551 HydrophobicContact CD2-CG1 4.27Å; Y523-V551 WeakPolarHBondContact CE2-O 3.16Å; I526-V551 VanDerWaalsContact O-CG2 3.28Å; I526-V551 WeakPolarHBondContact O-CG2 3.41Å; Q527-V551 WeakPolarHBondContact O-CB 3.47Å; Q527-V551 PolarHBondContact O-N 2.84Å; F529-V551 HydrophobicContact CD2-CG2 4.33Å; F529-V551 HydrophobicContact CE2-CG2 4.03Å
552L84.5Confident85.6Confident67 Ų6752.7 Ų52.735%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-120.9125.7179.1-59.9175.5000110.2L469 Y470 E471 V554L469-L552 PolarHBondContact O-N 2.98Å; Y470-L552 WeakPolarHBondContact CA-O 3.28Å; Y470-L552 HydrophobicContact CD1-CB 3.62Å; Y470-L552 HydrophobicContact CD1-CD1 4.26Å; Y470-L552 HydrophobicContact CE1-CB 3.87Å; Y470-L552 HydrophobicContact CE1-CD1 3.93Å; Y470-L552 HydrophobicContact CE2-CD1 4.28Å; Y470-L552 HydrophobicContact CG-CB 4.26Å; E471-L552 PolarHBondContact N-O 3.11Å; E471-L552 VanDerWaalsContact N-O 3.15Å; L552-V554 PolarHBondContact O-N 2.93Å
553D83.6Confident84.8Confident34.5 Ų34.554.9 Ų54.918%0.18428%0.277CS..  trans-44.7131.1169.2-178.4-15.3000112E471 Y523 N555 S590 N593E471-D553 VanDerWaalsContact OE1-CA 3.29Å; E471-D553 WeakPolarHBondContact OE1-CA 3.35Å; Y523-D553 HydrophobicContact CD1-CB 3.75Å; Y523-D553 HydrophobicContact CD2-CB 4.1Å; Y523-D553 VanDerWaalsContact CD2-N 3.33Å; Y523-D553 HydrophobicContact CE1-CB 3.65Å; Y523-D553 HydrophobicContact CE2-CB 4.24Å; Y523-D553 HydrophobicContact CG-CB 4.1Å; D553-N555 PolarHBondContact OD1-N 2.77Å; D553-S590 VanDerWaalsContact OD2-CA 3.32Å; D553-S590 WeakPolarHBondContact OD2-CA 3.22Å; D553-S590 VanDerWaalsContact OD2-CB 3.24Å; D553-S590 WeakPolarHBondContact OD2-CB 3.38Å; D553-S590 PolarHBondContact OD2-N 3.23Å; D553-S590 PolarHBondContact OD2-OG 2.81Å; D553-N593 VanDerWaalsContact CG-ND2 3.33Å; D553-N593 PolarHBondContact OD1-ND2 2.83Å; D553-N593 PolarHBondContact OD2-ND2 3.38Å
554V84.6Confident84.3Confident36.5 Ų36.560.2 Ų60.222%0.22130%0.304CS..  trans-123.9129.3166.9-1770000109.5Y470 E471 N472 L552 D556Y470-V554 HydrophobicContact CD1-CG2 3.55Å; Y470-V554 HydrophobicContact CE1-CG2 4.15Å; Y470-V554 HydrophobicContact CG-CG2 4.03Å; E471-V554 HydrophobicContact CG-CB 4.34Å; E471-V554 HydrophobicContact CG-CG2 4.24Å; E471-V554 PolarHBondContact OE1-N 3.1Å; N472-V554 HydrophobicContact CB-CG2 4.35Å; L552-V554 PolarHBondContact O-N 2.93Å; V554-D556 HydrophobicContact CB-CB 4.11Å; V554-D556 HydrophobicContact CG1-CB 4.07Å; V554-D556 PolarHBondContact O-N 3.09Å
555N84.8Confident84Confident25 Ų2557.9 Ų57.913%0.13430%0.295CS..  trans-54.394.7168.7-163.581.3000110.9D553 D589 N593 D645 G647 P649 L651D553-N555 PolarHBondContact OD1-N 2.77Å; N555-D589 VanDerWaalsContact CA-OD2 3.23Å; N555-D589 WeakPolarHBondContact CA-OD2 3.43Å; N555-D589 PolarHBondContact ND2-OD2 3.1Å; N555-D589 PolarHBondContact OD1-OD2 2.81Å; N555-N593 WeakPolarHBondContact CA-ND2 3.09Å; N555-N593 HydrophobicContact CB-CB 4.21Å; N555-N593 PolarHBondContact N-ND2 3.35Å; N555-N593 VanDerWaalsContact OD1-CB 3.27Å; N555-N593 WeakPolarHBondContact OD1-CB 3.37Å; N555-D645 PolarHBondContact ND2-OD2 3.37Å; N555-D645 PolarHBondContact OD1-OD2 2.83Å; N555-G647 WeakPolarHBondContact ND2-CA 3.27Å; N555-G647 WeakPolarHBondContact OD1-CA 3.43Å; N555-P649 PolarHBondContact ND2-O 3.1Å; N555-L651 HydrophobicContact CB-CD1 4.4Å; N555-L651 HydrophobicContact CB-CG 4.45Å; N555-L651 PolarHBondContact ND2-N 3.31Å; N555-L651 WeakPolarHBondContact O-CD1 3.33Å
556D81.8Confident83.9Confident84.5 Ų84.558.6 Ų58.645%0.45230%0.296SS..  trans-134.3-11.6-179.388.50.8000115.1E471 N472 V554 V558 D589E471-D556 WeakPolarHBondContact CG-OD2 3.08Å; N472-D556 WeakPolarHBondContact CB-OD2 3.07Å; V554-D556 HydrophobicContact CB-CB 4.11Å; V554-D556 HydrophobicContact CG1-CB 4.07Å; V554-D556 PolarHBondContact O-N 3.09Å; D556-V558 PolarHBondContact O-N 2.96Å; D556-V558 VanDerWaalsContact O-N 3.16Å; D556-D589 PolarHBondContact N-OD2 3.26Å
557N81.9Confident83.5Confident55 Ų5555.9 Ų55.929%0.29430%0.297SS..  trans-85.9129.9167.3-63.3-81.2000111.5D587 E588 D589 L651N557-D587 VanDerWaalsContact O-CG 3.24Å; N557-D587 VanDerWaalsContact O-OD1 3.12Å; N557-E588 HydrophobicContact CB-CB 4.11Å; N557-D589 VanDerWaalsContact CB-OD1 3.27Å; N557-D589 WeakPolarHBondContact CB-OD1 3.21Å; N557-D589 PolarHBondContact N-OD1 2.92Å; N557-D589 VanDerWaalsContact N-OD1 3.16Å; N557-D589 PolarHBondContact N-OD2 3.41Å; N557-D589 VanDerWaalsContact N-OD2 3.08Å; N557-D589 PolarHBondContact ND2-OD1 2.76Å; N557-L651 WeakPolarHBondContact O-CD1 3.18Å
558V84.3Confident83.1Confident66 Ų6656.3 Ų56.340%0.430%0.301SS..  trans-92.9145.5-179.9-61.20000113.2D556 T560 L651D556-V558 PolarHBondContact O-N 2.96Å; D556-V558 VanDerWaalsContact O-N 3.16Å; V558-T560 PolarHBondContact O-N 3.19Å; V558-T560 PolarHBondContact O-OG1 2.83Å; V558-L651 HydrophobicContact CB-CB 4.5Å; V558-L651 HydrophobicContact CB-CD1 4.35Å; V558-L651 HydrophobicContact CG1-CB 4.01Å; V558-L651 HydrophobicContact CG1-CD1 3.75Å; V558-L651 HydrophobicContact CG1-CD2 4.2Å; V558-L651 HydrophobicContact CG1-CG 4.31Å
559P88.3Confident82.5Confident0.5 Ų0.554.2 Ų54.20%0.00330%0.304CS..  trans-56.3108.3172.4-28.634.9000112.6F561 A585 T586 D587 I596 A643 D645 S653P559-F561 PolarHBondContact O-N 3.32Å; P559-A585 HydrophobicContact CB-CB 4.41Å; P559-T586 CarbonylContact C-O 3.5Å; P559-T586 WeakPolarHBondContact CA-O 3.45Å; P559-D587 VanDerWaalsContact CD-OD2 3.27Å; P559-D587 WeakPolarHBondContact CD-OD2 3.41Å; P559-D587 VanDerWaalsContact CG-OD2 3.29Å; P559-D587 WeakPolarHBondContact CG-OD2 3.41Å; P559-I596 HydrophobicContact CB-CD1 4.01Å; P559-I596 HydrophobicContact CB-CG1 4.06Å; P559-I596 HydrophobicContact CB-CG2 4.28Å; P559-I596 HydrophobicContact CG-CG1 4.23Å; P559-A643 HydrophobicContact CB-CB 4.07Å; P559-D645 HydrophobicContact CG-CB 3.61Å; P559-S653 VanDerWaalsContact O-CB 3.29Å; P559-S653 WeakPolarHBondContact O-CB 3.34Å; P559-S653 PolarHBondContact O-OG 3.14Å
560T83.9Confident82.1Confident77.5 Ų77.555.3 Ų55.348%0.47531%0.31SS..EExtended strand (participates in β ladder)trans-100.2120.4-172-660000110.4V558 A585 T586V558-T560 PolarHBondContact O-N 3.19Å; V558-T560 PolarHBondContact O-OG1 2.83Å; T560-A585 CarbonylContact O-C 3.54Å; T560-A585 WeakPolarHBondContact O-CA 3.32Å; T560-A585 WeakPolarHBondContact O-CB 3.37Å; T560-T586 PolarHBondContact N-O 3.06Å; T560-T586 PolarHBondContact O-N 3.38Å
561F86.5Confident81.5Confident22.5 Ų22.558.1 Ų58.110%0.09932%0.318CS..EExtended strand (participates in β ladder)trans-69.8146.8175.7-80.8-76.1000112P559 K563 Y566 L583 R584 A585 Y598 V641 A643 S653 V655P559-F561 PolarHBondContact O-N 3.32Å; F561-K563 VanDerWaalsContact C-N 3.33Å; F561-K563 WeakPolarHBondContact CB-O 3.4Å; F561-K563 PolarHBondContact O-N 2.91Å; F561-Y566 HydrophobicContact CB-CE2 4.29Å; F561-Y566 HydrophobicContact CD1-CE2 4.28Å; F561-Y566 HydrophobicContact CG-CE2 4.43Å; F561-L583 HydrophobicContact CD1-CB 4.28Å; F561-L583 HydrophobicContact CD1-CD1 4.38Å; F561-L583 HydrophobicContact CE1-CB 4.36Å; F561-L583 HydrophobicContact CE1-CD1 3.79Å; F561-L583 HydrophobicContact CE1-CG 4.44Å; F561-L583 HydrophobicContact CZ-CD1 4.43Å; F561-R584 CarbonylContact C-O 3.22Å; F561-R584 VanDerWaalsContact CA-O 3.24Å; F561-R584 WeakPolarHBondContact CA-O 3.23Å; F561-R584 WeakPolarHBondContact CD1-O 3.32Å; F561-A585 HydrophobicContact CD1-CB 3.99Å; F561-A585 HydrophobicContact CE1-CB 4.33Å; F561-A585 HydrophobicContact CG-CB 4.21Å; F561-Y598 HydrophobicContact CD1-CE1 4.44Å; F561-Y598 AromaticContact CE1-CD1 3.86Å; F561-Y598 HydrophobicContact CE1-CD1 4.03Å; F561-Y598 AromaticContact CE1-CE1 3.78Å; F561-Y598 HydrophobicContact CE1-CE1 3.78Å; F561-Y598 HydrophobicContact CZ-CD1 4.27Å; F561-Y598 HydrophobicContact CZ-CE1 4.35Å; F561-V641 HydrophobicContact CZ-CG1 4.27Å; F561-A643 HydrophobicContact CD1-CB 4.48Å; F561-A643 HydrophobicContact CD2-CB 4.31Å; F561-A643 HydrophobicContact CE1-CB 3.86Å; F561-A643 HydrophobicContact CE2-CB 3.52Å; F561-A643 VanDerWaalsContact CE2-CB 3.49Å; F561-A643 HydrophobicContact CZ-CB 3.27Å; F561-S653 WeakPolarHBondContact CD2-OG 3.17Å; F561-S653 WeakPolarHBondContact CE2-OG 3.49Å; F561-V655 HydrophobicContact CB-CB 4.45Å; F561-V655 HydrophobicContact CD1-CB 4.5Å; F561-V655 HydrophobicContact CD1-CG1 4.12Å; F561-V655 HydrophobicContact CD2-CB 3.84Å; F561-V655 VanDerWaalsContact CD2-CB 3.45Å; F561-V655 HydrophobicContact CD2-CG1 4.05Å; F561-V655 HydrophobicContact CE1-CG1 3.88Å; F561-V655 HydrophobicContact CE2-CB 3.93Å; F561-V655 HydrophobicContact CE2-CG1 3.78Å; F561-V655 HydrophobicContact CG-CB 4.17Å; F561-V655 HydrophobicContact CG-CG1 4.19Å; F561-V655 HydrophobicContact CZ-CB 4.34Å; F561-V655 HydrophobicContact CZ-CG1 3.68Å
562Q80.8Confident81Confident110 Ų11059 Ų5951%0.51432%0.321SS..SBendtrans-67.8-9.9176.3-67.5-175.7-29.200114.7R584Q562-R584 HydrophobicContact CG-CB 4.48Å; Q562-R584 PolarHBondContact N-O 3.3Å
563K70.7Confident80.6Confident127 Ų12761 Ų6155%0.55233%0.332SS*.  trans-151.6144.6177.1-58.5-171.2-178.9-175.90110.5F561 A565 Y566 V655F561-K563 VanDerWaalsContact C-N 3.33Å; F561-K563 WeakPolarHBondContact CB-O 3.4Å; F561-K563 PolarHBondContact O-N 2.91Å; K563-A565 VanDerWaalsContact C-N 3.3Å; K563-A565 PolarHBondContact O-N 3.18Å; K563-Y566 HydrophobicContact CB-CD1 4.37Å; K563-Y566 HydrophobicContact CB-CE1 3.82Å; K563-Y566 HydrophobicContact CB-CE2 4.07Å; K563-Y566 HydrophobicContact CD-CD1 4.02Å; K563-Y566 HydrophobicContact CD-CE1 3.8Å; K563-Y566 HydrophobicContact CG-CE1 3.8Å; K563-Y566 PolarHBondContact N-OH 3.47Å; K563-Y566 WeakPolarHBondContact O-CE2 3.2Å; K563-V655 WeakPolarHBondContact O-CG2 3.34Å
564D75Confident80Confident152 Ų15263.8 Ų63.881%0.81334%0.344SS*.SBendtrans-76.5-18.2-177.9-49.4-58.2000114.7V655 P656D564-V655 WeakPolarHBondContact O-CG2 3.05Å; D564-P656 VanDerWaalsContact O-CD 3.29Å; D564-P656 WeakPolarHBondContact O-CD 3.35Å
565A80.3Confident78.9Confident52.5 Ų52.566.7 Ų66.743%0.43436%0.364SS..  trans-156156.2175.300000110.8K563 V655 P656K563-A565 VanDerWaalsContact C-N 3.3Å; K563-A565 PolarHBondContact O-N 3.18Å; A565-V655 VanDerWaalsContact CA-CG2 3.49Å; A565-P656 HydrophobicContact CB-CG 4.21Å
566Y81.9Confident77.9Confident19 Ų1969.4 Ų69.48%0.07539%0.385CS..EExtended strand (participates in β ladder)trans-127.2145171.8-62.6-96.9000110.9F561 K563 V581 R582 L583 V655 P656 V657 T658F561-Y566 HydrophobicContact CB-CE2 4.29Å; F561-Y566 HydrophobicContact CD1-CE2 4.28Å; F561-Y566 HydrophobicContact CG-CE2 4.43Å; K563-Y566 HydrophobicContact CB-CD1 4.37Å; K563-Y566 HydrophobicContact CB-CE1 3.82Å; K563-Y566 HydrophobicContact CB-CE2 4.07Å; K563-Y566 HydrophobicContact CD-CD1 4.02Å; K563-Y566 HydrophobicContact CD-CE1 3.8Å; K563-Y566 HydrophobicContact CG-CE1 3.8Å; K563-Y566 PolarHBondContact N-OH 3.47Å; K563-Y566 WeakPolarHBondContact O-CE2 3.2Å; Y566-V581 HydrophobicContact CD1-CG1 3.86Å; Y566-V581 HydrophobicContact CD2-CG1 4.47Å; Y566-V581 HydrophobicContact CG-CG1 3.82Å; Y566-R582 WeakPolarHBondContact CD1-O 3.46Å; Y566-R582 WeakPolarHBondContact CE1-O 3.27Å; Y566-L583 HydrophobicContact CD1-CB 4.29Å; Y566-L583 HydrophobicContact CD2-CB 4.06Å; Y566-L583 HydrophobicContact CD2-CD2 4.11Å; Y566-L583 HydrophobicContact CE1-CB 3.74Å; Y566-L583 HydrophobicContact CE2-CB 3.52Å; Y566-L583 HydrophobicContact CE2-CD2 4.34Å; Y566-L583 HydrophobicContact CE2-CG 4.48Å; Y566-L583 HydrophobicContact CG-CB 4.24Å; Y566-L583 VanDerWaalsContact CZ-CB 3.43Å; Y566-L583 WeakPolarHBondContact OH-CA 3.4Å; Y566-V655 HydrophobicContact CD2-CB 4.15Å; Y566-V655 HydrophobicContact CD2-CG1 3.73Å; Y566-V655 HydrophobicContact CD2-CG2 3.71Å; Y566-V655 VanDerWaalsContact CD2-CG2 3.41Å; Y566-V655 HydrophobicContact CE2-CB 4.19Å; Y566-V655 HydrophobicContact CE2-CG1 4.09Å; Y566-V655 HydrophobicContact CE2-CG2 3.83Å; Y566-P656 PolarHBondContact N-O 3.12Å; Y566-P656 VanDerWaalsContact N-O 3.13Å; Y566-V657 HydrophobicContact CD2-CG2 4.49Å; Y566-V657 CarbonylContact O-C 3.55Å; Y566-V657 VanDerWaalsContact O-CA 3.26Å; Y566-V657 WeakPolarHBondContact O-CA 3.37Å; Y566-T658 PolarHBondContact O-N 3.11Å; Y566-T658 VanDerWaalsContact O-N 3.15Å
567V79.3Confident77.1Confident98.5 Ų98.570.5 Ų70.560%0.59739%0.394SS*.EExtended strand (participates in β ladder)trans-125.6135.8179.8-175.80000109.9T658V567-T658 CarbonylContact C-O 3.48Å; V567-T658 VanDerWaalsContact CA-O 3.29Å; V567-T658 WeakPolarHBondContact CA-O 3.16Å
568G79.6Confident76.4Confident8 Ų870.6 Ų70.68%0.08240%0.397CS..EExtended strand (participates in β ladder)trans-121.7159.8162.100000110.6T658 I659 E660G568-T658 PolarHBondContact N-O 3.09Å; G568-T658 VanDerWaalsContact O-O 3.08Å; G568-I659 CarbonylContact O-C 3.57Å; G568-I659 VanDerWaalsContact O-CA 3.29Å; G568-I659 WeakPolarHBondContact O-CA 3.36Å; G568-E660 PolarHBondContact O-N 3.05Å
569A77.5Confident76Confident54 Ų5473.7 Ų73.745%0.44641%0.407SS..EExtended strand (participates in β ladder)trans-141.5149.8178.900000111.4E660 F662A569-E660 WeakPolarHBondContact CA-O 3.39Å; A569-E660 HydrophobicContact CB-CB 4.04Å; A569-F662 HydrophobicContact CB-CE2 4.3Å
570L81.2Confident75.3Confident21.5 Ų21.575.1 Ų75.111%0.11341%0.414CS..  trans-146.1167.716869.8153.8000111.1E574 L627 I659 E660 V661 F662L570-E574 HydrophobicContact CD1-CB 4.4Å; L570-L627 HydrophobicContact CD1-CB 4.38Å; L570-L627 HydrophobicContact CD1-CD1 4.1Å; L570-L627 HydrophobicContact CD2-CD1 4.31Å; L570-I659 HydrophobicContact CD2-CG2 3.61Å; L570-E660 PolarHBondContact N-O 3.16Å; L570-V661 HydrophobicContact CD2-CG2 4.03Å; L570-V661 HydrophobicContact CG-CG2 4.36Å; L570-V661 WeakPolarHBondContact O-CA 3.45Å; L570-F662 WeakPolarHBondContact O-CD2 3.47Å; L570-F662 WeakPolarHBondContact O-CE2 2.96Å
571R74.1Confident75.3Confident102.5 Ų102.572 Ų7239%0.38740%0.395SS..  trans-88.5159.5167-70.9-176.8172.2-136.1-4.4110.3F662 E664R571-F662 HydrophobicContact CG-CD2 4.3Å; R571-E664 IonicContact NH1-OE1 3.48Å; R571-E664 PolarHBondContact NH1-OE1 2.83Å
572E75.4Confident75.3Confident25 Ų2577.1 Ų77.112%0.11741%0.414CS..THydrogen-bonded Turntrans-64.2161.5163.768.8165.9166.100111.5E574 L627 Y629 V661 F662 E664E572-E574 VanDerWaalsContact C-N 3.35Å; E572-E574 PolarHBondContact O-N 3.02Å; E572-L627 CarbonylContact C-O 3.49Å; E572-L627 WeakPolarHBondContact CA-O 3.4Å; E572-Y629 VanDerWaalsContact CD-CB 3.48Å; E572-Y629 WeakPolarHBondContact OE1-CB 3.48Å; E572-Y629 WeakPolarHBondContact OE2-CB 3.38Å; E572-Y629 PolarHBondContact OE2-N 2.82Å; E572-V661 HydrophobicContact CB-CG1 4.02Å; E572-F662 VanDerWaalsContact CB-O 3.3Å; E572-F662 WeakPolarHBondContact CB-O 3.37Å; E572-F662 VanDerWaalsContact CG-O 3.23Å; E572-F662 WeakPolarHBondContact CG-O 3.47Å; E572-F662 PolarHBondContact N-O 3.05Å; E572-E664 PolarHBondContact OE1-N 2.79Å
573N76.1Confident75.6Confident108.5 Ų108.571.9 Ų71.958%0.5839%0.39SS*.THydrogen-bonded Turntrans63.46.1179.6-62.4-65.3000117P575 L627N573-P575 WeakPolarHBondContact O-CD 3.45Å; N573-L627 PolarHBondContact N-O 3.1Å
574E72Confident76.4Confident93 Ų9370.3 Ų70.344%0.43538%0.38SS..  trans-71.9120.9-175.4-158.470.9-155.200113.9L570 E572 S576 P626L570-E574 HydrophobicContact CD1-CB 4.4Å; E572-E574 VanDerWaalsContact C-N 3.35Å; E572-E574 PolarHBondContact O-N 3.02Å; E574-S576 PolarHBondContact O-N 2.87Å; E574-P626 WeakPolarHBondContact O-CA 3.25Å; E574-P626 WeakPolarHBondContact O-CB 3.15Å
575P62.5Low76.9Confident99 Ų9963.3 Ų63.364%0.64334%0.343SS*.  trans-9512.5-15636.4-39.4000118N573N573-P575 WeakPolarHBondContact O-CD 3.45Å
576S62.9Low77.1Confident81 Ų8163.7 Ų63.757%0.56634%0.341SS*.SBendtrans-135.7162.2-171.5-69.20000115.1E574 T578E574-S576 PolarHBondContact O-N 2.87Å; S576-T578 PolarHBondContact O-OG1 3.34Å
577V63.9Low77.3Confident108.5 Ų108.563.7 Ų63.766%0.65834%0.342SS*.  trans-70.1126.2176.2-1770000110V623V577-V623 CarbonylContact C-O 3.46Å; V577-V623 VanDerWaalsContact CA-O 3.32Å; V577-V623 WeakPolarHBondContact CA-O 3.49Å; V577-V623 WeakPolarHBondContact CG1-O 3.32Å
578T69.1Low77.6Confident56 Ų5665.8 Ų65.834%0.34435%0.345SS..EExtended strand (participates in β ladder)trans-130.4135.6-170.7-5.80000111.6S576 L580 S622 V623S576-T578 PolarHBondContact O-OG1 3.34Å; T578-L580 HydrophobicContact CG2-CD2 4.44Å; T578-S622 CarbonylContact O-C 3.49Å; T578-S622 VanDerWaalsContact O-CA 3.31Å; T578-S622 WeakPolarHBondContact O-CA 3.38Å; T578-S622 WeakPolarHBondContact O-CB 3.13Å; T578-V623 PolarHBondContact N-O 3.05Å; T578-V623 PolarHBondContact O-N 3.12Å
579Q75.7Confident77.9Confident132 Ų13265.5 Ų65.562%0.61734%0.342SS*.EExtended strand (participates in β ladder)trans-80.1133.1169.1-68.7-1720.300109.2V620Q579-V620 HydrophobicContact CG-CG1 4.49Å
580L73.4Confident78.2Confident30 Ų3064.8 Ų64.816%0.15733%0.333CS..EExtended strand (participates in β ladder)trans-111-45.7-173.6-77.8120.6000113.4T578 F610 I621 V623 I659T578-L580 HydrophobicContact CG2-CD2 4.44Å; L580-F610 HydrophobicContact CD1-CD1 4.12Å; L580-F610 HydrophobicContact CD1-CE1 3.81Å; L580-I621 PolarHBondContact N-O 3.03Å; L580-V623 HydrophobicContact CD1-CB 3.82Å; L580-V623 HydrophobicContact CD1-CG1 3.65Å; L580-V623 HydrophobicContact CD1-CG2 3.76Å; L580-V623 HydrophobicContact CD2-CG1 4.1Å; L580-V623 HydrophobicContact CD2-CG2 3.84Å; L580-V623 HydrophobicContact CG-CB 4.38Å; L580-V623 HydrophobicContact CG-CG1 3.95Å; L580-V623 HydrophobicContact CG-CG2 4.46Å; L580-I659 HydrophobicContact CB-CD1 4.31Å; L580-I659 HydrophobicContact CD1-CD1 3.77Å; L580-I659 HydrophobicContact CD1-CG1 4.27Å; L580-I659 HydrophobicContact CD1-CG2 4.42Å; L580-I659 HydrophobicContact CD2-CD1 3.69Å; L580-I659 HydrophobicContact CD2-CG1 4.49Å; L580-I659 HydrophobicContact CD2-CG2 3.58Å; L580-I659 HydrophobicContact CG-CD1 4.5Å
581V83.3Confident78Confident12.5 Ų12.568.4 Ų68.48%0.07636%0.358CS..EExtended strand (participates in β ladder)trans-145.4148.1-166.9168.30000112.2Y566 L583 V620 I621 V657Y566-V581 HydrophobicContact CD1-CG1 3.86Å; Y566-V581 HydrophobicContact CD2-CG1 4.47Å; Y566-V581 HydrophobicContact CG-CG1 3.82Å; V581-L583 HydrophobicContact CG1-CD2 3.98Å; V581-L583 HydrophobicContact CG1-CG 4.47Å; V581-V620 CarbonylContact O-C 3.51Å; V581-V620 WeakPolarHBondContact O-CA 3.34Å; V581-I621 HydrophobicContact CB-CB 4.29Å; V581-I621 HydrophobicContact CB-CD1 4.26Å; V581-I621 HydrophobicContact CG1-CD1 4.23Å; V581-I621 PolarHBondContact N-O 2.93Å; V581-I621 PolarHBondContact O-N 2.82Å; V581-V657 HydrophobicContact CB-CG1 4.38Å; V581-V657 HydrophobicContact CG1-CG1 4.31Å; V581-V657 HydrophobicContact CG2-CG1 3.85Å
582R85.8Confident78.2Confident128.5 Ų128.567.4 Ų67.449%0.48537%0.365SS..EExtended strand (participates in β ladder)trans-129.7139.1168.2-56.1-169.8179.6178-0.2111.2Y566 G619 V620Y566-R582 WeakPolarHBondContact CD1-O 3.46Å; Y566-R582 WeakPolarHBondContact CE1-O 3.27Å; R582-G619 CarbonylContact C-O 3.51Å; R582-G619 VanDerWaalsContact CA-O 3.23Å; R582-G619 WeakPolarHBondContact CA-O 3.24Å; R582-V620 HydrophobicContact CB-CG2 4.48Å; R582-V620 HydrophobicContact CG-CB 4.47Å; R582-V620 HydrophobicContact CG-CG1 4.12Å; R582-V620 HydrophobicContact CG-CG2 3.99Å
583L87.3Confident78.5Confident1.5 Ų1.567.2 Ų67.21%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-145.4154.1-171.753.688.1000113.3F561 Y566 V581 Y598 I612 Y618 G619 I621 V641 V655 V657F561-L583 HydrophobicContact CD1-CB 4.28Å; F561-L583 HydrophobicContact CD1-CD1 4.38Å; F561-L583 HydrophobicContact CE1-CB 4.36Å; F561-L583 HydrophobicContact CE1-CD1 3.79Å; F561-L583 HydrophobicContact CE1-CG 4.44Å; F561-L583 HydrophobicContact CZ-CD1 4.43Å; Y566-L583 HydrophobicContact CD1-CB 4.29Å; Y566-L583 HydrophobicContact CD2-CB 4.06Å; Y566-L583 HydrophobicContact CD2-CD2 4.11Å; Y566-L583 HydrophobicContact CE1-CB 3.74Å; Y566-L583 HydrophobicContact CE2-CB 3.52Å; Y566-L583 HydrophobicContact CE2-CD2 4.34Å; Y566-L583 HydrophobicContact CE2-CG 4.48Å; Y566-L583 HydrophobicContact CG-CB 4.24Å; Y566-L583 VanDerWaalsContact CZ-CB 3.43Å; Y566-L583 WeakPolarHBondContact OH-CA 3.4Å; V581-L583 HydrophobicContact CG1-CD2 3.98Å; V581-L583 HydrophobicContact CG1-CG 4.47Å; L583-Y598 HydrophobicContact CD1-CD1 3.94Å; L583-Y598 HydrophobicContact CD1-CE1 4.22Å; L583-Y598 HydrophobicContact CD1-CG 4.34Å; L583-I612 HydrophobicContact CD1-CD1 4.47Å; L583-Y618 CarbonylContact O-C 3.52Å; L583-Y618 VanDerWaalsContact O-CA 3.26Å; L583-Y618 WeakPolarHBondContact O-CA 3.33Å; L583-Y618 WeakPolarHBondContact O-CB 3.45Å; L583-G619 PolarHBondContact N-O 2.9Å; L583-G619 PolarHBondContact O-N 2.97Å; L583-I621 HydrophobicContact CD2-CD1 4.09Å; L583-V641 HydrophobicContact CD1-CG1 3.88Å; L583-V641 HydrophobicContact CD2-CB 4.2Å; L583-V641 HydrophobicContact CD2-CG1 3.89Å; L583-V641 HydrophobicContact CD2-CG2 4.14Å; L583-V655 HydrophobicContact CD2-CG1 4.02Å; L583-V657 HydrophobicContact CD2-CG2 4.06Å
584R87.2Confident78.9Confident92 Ų9264.6 Ų64.635%0.34735%0.351SS..  trans-154.3152.7179.7173.1172.4177.5-171.6-0.6112.4F561 Q562 Y598 G617 Y618F561-R584 CarbonylContact C-O 3.22Å; F561-R584 VanDerWaalsContact CA-O 3.24Å; F561-R584 WeakPolarHBondContact CA-O 3.23Å; F561-R584 WeakPolarHBondContact CD1-O 3.32Å; Q562-R584 HydrophobicContact CG-CB 4.48Å; Q562-R584 PolarHBondContact N-O 3.3Å; R584-Y598 VanDerWaalsContact CA-OH 3.29Å; R584-Y598 WeakPolarHBondContact CA-OH 3.3Å; R584-G617 WeakPolarHBondContact CG-O 3.42Å; R584-Y618 HydrophobicContact CB-CD1 3.54Å; R584-Y618 HydrophobicContact CB-CE1 3.7Å; R584-Y618 HydrophobicContact CB-CG 4Å; R584-Y618 HydrophobicContact CG-CD1 4.38Å; R584-Y618 HydrophobicContact CG-CE1 4.29Å
585A86.8Confident79.5Confident5.5 Ų5.565.1 Ų65.15%0.04536%0.356CS..EExtended strand (participates in β ladder)trans-129.716717400000113.6P559 T560 F561 I596 Y598 A643P559-A585 HydrophobicContact CB-CB 4.41Å; T560-A585 CarbonylContact O-C 3.54Å; T560-A585 WeakPolarHBondContact O-CA 3.32Å; T560-A585 WeakPolarHBondContact O-CB 3.37Å; F561-A585 HydrophobicContact CD1-CB 3.99Å; F561-A585 HydrophobicContact CE1-CB 4.33Å; F561-A585 HydrophobicContact CG-CB 4.21Å; A585-I596 HydrophobicContact CB-CD1 4.08Å; A585-I596 HydrophobicContact CB-CG2 4.43Å; A585-Y598 HydrophobicContact CB-CE1 4.25Å; A585-Y598 PolarHBondContact N-OH 2.78Å; A585-A643 HydrophobicContact CB-CB 3.9Å
586T84.9Confident80.6Confident61.5 Ų61.562.4 Ų62.438%0.37734%0.335SS..EExtended strand (participates in β ladder)trans-142.9161.2177.247.30000111.2P559 T560P559-T586 CarbonylContact C-O 3.5Å; P559-T586 WeakPolarHBondContact CA-O 3.45Å; T560-T586 PolarHBondContact N-O 3.06Å; T560-T586 PolarHBondContact O-N 3.38Å
587D85.9Confident81.8Confident19 Ų1962.3 Ų62.310%0.10233%0.332CS..  trans-151.1141.8-174-164.2-39.1000108.8N557 P559 D589 N594 I596N557-D587 VanDerWaalsContact O-CG 3.24Å; N557-D587 VanDerWaalsContact O-OD1 3.12Å; P559-D587 VanDerWaalsContact CD-OD2 3.27Å; P559-D587 WeakPolarHBondContact CD-OD2 3.41Å; P559-D587 VanDerWaalsContact CG-OD2 3.29Å; P559-D587 WeakPolarHBondContact CG-OD2 3.41Å; D587-D589 PolarHBondContact OD1-N 3.25Å; D587-N594 HydrophobicContact CB-CB 3.86Å; D587-N594 VanDerWaalsContact OD1-CA 3.31Å; D587-N594 WeakPolarHBondContact OD1-CA 3.33Å; D587-N594 WeakPolarHBondContact OD1-CB 3.36Å; D587-I596 HydrophobicContact CB-CD1 4.11Å; D587-I596 HydrophobicContact CB-CG1 4.27Å
588E84.2Confident83.1Confident143 Ų14358.7 Ų58.767%0.66831%0.307SS*.  trans-103.3-16.4-168.6-58.7-65.3128.300113.7N557N557-E588 HydrophobicContact CB-CB 4.11Å
589D87.5Confident84.1Confident1.5 Ų1.558.1 Ų58.11%0.00831%0.305CS..SBendtrans-61.2163.8179.9-68.2-21.1000112N555 D556 N557 D587 N593 N594N555-D589 VanDerWaalsContact CA-OD2 3.23Å; N555-D589 WeakPolarHBondContact CA-OD2 3.43Å; N555-D589 PolarHBondContact ND2-OD2 3.1Å; N555-D589 PolarHBondContact OD1-OD2 2.81Å; D556-D589 PolarHBondContact N-OD2 3.26Å; N557-D589 VanDerWaalsContact CB-OD1 3.27Å; N557-D589 WeakPolarHBondContact CB-OD1 3.21Å; N557-D589 PolarHBondContact N-OD1 2.92Å; N557-D589 VanDerWaalsContact N-OD1 3.16Å; N557-D589 PolarHBondContact N-OD2 3.41Å; N557-D589 VanDerWaalsContact N-OD2 3.08Å; N557-D589 PolarHBondContact ND2-OD1 2.76Å; D587-D589 PolarHBondContact OD1-N 3.25Å; D589-N593 HydrophobicContact CB-CB 3.45Å; D589-N593 VanDerWaalsContact CB-CB 3.45Å; D589-N594 VanDerWaalsContact O-CB 3.28Å; D589-N594 WeakPolarHBondContact O-CB 3.36Å; D589-N594 VanDerWaalsContact O-CG 3.25Å; D589-N594 PolarHBondContact O-ND2 2.82Å
590S82.5Confident84.7Confident38.5 Ų38.554.1 Ų54.127%0.26929%0.287SS..PPolyproline II helixtrans-82.6148.9178.998.40000113.4D553 N593D553-S590 VanDerWaalsContact OD2-CA 3.32Å; D553-S590 WeakPolarHBondContact OD2-CA 3.22Å; D553-S590 VanDerWaalsContact OD2-CB 3.24Å; D553-S590 WeakPolarHBondContact OD2-CB 3.38Å; D553-S590 PolarHBondContact OD2-N 3.23Å; D553-S590 PolarHBondContact OD2-OG 2.81Å; S590-N593 VanDerWaalsContact O-CB 3.27Å; S590-N593 WeakPolarHBondContact O-CB 3.4Å; S590-N593 PolarHBondContact O-N 3.15Å
591P76.9Confident85.3Confident97 Ų9756.9 Ų56.963%0.6331%0.305SS*.THydrogen-bonded Turntrans-59.8130-178.8-23.633.1000112.4L595P591-L595 HydrophobicContact CB-CD1 4.24Å
592P79.5Confident85.5Confident81.5 Ų81.561 Ų6153%0.52933%0.326SS..THydrogen-bonded Turncis-93-325.436.6-38.3000116.2N594 L595 A646P592-N594 VanDerWaalsContact C-N 3.35Å; P592-N594 PolarHBondContact O-N 2.72Å; P592-L595 HydrophobicContact CB-CD1 4.46Å; P592-L595 WeakPolarHBondContact O-CD1 3.4Å; P592-L595 PolarHBondContact O-N 2.86Å; P592-A646 CarbonylContact O-C 3.5Å; P592-A646 WeakPolarHBondContact O-CB 3.21Å
593N81.9Confident85.5Confident22 Ų2256 Ų5612%0.11831%0.313CS..THydrogen-bonded Turntrans-57.8-47.8-168.2-65-15.1000111.2D553 N555 D589 S590 L595 D645 A646 G647D553-N593 VanDerWaalsContact CG-ND2 3.33Å; D553-N593 PolarHBondContact OD1-ND2 2.83Å; D553-N593 PolarHBondContact OD2-ND2 3.38Å; N555-N593 WeakPolarHBondContact CA-ND2 3.09Å; N555-N593 HydrophobicContact CB-CB 4.21Å; N555-N593 PolarHBondContact N-ND2 3.35Å; N555-N593 VanDerWaalsContact OD1-CB 3.27Å; N555-N593 WeakPolarHBondContact OD1-CB 3.37Å; D589-N593 HydrophobicContact CB-CB 3.45Å; D589-N593 VanDerWaalsContact CB-CB 3.45Å; S590-N593 VanDerWaalsContact O-CB 3.27Å; S590-N593 WeakPolarHBondContact O-CB 3.4Å; S590-N593 PolarHBondContact O-N 3.15Å; N593-L595 VanDerWaalsContact C-N 3.29Å; N593-L595 PolarHBondContact O-N 3.39Å; N593-D645 WeakPolarHBondContact O-CB 3.17Å; N593-A646 PolarHBondContact O-N 3.03Å; N593-G647 WeakPolarHBondContact OD1-CA 3.45Å
594N83.2Confident85.4Confident52.5 Ų52.559.2 Ų59.228%0.28134%0.335SS..THydrogen-bonded Turntrans-76.123.3-172.367.48.3000120.1D587 D589 P592 I596D587-N594 HydrophobicContact CB-CB 3.86Å; D587-N594 VanDerWaalsContact OD1-CA 3.31Å; D587-N594 WeakPolarHBondContact OD1-CA 3.33Å; D587-N594 WeakPolarHBondContact OD1-CB 3.36Å; D589-N594 VanDerWaalsContact O-CB 3.28Å; D589-N594 WeakPolarHBondContact O-CB 3.36Å; D589-N594 VanDerWaalsContact O-CG 3.25Å; D589-N594 PolarHBondContact O-ND2 2.82Å; P592-N594 VanDerWaalsContact C-N 3.35Å; P592-N594 PolarHBondContact O-N 2.72Å; N594-I596 PolarHBondContact O-N 2.57Å
595L84.2Confident85.1Confident104 Ų10455.9 Ų55.955%0.54533%0.328SS..  trans-98.9102.8-173.5-94.5126.7000115P591 P592 N593 D645 A646P591-L595 HydrophobicContact CB-CD1 4.24Å; P592-L595 HydrophobicContact CB-CD1 4.46Å; P592-L595 WeakPolarHBondContact O-CD1 3.4Å; P592-L595 PolarHBondContact O-N 2.86Å; N593-L595 VanDerWaalsContact C-N 3.29Å; N593-L595 PolarHBondContact O-N 3.39Å; L595-D645 CarbonylContact O-C 3.54Å; L595-D645 VanDerWaalsContact O-C 3.26Å; L595-D645 WeakPolarHBondContact O-CA 3.39Å; L595-A646 HydrophobicContact CB-CB 3.76Å; L595-A646 PolarHBondContact O-N 2.89Å; L595-A646 VanDerWaalsContact O-N 3.15Å
596I86.3Confident85Confident42 Ų4258.6 Ų58.622%0.21534%0.339CS..  trans-92.5142.2-165.8-53.1170.9000115.6P559 A585 D587 N594 Y598 A643 K644P559-I596 HydrophobicContact CB-CD1 4.01Å; P559-I596 HydrophobicContact CB-CG1 4.06Å; P559-I596 HydrophobicContact CB-CG2 4.28Å; P559-I596 HydrophobicContact CG-CG1 4.23Å; A585-I596 HydrophobicContact CB-CD1 4.08Å; A585-I596 HydrophobicContact CB-CG2 4.43Å; D587-I596 HydrophobicContact CB-CD1 4.11Å; D587-I596 HydrophobicContact CB-CG1 4.27Å; N594-I596 PolarHBondContact O-N 2.57Å; I596-Y598 HydrophobicContact CG2-CE1 4.22Å; I596-Y598 HydrophobicContact CG2-CE2 4.48Å; I596-A643 HydrophobicContact CG2-CB 3.84Å; I596-K644 CarbonylContact C-O 3.56Å; I596-K644 VanDerWaalsContact CA-O 3.25Å; I596-K644 WeakPolarHBondContact CA-O 3.35Å
597T88.3Confident84.7Confident79.5 Ų79.557.4 Ų57.449%0.48834%0.339SS..EExtended strand (participates in β ladder)trans-132150172.657.50000113.3A643 K644T597-A643 CarbonylContact O-C 3.49Å; T597-A643 VanDerWaalsContact O-CA 3.3Å; T597-A643 WeakPolarHBondContact O-CA 3.23Å; T597-K644 PolarHBondContact N-O 2.81Å; T597-K644 PolarHBondContact O-N 2.84Å; T597-K644 PolarHBondContact OG1-O 3.01Å; T597-K644 VanDerWaalsContact OG1-O 3.12Å
598Y90.7Very high84.6Confident33.5 Ų33.561.6 Ų61.613%0.13137%0.369CS..EExtended strand (participates in β ladder)trans-117.3148.2-176.2-54.3-75.8000115F561 L583 R584 A585 I596 I614 G617 M642 A643F561-Y598 HydrophobicContact CD1-CE1 4.44Å; F561-Y598 AromaticContact CE1-CD1 3.86Å; F561-Y598 HydrophobicContact CE1-CD1 4.03Å; F561-Y598 AromaticContact CE1-CE1 3.78Å; F561-Y598 HydrophobicContact CE1-CE1 3.78Å; F561-Y598 HydrophobicContact CZ-CD1 4.27Å; F561-Y598 HydrophobicContact CZ-CE1 4.35Å; L583-Y598 HydrophobicContact CD1-CD1 3.94Å; L583-Y598 HydrophobicContact CD1-CE1 4.22Å; L583-Y598 HydrophobicContact CD1-CG 4.34Å; R584-Y598 VanDerWaalsContact CA-OH 3.29Å; R584-Y598 WeakPolarHBondContact CA-OH 3.3Å; A585-Y598 HydrophobicContact CB-CE1 4.25Å; A585-Y598 PolarHBondContact N-OH 2.78Å; I596-Y598 HydrophobicContact CG2-CE1 4.22Å; I596-Y598 HydrophobicContact CG2-CE2 4.48Å; Y598-I614 HydrophobicContact CD2-CD1 3.89Å; Y598-I614 HydrophobicContact CD2-CG1 4Å; Y598-I614 HydrophobicContact CD2-CG2 4.34Å; Y598-G617 VanDerWaalsContact CE2-O 3.25Å; Y598-G617 WeakPolarHBondContact CE2-O 3.33Å; Y598-G617 PolarHBondContact OH-O 3.16Å; Y598-M642 VanDerWaalsContact CA-O 3.25Å; Y598-M642 WeakPolarHBondContact CA-O 3.33Å; Y598-A643 HydrophobicContact CD1-CB 3.92Å; Y598-A643 HydrophobicContact CE1-CB 3.85Å
599S90.1Very high84.7Confident43 Ų4357.2 Ų57.230%0.30135%0.347SS..EExtended strand (participates in β ladder)trans-159.3152.5170.957.40000114.2V601 V641 M642S599-V601 PolarHBondContact O-N 2.85Å; S599-V641 CarbonylContact O-C 3.57Å; S599-V641 VanDerWaalsContact O-CA 3.26Å; S599-V641 WeakPolarHBondContact O-CA 3.37Å; S599-V641 WeakPolarHBondContact O-CG1 3.27Å; S599-M642 PolarHBondContact N-O 3.07Å; S599-M642 VanDerWaalsContact N-O 3.15Å; S599-M642 PolarHBondContact O-N 2.94Å
600I89Confident84.7Confident48 Ų4858.1 Ų58.125%0.24635%0.351CS..EExtended strand (participates in β ladder)trans-81.1122164.7-70165000108.1N602 I612 I621 T640 V641I600-N602 WeakPolarHBondContact CG2-O 3.36Å; I600-I612 HydrophobicContact CB-CG2 4.24Å; I600-I612 HydrophobicContact CD1-CB 3.7Å; I600-I612 HydrophobicContact CD1-CG2 3.9Å; I600-I612 HydrophobicContact CG1-CB 3.89Å; I600-I612 HydrophobicContact CG1-CD1 4.22Å; I600-I612 HydrophobicContact CG1-CG2 3.75Å; I600-I621 HydrophobicContact CD1-CD1 4.36Å; I600-I621 HydrophobicContact CD1-CG1 4.35Å; I600-I621 HydrophobicContact CD1-CG2 4.31Å; I600-T640 CarbonylContact C-O 3.56Å; I600-T640 WeakPolarHBondContact CA-O 3.33Å; I600-V641 HydrophobicContact CG1-CG2 3.94Å
601V86.2Confident84.9Confident88 Ų8861.3 Ų61.353%0.53337%0.365SS..EExtended strand (participates in β ladder)trans-88.1-33.8-179.3-178.10000111.7S599 T640 M642S599-V601 PolarHBondContact O-N 2.85Å; V601-T640 PolarHBondContact N-O 3.24Å; V601-M642 HydrophobicContact CG2-CB 3.6Å; V601-M642 HydrophobicContact CG2-CE 4.19Å; V601-M642 HydrophobicContact CG2-CG 4.41Å; V601-M642 HydrophobicContact CG2-SD 4.27Å
602N87.1Confident85.5Confident98.3333 Ų98.333358.2 Ų58.253%0.52634%0.343SS..EExtended strand (participates in β ladder)trans-153.2155.3-175.7-169.423.4000111.6I600 L639 T640I600-N602 WeakPolarHBondContact CG2-O 3.36Å; N602-L639 CarbonylContact O-C 3.59Å; N602-L639 VanDerWaalsContact O-CA 3.28Å; N602-L639 WeakPolarHBondContact O-CA 3.39Å; N602-T640 PolarHBondContact O-N 3.17Å; N602-T640 VanDerWaalsContact O-N 3.15Å
603A86.1Confident85.8Confident23.6667 Ų23.666757.4 Ų57.420%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-145.7126.2172.300000109.6A605 G607 Y638 L639A603-A605 VanDerWaalsContact C-N 3.33Å; A603-A605 PolarHBondContact O-N 3.11Å; A603-G607 VanDerWaalsContact CB-CA 3.47Å; A603-Y638 CarbonylContact C-O 3.42Å; A603-Y638 WeakPolarHBondContact CA-O 3.32Å; A603-L639 HydrophobicContact CB-CD2 3.46Å; A603-L639 VanDerWaalsContact CB-CD2 3.46Å
604S85.2Confident85.8Confident68.3333 Ų68.333361.2 Ų61.248%0.47836%0.358SS..SBendtrans-69-30.1-171.466.30000114.6L636 I637 Y638S604-L636 PolarHBondContact OG-O 2.85Å; S604-I637 WeakPolarHBondContact OG-CA 3.07Å; S604-Y638 PolarHBondContact N-O 3.02Å; S604-Y638 PolarHBondContact OG-N 3.06Å
605A81.2Confident85.6Confident24 Ų2465.2 Ų65.220%0.19837%0.37CS..SBendtrans-148.9157.5174.800000109.4A603 G607 I637A603-A605 VanDerWaalsContact C-N 3.33Å; A603-A605 PolarHBondContact O-N 3.11Å; A605-G607 PolarHBondContact O-N 3.11Å; A605-I637 HydrophobicContact CB-CG1 4.42Å; A605-I637 HydrophobicContact CB-CG2 4.16Å; A605-I637 WeakPolarHBondContact O-CG2 3.37Å
606F83.3Confident85.3Confident61.6667 Ų61.666767.5 Ų67.527%0.2738%0.378SS..  trans50.930.4174.7-54-79.4000115.4S608 Y609 F610 L627 Q631 I632 I637F606-S608 PolarHBondContact O-N 3.01Å; F606-Y609 HydrophobicContact CB-CD1 4.17Å; F606-Y609 HydrophobicContact CB-CD2 4.05Å; F606-Y609 HydrophobicContact CB-CE1 4.17Å; F606-Y609 HydrophobicContact CB-CE2 4.02Å; F606-Y609 HydrophobicContact CB-CG 3.92Å; F606-Y609 HydrophobicContact CD1-CD1 4.3Å; F606-Y609 AromaticContact CD1-CD2 3.94Å; F606-Y609 HydrophobicContact CD1-CD2 4.03Å; F606-Y609 AromaticContact CD1-CE1 3.91Å; F606-Y609 HydrophobicContact CD1-CE1 3.91Å; F606-Y609 AromaticContact CD1-CE2 3.63Å; F606-Y609 HydrophobicContact CD1-CE2 3.63Å; F606-Y609 HydrophobicContact CD1-CG 4.25Å; F606-Y609 AromaticContact CD1-CZ 3.82Å; F606-Y609 HydrophobicContact CE1-CE2 4.34Å; F606-Y609 HydrophobicContact CG-CD1 4.34Å; F606-Y609 HydrophobicContact CG-CD2 4.27Å; F606-Y609 HydrophobicContact CG-CE1 4.26Å; F606-Y609 HydrophobicContact CG-CE2 4.08Å; F606-Y609 WeakPolarHBondContact O-CA 3.18Å; F606-Y609 VanDerWaalsContact O-CB 3.26Å; F606-Y609 WeakPolarHBondContact O-CB 3.3Å; F606-Y609 PolarHBondContact O-N 3.05Å; F606-F610 HydrophobicContact CB-CE2 4.29Å; F606-F610 VanDerWaalsContact O-CD2 3.32Å; F606-F610 WeakPolarHBondContact O-CD2 3.36Å; F606-L627 HydrophobicContact CB-CD2 4.09Å; F606-L627 HydrophobicContact CD1-CD2 4.24Å; F606-L627 HydrophobicContact CD2-CD2 3.86Å; F606-L627 HydrophobicContact CE1-CD2 4.1Å; F606-L627 HydrophobicContact CE2-CD2 4.2Å; F606-L627 HydrophobicContact CG-CD2 3.88Å; F606-L627 HydrophobicContact CZ-CD2 4.04Å; F606-Q631 HydrophobicContact CE2-CB 4.25Å; F606-Q631 HydrophobicContact CZ-CB 3.72Å; F606-I632 HydrophobicContact CD2-CG1 4.21Å; F606-I632 HydrophobicContact CE2-CD1 4.29Å; F606-I632 HydrophobicContact CE2-CG1 3.8Å; F606-I632 HydrophobicContact CZ-CD1 4.36Å; F606-I632 HydrophobicContact CZ-CG1 4.34Å; F606-I637 HydrophobicContact CD2-CD1 3.91Å
607G79.6Confident84.8Confident36.6667 Ų36.666767.3 Ų67.338%0.37839%0.386SS..G310 helixtrans-55.1-28.5-170.300000116A603 A605 Y609 F610A603-G607 VanDerWaalsContact CB-CA 3.47Å; A605-G607 PolarHBondContact O-N 3.11Å; G607-Y609 VanDerWaalsContact C-N 3.3Å; G607-Y609 PolarHBondContact O-N 2.76Å; G607-Y609 VanDerWaalsContact O-N 3.16Å; G607-F610 PolarHBondContact O-N 3.02Å
608S82.9Confident84.5Confident106 Ų10667.6 Ų67.674%0.74138%0.379SS*.G310 helixtrans-77.13.4174.361.50000114.7F606F606-S608 PolarHBondContact O-N 3.01Å
609Y86.6Confident84.3Confident50.6667 Ų50.666766 Ų6620%0.19937%0.373CS..G310 helixtrans-96.5-16.9175.9-66.724.3000111.1F606 G607 V623 S624 R625 P626 L627F606-Y609 HydrophobicContact CB-CD1 4.17Å; F606-Y609 HydrophobicContact CB-CD2 4.05Å; F606-Y609 HydrophobicContact CB-CE1 4.17Å; F606-Y609 HydrophobicContact CB-CE2 4.02Å; F606-Y609 HydrophobicContact CB-CG 3.92Å; F606-Y609 HydrophobicContact CD1-CD1 4.3Å; F606-Y609 AromaticContact CD1-CD2 3.94Å; F606-Y609 HydrophobicContact CD1-CD2 4.03Å; F606-Y609 AromaticContact CD1-CE1 3.91Å; F606-Y609 HydrophobicContact CD1-CE1 3.91Å; F606-Y609 AromaticContact CD1-CE2 3.63Å; F606-Y609 HydrophobicContact CD1-CE2 3.63Å; F606-Y609 HydrophobicContact CD1-CG 4.25Å; F606-Y609 AromaticContact CD1-CZ 3.82Å; F606-Y609 HydrophobicContact CE1-CE2 4.34Å; F606-Y609 HydrophobicContact CG-CD1 4.34Å; F606-Y609 HydrophobicContact CG-CD2 4.27Å; F606-Y609 HydrophobicContact CG-CE1 4.26Å; F606-Y609 HydrophobicContact CG-CE2 4.08Å; F606-Y609 WeakPolarHBondContact O-CA 3.18Å; F606-Y609 VanDerWaalsContact O-CB 3.26Å; F606-Y609 WeakPolarHBondContact O-CB 3.3Å; F606-Y609 PolarHBondContact O-N 3.05Å; G607-Y609 VanDerWaalsContact C-N 3.3Å; G607-Y609 PolarHBondContact O-N 2.76Å; G607-Y609 VanDerWaalsContact O-N 3.16Å; Y609-V623 CarbonylContact O-C 3.49Å; Y609-V623 WeakPolarHBondContact O-CA 3.2Å; Y609-S624 WeakPolarHBondContact CA-OG 3.35Å; Y609-S624 WeakPolarHBondContact O-CB 3.45Å; Y609-S624 PolarHBondContact O-N 3.04Å; Y609-S624 PolarHBondContact O-OG 2.93Å; Y609-R625 HydrophobicContact CD1-CB 3.76Å; Y609-R625 HydrophobicContact CD2-CB 3.56Å; Y609-R625 HydrophobicContact CD2-CG 4.26Å; Y609-R625 HydrophobicContact CE1-CB 3.59Å; Y609-R625 HydrophobicContact CE1-CG 4.46Å; Y609-R625 HydrophobicContact CE2-CB 3.95Å; Y609-R625 HydrophobicContact CE2-CG 4.41Å; Y609-R625 HydrophobicContact CG-CB 4.15Å; Y609-R625 HydrophobicContact CG-CG 4.37Å; Y609-R625 VanDerWaalsContact CZ-CD 3.48Å; Y609-P626 WeakPolarHBondContact CE2-O 3.21Å; Y609-L627 HydrophobicContact CD1-CD2 4.28Å; Y609-L627 HydrophobicContact CD2-CD2 4.12Å; Y609-L627 HydrophobicContact CE1-CD2 3.94Å; Y609-L627 HydrophobicContact CE2-CD2 4.34Å
610F87.8Confident84.2Confident21.3333 Ų21.333364.5 Ų64.59%0.09436%0.362CS..EExtended strand (participates in β ladder)trans-102.3144.6-178.5-59.1-86.8000112L580 F606 G607 I621 S622 V623 L627 I637 L639 I659L580-F610 HydrophobicContact CD1-CD1 4.12Å; L580-F610 HydrophobicContact CD1-CE1 3.81Å; F606-F610 HydrophobicContact CB-CE2 4.29Å; F606-F610 VanDerWaalsContact O-CD2 3.32Å; F606-F610 WeakPolarHBondContact O-CD2 3.36Å; G607-F610 PolarHBondContact O-N 3.02Å; F610-I621 HydrophobicContact CD1-CG2 4.27Å; F610-S622 VanDerWaalsContact CA-O 3.3Å; F610-S622 WeakPolarHBondContact CA-O 3.37Å; F610-V623 HydrophobicContact CD1-CB 4.07Å; F610-V623 HydrophobicContact CD1-CG2 4.1Å; F610-V623 HydrophobicContact CE1-CB 3.79Å; F610-V623 HydrophobicContact CE1-CG2 3.78Å; F610-V623 HydrophobicContact CZ-CG2 4.13Å; F610-L627 HydrophobicContact CZ-CD1 4.33Å; F610-I637 HydrophobicContact CE2-CD1 4.17Å; F610-I637 HydrophobicContact CE2-CG2 3.84Å; F610-I637 HydrophobicContact CZ-CB 4.37Å; F610-I637 HydrophobicContact CZ-CD1 3.87Å; F610-I637 HydrophobicContact CZ-CG2 3.91Å; F610-L639 HydrophobicContact CB-CD1 4.3Å; F610-L639 HydrophobicContact CB-CD2 4.28Å; F610-L639 HydrophobicContact CD1-CD1 3.88Å; F610-L639 HydrophobicContact CD1-CD2 4.31Å; F610-L639 HydrophobicContact CD2-CD2 3.9Å; F610-L639 HydrophobicContact CE1-CD1 4.27Å; F610-L639 HydrophobicContact CE1-CD2 4.48Å; F610-L639 HydrophobicContact CE2-CD2 4.15Å; F610-L639 HydrophobicContact CG-CD1 4.21Å; F610-L639 HydrophobicContact CG-CD2 3.99Å; F610-L639 HydrophobicContact CZ-CD2 4.41Å; F610-I659 HydrophobicContact CE1-CD1 4.24Å; F610-I659 HydrophobicContact CE1-CG1 3.98Å; F610-I659 HydrophobicContact CE1-CG2 4.39Å; F610-I659 HydrophobicContact CZ-CG1 4.31Å
611D86.7Confident84.3Confident105 Ų10562.2 Ų62.256%0.56135%0.35SS*.EExtended strand (participates in β ladder)trans-137.6155.5175.3-166.810.8000110.5I621 S622D611-I621 VanDerWaalsContact O-CA 3.32Å; D611-I621 WeakPolarHBondContact O-CA 3.36Å; D611-S622 PolarHBondContact N-O 3.3Å; D611-S622 PolarHBondContact O-N 3.04Å
612I90.1Very high84.2Confident33 Ų3359.3 Ų59.317%0.16933%0.334CS..EExtended strand (participates in β ladder)trans-133128.8177.3-168.3169.2000112L583 I600 V620 I621 V641L583-I612 HydrophobicContact CD1-CD1 4.47Å; I600-I612 HydrophobicContact CB-CG2 4.24Å; I600-I612 HydrophobicContact CD1-CB 3.7Å; I600-I612 HydrophobicContact CD1-CG2 3.9Å; I600-I612 HydrophobicContact CG1-CB 3.89Å; I600-I612 HydrophobicContact CG1-CD1 4.22Å; I600-I612 HydrophobicContact CG1-CG2 3.75Å; I612-V620 VanDerWaalsContact CA-O 3.31Å; I612-V620 WeakPolarHBondContact CA-O 3.37Å; I612-I621 HydrophobicContact CB-CG1 4.37Å; I612-I621 HydrophobicContact CD1-CG1 4.11Å; I612-I621 HydrophobicContact CG1-CG1 4.21Å; I612-V641 HydrophobicContact CD1-CB 4.49Å; I612-V641 HydrophobicContact CD1-CG1 3.81Å; I612-V641 HydrophobicContact CD1-CG2 4.29Å
613S85.9Confident84.2Confident64.3333 Ų64.333354.7 Ų54.745%0.4531%0.309SS..EExtended strand (participates in β ladder)trans-127.4153.3178.857.80000111.7G619 V620S613-G619 CarbonylContact O-C 3.47Å; S613-G619 VanDerWaalsContact O-CA 3.31Å; S613-G619 WeakPolarHBondContact O-CA 3.34Å; S613-V620 PolarHBondContact N-O 2.96Å; S613-V620 PolarHBondContact O-N 3.27Å
614I82.5Confident83.9Confident101.667 Ų101.66756.3 Ų56.352%0.52132%0.319SS..EExtended strand (participates in β ladder)trans-95.5125.1176.3-53.8-176.9000109.3Y598 Y618Y598-I614 HydrophobicContact CD2-CD1 3.89Å; Y598-I614 HydrophobicContact CD2-CG1 4Å; Y598-I614 HydrophobicContact CD2-CG2 4.34Å; I614-Y618 CarbonylContact C-O 3.53Å; I614-Y618 VanDerWaalsContact CA-O 3.27Å; I614-Y618 WeakPolarHBondContact CA-O 3.36Å
615Y78Confident83.5Confident136.667 Ų136.66759.7 Ų59.754%0.53632%0.321SS..EExtended strand (participates in β ladder)trans-137.5120.3177.8-169-90.9000109.7G617 Y618Y615-G617 VanDerWaalsContact C-N 3.26Å; Y615-G617 PolarHBondContact O-N 3.06Å; Y615-G617 VanDerWaalsContact O-N 3.1Å; Y615-Y618 PolarHBondContact N-O 2.91Å; Y615-Y618 WeakPolarHBondContact O-CB 3.35Å; Y615-Y618 PolarHBondContact O-N 2.98Å
616E78.6Confident83.4Confident152.333 Ų152.33361.8 Ų61.871%0.71233%0.333SS*.THydrogen-bonded Turntrans5135.2178-64177.116900114.6Y618E616-Y618 VanDerWaalsContact C-N 3.31Å; E616-Y618 WeakPolarHBondContact O-CD2 3.36Å; E616-Y618 PolarHBondContact O-N 3.23Å
617G74.9Confident83.4Confident37.3333 Ų37.333359.3 Ų59.339%0.38532%0.322SS..THydrogen-bonded Turntrans85.5-2.2-179.300000115.3R584 Y598 Y615R584-G617 WeakPolarHBondContact CG-O 3.42Å; Y598-G617 VanDerWaalsContact CE2-O 3.25Å; Y598-G617 WeakPolarHBondContact CE2-O 3.33Å; Y598-G617 PolarHBondContact OH-O 3.16Å; Y615-G617 VanDerWaalsContact C-N 3.26Å; Y615-G617 PolarHBondContact O-N 3.06Å; Y615-G617 VanDerWaalsContact O-N 3.1Å
618Y83.4Confident83.4Confident85.6667 Ų85.666760 Ų6034%0.33632%0.317SS..EExtended strand (participates in β ladder)trans-99.3144.7172.6-63.1-93.4000111.3L583 R584 I614 Y615 E616L583-Y618 CarbonylContact O-C 3.52Å; L583-Y618 VanDerWaalsContact O-CA 3.26Å; L583-Y618 WeakPolarHBondContact O-CA 3.33Å; L583-Y618 WeakPolarHBondContact O-CB 3.45Å; R584-Y618 HydrophobicContact CB-CD1 3.54Å; R584-Y618 HydrophobicContact CB-CE1 3.7Å; R584-Y618 HydrophobicContact CB-CG 4Å; R584-Y618 HydrophobicContact CG-CD1 4.38Å; R584-Y618 HydrophobicContact CG-CE1 4.29Å; I614-Y618 CarbonylContact C-O 3.53Å; I614-Y618 VanDerWaalsContact CA-O 3.27Å; I614-Y618 WeakPolarHBondContact CA-O 3.36Å; Y615-Y618 PolarHBondContact N-O 2.91Å; Y615-Y618 WeakPolarHBondContact O-CB 3.35Å; Y615-Y618 PolarHBondContact O-N 2.98Å; E616-Y618 VanDerWaalsContact C-N 3.31Å; E616-Y618 WeakPolarHBondContact O-CD2 3.36Å; E616-Y618 PolarHBondContact O-N 3.23Å
619G86.3Confident83.3Confident0 Ų057 Ų570%029%0.29CS..EExtended strand (participates in β ladder)trans-82.4136.3159.600000110.4R582 L583 S613R582-G619 CarbonylContact C-O 3.51Å; R582-G619 VanDerWaalsContact CA-O 3.23Å; R582-G619 WeakPolarHBondContact CA-O 3.24Å; L583-G619 PolarHBondContact N-O 2.9Å; L583-G619 PolarHBondContact O-N 2.97Å; S613-G619 CarbonylContact O-C 3.47Å; S613-G619 VanDerWaalsContact O-CA 3.31Å; S613-G619 WeakPolarHBondContact O-CA 3.34Å
620V88.1Confident83Confident11 Ų1157.3 Ų57.37%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-126.5123.9-177.5-175.20000110.3Q579 V581 R582 I612 S613Q579-V620 HydrophobicContact CG-CG1 4.49Å; V581-V620 CarbonylContact O-C 3.51Å; V581-V620 WeakPolarHBondContact O-CA 3.34Å; R582-V620 HydrophobicContact CB-CG2 4.48Å; R582-V620 HydrophobicContact CG-CB 4.47Å; R582-V620 HydrophobicContact CG-CG1 4.12Å; R582-V620 HydrophobicContact CG-CG2 3.99Å; I612-V620 VanDerWaalsContact CA-O 3.31Å; I612-V620 WeakPolarHBondContact CA-O 3.37Å; S613-V620 PolarHBondContact N-O 2.96Å; S613-V620 PolarHBondContact O-N 3.27Å
621I89.2Confident82.4Confident0 Ų062.5 Ų62.50%032%0.318CS..EExtended strand (participates in β ladder)trans-102.1139.1-178.2-55.8171.4000110.6L580 V581 L583 I600 F610 D611 I612 L639 V641 V657L580-I621 PolarHBondContact N-O 3.03Å; V581-I621 HydrophobicContact CB-CB 4.29Å; V581-I621 HydrophobicContact CB-CD1 4.26Å; V581-I621 HydrophobicContact CG1-CD1 4.23Å; V581-I621 PolarHBondContact N-O 2.93Å; V581-I621 PolarHBondContact O-N 2.82Å; L583-I621 HydrophobicContact CD2-CD1 4.09Å; I600-I621 HydrophobicContact CD1-CD1 4.36Å; I600-I621 HydrophobicContact CD1-CG1 4.35Å; I600-I621 HydrophobicContact CD1-CG2 4.31Å; F610-I621 HydrophobicContact CD1-CG2 4.27Å; D611-I621 VanDerWaalsContact O-CA 3.32Å; D611-I621 WeakPolarHBondContact O-CA 3.36Å; I612-I621 HydrophobicContact CB-CG1 4.37Å; I612-I621 HydrophobicContact CD1-CG1 4.11Å; I612-I621 HydrophobicContact CG1-CG1 4.21Å; I621-L639 HydrophobicContact CD1-CD1 4.16Å; I621-L639 HydrophobicContact CG2-CD1 3.92Å; I621-V641 HydrophobicContact CD1-CG2 3.93Å; I621-V657 HydrophobicContact CD1-CB 4.22Å; I621-V657 HydrophobicContact CD1-CG1 4.1Å; I621-V657 HydrophobicContact CD1-CG2 4.02Å
622S86.1Confident82Confident27 Ų2757.8 Ų57.819%0.18929%0.292CS..EExtended strand (participates in β ladder)trans-138.5153.7176.6560000113.5T578 F610 D611T578-S622 CarbonylContact O-C 3.49Å; T578-S622 VanDerWaalsContact O-CA 3.31Å; T578-S622 WeakPolarHBondContact O-CA 3.38Å; T578-S622 WeakPolarHBondContact O-CB 3.13Å; F610-S622 VanDerWaalsContact CA-O 3.3Å; F610-S622 WeakPolarHBondContact CA-O 3.37Å; D611-S622 PolarHBondContact N-O 3.3Å; D611-S622 PolarHBondContact O-N 3.04Å
623V85.2Confident81Confident2.66667 Ų2.6666760.5 Ų60.52%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-105144.7172.9107.70000110.6V577 T578 L580 Y609 F610 L627V577-V623 CarbonylContact C-O 3.46Å; V577-V623 VanDerWaalsContact CA-O 3.32Å; V577-V623 WeakPolarHBondContact CA-O 3.49Å; V577-V623 WeakPolarHBondContact CG1-O 3.32Å; T578-V623 PolarHBondContact N-O 3.05Å; T578-V623 PolarHBondContact O-N 3.12Å; L580-V623 HydrophobicContact CD1-CB 3.82Å; L580-V623 HydrophobicContact CD1-CG1 3.65Å; L580-V623 HydrophobicContact CD1-CG2 3.76Å; L580-V623 HydrophobicContact CD2-CG1 4.1Å; L580-V623 HydrophobicContact CD2-CG2 3.84Å; L580-V623 HydrophobicContact CG-CB 4.38Å; L580-V623 HydrophobicContact CG-CG1 3.95Å; L580-V623 HydrophobicContact CG-CG2 4.46Å; Y609-V623 CarbonylContact O-C 3.49Å; Y609-V623 WeakPolarHBondContact O-CA 3.2Å; F610-V623 HydrophobicContact CD1-CB 4.07Å; F610-V623 HydrophobicContact CD1-CG2 4.1Å; F610-V623 HydrophobicContact CE1-CB 3.79Å; F610-V623 HydrophobicContact CE1-CG2 3.78Å; F610-V623 HydrophobicContact CZ-CG2 4.13Å; V623-L627 HydrophobicContact CG2-CD1 4.21Å; V623-L627 HydrophobicContact CG2-CG 4.29Å
624S79.9Confident80.3Confident56 Ų5663.7 Ų63.739%0.39232%0.324SS..  trans-117.2-2.4-17160.10000116.3Y609Y609-S624 WeakPolarHBondContact CA-OG 3.35Å; Y609-S624 WeakPolarHBondContact O-CB 3.45Å; Y609-S624 PolarHBondContact O-N 3.04Å; Y609-S624 PolarHBondContact O-OG 2.93Å
625R78.4Confident80Confident141.667 Ų141.66758.9 Ų58.954%0.53530%0.3SS..SBendtrans-151.4153.4-176.9-64.6-176.8-176.3-159.90.7111.5Y609Y609-R625 HydrophobicContact CD1-CB 3.76Å; Y609-R625 HydrophobicContact CD2-CB 3.56Å; Y609-R625 HydrophobicContact CD2-CG 4.26Å; Y609-R625 HydrophobicContact CE1-CB 3.59Å; Y609-R625 HydrophobicContact CE1-CG 4.46Å; Y609-R625 HydrophobicContact CE2-CB 3.95Å; Y609-R625 HydrophobicContact CE2-CG 4.41Å; Y609-R625 HydrophobicContact CG-CB 4.15Å; Y609-R625 HydrophobicContact CG-CG 4.37Å; Y609-R625 VanDerWaalsContact CZ-CD 3.48Å
626P78Confident80.3Confident67.6667 Ų67.666754.9 Ų54.944%0.43929%0.288SS..  trans-63.4157.2173.826.9-35.6000112.7E574 Y609E574-P626 WeakPolarHBondContact O-CA 3.25Å; E574-P626 WeakPolarHBondContact O-CB 3.15Å; Y609-P626 WeakPolarHBondContact CE2-O 3.21Å
627L82.7Confident80.6Confident7.66667 Ų7.6666747.7 Ų47.74%0.0425%0.254CS..  trans-123160.8-179.7-71.4178.4000110.3L570 E572 N573 F606 Y609 F610 V623 I632 I637 V661L570-L627 HydrophobicContact CD1-CB 4.38Å; L570-L627 HydrophobicContact CD1-CD1 4.1Å; L570-L627 HydrophobicContact CD2-CD1 4.31Å; E572-L627 CarbonylContact C-O 3.49Å; E572-L627 WeakPolarHBondContact CA-O 3.4Å; N573-L627 PolarHBondContact N-O 3.1Å; F606-L627 HydrophobicContact CB-CD2 4.09Å; F606-L627 HydrophobicContact CD1-CD2 4.24Å; F606-L627 HydrophobicContact CD2-CD2 3.86Å; F606-L627 HydrophobicContact CE1-CD2 4.1Å; F606-L627 HydrophobicContact CE2-CD2 4.2Å; F606-L627 HydrophobicContact CG-CD2 3.88Å; F606-L627 HydrophobicContact CZ-CD2 4.04Å; Y609-L627 HydrophobicContact CD1-CD2 4.28Å; Y609-L627 HydrophobicContact CD2-CD2 4.12Å; Y609-L627 HydrophobicContact CE1-CD2 3.94Å; Y609-L627 HydrophobicContact CE2-CD2 4.34Å; F610-L627 HydrophobicContact CZ-CD1 4.33Å; V623-L627 HydrophobicContact CG2-CD1 4.21Å; V623-L627 HydrophobicContact CG2-CG 4.29Å; L627-I632 HydrophobicContact CB-CD1 3.83Å; L627-I632 HydrophobicContact CD1-CD1 4.28Å; L627-I632 HydrophobicContact CD2-CD1 4.19Å; L627-I632 HydrophobicContact CG-CD1 4.31Å; L627-I637 HydrophobicContact CD1-CD1 3.86Å; L627-I637 VanDerWaalsContact CD1-CD1 3.47Å; L627-I637 HydrophobicContact CD2-CD1 3.98Å; L627-I637 HydrophobicContact CG-CD1 4.32Å; L627-V661 HydrophobicContact CB-CG1 4.44Å; L627-V661 HydrophobicContact CD1-CG2 3.89Å
628D80.4Confident81.1Confident51.3333 Ų51.333351.3 Ų51.328%0.27526%0.256SS..  trans-134.4126.7-172.9160.1-40.5000107E630 Q631 I632D628-E630 PolarHBondContact OD1-N 3.2Å; D628-Q631 HydrophobicContact CB-CB 4.27Å; D628-Q631 HydrophobicContact CB-CG 4.45Å; D628-Q631 PolarHBondContact O-N 2.87Å; D628-Q631 WeakPolarHBondContact OD1-CB 3.38Å; D628-Q631 WeakPolarHBondContact OD1-CG 3.37Å; D628-Q631 PolarHBondContact OD1-N 3.22Å; D628-Q631 PolarHBondContact OD1-NE2 2.88Å; D628-Q631 PolarHBondContact OD2-NE2 3.13Å; D628-I632 VanDerWaalsContact O-CD1 3.28Å; D628-I632 WeakPolarHBondContact O-CD1 3.39Å; D628-I632 VanDerWaalsContact O-CG1 3.3Å; D628-I632 WeakPolarHBondContact O-CG1 3.43Å; D628-I632 PolarHBondContact O-N 2.83Å
629Y81.5Confident81.4Confident45 Ų4547.2 Ų47.218%0.17624%0.241CC..SBendtrans-72.4-43.1-168.4-171.9-93.1000112.6E572 Q631 I632 G635 V661 F662 D663 R700 S701E572-Y629 VanDerWaalsContact CD-CB 3.48Å; E572-Y629 WeakPolarHBondContact OE1-CB 3.48Å; E572-Y629 WeakPolarHBondContact OE2-CB 3.38Å; E572-Y629 PolarHBondContact OE2-N 2.82Å; Y629-Q631 VanDerWaalsContact C-N 3.28Å; Y629-Q631 PolarHBondContact O-N 3.16Å; Y629-Q631 VanDerWaalsContact O-N 3.08Å; Y629-I632 CarbonylContact O-C 3.48Å; Y629-I632 PolarHBondContact O-N 2.94Å; Y629-G635 VanDerWaalsContact CD2-CA 3.42Å; Y629-V661 HydrophobicContact CD2-CB 4.3Å; Y629-V661 HydrophobicContact CD2-CG1 4.23Å; Y629-V661 WeakPolarHBondContact CD2-O 3.39Å; Y629-V661 WeakPolarHBondContact CE2-O 3.35Å; Y629-F662 VanDerWaalsContact CD2-C 3.42Å; Y629-F662 WeakPolarHBondContact CD2-O 3.41Å; Y629-D663 HydrophobicContact CD1-CB 3.68Å; Y629-D663 WeakPolarHBondContact CD1-OD1 3.39Å; Y629-D663 HydrophobicContact CD2-CB 4.06Å; Y629-D663 HydrophobicContact CE1-CB 3.8Å; Y629-D663 WeakPolarHBondContact CE1-OD1 3.47Å; Y629-D663 WeakPolarHBondContact CE1-OD2 3.21Å; Y629-D663 HydrophobicContact CE2-CB 4.14Å; Y629-D663 HydrophobicContact CG-CB 3.83Å; Y629-D663 VanDerWaalsContact CZ-CB 3.47Å; Y629-R700 HydrophobicContact CD1-CB 3.91Å; Y629-R700 HydrophobicContact CD1-CG 4.31Å; Y629-R700 HydrophobicContact CE1-CB 3.49Å; Y629-R700 VanDerWaalsContact CE1-CB 3.49Å; Y629-R700 HydrophobicContact CE1-CG 4.19Å; Y629-S701 WeakPolarHBondContact OH-CA 3.45Å
630E78.6Confident81.5Confident55 Ų5549.2 Ų49.226%0.25725%0.253SS..THydrogen-bonded Turntrans-58.2-28.8179.1-87.746.4-107.100112.8D628 I632 L698 R700D628-E630 PolarHBondContact OD1-N 3.2Å; E630-I632 VanDerWaalsContact C-N 3.31Å; E630-L698 HydrophobicContact CG-CB 4.45Å; E630-L698 WeakPolarHBondContact CG-O 3.42Å; E630-R700 PolarHBondContact O-NE 2.92Å; E630-R700 PolarHBondContact O-NH1 3.05Å; E630-R700 PolarHBondContact O-NH2 3.11Å; E630-R700 VanDerWaalsContact O-NH2 3.09Å; E630-R700 WeakPolarHBondContact OE1-CB 3.49Å; E630-R700 WeakPolarHBondContact OE1-CD 3.23Å
631Q77.3Confident81.6Confident132.333 Ų132.33348.7 Ų48.762%0.61825%0.25SC*.THydrogen-bonded Turntrans-88.7-11.8176.9-65.4-175.358.500114.3F606 D628 Y629 P633F606-Q631 HydrophobicContact CE2-CB 4.25Å; F606-Q631 HydrophobicContact CZ-CB 3.72Å; D628-Q631 HydrophobicContact CB-CB 4.27Å; D628-Q631 HydrophobicContact CB-CG 4.45Å; D628-Q631 PolarHBondContact O-N 2.87Å; D628-Q631 WeakPolarHBondContact OD1-CB 3.38Å; D628-Q631 WeakPolarHBondContact OD1-CG 3.37Å; D628-Q631 PolarHBondContact OD1-N 3.22Å; D628-Q631 PolarHBondContact OD1-NE2 2.88Å; D628-Q631 PolarHBondContact OD2-NE2 3.13Å; Y629-Q631 VanDerWaalsContact C-N 3.28Å; Y629-Q631 PolarHBondContact O-N 3.16Å; Y629-Q631 VanDerWaalsContact O-N 3.08Å; Q631-P633 WeakPolarHBondContact O-CD 3.11Å
632I76.7Confident81.8Confident5.33333 Ų5.3333350.5 Ų50.53%0.02726%0.259CS..SBendtrans-100115.1-178.4-64.9165.2000110.6F606 L627 D628 Y629 E630 N634 G635 I637 V661F606-I632 HydrophobicContact CD2-CG1 4.21Å; F606-I632 HydrophobicContact CE2-CD1 4.29Å; F606-I632 HydrophobicContact CE2-CG1 3.8Å; F606-I632 HydrophobicContact CZ-CD1 4.36Å; F606-I632 HydrophobicContact CZ-CG1 4.34Å; L627-I632 HydrophobicContact CB-CD1 3.83Å; L627-I632 HydrophobicContact CD1-CD1 4.28Å; L627-I632 HydrophobicContact CD2-CD1 4.19Å; L627-I632 HydrophobicContact CG-CD1 4.31Å; D628-I632 VanDerWaalsContact O-CD1 3.28Å; D628-I632 WeakPolarHBondContact O-CD1 3.39Å; D628-I632 VanDerWaalsContact O-CG1 3.3Å; D628-I632 WeakPolarHBondContact O-CG1 3.43Å; D628-I632 PolarHBondContact O-N 2.83Å; Y629-I632 CarbonylContact O-C 3.48Å; Y629-I632 PolarHBondContact O-N 2.94Å; E630-I632 VanDerWaalsContact C-N 3.31Å; I632-N634 PolarHBondContact O-N 3.1Å; I632-G635 VanDerWaalsContact CG2-C 3.49Å; I632-G635 PolarHBondContact O-N 3.07Å; I632-I637 HydrophobicContact CD1-CD1 4.13Å; I632-I637 HydrophobicContact CD1-CG1 4.28Å; I632-I637 HydrophobicContact CG1-CD1 4.09Å; I632-I637 HydrophobicContact CG1-CG1 4.32Å; I632-I637 HydrophobicContact CG2-CD1 4.45Å; I632-I637 HydrophobicContact CG2-CG1 3.89Å; I632-V661 HydrophobicContact CD1-CB 4.13Å; I632-V661 HydrophobicContact CD1-CG1 4.09Å; I632-V661 HydrophobicContact CD1-CG2 4.1Å
633P70Confident82Confident89.6667 Ų89.666749.2 Ų49.258%0.58225%0.25SC*.G310 helixtrans-57.3112.6175.9-25.235.5000111.9Q631 G635 L636Q631-P633 WeakPolarHBondContact O-CD 3.11Å; P633-G635 VanDerWaalsContact C-N 3.31Å; P633-G635 PolarHBondContact O-N 3.06Å; P633-G635 VanDerWaalsContact O-N 3.16Å; P633-L636 PolarHBondContact O-N 3.31Å
634N70.1Confident82.2Confident131 Ų13152.6 Ų52.670%0.70126%0.264SS*.G310 helixtrans60.718.1179.6-46.3-28.7000115.4I632 L636I632-N634 PolarHBondContact O-N 3.1Å; N634-L636 VanDerWaalsContact C-N 3.34Å; N634-L636 WeakPolarHBondContact O-CG 3.4Å; N634-L636 PolarHBondContact O-N 3.19Å
635G77.3Confident82.7Confident1.66667 Ų1.6666750.3 Ų50.32%0.01725%0.247CC..G310 helixtrans67.95.5179.900000116.6Y629 I632 P633 E660 V661Y629-G635 VanDerWaalsContact CD2-CA 3.42Å; I632-G635 VanDerWaalsContact CG2-C 3.49Å; I632-G635 PolarHBondContact O-N 3.07Å; P633-G635 VanDerWaalsContact C-N 3.31Å; P633-G635 PolarHBondContact O-N 3.06Å; P633-G635 VanDerWaalsContact O-N 3.16Å; G635-E660 CarbonylContact O-C 3.57Å; G635-E660 WeakPolarHBondContact O-CA 3.46Å; G635-V661 WeakPolarHBondContact O-CA 3.11Å; G635-V661 WeakPolarHBondContact O-CB 3.5Å; G635-V661 WeakPolarHBondContact O-CG2 3.45Å; G635-V661 PolarHBondContact O-N 3.16Å; G635-V661 VanDerWaalsContact O-O 3.11Å
636L82.9Confident83Confident52.3333 Ų52.333346 Ų4627%0.27424%0.242SC..EExtended strand (participates in β ladder)trans-116.1127.5-170.8-65.9175.6000112.7S604 P633 N634 Y638 T658 I659 E660S604-L636 PolarHBondContact OG-O 2.85Å; P633-L636 PolarHBondContact O-N 3.31Å; N634-L636 VanDerWaalsContact C-N 3.34Å; N634-L636 WeakPolarHBondContact O-CG 3.4Å; N634-L636 PolarHBondContact O-N 3.19Å; L636-Y638 HydrophobicContact CB-CD2 4.31Å; L636-Y638 HydrophobicContact CB-CE1 3.99Å; L636-Y638 HydrophobicContact CB-CE2 3.78Å; L636-Y638 VanDerWaalsContact CB-CZ 3.44Å; L636-Y638 HydrophobicContact CD1-CE1 4.2Å; L636-Y638 WeakPolarHBondContact CD1-OH 3.46Å; L636-Y638 WeakPolarHBondContact O-CD2 3.3Å; L636-T658 HydrophobicContact CB-CG2 4.47Å; L636-T658 HydrophobicContact CD2-CG2 4.04Å; L636-I659 WeakPolarHBondContact CA-O 3.26Å; L636-I659 WeakPolarHBondContact CD2-O 2.92Å; L636-E660 HydrophobicContact CD2-CB 4.06Å; L636-E660 HydrophobicContact CD2-CG 4.14Å
637I84.8Confident83.1Confident0.666667 Ų0.66666743.2 Ų43.20%0.00323%0.226CC..EExtended strand (participates in β ladder)trans-113123.8172.6-52.4175.1000109.2S604 A605 F606 F610 L627 I632 L639 T658 I659S604-I637 WeakPolarHBondContact OG-CA 3.07Å; A605-I637 HydrophobicContact CB-CG1 4.42Å; A605-I637 HydrophobicContact CB-CG2 4.16Å; A605-I637 WeakPolarHBondContact O-CG2 3.37Å; F606-I637 HydrophobicContact CD2-CD1 3.91Å; F610-I637 HydrophobicContact CE2-CD1 4.17Å; F610-I637 HydrophobicContact CE2-CG2 3.84Å; F610-I637 HydrophobicContact CZ-CB 4.37Å; F610-I637 HydrophobicContact CZ-CD1 3.87Å; F610-I637 HydrophobicContact CZ-CG2 3.91Å; L627-I637 HydrophobicContact CD1-CD1 3.86Å; L627-I637 VanDerWaalsContact CD1-CD1 3.47Å; L627-I637 HydrophobicContact CD2-CD1 3.98Å; L627-I637 HydrophobicContact CG-CD1 4.32Å; I632-I637 HydrophobicContact CD1-CD1 4.13Å; I632-I637 HydrophobicContact CD1-CG1 4.28Å; I632-I637 HydrophobicContact CG1-CD1 4.09Å; I632-I637 HydrophobicContact CG1-CG1 4.32Å; I632-I637 HydrophobicContact CG2-CD1 4.45Å; I632-I637 HydrophobicContact CG2-CG1 3.89Å; I637-L639 HydrophobicContact CG2-CD2 4Å; I637-T658 CarbonylContact O-C 3.48Å; I637-T658 WeakPolarHBondContact O-CA 3.23Å; I637-I659 HydrophobicContact CB-CB 4.2Å; I637-I659 HydrophobicContact CB-CG1 4.44Å; I637-I659 PolarHBondContact N-O 3.05Å; I637-I659 VanDerWaalsContact O-CB 3.32Å; I637-I659 WeakPolarHBondContact O-CB 3.28Å; I637-I659 PolarHBondContact O-N 3.03Å
638Y86.1Confident82.7Confident112.667 Ų112.66748.6 Ų48.644%0.44225%0.254SS..EExtended strand (participates in β ladder)trans-103.1125.8179.4-54.9-84.3000110.5A603 S604 L636 V657 T658A603-Y638 CarbonylContact C-O 3.42Å; A603-Y638 WeakPolarHBondContact CA-O 3.32Å; S604-Y638 PolarHBondContact N-O 3.02Å; S604-Y638 PolarHBondContact OG-N 3.06Å; L636-Y638 HydrophobicContact CB-CD2 4.31Å; L636-Y638 HydrophobicContact CB-CE1 3.99Å; L636-Y638 HydrophobicContact CB-CE2 3.78Å; L636-Y638 VanDerWaalsContact CB-CZ 3.44Å; L636-Y638 HydrophobicContact CD1-CE1 4.2Å; L636-Y638 WeakPolarHBondContact CD1-OH 3.46Å; L636-Y638 WeakPolarHBondContact O-CD2 3.3Å; Y638-V657 CarbonylContact C-O 3.36Å; Y638-V657 WeakPolarHBondContact CA-O 2.98Å; Y638-T658 HydrophobicContact CD1-CG2 4.13Å; Y638-T658 WeakPolarHBondContact CD1-OG1 3.37Å; Y638-T658 HydrophobicContact CE1-CG2 3.97Å
639L89.1Confident82.7Confident1.33333 Ų1.3333350.6 Ų50.61%0.00727%0.271CS..EExtended strand (participates in β ladder)trans-109.4152.1171.3-43.4173.4000109.8N602 A603 F610 I621 I637 V657 I659N602-L639 CarbonylContact O-C 3.59Å; N602-L639 VanDerWaalsContact O-CA 3.28Å; N602-L639 WeakPolarHBondContact O-CA 3.39Å; A603-L639 HydrophobicContact CB-CD2 3.46Å; A603-L639 VanDerWaalsContact CB-CD2 3.46Å; F610-L639 HydrophobicContact CB-CD1 4.3Å; F610-L639 HydrophobicContact CB-CD2 4.28Å; F610-L639 HydrophobicContact CD1-CD1 3.88Å; F610-L639 HydrophobicContact CD1-CD2 4.31Å; F610-L639 HydrophobicContact CD2-CD2 3.9Å; F610-L639 HydrophobicContact CE1-CD1 4.27Å; F610-L639 HydrophobicContact CE1-CD2 4.48Å; F610-L639 HydrophobicContact CE2-CD2 4.15Å; F610-L639 HydrophobicContact CG-CD1 4.21Å; F610-L639 HydrophobicContact CG-CD2 3.99Å; F610-L639 HydrophobicContact CZ-CD2 4.41Å; I621-L639 HydrophobicContact CD1-CD1 4.16Å; I621-L639 HydrophobicContact CG2-CD1 3.92Å; I637-L639 HydrophobicContact CG2-CD2 4Å; L639-V657 HydrophobicContact CB-CB 4.19Å; L639-V657 HydrophobicContact CD1-CB 4.42Å; L639-V657 PolarHBondContact N-O 3.15Å; L639-V657 PolarHBondContact O-N 2.98Å; L639-I659 HydrophobicContact CD1-CD1 4.36Å; L639-I659 HydrophobicContact CD1-CG1 3.95Å; L639-I659 HydrophobicContact CG-CG1 4.22Å
640T89.3Confident82.7Confident41.3333 Ų41.333350.6 Ų50.625%0.25428%0.276SS..EExtended strand (participates in β ladder)trans-121.6121171.9-50.70000109.1I600 V601 N602 T654I600-T640 CarbonylContact C-O 3.56Å; I600-T640 WeakPolarHBondContact CA-O 3.33Å; V601-T640 PolarHBondContact N-O 3.24Å; N602-T640 PolarHBondContact O-N 3.17Å; N602-T640 VanDerWaalsContact O-N 3.15Å; T640-T654 HydrophobicContact CG2-CG2 3.79Å
641V90.7Very high83.1Confident0 Ų050.2 Ų50.20%028%0.275CS..EExtended strand (participates in β ladder)trans-110.7132.2-178.7179.80000110.1F561 L583 S599 I600 I612 I621 T654 V655 V657F561-V641 HydrophobicContact CZ-CG1 4.27Å; L583-V641 HydrophobicContact CD1-CG1 3.88Å; L583-V641 HydrophobicContact CD2-CB 4.2Å; L583-V641 HydrophobicContact CD2-CG1 3.89Å; L583-V641 HydrophobicContact CD2-CG2 4.14Å; S599-V641 CarbonylContact O-C 3.57Å; S599-V641 VanDerWaalsContact O-CA 3.26Å; S599-V641 WeakPolarHBondContact O-CA 3.37Å; S599-V641 WeakPolarHBondContact O-CG1 3.27Å; I600-V641 HydrophobicContact CG1-CG2 3.94Å; I612-V641 HydrophobicContact CD1-CB 4.49Å; I612-V641 HydrophobicContact CD1-CG1 3.81Å; I612-V641 HydrophobicContact CD1-CG2 4.29Å; I621-V641 HydrophobicContact CD1-CG2 3.93Å; V641-T654 CarbonylContact O-C 3.55Å; V641-T654 VanDerWaalsContact O-CA 3.25Å; V641-T654 WeakPolarHBondContact O-CA 3.3Å; V641-T654 WeakPolarHBondContact O-CB 3.46Å; V641-V655 HydrophobicContact CB-CG1 4.08Å; V641-V655 PolarHBondContact N-O 3.05Å; V641-V655 VanDerWaalsContact N-O 3.09Å; V641-V655 PolarHBondContact O-N 2.9Å; V641-V657 HydrophobicContact CB-CG2 4.37Å; V641-V657 HydrophobicContact CG2-CG2 3.93Å
642M91.9Very high83.7Confident38.3333 Ų38.333350.7 Ų50.719%0.18927%0.272CS..EExtended strand (participates in β ladder)trans-102.1138.4176.4-177.2177.567.800110.8Y598 S599 V601 K644 Y652 S653 T654Y598-M642 VanDerWaalsContact CA-O 3.25Å; Y598-M642 WeakPolarHBondContact CA-O 3.33Å; S599-M642 PolarHBondContact N-O 3.07Å; S599-M642 VanDerWaalsContact N-O 3.15Å; S599-M642 PolarHBondContact O-N 2.94Å; V601-M642 HydrophobicContact CG2-CB 3.6Å; V601-M642 HydrophobicContact CG2-CE 4.19Å; V601-M642 HydrophobicContact CG2-CG 4.41Å; V601-M642 HydrophobicContact CG2-SD 4.27Å; M642-K644 HydrophobicContact CE-CB 4.04Å; M642-K644 HydrophobicContact CE-CD 4.3Å; M642-K644 HydrophobicContact CG-CB 4.03Å; M642-K644 HydrophobicContact SD-CB 4.07Å; M642-K644 HydrophobicContact SD-CD 4.29Å; M642-Y652 HydrophobicContact CG-CD2 4.17Å; M642-Y652 HydrophobicContact CG-CG 4.21Å; M642-Y652 HydrophobicContact SD-CD2 3.89Å; M642-Y652 HydrophobicContact SD-CE2 4.42Å; M642-Y652 HydrophobicContact SD-CG 4.02Å; M642-S653 CarbonylContact C-O 3.51Å; M642-S653 VanDerWaalsContact CA-O 3.25Å; M642-S653 WeakPolarHBondContact CA-O 3.29Å; M642-S653 VanDerWaalsContact CG-O 3.31Å; M642-S653 WeakPolarHBondContact CG-O 3.36Å; M642-T654 HydrophobicContact CB-CG2 4.07Å; M642-T654 HydrophobicContact CG-CG2 4.09Å
643A90.4Very high84.4Confident0 Ų051.7 Ų51.70%028%0.28CS..EExtended strand (participates in β ladder)trans-108.2123.9158.800000107.6P559 F561 A585 I596 T597 Y598 Y652 S653P559-A643 HydrophobicContact CB-CB 4.07Å; F561-A643 HydrophobicContact CD1-CB 4.48Å; F561-A643 HydrophobicContact CD2-CB 4.31Å; F561-A643 HydrophobicContact CE1-CB 3.86Å; F561-A643 HydrophobicContact CE2-CB 3.52Å; F561-A643 VanDerWaalsContact CE2-CB 3.49Å; F561-A643 HydrophobicContact CZ-CB 3.27Å; A585-A643 HydrophobicContact CB-CB 3.9Å; I596-A643 HydrophobicContact CG2-CB 3.84Å; T597-A643 CarbonylContact O-C 3.49Å; T597-A643 VanDerWaalsContact O-CA 3.3Å; T597-A643 WeakPolarHBondContact O-CA 3.23Å; Y598-A643 HydrophobicContact CD1-CB 3.92Å; Y598-A643 HydrophobicContact CE1-CB 3.85Å; A643-Y652 CarbonylContact O-C 3.54Å; A643-Y652 VanDerWaalsContact O-CA 3.28Å; A643-Y652 WeakPolarHBondContact O-CA 3.4Å; A643-Y652 VanDerWaalsContact O-CB 3.24Å; A643-Y652 WeakPolarHBondContact O-CB 3.16Å; A643-S653 PolarHBondContact N-O 2.88Å; A643-S653 PolarHBondContact O-N 2.78Å
644K89.9Confident85.3Confident74 Ų7451 Ų5132%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-127.7134.2-177.3176.4178.6178.3-173.70110.7I596 T597 M642 P650 L651I596-K644 CarbonylContact C-O 3.56Å; I596-K644 VanDerWaalsContact CA-O 3.25Å; I596-K644 WeakPolarHBondContact CA-O 3.35Å; T597-K644 PolarHBondContact N-O 2.81Å; T597-K644 PolarHBondContact O-N 2.84Å; T597-K644 PolarHBondContact OG1-O 3.01Å; T597-K644 VanDerWaalsContact OG1-O 3.12Å; M642-K644 HydrophobicContact CE-CB 4.04Å; M642-K644 HydrophobicContact CE-CD 4.3Å; M642-K644 HydrophobicContact CG-CB 4.03Å; M642-K644 HydrophobicContact SD-CB 4.07Å; M642-K644 HydrophobicContact SD-CD 4.29Å; K644-P650 VanDerWaalsContact CE-CB 3.42Å; K644-P650 HydrophobicContact CG-CB 4.39Å; K644-P650 VanDerWaalsContact NZ-CG 3.35Å; K644-L651 WeakPolarHBondContact CG-O 3.46Å
645D90.1Very high86.3Confident6.33333 Ų6.3333345 Ų453%0.03424%0.242CC..  trans-73.3-170.4178.477.514.9000113.5N555 P559 N593 L595 G647 P650 L651N555-D645 PolarHBondContact ND2-OD2 3.37Å; N555-D645 PolarHBondContact OD1-OD2 2.83Å; P559-D645 HydrophobicContact CG-CB 3.61Å; N593-D645 WeakPolarHBondContact O-CB 3.17Å; L595-D645 CarbonylContact O-C 3.54Å; L595-D645 VanDerWaalsContact O-C 3.26Å; L595-D645 WeakPolarHBondContact O-CA 3.39Å; D645-G647 VanDerWaalsContact CG-N 3.26Å; D645-G647 WeakPolarHBondContact OD1-CA 3.24Å; D645-G647 PolarHBondContact OD1-N 3.04Å; D645-G647 PolarHBondContact OD2-N 3.1Å; D645-P650 WeakPolarHBondContact OD1-CA 3.38Å; D645-P650 WeakPolarHBondContact OD1-CB 3.38Å; D645-L651 WeakPolarHBondContact CB-O 3.3Å; D645-L651 VanDerWaalsContact CG-N 3.27Å; D645-L651 VanDerWaalsContact CG-O 3.22Å; D645-L651 PolarHBondContact N-O 3.14Å; D645-L651 PolarHBondContact OD1-N 2.9Å; D645-L651 VanDerWaalsContact OD1-N 3.07Å; D645-L651 VanDerWaalsContact OD1-O 3.06Å; D645-L651 WeakPolarHBondContact OD2-CA 3.41Å; D645-L651 VanDerWaalsContact OD2-CB 3.22Å; D645-L651 WeakPolarHBondContact OD2-CB 3.36Å; D645-L651 PolarHBondContact OD2-N 2.99Å
646A84.9Confident86.9Confident52 Ų5247.9 Ų47.943%0.4326%0.261SS..SBendtrans-116.921.7170.400000113.9P592 N593 L595P592-A646 CarbonylContact O-C 3.5Å; P592-A646 WeakPolarHBondContact O-CB 3.21Å; N593-A646 PolarHBondContact O-N 3.03Å; L595-A646 HydrophobicContact CB-CB 3.76Å; L595-A646 PolarHBondContact O-N 2.89Å; L595-A646 VanDerWaalsContact O-N 3.15Å
647G80.3Confident87.1Confident9 Ų945.4 Ų45.49%0.09325%0.248CC..  trans-70.1-179.7178.900000115N555 N593 D645 P650N555-G647 WeakPolarHBondContact ND2-CA 3.27Å; N555-G647 WeakPolarHBondContact OD1-CA 3.43Å; N593-G647 WeakPolarHBondContact OD1-CA 3.45Å; D645-G647 VanDerWaalsContact CG-N 3.26Å; D645-G647 WeakPolarHBondContact OD1-CA 3.24Å; D645-G647 PolarHBondContact OD1-N 3.04Å; D645-G647 PolarHBondContact OD2-N 3.1Å; G647-P650 VanDerWaalsContact O-CA 3.24Å; G647-P650 WeakPolarHBondContact O-CA 3.33Å; G647-P650 VanDerWaalsContact O-CB 3.3Å; G647-P650 WeakPolarHBondContact O-CB 3.39Å; G647-P650 WeakPolarHBondContact O-CD 3.33Å
648N74.4Confident87.1Confident120.333 Ų120.33347 Ų4764%0.64326%0.258SS*.SBendtrans-148.2100.4175-16913.3000113.2S1355 Q1357N648-S1355 WeakPolarHBondContact ND2-CB 3.4Å; N648-S1355 PolarHBondContact ND2-OG 2.92Å; N648-S1355 VanDerWaalsContact ND2-OG 3.09Å; N648-Q1357 PolarHBondContact ND2-OE1 3.38Å; N648-Q1357 PolarHBondContact OD1-NE2 3.27Å; N648-Q1357 PolarHBondContact OD1-OE1 3.35Å
649P79.5Confident87.1Confident94.6667 Ų94.666741.7 Ų41.762%0.61524%0.237SC*.SBendcis-67.6142.23.630.1-35.8000111.7N555 L651N555-P649 PolarHBondContact ND2-O 3.1Å; P649-L651 PolarHBondContact O-N 3.09Å
650P83Confident86.7Confident43.6667 Ų43.666745.1 Ų45.128%0.28425%0.253SS..PPolyproline II helixtrans-76.7131.4-18029.6-34000111.4K644 D645 G647K644-P650 VanDerWaalsContact CE-CB 3.42Å; K644-P650 HydrophobicContact CG-CB 4.39Å; K644-P650 VanDerWaalsContact NZ-CG 3.35Å; D645-P650 WeakPolarHBondContact OD1-CA 3.38Å; D645-P650 WeakPolarHBondContact OD1-CB 3.38Å; G647-P650 VanDerWaalsContact O-CA 3.24Å; G647-P650 WeakPolarHBondContact O-CA 3.33Å; G647-P650 VanDerWaalsContact O-CB 3.3Å; G647-P650 WeakPolarHBondContact O-CB 3.39Å; G647-P650 WeakPolarHBondContact O-CD 3.33Å
651L86.7Confident86.3Confident47.6667 Ų47.666743.4 Ų43.425%0.2524%0.242CC..PPolyproline II helixtrans-91155176.9-61.3179000110.4N555 N557 V558 K644 D645 P649N555-L651 HydrophobicContact CB-CD1 4.4Å; N555-L651 HydrophobicContact CB-CG 4.45Å; N555-L651 PolarHBondContact ND2-N 3.31Å; N555-L651 WeakPolarHBondContact O-CD1 3.33Å; N557-L651 WeakPolarHBondContact O-CD1 3.18Å; V558-L651 HydrophobicContact CB-CB 4.5Å; V558-L651 HydrophobicContact CB-CD1 4.35Å; V558-L651 HydrophobicContact CG1-CB 4.01Å; V558-L651 HydrophobicContact CG1-CD1 3.75Å; V558-L651 HydrophobicContact CG1-CD2 4.2Å; V558-L651 HydrophobicContact CG1-CG 4.31Å; K644-L651 WeakPolarHBondContact CG-O 3.46Å; D645-L651 WeakPolarHBondContact CB-O 3.3Å; D645-L651 VanDerWaalsContact CG-N 3.27Å; D645-L651 VanDerWaalsContact CG-O 3.22Å; D645-L651 PolarHBondContact N-O 3.14Å; D645-L651 PolarHBondContact OD1-N 2.9Å; D645-L651 VanDerWaalsContact OD1-N 3.07Å; D645-L651 VanDerWaalsContact OD1-O 3.06Å; D645-L651 WeakPolarHBondContact OD2-CA 3.41Å; D645-L651 VanDerWaalsContact OD2-CB 3.22Å; D645-L651 WeakPolarHBondContact OD2-CB 3.36Å; D645-L651 PolarHBondContact OD2-N 2.99Å; P649-L651 PolarHBondContact O-N 3.09Å
652Y90.2Very high85.6Confident141.667 Ų141.66747.2 Ų47.256%0.55626%0.259SS*.EExtended strand (participates in β ladder)trans-155.5149.7-177.161.4-87.3000111.1M642 A643 T654M642-Y652 HydrophobicContact CG-CD2 4.17Å; M642-Y652 HydrophobicContact CG-CG 4.21Å; M642-Y652 HydrophobicContact SD-CD2 3.89Å; M642-Y652 HydrophobicContact SD-CE2 4.42Å; M642-Y652 HydrophobicContact SD-CG 4.02Å; A643-Y652 CarbonylContact O-C 3.54Å; A643-Y652 VanDerWaalsContact O-CA 3.28Å; A643-Y652 WeakPolarHBondContact O-CA 3.4Å; A643-Y652 VanDerWaalsContact O-CB 3.24Å; A643-Y652 WeakPolarHBondContact O-CB 3.16Å; Y652-T654 HydrophobicContact CD2-CG2 3.92Å; Y652-T654 HydrophobicContact CE2-CG2 4.07Å
653S89.7Confident84.8Confident26.6667 Ų26.666746.4 Ų46.419%0.18626%0.255CS..EExtended strand (participates in β ladder)trans-118.1160.7165.7680000110.3P559 F561 M642 A643P559-S653 VanDerWaalsContact O-CB 3.29Å; P559-S653 WeakPolarHBondContact O-CB 3.34Å; P559-S653 PolarHBondContact O-OG 3.14Å; F561-S653 WeakPolarHBondContact CD2-OG 3.17Å; F561-S653 WeakPolarHBondContact CE2-OG 3.49Å; M642-S653 CarbonylContact C-O 3.51Å; M642-S653 VanDerWaalsContact CA-O 3.25Å; M642-S653 WeakPolarHBondContact CA-O 3.29Å; M642-S653 VanDerWaalsContact CG-O 3.31Å; M642-S653 WeakPolarHBondContact CG-O 3.36Å; A643-S653 PolarHBondContact N-O 2.88Å; A643-S653 PolarHBondContact O-N 2.78Å
654T90.7Very high84Confident76 Ų7651.1 Ų51.147%0.46628%0.277SS..EExtended strand (participates in β ladder)trans-127136.6172.955.10000111.1T640 V641 M642 Y652T640-T654 HydrophobicContact CG2-CG2 3.79Å; V641-T654 CarbonylContact O-C 3.55Å; V641-T654 VanDerWaalsContact O-CA 3.25Å; V641-T654 WeakPolarHBondContact O-CA 3.3Å; V641-T654 WeakPolarHBondContact O-CB 3.46Å; M642-T654 HydrophobicContact CB-CG2 4.07Å; M642-T654 HydrophobicContact CG-CG2 4.09Å; Y652-T654 HydrophobicContact CD2-CG2 3.92Å; Y652-T654 HydrophobicContact CE2-CG2 4.07Å
655V90.3Very high83.4Confident4 Ų449.2 Ų49.22%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-114.1134.6173.4690000111F561 K563 D564 A565 Y566 L583 V641 V657F561-V655 HydrophobicContact CB-CB 4.45Å; F561-V655 HydrophobicContact CD1-CB 4.5Å; F561-V655 HydrophobicContact CD1-CG1 4.12Å; F561-V655 HydrophobicContact CD2-CB 3.84Å; F561-V655 VanDerWaalsContact CD2-CB 3.45Å; F561-V655 HydrophobicContact CD2-CG1 4.05Å; F561-V655 HydrophobicContact CE1-CG1 3.88Å; F561-V655 HydrophobicContact CE2-CB 3.93Å; F561-V655 HydrophobicContact CE2-CG1 3.78Å; F561-V655 HydrophobicContact CG-CB 4.17Å; F561-V655 HydrophobicContact CG-CG1 4.19Å; F561-V655 HydrophobicContact CZ-CB 4.34Å; F561-V655 HydrophobicContact CZ-CG1 3.68Å; K563-V655 WeakPolarHBondContact O-CG2 3.34Å; D564-V655 WeakPolarHBondContact O-CG2 3.05Å; A565-V655 VanDerWaalsContact CA-CG2 3.49Å; Y566-V655 HydrophobicContact CD2-CB 4.15Å; Y566-V655 HydrophobicContact CD2-CG1 3.73Å; Y566-V655 HydrophobicContact CD2-CG2 3.71Å; Y566-V655 VanDerWaalsContact CD2-CG2 3.41Å; Y566-V655 HydrophobicContact CE2-CB 4.19Å; Y566-V655 HydrophobicContact CE2-CG1 4.09Å; Y566-V655 HydrophobicContact CE2-CG2 3.83Å; L583-V655 HydrophobicContact CD2-CG1 4.02Å; V641-V655 HydrophobicContact CB-CG1 4.08Å; V641-V655 PolarHBondContact N-O 3.05Å; V641-V655 VanDerWaalsContact N-O 3.09Å; V641-V655 PolarHBondContact O-N 2.9Å; V655-V657 HydrophobicContact CG1-CG2 4.22Å; V655-V657 PolarHBondContact O-N 2.79Å
656P89.3Confident82.7Confident63.3333 Ų63.333353.8 Ų53.841%0.41130%0.296SS..EExtended strand (participates in β ladder)trans-75.6141.4170.931-34.9000111.7D564 A565 Y566D564-P656 VanDerWaalsContact O-CD 3.29Å; D564-P656 WeakPolarHBondContact O-CD 3.35Å; A565-P656 HydrophobicContact CB-CG 4.21Å; Y566-P656 PolarHBondContact N-O 3.12Å; Y566-P656 VanDerWaalsContact N-O 3.13Å
657V87.2Confident82.2Confident0.666667 Ų0.66666752.9 Ų52.90%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-125.5122.3172.6-171.10000109.5Y566 V581 L583 I621 Y638 L639 V641 V655 I659Y566-V657 HydrophobicContact CD2-CG2 4.49Å; Y566-V657 CarbonylContact O-C 3.55Å; Y566-V657 VanDerWaalsContact O-CA 3.26Å; Y566-V657 WeakPolarHBondContact O-CA 3.37Å; V581-V657 HydrophobicContact CB-CG1 4.38Å; V581-V657 HydrophobicContact CG1-CG1 4.31Å; V581-V657 HydrophobicContact CG2-CG1 3.85Å; L583-V657 HydrophobicContact CD2-CG2 4.06Å; I621-V657 HydrophobicContact CD1-CB 4.22Å; I621-V657 HydrophobicContact CD1-CG1 4.1Å; I621-V657 HydrophobicContact CD1-CG2 4.02Å; Y638-V657 CarbonylContact C-O 3.36Å; Y638-V657 WeakPolarHBondContact CA-O 2.98Å; L639-V657 HydrophobicContact CB-CB 4.19Å; L639-V657 HydrophobicContact CD1-CB 4.42Å; L639-V657 PolarHBondContact N-O 3.15Å; L639-V657 PolarHBondContact O-N 2.98Å; V641-V657 HydrophobicContact CB-CG2 4.37Å; V641-V657 HydrophobicContact CG2-CG2 3.93Å; V655-V657 HydrophobicContact CG1-CG2 4.22Å; V655-V657 PolarHBondContact O-N 2.79Å; V657-I659 HydrophobicContact CG1-CD1 4.17Å
658T85.8Confident82.1Confident34.3333 Ų34.333355.6 Ų55.621%0.21130%0.3CS..EExtended strand (participates in β ladder)trans-104.4132.9178.9-560000110.6Y566 V567 G568 L636 I637 Y638Y566-T658 PolarHBondContact O-N 3.11Å; Y566-T658 VanDerWaalsContact O-N 3.15Å; V567-T658 CarbonylContact C-O 3.48Å; V567-T658 VanDerWaalsContact CA-O 3.29Å; V567-T658 WeakPolarHBondContact CA-O 3.16Å; G568-T658 PolarHBondContact N-O 3.09Å; G568-T658 VanDerWaalsContact O-O 3.08Å; L636-T658 HydrophobicContact CB-CG2 4.47Å; L636-T658 HydrophobicContact CD2-CG2 4.04Å; I637-T658 CarbonylContact O-C 3.48Å; I637-T658 WeakPolarHBondContact O-CA 3.23Å; Y638-T658 HydrophobicContact CD1-CG2 4.13Å; Y638-T658 WeakPolarHBondContact CD1-OG1 3.37Å; Y638-T658 HydrophobicContact CE1-CG2 3.97Å
659I84.6Confident82.5Confident0.333333 Ų0.33333350.2 Ų50.20%0.00227%0.271CS..EExtended strand (participates in β ladder)trans-113.5122.2175.7-47.9-58.4000109.2G568 L570 L580 F610 L636 I637 L639 V657 V661G568-I659 CarbonylContact O-C 3.57Å; G568-I659 VanDerWaalsContact O-CA 3.29Å; G568-I659 WeakPolarHBondContact O-CA 3.36Å; L570-I659 HydrophobicContact CD2-CG2 3.61Å; L580-I659 HydrophobicContact CB-CD1 4.31Å; L580-I659 HydrophobicContact CD1-CD1 3.77Å; L580-I659 HydrophobicContact CD1-CG1 4.27Å; L580-I659 HydrophobicContact CD1-CG2 4.42Å; L580-I659 HydrophobicContact CD2-CD1 3.69Å; L580-I659 HydrophobicContact CD2-CG1 4.49Å; L580-I659 HydrophobicContact CD2-CG2 3.58Å; L580-I659 HydrophobicContact CG-CD1 4.5Å; F610-I659 HydrophobicContact CE1-CD1 4.24Å; F610-I659 HydrophobicContact CE1-CG1 3.98Å; F610-I659 HydrophobicContact CE1-CG2 4.39Å; F610-I659 HydrophobicContact CZ-CG1 4.31Å; L636-I659 WeakPolarHBondContact CA-O 3.26Å; L636-I659 WeakPolarHBondContact CD2-O 2.92Å; I637-I659 HydrophobicContact CB-CB 4.2Å; I637-I659 HydrophobicContact CB-CG1 4.44Å; I637-I659 PolarHBondContact N-O 3.05Å; I637-I659 VanDerWaalsContact O-CB 3.32Å; I637-I659 WeakPolarHBondContact O-CB 3.28Å; I637-I659 PolarHBondContact O-N 3.03Å; L639-I659 HydrophobicContact CD1-CD1 4.36Å; L639-I659 HydrophobicContact CD1-CG1 3.95Å; L639-I659 HydrophobicContact CG-CG1 4.22Å; V657-I659 HydrophobicContact CG1-CD1 4.17Å; I659-V661 PolarHBondContact O-N 2.77Å
660E81.2Confident82.4Confident73.6667 Ų73.666749.7 Ų49.734%0.34427%0.266SS..EExtended strand (participates in β ladder)trans-100.3135.6179.9-172173.8-150.200111.5G568 A569 L570 G635 L636 F662G568-E660 PolarHBondContact O-N 3.05Å; A569-E660 WeakPolarHBondContact CA-O 3.39Å; A569-E660 HydrophobicContact CB-CB 4.04Å; L570-E660 PolarHBondContact N-O 3.16Å; G635-E660 CarbonylContact O-C 3.57Å; G635-E660 WeakPolarHBondContact O-CA 3.46Å; L636-E660 HydrophobicContact CD2-CB 4.06Å; L636-E660 HydrophobicContact CD2-CG 4.14Å; E660-F662 HydrophobicContact CB-CE2 4.45Å; E660-F662 HydrophobicContact CB-CZ 4.38Å; E660-F662 HydrophobicContact CG-CD1 4.3Å; E660-F662 HydrophobicContact CG-CD2 4.47Å; E660-F662 HydrophobicContact CG-CE1 3.98Å; E660-F662 HydrophobicContact CG-CE2 3.95Å; E660-F662 HydrophobicContact CG-CZ 3.83Å; E660-F662 VanDerWaalsContact OE1-CE1 3.27Å; E660-F662 WeakPolarHBondContact OE1-CE1 3.28Å; E660-F662 WeakPolarHBondContact OE2-CZ 3.24Å
661V81.2Confident82.4Confident4 Ų449.5 Ų49.52%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-123.1141.3176.8-168.60000110L570 E572 L627 Y629 I632 G635 I659L570-V661 HydrophobicContact CD2-CG2 4.03Å; L570-V661 HydrophobicContact CG-CG2 4.36Å; L570-V661 WeakPolarHBondContact O-CA 3.45Å; E572-V661 HydrophobicContact CB-CG1 4.02Å; L627-V661 HydrophobicContact CB-CG1 4.44Å; L627-V661 HydrophobicContact CD1-CG2 3.89Å; Y629-V661 HydrophobicContact CD2-CB 4.3Å; Y629-V661 HydrophobicContact CD2-CG1 4.23Å; Y629-V661 WeakPolarHBondContact CD2-O 3.39Å; Y629-V661 WeakPolarHBondContact CE2-O 3.35Å; I632-V661 HydrophobicContact CD1-CB 4.13Å; I632-V661 HydrophobicContact CD1-CG1 4.09Å; I632-V661 HydrophobicContact CD1-CG2 4.1Å; G635-V661 WeakPolarHBondContact O-CA 3.11Å; G635-V661 WeakPolarHBondContact O-CB 3.5Å; G635-V661 WeakPolarHBondContact O-CG2 3.45Å; G635-V661 PolarHBondContact O-N 3.16Å; G635-V661 VanDerWaalsContact O-O 3.11Å; I659-V661 PolarHBondContact O-N 2.77Å
662F75.5Confident82Confident79.6667 Ų79.666751.4 Ų51.435%0.34928%0.278SS..EExtended strand (participates in β ladder)trans-112.4151-176.4-57.4-74.7000113.4A569 L570 R571 E572 Y629 E660A569-F662 HydrophobicContact CB-CE2 4.3Å; L570-F662 WeakPolarHBondContact O-CD2 3.47Å; L570-F662 WeakPolarHBondContact O-CE2 2.96Å; R571-F662 HydrophobicContact CG-CD2 4.3Å; E572-F662 VanDerWaalsContact CB-O 3.3Å; E572-F662 WeakPolarHBondContact CB-O 3.37Å; E572-F662 VanDerWaalsContact CG-O 3.23Å; E572-F662 WeakPolarHBondContact CG-O 3.47Å; E572-F662 PolarHBondContact N-O 3.05Å; Y629-F662 VanDerWaalsContact CD2-C 3.42Å; Y629-F662 WeakPolarHBondContact CD2-O 3.41Å; E660-F662 HydrophobicContact CB-CE2 4.45Å; E660-F662 HydrophobicContact CB-CZ 4.38Å; E660-F662 HydrophobicContact CG-CD1 4.3Å; E660-F662 HydrophobicContact CG-CD2 4.47Å; E660-F662 HydrophobicContact CG-CE1 3.98Å; E660-F662 HydrophobicContact CG-CE2 3.95Å; E660-F662 HydrophobicContact CG-CZ 3.83Å; E660-F662 VanDerWaalsContact OE1-CE1 3.27Å; E660-F662 WeakPolarHBondContact OE1-CE1 3.28Å; E660-F662 WeakPolarHBondContact OE2-CZ 3.24Å
663D75.1Confident81.4Confident21.6667 Ų21.666750.7 Ų50.712%0.11628%0.278CS..  trans-92.1154-177.2-170.950.9000114.1Y629 R700 S701Y629-D663 HydrophobicContact CD1-CB 3.68Å; Y629-D663 WeakPolarHBondContact CD1-OD1 3.39Å; Y629-D663 HydrophobicContact CD2-CB 4.06Å; Y629-D663 HydrophobicContact CE1-CB 3.8Å; Y629-D663 WeakPolarHBondContact CE1-OD1 3.47Å; Y629-D663 WeakPolarHBondContact CE1-OD2 3.21Å; Y629-D663 HydrophobicContact CE2-CB 4.14Å; Y629-D663 HydrophobicContact CG-CB 3.83Å; Y629-D663 VanDerWaalsContact CZ-CB 3.47Å; D663-R700 WeakPolarHBondContact OD1-CA 3.37Å; D663-R700 WeakPolarHBondContact OD1-CB 3.42Å; D663-R700 PolarHBondContact OD1-N 3.12Å; D663-S701 VanDerWaalsContact CG-CB 3.46Å; D663-S701 PolarHBondContact OD1-N 2.73Å; D663-S701 WeakPolarHBondContact OD2-CA 3.5Å; D663-S701 WeakPolarHBondContact OD2-CB 3.33Å; D663-S701 PolarHBondContact OD2-N 3.13Å; D663-S701 PolarHBondContact OD2-OG 3.2Å
664E75.4Confident80.9Confident99 Ų9954.2 Ų54.246%0.46330%0.3SS..  trans-131.8146.2174.9-62-112.7161.800112.4R571 E572 D666 Y704R571-E664 IonicContact NH1-OE1 3.48Å; R571-E664 PolarHBondContact NH1-OE1 2.83Å; E572-E664 PolarHBondContact OE1-N 2.79Å; E664-D666 PolarHBondContact O-N 3.03Å; E664-D666 VanDerWaalsContact O-N 3.16Å; E664-Y704 WeakPolarHBondContact O-CD2 3.49Å
665N75.7Confident80.5Confident33.6667 Ų33.666752.8 Ų52.818%0.1830%0.296CS..  trans-81.3121.3-167.8177.3-73.4000116.1D699 Y704 G751 G752 N756 K758N665-D699 VanDerWaalsContact CA-OD2 3.25Å; N665-D699 WeakPolarHBondContact CA-OD2 3.41Å; N665-D699 PolarHBondContact ND2-OD2 2.88Å; N665-Y704 HydrophobicContact CB-CD1 3.76Å; N665-Y704 VanDerWaalsContact CB-CD1 3.48Å; N665-Y704 HydrophobicContact CB-CD2 3.74Å; N665-Y704 HydrophobicContact CB-CE1 4.01Å; N665-Y704 HydrophobicContact CB-CE2 3.94Å; N665-Y704 HydrophobicContact CB-CG 3.53Å; N665-Y704 WeakPolarHBondContact ND2-CB 3.42Å; N665-Y704 WeakPolarHBondContact ND2-CD1 3.47Å; N665-Y704 WeakPolarHBondContact ND2-CE1 3.4Å; N665-G751 PolarHBondContact ND2-O 3.35Å; N665-G752 WeakPolarHBondContact ND2-CA 3.35Å; N665-G752 PolarHBondContact ND2-N 3.1Å; N665-N756 PolarHBondContact OD1-O 3.06Å; N665-K758 WeakPolarHBondContact OD1-CE 3.38Å; N665-K758 PolarHBondContact OD1-NZ 3.04Å; N665-K758 VanDerWaalsContact OD1-NZ 3.07Å
666D76Confident80.2Confident104.667 Ų104.66754.1 Ų54.156%0.5630%0.301SS*.  trans-134.9-23.6173.1124-3000117.4E664 D699 K758E664-D666 PolarHBondContact O-N 3.03Å; E664-D666 VanDerWaalsContact O-N 3.16Å; D666-D699 PolarHBondContact N-OD1 3.06Å; D666-D699 PolarHBondContact N-OD2 2.9Å; D666-K758 WeakPolarHBondContact O-CE 3.29Å; D666-K758 PolarHBondContact O-NZ 3.1Å
667N74.5Confident79.9Confident31.3333 Ų31.333358.9 Ų58.917%0.16832%0.315CS..  trans-101.7167.3-169.9-65-87.4000117.2D697 L698 D699 K758N667-D697 WeakPolarHBondContact CB-OD1 3.37Å; N667-L698 HydrophobicContact CB-CB 3.76Å; N667-D699 VanDerWaalsContact CB-OD1 3.22Å; N667-D699 WeakPolarHBondContact CB-OD1 3.24Å; N667-D699 VanDerWaalsContact CB-OD2 3.31Å; N667-D699 WeakPolarHBondContact CB-OD2 3.34Å; N667-D699 PolarHBondContact N-OD1 3.15Å; N667-D699 PolarHBondContact N-OD2 3.19Å; N667-D699 PolarHBondContact ND2-OD1 2.82Å; N667-K758 WeakPolarHBondContact O-CE 3.46Å; N667-K758 WeakPolarHBondContact O-CG 3.45Å; N667-K758 PolarHBondContact O-NZ 2.97Å
668P78Confident79.9Confident67 Ų6760.9 Ų60.944%0.43533%0.328SS..  trans-126.2155.2-177.833.1-17.9000118.4D697 K758P668-D697 VanDerWaalsContact C-CG 3.45Å; P668-D697 VanDerWaalsContact CA-OD2 3.3Å; P668-D697 WeakPolarHBondContact CA-OD2 3.22Å; P668-K758 HydrophobicContact CB-CB 3.73Å; P668-K758 HydrophobicContact CB-CD 3.9Å; P668-K758 HydrophobicContact CB-CG 3.8Å; P668-K758 HydrophobicContact CG-CD 4.19Å
669P83.5Confident79.5Confident6.33333 Ų6.3333363.2 Ų63.24%0.04135%0.345CS..  trans-87.8146.6-177.5-0.412.3000116.9T696 D697 I709 A748 D750 G760P669-T696 VanDerWaalsContact CA-O 3.26Å; P669-T696 WeakPolarHBondContact CA-O 3.32Å; P669-D697 HydrophobicContact CB-CB 4.39Å; P669-D697 WeakPolarHBondContact CB-OD2 3.13Å; P669-D697 WeakPolarHBondContact CD-OD2 3.4Å; P669-D697 HydrophobicContact CG-CB 4.49Å; P669-D697 VanDerWaalsContact CG-OD2 3.25Å; P669-D697 WeakPolarHBondContact CG-OD2 3.18Å; P669-I709 HydrophobicContact CB-CD1 4.17Å; P669-I709 HydrophobicContact CB-CG1 4.26Å; P669-I709 HydrophobicContact CB-CG2 4.4Å; P669-I709 HydrophobicContact CG-CG1 4.39Å; P669-A748 HydrophobicContact CB-CB 4.2Å; P669-D750 HydrophobicContact CG-CB 3.96Å; P669-G760 WeakPolarHBondContact O-CA 3.2Å
670T76.8Confident79.4Confident83.6667 Ų83.666764.1 Ų64.151%0.51335%0.351SS..EExtended strand (participates in β ladder)trans-141.1136-175.254.60000116A695 T696T670-A695 CarbonylContact O-C 3.47Å; T670-A695 WeakPolarHBondContact O-CA 3.41Å; T670-A695 WeakPolarHBondContact O-CB 3.39Å; T670-T696 PolarHBondContact N-O 3.3Å; T670-T696 PolarHBondContact O-N 2.89Å; T670-T696 PolarHBondContact O-OG1 3.08Å; T670-T696 PolarHBondContact OG1-O 2.78Å; T670-T696 PolarHBondContact OG1-OG1 3.34Å
671F84.2Confident79.2Confident39.6667 Ų39.666765.3 Ų65.317%0.17436%0.359CS..EExtended strand (participates in β ladder)trans-91.3157.1-177.8-87.2-66.8000115.1K673 L693 N694 A695 Y711 V746 A748 G760 I761 A762F671-K673 PolarHBondContact O-N 3.25Å; F671-K673 VanDerWaalsContact O-N 3.15Å; F671-L693 HydrophobicContact CE1-CB 4.31Å; F671-N694 WeakPolarHBondContact CA-O 3.3Å; F671-N694 WeakPolarHBondContact CD1-O 3.29Å; F671-A695 HydrophobicContact CD1-CB 3.9Å; F671-A695 HydrophobicContact CE1-CB 4.11Å; F671-A695 HydrophobicContact CG-CB 4.14Å; F671-A695 HydrophobicContact CZ-CB 4.28Å; F671-Y711 HydrophobicContact CD1-CE1 4.37Å; F671-Y711 AromaticContact CE1-CD1 3.71Å; F671-Y711 HydrophobicContact CE1-CD1 3.81Å; F671-Y711 AromaticContact CE1-CE1 3.65Å; F671-Y711 HydrophobicContact CE1-CE1 3.65Å; F671-Y711 HydrophobicContact CE2-CD1 4.49Å; F671-Y711 AromaticContact CZ-CD1 3.69Å; F671-Y711 HydrophobicContact CZ-CD1 3.8Å; F671-Y711 VanDerWaalsContact CZ-CD1 3.5Å; F671-Y711 AromaticContact CZ-CE1 3.84Å; F671-Y711 HydrophobicContact CZ-CE1 4.03Å; F671-V746 HydrophobicContact CE1-CG1 4.15Å; F671-V746 HydrophobicContact CE1-CG2 4.33Å; F671-V746 HydrophobicContact CZ-CB 4.4Å; F671-V746 HydrophobicContact CZ-CG1 3.86Å; F671-V746 HydrophobicContact CZ-CG2 4.08Å; F671-A748 HydrophobicContact CD2-CB 4.04Å; F671-A748 HydrophobicContact CE1-CB 4.38Å; F671-A748 HydrophobicContact CE2-CB 3.59Å; F671-A748 VanDerWaalsContact CE2-CB 3.4Å; F671-A748 HydrophobicContact CZ-CB 3.68Å; F671-G760 WeakPolarHBondContact CE2-O 3.3Å; F671-I761 VanDerWaalsContact CD2-N 3.33Å; F671-A762 HydrophobicContact CB-CB 3.91Å; F671-A762 HydrophobicContact CD1-CB 4.15Å; F671-A762 HydrophobicContact CD2-CB 4.13Å; F671-A762 HydrophobicContact CE2-CB 4.37Å; F671-A762 HydrophobicContact CG-CB 4.09Å
672S77.7Confident78.9Confident87.6667 Ų87.666765.4 Ų65.461%0.61336%0.359SS*.SBendtrans-85.7-26.5-178.665.70000118.1Y676 N694S672-Y676 PolarHBondContact N-OH 2.67Å; S672-Y676 PolarHBondContact OG-OH 3.25Å; S672-N694 PolarHBondContact N-O 2.89Å; S672-N694 VanDerWaalsContact N-O 3.1Å
673K77.8Confident78.8Confident128.333 Ų128.33365.2 Ų65.256%0.55836%0.362SS*.  trans-151.1157.8178.8-72.3-176.6-175.2171.80111.9F671 A675 Y676 A762F671-K673 PolarHBondContact O-N 3.25Å; F671-K673 VanDerWaalsContact O-N 3.15Å; K673-A675 VanDerWaalsContact C-N 3.25Å; K673-A675 WeakPolarHBondContact CB-O 3.39Å; K673-A675 PolarHBondContact O-N 3.43Å; K673-Y676 HydrophobicContact CB-CD1 4.44Å; K673-Y676 HydrophobicContact CB-CD2 4.35Å; K673-Y676 HydrophobicContact CB-CE1 4Å; K673-Y676 HydrophobicContact CB-CE2 3.97Å; K673-Y676 VanDerWaalsContact CB-OH 3.23Å; K673-Y676 WeakPolarHBondContact CB-OH 3.46Å; K673-Y676 HydrophobicContact CD-CD1 4.15Å; K673-Y676 HydrophobicContact CD-CE1 3.9Å; K673-Y676 HydrophobicContact CG-CE1 4.15Å; K673-Y676 PolarHBondContact N-OH 2.99Å; K673-Y676 VanDerWaalsContact N-OH 3.11Å; K673-Y676 VanDerWaalsContact O-CE2 3.23Å; K673-Y676 WeakPolarHBondContact O-CE2 3.32Å; K673-A762 VanDerWaalsContact O-CB 3.32Å; K673-A762 WeakPolarHBondContact O-CB 3.07Å
674P77.9Confident79Confident100 Ų10065.8 Ų65.865%0.64937%0.365SS*.SBendtrans-84.3-40177.932.4-34.1000115.7Y676 A762 T763P674-Y676 VanDerWaalsContact O-CE2 3.29Å; P674-Y676 WeakPolarHBondContact O-CE2 3.43Å; P674-A762 VanDerWaalsContact O-CA 3.24Å; P674-A762 WeakPolarHBondContact O-CA 3.41Å; P674-A762 WeakPolarHBondContact O-CB 3.43Å; P674-T763 PolarHBondContact O-N 3.09Å; P674-T763 PolarHBondContact O-OG1 2.67Å
675A82.6Confident78.8Confident46.6667 Ų46.666766.8 Ų66.839%0.38637%0.371SS..EExtended strand (participates in β ladder)trans-145.4147.8-169.100000113.7K673 T763K673-A675 VanDerWaalsContact C-N 3.25Å; K673-A675 WeakPolarHBondContact CB-O 3.39Å; K673-A675 PolarHBondContact O-N 3.43Å; A675-T763 CarbonylContact C-O 3.57Å; A675-T763 VanDerWaalsContact CA-O 3.27Å; A675-T763 WeakPolarHBondContact CA-O 3.32Å; A675-T763 VanDerWaalsContact CB-OG1 3.29Å; A675-T763 WeakPolarHBondContact CB-OG1 3.24Å
676Y84.9Confident78.4Confident29.6667 Ų29.666767.7 Ų67.712%0.11638%0.383CS..EExtended strand (participates in β ladder)trans-141.4156.4-173.6-52.2-103.5000112.8S672 K673 P674 L691 L693 A762 T763 V764 N765S672-Y676 PolarHBondContact N-OH 2.67Å; S672-Y676 PolarHBondContact OG-OH 3.25Å; K673-Y676 HydrophobicContact CB-CD1 4.44Å; K673-Y676 HydrophobicContact CB-CD2 4.35Å; K673-Y676 HydrophobicContact CB-CE1 4Å; K673-Y676 HydrophobicContact CB-CE2 3.97Å; K673-Y676 VanDerWaalsContact CB-OH 3.23Å; K673-Y676 WeakPolarHBondContact CB-OH 3.46Å; K673-Y676 HydrophobicContact CD-CD1 4.15Å; K673-Y676 HydrophobicContact CD-CE1 3.9Å; K673-Y676 HydrophobicContact CG-CE1 4.15Å; K673-Y676 PolarHBondContact N-OH 2.99Å; K673-Y676 VanDerWaalsContact N-OH 3.11Å; K673-Y676 VanDerWaalsContact O-CE2 3.23Å; K673-Y676 WeakPolarHBondContact O-CE2 3.32Å; P674-Y676 VanDerWaalsContact O-CE2 3.29Å; P674-Y676 WeakPolarHBondContact O-CE2 3.43Å; Y676-L691 VanDerWaalsContact CB-CD2 3.46Å; Y676-L691 HydrophobicContact CD1-CD1 4.04Å; Y676-L691 HydrophobicContact CD1-CD2 3.84Å; Y676-L691 HydrophobicContact CD1-CG 4.24Å; Y676-L691 HydrophobicContact CD2-CD2 3.86Å; Y676-L691 HydrophobicContact CE1-CD1 4.34Å; Y676-L691 HydrophobicContact CE1-CD2 4.38Å; Y676-L691 HydrophobicContact CE2-CD2 4.15Å; Y676-L691 HydrophobicContact CG-CD1 4.45Å; Y676-L691 HydrophobicContact CG-CD2 3.56Å; Y676-L691 HydrophobicContact CG-CG 4.48Å; Y676-L693 HydrophobicContact CD1-CD2 4.14Å; Y676-L693 HydrophobicContact CD2-CD2 3.9Å; Y676-L693 HydrophobicContact CE1-CD2 3.85Å; Y676-L693 HydrophobicContact CE2-CD2 3.38Å; Y676-L693 HydrophobicContact CG-CD2 4.05Å; Y676-L693 WeakPolarHBondContact OH-CD2 3.48Å; Y676-A762 HydrophobicContact CE2-CB 4.13Å; Y676-T763 WeakPolarHBondContact CD2-O 3.29Å; Y676-T763 PolarHBondContact N-O 3.13Å; Y676-V764 HydrophobicContact CD2-CG2 4.16Å; Y676-V764 HydrophobicContact CG-CG2 4.41Å; Y676-V764 CarbonylContact O-C 2.97Å; Y676-V764 VanDerWaalsContact O-CA 3.31Å; Y676-V764 WeakPolarHBondContact O-CA 3.34Å; Y676-N765 PolarHBondContact O-N 3.06Å
677F82.9Confident78.5Confident164 Ų16464 Ų6472%0.71937%0.369SS*.EExtended strand (participates in β ladder)trans-140.8143.5-177.8-60.6-95.5000111.4N765F677-N765 CarbonylContact C-O 3.6Å; F677-N765 WeakPolarHBondContact CA-O 3.32Å; F677-N765 HydrophobicContact CD1-CB 3.99Å; F677-N765 HydrophobicContact CE1-CB 4.22Å; F677-N765 HydrophobicContact CG-CB 4.41Å
678V86.1Confident78.7Confident44.3333 Ų44.333363.2 Ų63.227%0.26937%0.367SS..EExtended strand (participates in β ladder)trans-152.3160-179.966.10000113.4V680 V690 N765 V766 T767V678-V680 HydrophobicContact CG1-CG2 4.42Å; V678-V680 HydrophobicContact CG2-CG1 4.18Å; V678-V680 HydrophobicContact CG2-CG2 4.39Å; V678-V690 HydrophobicContact CB-CG1 4.22Å; V678-V690 HydrophobicContact CG1-CG1 3.61Å; V678-V690 HydrophobicContact CG2-CG1 4.39Å; V678-N765 VanDerWaalsContact CG1-O 3.23Å; V678-N765 WeakPolarHBondContact CG1-O 3.47Å; V678-N765 PolarHBondContact N-O 3.26Å; V678-N765 VanDerWaalsContact N-O 3.14Å; V678-V766 HydrophobicContact CG1-CB 4.12Å; V678-V766 HydrophobicContact CG1-CG1 3.96Å; V678-V766 HydrophobicContact CG1-CG2 3.78Å; V678-V766 CarbonylContact O-C 3.56Å; V678-V766 VanDerWaalsContact O-CA 3.31Å; V678-V766 WeakPolarHBondContact O-CA 3.37Å; V678-T767 PolarHBondContact O-N 2.94Å; V678-T767 PolarHBondContact O-OG1 3.49Å
679S77.9Confident78.9Confident81.3333 Ų81.333363.3 Ų63.357%0.56937%0.367SS*.EExtended strand (participates in β ladder)trans-133.1142.5172.7-30.40000111.1T767S679-T767 CarbonylContact C-O 3.58Å; S679-T767 WeakPolarHBondContact CA-O 3.44Å; S679-T767 WeakPolarHBondContact CB-OG1 2.91Å; S679-T767 PolarHBondContact OG-OG1 3.19Å
680V82.8Confident78.9Confident20.6667 Ų20.666763.6 Ų63.613%0.12537%0.369CS..EExtended strand (participates in β ladder)trans-137.4162.5-172.1-91.40000111.8V678 I684 L734 V766 T767 L768 L769V678-V680 HydrophobicContact CG1-CG2 4.42Å; V678-V680 HydrophobicContact CG2-CG1 4.18Å; V678-V680 HydrophobicContact CG2-CG2 4.39Å; V680-I684 HydrophobicContact CB-CB 4.37Å; V680-I684 HydrophobicContact CB-CD1 3.74Å; V680-I684 HydrophobicContact CB-CG2 3.97Å; V680-I684 HydrophobicContact CG1-CB 4.2Å; V680-I684 HydrophobicContact CG1-CD1 3.51Å; V680-I684 VanDerWaalsContact CG1-CD1 3.41Å; V680-I684 HydrophobicContact CG1-CG1 4.34Å; V680-I684 HydrophobicContact CG1-CG2 3.89Å; V680-I684 HydrophobicContact CG2-CD1 4.32Å; V680-I684 HydrophobicContact CG2-CG2 4.07Å; V680-L734 HydrophobicContact CG2-CD1 3.93Å; V680-V766 HydrophobicContact CG1-CG1 4.41Å; V680-V766 HydrophobicContact CG2-CG1 3.9Å; V680-T767 WeakPolarHBondContact CA-O 3.44Å; V680-T767 WeakPolarHBondContact CG2-O 3.24Å; V680-T767 PolarHBondContact N-O 3.1Å; V680-L768 HydrophobicContact CB-CD2 4.31Å; V680-L768 HydrophobicContact CG2-CD2 3.56Å; V680-L768 VanDerWaalsContact CG2-CD2 3.42Å; V680-L768 CarbonylContact O-C 3.5Å; V680-L768 VanDerWaalsContact O-CA 3.3Å; V680-L768 WeakPolarHBondContact O-CA 3.27Å; V680-L769 PolarHBondContact O-N 2.92Å; V680-L769 VanDerWaalsContact O-N 3.08Å
681L77.6Confident79.3Confident97.3333 Ų97.333361.5 Ų61.551%0.5135%0.354SS..EExtended strand (participates in β ladder)trans-76161.5168-76158.2000110.5I684 L769 I771L681-I684 HydrophobicContact CB-CB 4.16Å; L681-I684 WeakPolarHBondContact O-CB 3.3Å; L681-I684 WeakPolarHBondContact O-CG2 3.32Å; L681-L769 CarbonylContact C-O 3.5Å; L681-L769 HydrophobicContact CD2-CB 4.1Å; L681-L769 HydrophobicContact CD2-CD1 4.46Å; L681-L769 WeakPolarHBondContact CD2-O 3.4Å; L681-I771 HydrophobicContact CB-CD1 4.32Å; L681-I771 HydrophobicContact CD2-CD1 4.35Å; L681-I771 HydrophobicContact CD2-CG1 4.3Å
682E74.4Confident79.2Confident7.33333 Ų7.3333365.4 Ų65.43%0.03437%0.371CS..THydrogen-bonded Turntrans-75.6-160.4164.181.3-178.8125.600112I684 L734 D735 R736 L769 D770 I771E682-I684 PolarHBondContact O-N 2.73Å; E682-I684 VanDerWaalsContact O-N 3.07Å; E682-L734 CarbonylContact C-O 3.47Å; E682-L734 WeakPolarHBondContact CA-O 3.1Å; E682-L734 VanDerWaalsContact CB-O 3.27Å; E682-L734 WeakPolarHBondContact CB-O 3.31Å; E682-L734 PolarHBondContact O-N 3.1Å; E682-D735 VanDerWaalsContact OE2-CA 3.29Å; E682-D735 WeakPolarHBondContact OE2-CA 3.27Å; E682-R736 HydrophobicContact CB-CB 4.23Å; E682-R736 VanDerWaalsContact CD-CB 3.49Å; E682-R736 HydrophobicContact CG-CB 4.38Å; E682-R736 WeakPolarHBondContact OE1-CB 3.27Å; E682-R736 IonicContact OE1-CZ 3.94Å; E682-R736 IonicContact OE1-NE 2.72Å; E682-R736 PolarHBondContact OE1-NE 2.82Å; E682-R736 VanDerWaalsContact OE1-NE 3.15Å; E682-R736 WeakPolarHBondContact OE2-CA 3.21Å; E682-R736 WeakPolarHBondContact OE2-CB 3.25Å; E682-R736 PolarHBondContact OE2-N 3.02Å; E682-L769 WeakPolarHBondContact CG-O 3.26Å; E682-L769 VanDerWaalsContact N-N 3.18Å; E682-L769 PolarHBondContact N-O 2.78Å; E682-L769 VanDerWaalsContact N-O 3.13Å; E682-D770 WeakPolarHBondContact OE1-CA 3.35Å; E682-D770 PolarHBondContact OE1-N 2.91Å; E682-I771 HydrophobicContact CG-CB 4.27Å; E682-I771 HydrophobicContact CG-CD1 3.94Å; E682-I771 HydrophobicContact CG-CG1 4Å; E682-I771 WeakPolarHBondContact O-CD1 3.35Å; E682-I771 PolarHBondContact OE1-N 2.93Å
683N73.5Confident79.4Confident74 Ų7461.6 Ų61.640%0.39634%0.344SS..THydrogen-bonded Turntrans25.711.6-175.3-54-53.6000113.3M685 L734 I771 D773N683-M685 PolarHBondContact O-N 2.88Å; N683-L734 WeakPolarHBondContact CA-O 3.48Å; N683-L734 PolarHBondContact N-O 2.79Å; N683-I771 HydrophobicContact CB-CB 4.01Å; N683-I771 HydrophobicContact CB-CD1 3.64Å; N683-I771 HydrophobicContact CB-CG1 4.44Å; N683-I771 HydrophobicContact CB-CG2 3.79Å; N683-I771 WeakPolarHBondContact ND2-CD1 2.98Å; N683-D773 PolarHBondContact ND2-OD2 2.79Å
684I79Confident79.6Confident35.3333 Ų35.333360 Ų6018%0.18134%0.341CS..BIsolated β-bridgetrans-59.8121.8169.3-168.5174.8000108.8V680 L681 E682 A686 A688 T730 L734V680-I684 HydrophobicContact CB-CB 4.37Å; V680-I684 HydrophobicContact CB-CD1 3.74Å; V680-I684 HydrophobicContact CB-CG2 3.97Å; V680-I684 HydrophobicContact CG1-CB 4.2Å; V680-I684 HydrophobicContact CG1-CD1 3.51Å; V680-I684 VanDerWaalsContact CG1-CD1 3.41Å; V680-I684 HydrophobicContact CG1-CG1 4.34Å; V680-I684 HydrophobicContact CG1-CG2 3.89Å; V680-I684 HydrophobicContact CG2-CD1 4.32Å; V680-I684 HydrophobicContact CG2-CG2 4.07Å; L681-I684 HydrophobicContact CB-CB 4.16Å; L681-I684 WeakPolarHBondContact O-CB 3.3Å; L681-I684 WeakPolarHBondContact O-CG2 3.32Å; E682-I684 PolarHBondContact O-N 2.73Å; E682-I684 VanDerWaalsContact O-N 3.07Å; I684-A686 PolarHBondContact O-N 3.41Å; I684-A688 HydrophobicContact CD1-CB 3.69Å; I684-A688 HydrophobicContact CG1-CB 3.52Å; I684-A688 VanDerWaalsContact CG1-CB 3.47Å; I684-T730 HydrophobicContact CG2-CG2 4.34Å; I684-L734 HydrophobicContact CG2-CB 4.02Å; I684-L734 HydrophobicContact CG2-CD1 3.75Å; I684-L734 HydrophobicContact CG2-CG 4.11Å
685M70.4Confident79.8Confident120 Ų12055.3 Ų55.359%0.59131%0.311SS*.PPolyproline II helixtrans-56.4147-170.894.1-179.8150.400112.5N683 G687 A688 T730N683-M685 PolarHBondContact O-N 2.88Å; M685-G687 PolarHBondContact O-N 3.06Å; M685-A688 HydrophobicContact CE-CB 4.24Å; M685-A688 HydrophobicContact CG-CB 3.93Å; M685-A688 WeakPolarHBondContact O-CB 3.24Å; M685-A688 PolarHBondContact O-N 2.96Å; M685-T730 PolarHBondContact O-OG1 3.15Å; M685-T730 VanDerWaalsContact O-OG1 3.05Å
686A68Low79.7Confident52.3333 Ų52.333356.5 Ų56.543%0.43331%0.313SS..THydrogen-bonded Turntrans-60.6122.7171.400000110.3I684 A688 T730 S732 L733I684-A686 PolarHBondContact O-N 3.41Å; A686-A688 VanDerWaalsContact C-N 3.3Å; A686-T730 WeakPolarHBondContact CA-OG1 3.41Å; A686-S732 WeakPolarHBondContact CA-O 3.32Å; A686-S732 VanDerWaalsContact CB-C 3.48Å; A686-L733 HydrophobicContact CB-CD2 4.19Å; A686-L733 HydrophobicContact CB-CG 4.25Å
687G77Confident79.6Confident27 Ų2755.6 Ų55.628%0.27831%0.311SS..THydrogen-bonded Turntrans95.50.1-173.200000115.1M685 T689 T729 T730M685-G687 PolarHBondContact O-N 3.06Å; G687-T689 PolarHBondContact O-N 3.07Å; G687-T729 WeakPolarHBondContact O-CB 3.27Å; G687-T729 WeakPolarHBondContact O-CG2 3.33Å; G687-T730 VanDerWaalsContact CA-O 3.31Å; G687-T730 WeakPolarHBondContact CA-O 3.25Å; G687-T730 PolarHBondContact N-O 2.96Å; G687-T730 PolarHBondContact N-OG1 2.96Å
688A78.8Confident79.2Confident14.6667 Ų14.666753.7 Ų53.712%0.12131%0.307CS..  trans-64.9139.1172.500000111.7I684 M685 A686 V690 T729 T730I684-A688 HydrophobicContact CD1-CB 3.69Å; I684-A688 HydrophobicContact CG1-CB 3.52Å; I684-A688 VanDerWaalsContact CG1-CB 3.47Å; M685-A688 HydrophobicContact CE-CB 4.24Å; M685-A688 HydrophobicContact CG-CB 3.93Å; M685-A688 WeakPolarHBondContact O-CB 3.24Å; M685-A688 PolarHBondContact O-N 2.96Å; A686-A688 VanDerWaalsContact C-N 3.3Å; A688-V690 PolarHBondContact O-N 3.13Å; A688-T729 CarbonylContact O-C 3.59Å; A688-T729 VanDerWaalsContact O-CA 3.26Å; A688-T729 WeakPolarHBondContact O-CA 3.36Å; A688-T729 VanDerWaalsContact O-CB 3.32Å; A688-T729 WeakPolarHBondContact O-CB 3.3Å; A688-T730 PolarHBondContact N-OG1 2.82Å; A688-T730 VanDerWaalsContact N-OG1 3.15Å; A688-T730 PolarHBondContact O-N 2.91Å; A688-T730 PolarHBondContact O-OG1 2.97Å
689T82.6Confident79Confident70 Ų7052.2 Ų52.243%0.42930%0.298SS..EExtended strand (participates in β ladder)trans-64.2129.8177.1-48.90000111.3G687 F692 E727G687-T689 PolarHBondContact O-N 3.07Å; T689-F692 HydrophobicContact CG2-CD2 3.87Å; T689-F692 VanDerWaalsContact CG2-CD2 3.5Å; T689-F692 HydrophobicContact CG2-CE2 3.46Å; T689-F692 VanDerWaalsContact CG2-CE2 3.44Å; T689-F692 HydrophobicContact CG2-CG 4.44Å; T689-F692 HydrophobicContact CG2-CZ 3.98Å; T689-E727 WeakPolarHBondContact CB-OE1 3.41Å; T689-E727 HydrophobicContact CG2-CG 3.99Å; T689-E727 WeakPolarHBondContact CG2-OE1 3.21Å; T689-E727 PolarHBondContact OG1-OE1 3.08Å
690V83.5Confident78.7Confident12.3333 Ų12.333355.5 Ų55.58%0.07530%0.298CS..EExtended strand (participates in β ladder)trans-104.9-41.2176.2178.90000110.4V678 A688 F719 I728 T730 V766V678-V690 HydrophobicContact CB-CG1 4.22Å; V678-V690 HydrophobicContact CG1-CG1 3.61Å; V678-V690 HydrophobicContact CG2-CG1 4.39Å; A688-V690 PolarHBondContact O-N 3.13Å; V690-F719 HydrophobicContact CB-CE1 4.46Å; V690-F719 HydrophobicContact CG1-CD1 4.43Å; V690-F719 HydrophobicContact CG1-CE1 4.11Å; V690-F719 HydrophobicContact CG2-CD1 4.04Å; V690-F719 HydrophobicContact CG2-CE1 3.9Å; V690-I728 WeakPolarHBondContact CA-O 3.5Å; V690-I728 HydrophobicContact CB-CB 4.41Å; V690-I728 HydrophobicContact CB-CG2 4.13Å; V690-I728 VanDerWaalsContact CB-O 3.26Å; V690-I728 WeakPolarHBondContact CB-O 3.37Å; V690-I728 HydrophobicContact CG1-CG2 4.35Å; V690-I728 PolarHBondContact N-O 2.93Å; V690-T730 HydrophobicContact CG2-CG2 3.65Å; V690-V766 HydrophobicContact CG1-CG1 4.32Å; V690-V766 HydrophobicContact CG1-CG2 3.9Å
691L84.9Confident77.9Confident38 Ų3855.3 Ų55.320%0.19930%0.297CS..EExtended strand (participates in β ladder)trans-164.8151.1179.7-172.367.9000111.3Y676 L693 E727 I728 V764Y676-L691 VanDerWaalsContact CB-CD2 3.46Å; Y676-L691 HydrophobicContact CD1-CD1 4.04Å; Y676-L691 HydrophobicContact CD1-CD2 3.84Å; Y676-L691 HydrophobicContact CD1-CG 4.24Å; Y676-L691 HydrophobicContact CD2-CD2 3.86Å; Y676-L691 HydrophobicContact CE1-CD1 4.34Å; Y676-L691 HydrophobicContact CE1-CD2 4.38Å; Y676-L691 HydrophobicContact CE2-CD2 4.15Å; Y676-L691 HydrophobicContact CG-CD1 4.45Å; Y676-L691 HydrophobicContact CG-CD2 3.56Å; Y676-L691 HydrophobicContact CG-CG 4.48Å; L691-L693 HydrophobicContact CD2-CD2 3.72Å; L691-L693 HydrophobicContact CD2-CG 4.27Å; L691-L693 HydrophobicContact CG-CD2 4.24Å; L691-L693 HydrophobicContact CG-CG 4.37Å; L691-E727 CarbonylContact O-C 3.5Å; L691-E727 WeakPolarHBondContact O-CA 3.46Å; L691-E727 WeakPolarHBondContact O-CG 3.28Å; L691-I728 HydrophobicContact CB-CB 4.33Å; L691-I728 PolarHBondContact N-O 3.17Å; L691-I728 VanDerWaalsContact N-O 3.12Å; L691-I728 PolarHBondContact O-N 2.73Å; L691-V764 HydrophobicContact CD2-CB 4.41Å; L691-V764 HydrophobicContact CD2-CG1 3.86Å; L691-V764 HydrophobicContact CD2-CG2 3.73Å
692F83Confident77.4Confident123 Ų12359.6 Ų59.654%0.53931%0.307SS..EExtended strand (participates in β ladder)trans-107.9139.6166.3-73.5-84.1000111.8T689 G726 E727T689-F692 HydrophobicContact CG2-CD2 3.87Å; T689-F692 VanDerWaalsContact CG2-CD2 3.5Å; T689-F692 HydrophobicContact CG2-CE2 3.46Å; T689-F692 VanDerWaalsContact CG2-CE2 3.44Å; T689-F692 HydrophobicContact CG2-CG 4.44Å; T689-F692 HydrophobicContact CG2-CZ 3.98Å; F692-G726 CarbonylContact C-O 3.38Å; F692-E727 HydrophobicContact CD1-CB 3.64Å; F692-E727 HydrophobicContact CD1-CG 3.79Å; F692-E727 HydrophobicContact CE1-CB 3.55Å; F692-E727 VanDerWaalsContact CE1-CB 3.49Å; F692-E727 VanDerWaalsContact CE1-CD 3.49Å; F692-E727 HydrophobicContact CE1-CG 3.44Å; F692-E727 VanDerWaalsContact CE1-CG 3.42Å; F692-E727 HydrophobicContact CE2-CG 4.33Å; F692-E727 HydrophobicContact CG-CB 4.45Å; F692-E727 HydrophobicContact CG-CG 4.33Å; F692-E727 HydrophobicContact CZ-CB 4.33Å; F692-E727 HydrophobicContact CZ-CG 3.82Å; F692-E727 VanDerWaalsContact CZ-OE1 3.25Å; F692-E727 WeakPolarHBondContact CZ-OE1 3.2Å
693L82.6Confident77.1Confident7.66667 Ų7.6666764.2 Ų64.24%0.0433%0.328CS..  trans-123.7147.5176.6-61.5171000110.4F671 Y676 L691 I721 S725 G726 I728 V746 A762 V764F671-L693 HydrophobicContact CE1-CB 4.31Å; Y676-L693 HydrophobicContact CD1-CD2 4.14Å; Y676-L693 HydrophobicContact CD2-CD2 3.9Å; Y676-L693 HydrophobicContact CE1-CD2 3.85Å; Y676-L693 HydrophobicContact CE2-CD2 3.38Å; Y676-L693 HydrophobicContact CG-CD2 4.05Å; Y676-L693 WeakPolarHBondContact OH-CD2 3.48Å; L691-L693 HydrophobicContact CD2-CD2 3.72Å; L691-L693 HydrophobicContact CD2-CG 4.27Å; L691-L693 HydrophobicContact CG-CD2 4.24Å; L691-L693 HydrophobicContact CG-CG 4.37Å; L693-I721 HydrophobicContact CD1-CD1 3.9Å; L693-I721 HydrophobicContact CD1-CG1 4.47Å; L693-S725 VanDerWaalsContact O-O 3.07Å; L693-G726 VanDerWaalsContact CB-O 3.25Å; L693-G726 WeakPolarHBondContact CB-O 3.34Å; L693-G726 PolarHBondContact N-O 2.96Å; L693-G726 WeakPolarHBondContact O-CA 3.48Å; L693-I728 HydrophobicContact CD1-CD1 3.76Å; L693-I728 HydrophobicContact CD1-CG1 4.18Å; L693-I728 HydrophobicContact CG-CD1 4.47Å; L693-V746 HydrophobicContact CD1-CB 4.14Å; L693-V746 HydrophobicContact CD1-CG1 3.82Å; L693-V746 HydrophobicContact CD1-CG2 3.76Å; L693-A762 HydrophobicContact CD1-CB 4.48Å; L693-V764 HydrophobicContact CD1-CG2 4.24Å; L693-V764 HydrophobicContact CD2-CG2 4.35Å
694N80.5Confident77Confident94.3333 Ų94.333362.3 Ų62.350%0.50432%0.316SS..  trans-138.2144.8178.7-165.412.4000113.1F671 S672 Y711F671-N694 WeakPolarHBondContact CA-O 3.3Å; F671-N694 WeakPolarHBondContact CD1-O 3.29Å; S672-N694 PolarHBondContact N-O 2.89Å; S672-N694 VanDerWaalsContact N-O 3.1Å; N694-Y711 VanDerWaalsContact C-OH 3.24Å; N694-Y711 WeakPolarHBondContact CA-OH 3.37Å
695A82.2Confident76.7Confident2.33333 Ų2.3333360.7 Ų60.72%0.01931%0.308CS..EExtended strand (participates in β ladder)trans-142.9150.1175.900000111.2T670 F671 Q706 I709 Y711 A748T670-A695 CarbonylContact O-C 3.47Å; T670-A695 WeakPolarHBondContact O-CA 3.41Å; T670-A695 WeakPolarHBondContact O-CB 3.39Å; F671-A695 HydrophobicContact CD1-CB 3.9Å; F671-A695 HydrophobicContact CE1-CB 4.11Å; F671-A695 HydrophobicContact CG-CB 4.14Å; F671-A695 HydrophobicContact CZ-CB 4.28Å; A695-Q706 PolarHBondContact O-NE2 3.11Å; A695-I709 HydrophobicContact CB-CD1 4.33Å; A695-I709 HydrophobicContact CB-CG2 4.15Å; A695-I709 VanDerWaalsContact O-CD1 3.23Å; A695-I709 WeakPolarHBondContact O-CD1 3.31Å; A695-Y711 WeakPolarHBondContact CA-OH 3.24Å; A695-Y711 HydrophobicContact CB-CE1 3.73Å; A695-Y711 WeakPolarHBondContact CB-OH 3.38Å; A695-Y711 PolarHBondContact N-OH 3.14Å; A695-Y711 PolarHBondContact O-OH 3.35Å; A695-A748 HydrophobicContact CB-CB 3.88Å
696T80.2Confident77Confident70.3333 Ų70.333359.1 Ų59.143%0.43130%0.299SS..EExtended strand (participates in β ladder)trans-127.7142.3-174.150.90000114.1P669 T670 Q706 I709P669-T696 VanDerWaalsContact CA-O 3.26Å; P669-T696 WeakPolarHBondContact CA-O 3.32Å; T670-T696 PolarHBondContact N-O 3.3Å; T670-T696 PolarHBondContact O-N 2.89Å; T670-T696 PolarHBondContact O-OG1 3.08Å; T670-T696 PolarHBondContact OG1-O 2.78Å; T670-T696 PolarHBondContact OG1-OG1 3.34Å; T696-Q706 VanDerWaalsContact CA-OE1 3.27Å; T696-I709 VanDerWaalsContact CA-CD1 3.41Å
697D82.6Confident77.1Confident12 Ų1261.3 Ų61.36%0.06430%0.3CS..  trans-129.7167172.9-145.9-47.8000111.3N667 P668 P669 D699 Q706 I709N667-D697 WeakPolarHBondContact CB-OD1 3.37Å; P668-D697 VanDerWaalsContact C-CG 3.45Å; P668-D697 VanDerWaalsContact CA-OD2 3.3Å; P668-D697 WeakPolarHBondContact CA-OD2 3.22Å; P669-D697 HydrophobicContact CB-CB 4.39Å; P669-D697 WeakPolarHBondContact CB-OD2 3.13Å; P669-D697 WeakPolarHBondContact CD-OD2 3.4Å; P669-D697 HydrophobicContact CG-CB 4.49Å; P669-D697 VanDerWaalsContact CG-OD2 3.25Å; P669-D697 WeakPolarHBondContact CG-OD2 3.18Å; D697-D699 PolarHBondContact OD1-N 3.27Å; D697-Q706 VanDerWaalsContact N-OE1 3.12Å; D697-Q706 PolarHBondContact O-OE1 2.9Å; D697-I709 HydrophobicContact CB-CD1 3.92Å; D697-I709 HydrophobicContact CB-CG1 3.97Å
698L76.5Confident77Confident123 Ų12360.5 Ų60.564%0.64429%0.29SS*.  trans-115.4-24.6-171.6-76.8175.9000117E630 N667 R700E630-L698 HydrophobicContact CG-CB 4.45Å; E630-L698 WeakPolarHBondContact CG-O 3.42Å; N667-L698 HydrophobicContact CB-CB 3.76Å; L698-R700 PolarHBondContact O-N 3.15Å
699D80.4Confident77.2Confident13.3333 Ų13.333360 Ų607%0.07129%0.285CS..  trans-57.4155.7175-61.6-28.3000110.8N665 D666 N667 D697 Y704 G705N665-D699 VanDerWaalsContact CA-OD2 3.25Å; N665-D699 WeakPolarHBondContact CA-OD2 3.41Å; N665-D699 PolarHBondContact ND2-OD2 2.88Å; D666-D699 PolarHBondContact N-OD1 3.06Å; D666-D699 PolarHBondContact N-OD2 2.9Å; N667-D699 VanDerWaalsContact CB-OD1 3.22Å; N667-D699 WeakPolarHBondContact CB-OD1 3.24Å; N667-D699 VanDerWaalsContact CB-OD2 3.31Å; N667-D699 WeakPolarHBondContact CB-OD2 3.34Å; N667-D699 PolarHBondContact N-OD1 3.15Å; N667-D699 PolarHBondContact N-OD2 3.19Å; N667-D699 PolarHBondContact ND2-OD1 2.82Å; D697-D699 PolarHBondContact OD1-N 3.27Å; D699-Y704 WeakPolarHBondContact OD2-CB 3.34Å; D699-G705 VanDerWaalsContact C-CA 3.47Å; D699-G705 WeakPolarHBondContact O-CA 3.37Å
700R71.9Confident77.1Confident150.667 Ų150.66760.6 Ų60.657%0.56929%0.285SS*.  trans-104.3-24.9-173.5-86.2-171.6178.4-150.910.6115.8Y629 E630 D663 L698Y629-R700 HydrophobicContact CD1-CB 3.91Å; Y629-R700 HydrophobicContact CD1-CG 4.31Å; Y629-R700 HydrophobicContact CE1-CB 3.49Å; Y629-R700 VanDerWaalsContact CE1-CB 3.49Å; Y629-R700 HydrophobicContact CE1-CG 4.19Å; E630-R700 PolarHBondContact O-NE 2.92Å; E630-R700 PolarHBondContact O-NH1 3.05Å; E630-R700 PolarHBondContact O-NH2 3.11Å; E630-R700 VanDerWaalsContact O-NH2 3.09Å; E630-R700 WeakPolarHBondContact OE1-CB 3.49Å; E630-R700 WeakPolarHBondContact OE1-CD 3.23Å; D663-R700 WeakPolarHBondContact OD1-CA 3.37Å; D663-R700 WeakPolarHBondContact OD1-CB 3.42Å; D663-R700 PolarHBondContact OD1-N 3.12Å; L698-R700 PolarHBondContact O-N 3.15Å
701S67.2Low77.2Confident16.3333 Ų16.333360.5 Ų60.511%0.11428%0.283CS..SBendtrans-65.5158.4172.659.20000111.9Y629 D663 E703 Y704 G705Y629-S701 WeakPolarHBondContact OH-CA 3.45Å; D663-S701 VanDerWaalsContact CG-CB 3.46Å; D663-S701 PolarHBondContact OD1-N 2.73Å; D663-S701 WeakPolarHBondContact OD2-CA 3.5Å; D663-S701 WeakPolarHBondContact OD2-CB 3.33Å; D663-S701 PolarHBondContact OD2-N 3.13Å; D663-S701 PolarHBondContact OD2-OG 3.2Å; S701-E703 PolarHBondContact O-N 3.22Å; S701-E703 PolarHBondContact OG-N 2.98Å; S701-Y704 PolarHBondContact O-N 2.81Å; S701-Y704 WeakPolarHBondContact OG-CB 3.17Å; S701-Y704 VanDerWaalsContact OG-CD2 3.22Å; S701-Y704 WeakPolarHBondContact OG-CD2 3.41Å; S701-Y704 PolarHBondContact OG-N 2.94Å; S701-G705 VanDerWaalsContact O-CA 3.27Å; S701-G705 WeakPolarHBondContact O-CA 3.42Å; S701-G705 PolarHBondContact O-N 3.2Å
702R66.8Low77.2Confident187.333 Ų187.33361.2 Ų61.271%0.70729%0.291SS*.THydrogen-bonded Turntrans-67.8-17.8170-65.9-172.8150149.63.9113.8E707 S708R702-E707 HydrophobicContact CB-CB 4.33Å; R702-E707 WeakPolarHBondContact CD-OE2 3.18Å; R702-E707 HydrophobicContact CG-CB 4.46Å; R702-E707 WeakPolarHBondContact CG-OE2 3.21Å; R702-E707 IonicContact CZ-OE1 3.1Å; R702-E707 VanDerWaalsContact CZ-OE1 3.31Å; R702-E707 IonicContact CZ-OE2 3.01Å; R702-E707 IonicContact NE-OE1 3.42Å; R702-E707 PolarHBondContact NE-OE1 2.84Å; R702-E707 IonicContact NE-OE2 2.83Å; R702-E707 PolarHBondContact NE-OE2 3.19Å; R702-E707 IonicContact NH2-OE1 3.19Å; R702-E707 PolarHBondContact NH2-OE1 2.9Å; R702-E707 IonicContact NH2-OE2 2.75Å; R702-S708 WeakPolarHBondContact O-CB 3.33Å
703E66.7Low77.3Confident104.667 Ų104.66757.4 Ų57.449%0.48928%0.277SS..THydrogen-bonded Turntrans-80.1-32.6-178.3-86.4-171.1144.600111.2S701 S708 G751 G752S701-E703 PolarHBondContact O-N 3.22Å; S701-E703 PolarHBondContact OG-N 2.98Å; E703-S708 WeakPolarHBondContact O-CB 3.27Å; E703-G751 CarbonylContact O-C 3.6Å; E703-G751 WeakPolarHBondContact O-CA 3.41Å; E703-G751 PolarHBondContact O-N 2.99Å; E703-G752 PolarHBondContact O-N 2.79Å
704Y72.7Confident77.2Confident34.3333 Ų34.333361.9 Ų61.914%0.13530%0.297CS..THydrogen-bonded Turntrans-125.2-27.2-170.2-50.4-51.1000114.5E664 N665 D699 S701 S708 V753E664-Y704 WeakPolarHBondContact O-CD2 3.49Å; N665-Y704 HydrophobicContact CB-CD1 3.76Å; N665-Y704 VanDerWaalsContact CB-CD1 3.48Å; N665-Y704 HydrophobicContact CB-CD2 3.74Å; N665-Y704 HydrophobicContact CB-CE1 4.01Å; N665-Y704 HydrophobicContact CB-CE2 3.94Å; N665-Y704 HydrophobicContact CB-CG 3.53Å; N665-Y704 WeakPolarHBondContact ND2-CB 3.42Å; N665-Y704 WeakPolarHBondContact ND2-CD1 3.47Å; N665-Y704 WeakPolarHBondContact ND2-CE1 3.4Å; D699-Y704 WeakPolarHBondContact OD2-CB 3.34Å; S701-Y704 PolarHBondContact O-N 2.81Å; S701-Y704 WeakPolarHBondContact OG-CB 3.17Å; S701-Y704 VanDerWaalsContact OG-CD2 3.22Å; S701-Y704 WeakPolarHBondContact OG-CD2 3.41Å; S701-Y704 PolarHBondContact OG-N 2.94Å; Y704-S708 VanDerWaalsContact C-OG 3.29Å; Y704-S708 VanDerWaalsContact CA-CB 3.48Å; Y704-S708 WeakPolarHBondContact O-CB 3.05Å; Y704-S708 PolarHBondContact O-OG 2.81Å; Y704-S708 VanDerWaalsContact O-OG 3.1Å; Y704-V753 HydrophobicContact CE1-CG2 4.4Å
705G72.8Confident77.2Confident0.666667 Ų0.66666759.9 Ų59.91%0.00730%0.299CS..SBendtrans-78.1-160.3-172.400000117.5D699 S701 E707 S708D699-G705 VanDerWaalsContact C-CA 3.47Å; D699-G705 WeakPolarHBondContact O-CA 3.37Å; S701-G705 VanDerWaalsContact O-CA 3.27Å; S701-G705 WeakPolarHBondContact O-CA 3.42Å; S701-G705 PolarHBondContact O-N 3.2Å; G705-E707 VanDerWaalsContact C-N 3.27Å; G705-E707 PolarHBondContact O-N 2.93Å; G705-E707 VanDerWaalsContact O-N 3.08Å; G705-S708 WeakPolarHBondContact O-CA 3.46Å; G705-S708 VanDerWaalsContact O-CB 3.27Å; G705-S708 WeakPolarHBondContact O-CB 3.43Å; G705-S708 PolarHBondContact O-N 2.81Å; G705-S708 PolarHBondContact O-OG 3.19Å
706Q76Confident77.1Confident87.6667 Ų87.666761.1 Ų61.141%0.4131%0.308SS..THydrogen-bonded Turntrans-52.1-29.6179.5-176.863.956.400114.4A695 T696 D697 S708 I709A695-Q706 PolarHBondContact O-NE2 3.11Å; T696-Q706 VanDerWaalsContact CA-OE1 3.27Å; D697-Q706 VanDerWaalsContact N-OE1 3.12Å; D697-Q706 PolarHBondContact O-OE1 2.9Å; Q706-S708 VanDerWaalsContact C-N 3.34Å; Q706-S708 PolarHBondContact O-N 3.15Å; Q706-I709 VanDerWaalsContact NE2-CD1 3.27Å; Q706-I709 WeakPolarHBondContact O-CG1 3.35Å
707E69.8Low77.1Confident98.6667 Ų98.666762.8 Ų62.846%0.46132%0.322SS..THydrogen-bonded Turntrans-76-16.4174.8-71.9-161.2-171.100113.7R702 G705 I709 R724R702-E707 HydrophobicContact CB-CB 4.33Å; R702-E707 WeakPolarHBondContact CD-OE2 3.18Å; R702-E707 HydrophobicContact CG-CB 4.46Å; R702-E707 WeakPolarHBondContact CG-OE2 3.21Å; R702-E707 IonicContact CZ-OE1 3.1Å; R702-E707 VanDerWaalsContact CZ-OE1 3.31Å; R702-E707 IonicContact CZ-OE2 3.01Å; R702-E707 IonicContact NE-OE1 3.42Å; R702-E707 PolarHBondContact NE-OE1 2.84Å; R702-E707 IonicContact NE-OE2 2.83Å; R702-E707 PolarHBondContact NE-OE2 3.19Å; R702-E707 IonicContact NH2-OE1 3.19Å; R702-E707 PolarHBondContact NH2-OE1 2.9Å; R702-E707 IonicContact NH2-OE2 2.75Å; G705-E707 VanDerWaalsContact C-N 3.27Å; G705-E707 PolarHBondContact O-N 2.93Å; G705-E707 VanDerWaalsContact O-N 3.08Å; E707-I709 VanDerWaalsContact C-N 3.29Å; E707-I709 PolarHBondContact O-N 2.84Å; E707-R724 WeakPolarHBondContact O-CD 3.32Å; E707-R724 PolarHBondContact O-NE 2.88Å; E707-R724 PolarHBondContact O-NH1 2.88Å; E707-R724 PolarHBondContact O-NH2 2.75Å; E707-R724 IonicContact OE2-CZ 2.73Å; E707-R724 IonicContact OE2-NH2 3.35Å; E707-R724 PolarHBondContact OE2-NH2 3.3Å
708S75.9Confident77Confident8.33333 Ų8.3333364 Ų646%0.05833%0.327CS..G310 helixtrans-81.6-14.7-179.183.80000113.9R702 E703 Y704 G705 Q706 I710 D750 G751R702-S708 WeakPolarHBondContact O-CB 3.33Å; E703-S708 WeakPolarHBondContact O-CB 3.27Å; Y704-S708 VanDerWaalsContact C-OG 3.29Å; Y704-S708 VanDerWaalsContact CA-CB 3.48Å; Y704-S708 WeakPolarHBondContact O-CB 3.05Å; Y704-S708 PolarHBondContact O-OG 2.81Å; Y704-S708 VanDerWaalsContact O-OG 3.1Å; G705-S708 WeakPolarHBondContact O-CA 3.46Å; G705-S708 VanDerWaalsContact O-CB 3.27Å; G705-S708 WeakPolarHBondContact O-CB 3.43Å; G705-S708 PolarHBondContact O-N 2.81Å; G705-S708 PolarHBondContact O-OG 3.19Å; Q706-S708 VanDerWaalsContact C-N 3.34Å; Q706-S708 PolarHBondContact O-N 3.15Å; S708-I710 WeakPolarHBondContact O-CG1 2.9Å; S708-I710 PolarHBondContact O-N 3.18Å; S708-I710 VanDerWaalsContact O-N 3.15Å; S708-D750 VanDerWaalsContact OG-CA 3.27Å; S708-D750 WeakPolarHBondContact OG-CA 3.33Å; S708-D750 WeakPolarHBondContact OG-CB 3.43Å; S708-G751 VanDerWaalsContact CB-N 3.29Å; S708-G751 PolarHBondContact OG-N 2.86Å; S708-G751 VanDerWaalsContact OG-N 3.08Å
709I81.4Confident77.5Confident4.33333 Ų4.3333358.5 Ų58.52%0.02230%0.298CS..  trans-62.6126.4-174.3-54.3-179.8000111.3P669 A695 T696 D697 Q706 E707 Y711 A748 V749P669-I709 HydrophobicContact CB-CD1 4.17Å; P669-I709 HydrophobicContact CB-CG1 4.26Å; P669-I709 HydrophobicContact CB-CG2 4.4Å; P669-I709 HydrophobicContact CG-CG1 4.39Å; A695-I709 HydrophobicContact CB-CD1 4.33Å; A695-I709 HydrophobicContact CB-CG2 4.15Å; A695-I709 VanDerWaalsContact O-CD1 3.23Å; A695-I709 WeakPolarHBondContact O-CD1 3.31Å; T696-I709 VanDerWaalsContact CA-CD1 3.41Å; D697-I709 HydrophobicContact CB-CD1 3.92Å; D697-I709 HydrophobicContact CB-CG1 3.97Å; Q706-I709 VanDerWaalsContact NE2-CD1 3.27Å; Q706-I709 WeakPolarHBondContact O-CG1 3.35Å; E707-I709 VanDerWaalsContact C-N 3.29Å; E707-I709 PolarHBondContact O-N 2.84Å; I709-Y711 HydrophobicContact CG2-CE1 4.34Å; I709-Y711 HydrophobicContact CG2-CE2 4.13Å; I709-A748 HydrophobicContact CG2-CB 3.97Å; I709-V749 CarbonylContact C-O 3.55Å; I709-V749 VanDerWaalsContact CA-O 3.28Å; I709-V749 WeakPolarHBondContact CA-O 3.39Å
710I81.2Confident77.8Confident83.3333 Ų83.333363.7 Ų63.743%0.42732%0.317SS..EExtended strand (participates in β ladder)trans-118.9116.6177.7-66.7169.8000110.2S708 A723 A748 V749S708-I710 WeakPolarHBondContact O-CG1 2.9Å; S708-I710 PolarHBondContact O-N 3.18Å; S708-I710 VanDerWaalsContact O-N 3.15Å; I710-A723 CarbonylContact C-O 3.49Å; I710-A723 VanDerWaalsContact CA-O 3.32Å; I710-A723 WeakPolarHBondContact CA-O 3.43Å; I710-A723 HydrophobicContact CB-CB 4.36Å; I710-A723 HydrophobicContact CG1-CB 4.28Å; I710-A723 HydrophobicContact CG2-CB 4.17Å; I710-A748 CarbonylContact O-C 3.56Å; I710-A748 VanDerWaalsContact O-CA 3.32Å; I710-A748 WeakPolarHBondContact O-CA 3.3Å; I710-V749 HydrophobicContact CB-CG2 4.01Å; I710-V749 HydrophobicContact CG2-CG2 3.89Å; I710-V749 PolarHBondContact N-O 2.85Å; I710-V749 VanDerWaalsContact N-O 3.15Å; I710-V749 PolarHBondContact O-N 3.15Å
711Y86.1Confident78.5Confident10 Ų1057.6 Ų57.64%0.03930%0.295CS..EExtended strand (participates in β ladder)trans-83.9142.7170.9-55.5-80.7000112.1F671 N694 A695 I709 I721 N722 A723 R724 G726 R747 A748F671-Y711 HydrophobicContact CD1-CE1 4.37Å; F671-Y711 AromaticContact CE1-CD1 3.71Å; F671-Y711 HydrophobicContact CE1-CD1 3.81Å; F671-Y711 AromaticContact CE1-CE1 3.65Å; F671-Y711 HydrophobicContact CE1-CE1 3.65Å; F671-Y711 HydrophobicContact CE2-CD1 4.49Å; F671-Y711 AromaticContact CZ-CD1 3.69Å; F671-Y711 HydrophobicContact CZ-CD1 3.8Å; F671-Y711 VanDerWaalsContact CZ-CD1 3.5Å; F671-Y711 AromaticContact CZ-CE1 3.84Å; F671-Y711 HydrophobicContact CZ-CE1 4.03Å; N694-Y711 VanDerWaalsContact C-OH 3.24Å; N694-Y711 WeakPolarHBondContact CA-OH 3.37Å; A695-Y711 WeakPolarHBondContact CA-OH 3.24Å; A695-Y711 HydrophobicContact CB-CE1 3.73Å; A695-Y711 WeakPolarHBondContact CB-OH 3.38Å; A695-Y711 PolarHBondContact N-OH 3.14Å; A695-Y711 PolarHBondContact O-OH 3.35Å; I709-Y711 HydrophobicContact CG2-CE1 4.34Å; I709-Y711 HydrophobicContact CG2-CE2 4.13Å; Y711-I721 HydrophobicContact CG-CD1 4.29Å; Y711-N722 WeakPolarHBondContact CD2-O 3.41Å; Y711-A723 VanDerWaalsContact CD2-C 3.48Å; Y711-A723 WeakPolarHBondContact CD2-O 3.31Å; Y711-A723 PolarHBondContact N-O 2.92Å; Y711-A723 VanDerWaalsContact O-CA 3.25Å; Y711-A723 WeakPolarHBondContact O-CA 3.38Å; Y711-A723 VanDerWaalsContact O-CB 3.29Å; Y711-A723 WeakPolarHBondContact O-CB 3.35Å; Y711-R724 VanDerWaalsContact CE2-O 3.31Å; Y711-R724 WeakPolarHBondContact CE2-O 3.31Å; Y711-G726 VanDerWaalsContact CD2-CA 3.41Å; Y711-R747 CarbonylContact C-O 3.35Å; Y711-R747 WeakPolarHBondContact CA-O 3.4Å; Y711-R747 WeakPolarHBondContact CB-O 3.46Å; Y711-A748 HydrophobicContact CD1-CB 3.98Å; Y711-A748 HydrophobicContact CE1-CB 4.13Å
712S84.2Confident79.3Confident52.6667 Ų52.666760.1 Ų60.137%0.36831%0.308SS..EExtended strand (participates in β ladder)trans-132.3146.5171.354.90000111.6V746 R747S712-V746 CarbonylContact O-C 3.54Å; S712-V746 VanDerWaalsContact O-CA 3.25Å; S712-V746 WeakPolarHBondContact O-CA 3.4Å; S712-V746 WeakPolarHBondContact O-CG1 3.5Å; S712-R747 PolarHBondContact N-O 3.08Å; S712-R747 PolarHBondContact O-N 3.02Å; S712-R747 WeakPolarHBondContact OG-CB 3.3Å
713L85.5Confident80Confident44 Ų4453.3 Ų53.323%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-117.5139.5179.2-177.9103.7000110.9F719 I721 I728 L744 I745 V746L713-F719 HydrophobicContact CD2-CB 4.23Å; L713-F719 WeakPolarHBondContact CD2-O 3.47Å; L713-I721 HydrophobicContact CB-CB 3.8Å; L713-I721 HydrophobicContact CB-CD1 4.47Å; L713-I721 HydrophobicContact CB-CG2 3.54Å; L713-I721 VanDerWaalsContact CB-CG2 3.42Å; L713-I721 HydrophobicContact CD1-CB 3.97Å; L713-I721 HydrophobicContact CD2-CB 4.29Å; L713-I721 HydrophobicContact CG-CB 4.33Å; L713-I721 HydrophobicContact CG-CG2 4.5Å; L713-I728 HydrophobicContact CD1-CD1 4Å; L713-I728 HydrophobicContact CD1-CG1 4.27Å; L713-L744 HydrophobicContact CD1-CB 4.07Å; L713-L744 HydrophobicContact CD1-CD1 4.17Å; L713-L744 HydrophobicContact CD1-CD2 4.48Å; L713-L744 HydrophobicContact CD1-CG 4.34Å; L713-L744 HydrophobicContact CD2-CB 4.33Å; L713-L744 HydrophobicContact CD2-CD1 4.18Å; L713-L744 HydrophobicContact CD2-CD2 4.17Å; L713-L744 HydrophobicContact CD2-CG 4.39Å; L713-L744 HydrophobicContact CG-CB 4.31Å; L713-I745 CarbonylContact C-O 3.55Å; L713-I745 VanDerWaalsContact CA-O 3.27Å; L713-I745 WeakPolarHBondContact CA-O 3.4Å; L713-I745 WeakPolarHBondContact CD1-O 3.36Å; L713-I745 VanDerWaalsContact CG-O 3.23Å; L713-I745 WeakPolarHBondContact CG-O 3.28Å; L713-V746 HydrophobicContact CB-CG1 4.24Å; L713-V746 HydrophobicContact CD1-CG1 4.18Å; L713-V746 HydrophobicContact CD1-CG2 3.64Å; L713-V746 HydrophobicContact CG-CG1 4.35Å
714E81.5Confident80.7Confident100.667 Ų100.66755.2 Ų55.247%0.4729%0.294SS..EExtended strand (participates in β ladder)trans-127.3105.1179.2-177.3174.2-17000107.5L744 I745 R747E714-L744 CarbonylContact O-C 3.57Å; E714-L744 WeakPolarHBondContact O-CA 3.47Å; E714-I745 HydrophobicContact CB-CB 4.25Å; E714-I745 HydrophobicContact CG-CB 4.4Å; E714-I745 PolarHBondContact N-O 2.8Å; E714-I745 WeakPolarHBondContact O-CA 3.29Å; E714-I745 VanDerWaalsContact O-CB 3.3Å; E714-I745 WeakPolarHBondContact O-CB 3.41Å; E714-I745 PolarHBondContact O-N 3.05Å; E714-R747 IonicContact OE1-NH2 2.75Å; E714-R747 PolarHBondContact OE1-NH2 2.75Å; E714-R747 IonicContact OE2-CZ 3.77Å; E714-R747 IonicContact OE2-NE 3.6Å; E714-R747 PolarHBondContact OE2-NE 3.12Å; E714-R747 IonicContact OE2-NH2 3.29Å; E714-R747 PolarHBondContact OE2-NH2 3.06Å
715G79.6Confident81Confident52.6667 Ų52.666755.9 Ų55.954%0.54330%0.303SS..EExtended strand (participates in β ladder)trans175.9-158.4-168.100000114.9S717G715-S717 PolarHBondContact O-N 2.93Å
716S80.1Confident81.4Confident28.6667 Ų28.666755.8 Ų55.820%0.230%0.303CS..  trans-70.6135.5178.5-178.50000112.4Q718 F719 K739 Y742 I743S716-Q718 VanDerWaalsContact C-N 3.26Å; S716-Q718 PolarHBondContact O-N 3Å; S716-Q718 VanDerWaalsContact O-N 3.1Å; S716-Q718 PolarHBondContact OG-N 3.04Å; S716-F719 PolarHBondContact O-N 2.87Å; S716-F719 VanDerWaalsContact O-N 3.15Å; S716-K739 PolarHBondContact OG-NZ 2.91Å; S716-K739 VanDerWaalsContact OG-NZ 3.09Å; S716-Y742 VanDerWaalsContact OG-CD1 3.25Å; S716-Y742 WeakPolarHBondContact OG-CD1 3.43Å; S716-I743 PolarHBondContact N-O 2.74Å
717S79.8Confident81.9Confident105 Ų10553.4 Ų53.473%0.73429%0.292SS*.THydrogen-bonded Turntrans-62.9-12.4179.9560000115.5G715 F719 T731G715-S717 PolarHBondContact O-N 2.93Å; S717-F719 PolarHBondContact O-N 3.01Å; S717-T731 PolarHBondContact O-OG1 3.16Å
718Q80.8Confident82.8Confident36.6667 Ų36.666748.7 Ų48.717%0.17127%0.27CS..THydrogen-bonded Turntrans-75.6-1.3173.4-69.2179.1-9100113.2S716 T730 T731 S732 L734 Y742S716-Q718 VanDerWaalsContact C-N 3.26Å; S716-Q718 PolarHBondContact O-N 3Å; S716-Q718 VanDerWaalsContact O-N 3.1Å; S716-Q718 PolarHBondContact OG-N 3.04Å; Q718-T730 CarbonylContact O-C 3.52Å; Q718-T730 WeakPolarHBondContact O-CA 3.34Å; Q718-T731 VanDerWaalsContact CA-OG1 3.31Å; Q718-T731 WeakPolarHBondContact CA-OG1 3.29Å; Q718-T731 PolarHBondContact O-N 2.9Å; Q718-T731 PolarHBondContact O-OG1 2.95Å; Q718-T731 VanDerWaalsContact O-OG1 3.13Å; Q718-S732 PolarHBondContact NE2-OG 3.14Å; Q718-L734 HydrophobicContact CB-CD2 4.04Å; Q718-L734 HydrophobicContact CG-CD2 4.44Å; Q718-Y742 HydrophobicContact CB-CD1 4.33Å; Q718-Y742 HydrophobicContact CB-CE1 4.08Å; Q718-Y742 VanDerWaalsContact CD-OH 3.23Å; Q718-Y742 HydrophobicContact CG-CE1 4.16Å; Q718-Y742 PolarHBondContact NE2-OH 2.89Å; Q718-Y742 VanDerWaalsContact NE2-OH 3.14Å; Q718-Y742 VanDerWaalsContact OE1-CE1 3.25Å; Q718-Y742 PolarHBondContact OE1-OH 3.1Å; Q718-Y742 VanDerWaalsContact OE1-OH 3.05Å
719F86.5Confident83.3Confident7.66667 Ų7.6666748.7 Ų48.73%0.03427%0.269CS..EExtended strand (participates in β ladder)trans-132.8148.2175.5-58-93.8000110V690 L713 S716 S717 I728 T729 T730 T731 L734 Y742 L744 V766V690-F719 HydrophobicContact CB-CE1 4.46Å; V690-F719 HydrophobicContact CG1-CD1 4.43Å; V690-F719 HydrophobicContact CG1-CE1 4.11Å; V690-F719 HydrophobicContact CG2-CD1 4.04Å; V690-F719 HydrophobicContact CG2-CE1 3.9Å; L713-F719 HydrophobicContact CD2-CB 4.23Å; L713-F719 WeakPolarHBondContact CD2-O 3.47Å; S716-F719 PolarHBondContact O-N 2.87Å; S716-F719 VanDerWaalsContact O-N 3.15Å; S717-F719 PolarHBondContact O-N 3.01Å; F719-I728 HydrophobicContact CB-CG2 4.2Å; F719-I728 HydrophobicContact CD1-CG2 3.95Å; F719-I728 HydrophobicContact CG-CG2 4.47Å; F719-T729 CarbonylContact C-O 3.52Å; F719-T729 VanDerWaalsContact CA-O 3.29Å; F719-T729 WeakPolarHBondContact CA-O 3.29Å; F719-T730 HydrophobicContact CD1-CG2 4.24Å; F719-T730 HydrophobicContact CE1-CG2 3.61Å; F719-T730 HydrophobicContact CZ-CG2 4.33Å; F719-T731 PolarHBondContact N-OG1 3.22Å; F719-L734 HydrophobicContact CE1-CD1 4.19Å; F719-L734 HydrophobicContact CE2-CD1 4.35Å; F719-L734 HydrophobicContact CZ-CD1 4.02Å; F719-L734 HydrophobicContact CZ-CD2 4.34Å; F719-Y742 AromaticContact CD2-CD1 4Å; F719-Y742 HydrophobicContact CD2-CD1 4Å; F719-Y742 HydrophobicContact CD2-CD2 4.44Å; F719-Y742 HydrophobicContact CD2-CE1 4.49Å; F719-Y742 AromaticContact CD2-CG 3.93Å; F719-Y742 HydrophobicContact CD2-CG 4.02Å; F719-Y742 AromaticContact CE2-CD1 3.47Å; F719-Y742 HydrophobicContact CE2-CD1 3.86Å; F719-Y742 VanDerWaalsContact CE2-CD1 3.47Å; F719-Y742 AromaticContact CE2-CD2 3.35Å; F719-Y742 HydrophobicContact CE2-CD2 3.35Å; F719-Y742 AromaticContact CE2-CE1 3.81Å; F719-Y742 HydrophobicContact CE2-CE1 3.81Å; F719-Y742 AromaticContact CE2-CE2 3.72Å; F719-Y742 HydrophobicContact CE2-CE2 3.92Å; F719-Y742 AromaticContact CE2-CG 3.49Å; F719-Y742 HydrophobicContact CE2-CG 3.49Å; F719-Y742 AromaticContact CE2-CZ 3.95Å; F719-Y742 AromaticContact CZ-CD2 3.7Å; F719-Y742 HydrophobicContact CZ-CD2 3.86Å; F719-Y742 AromaticContact CZ-CE2 4Å; F719-Y742 HydrophobicContact CZ-CE2 4.23Å; F719-Y742 AromaticContact CZ-CG 3.86Å; F719-Y742 HydrophobicContact CZ-CG 4.03Å; F719-L744 HydrophobicContact CB-CD1 3.82Å; F719-L744 HydrophobicContact CB-CD2 3.95Å; F719-L744 HydrophobicContact CB-CG 4.31Å; F719-L744 HydrophobicContact CD1-CD1 4.2Å; F719-L744 HydrophobicContact CD2-CD1 4.27Å; F719-L744 HydrophobicContact CD2-CD2 4.06Å; F719-L744 HydrophobicContact CD2-CG 4.39Å; F719-L744 HydrophobicContact CE2-CD2 4.45Å; F719-L744 HydrophobicContact CG-CD1 3.86Å; F719-L744 HydrophobicContact CG-CD2 4.15Å; F719-L744 HydrophobicContact CG-CG 4.45Å; F719-V766 HydrophobicContact CD1-CB 4.48Å; F719-V766 HydrophobicContact CD1-CG2 4.05Å; F719-V766 HydrophobicContact CD2-CG2 4.42Å; F719-V766 HydrophobicContact CE1-CB 3.93Å; F719-V766 HydrophobicContact CE1-CG1 3.73Å; F719-V766 HydrophobicContact CE1-CG2 3.8Å; F719-V766 VanDerWaalsContact CE1-CG2 3.45Å; F719-V766 HydrophobicContact CE2-CB 4.12Å; F719-V766 HydrophobicContact CE2-CG2 4.21Å; F719-V766 HydrophobicContact CG-CG2 4.27Å; F719-V766 HydrophobicContact CZ-CB 3.8Å; F719-V766 HydrophobicContact CZ-CG1 3.7Å; F719-V766 HydrophobicContact CZ-CG2 4.03Å
720R86.5Confident83.4Confident122.333 Ų122.33348.5 Ų48.546%0.46227%0.268SS..EExtended strand (participates in β ladder)trans-131150.417260.9-174.4175.8-145.2-1.1108.5I728 T729 T731R720-I728 CarbonylContact O-C 3.51Å; R720-I728 VanDerWaalsContact O-CA 3.26Å; R720-I728 WeakPolarHBondContact O-CA 3.32Å; R720-I728 WeakPolarHBondContact O-CG2 3.22Å; R720-T729 VanDerWaalsContact CG-OG1 3.29Å; R720-T729 WeakPolarHBondContact CG-OG1 3.29Å; R720-T729 PolarHBondContact N-O 2.8Å; R720-T729 PolarHBondContact NE-OG1 3.23Å; R720-T729 VanDerWaalsContact NE-OG1 3.14Å; R720-T729 PolarHBondContact NH2-OG1 2.91Å; R720-T729 PolarHBondContact O-N 3.13Å; R720-T731 HydrophobicContact CB-CG2 3.87Å; R720-T731 VanDerWaalsContact CB-CG2 3.4Å; R720-T731 HydrophobicContact CG-CG2 3.81Å
721I87.9Confident83.3Confident23.3333 Ų23.333347 Ų4712%0.1226%0.263CS..EExtended strand (participates in β ladder)trans-98.5140.9160-157.2168000109.1L693 Y711 L713 A723 E727 I728 V746L693-I721 HydrophobicContact CD1-CD1 3.9Å; L693-I721 HydrophobicContact CD1-CG1 4.47Å; Y711-I721 HydrophobicContact CG-CD1 4.29Å; L713-I721 HydrophobicContact CB-CB 3.8Å; L713-I721 HydrophobicContact CB-CD1 4.47Å; L713-I721 HydrophobicContact CB-CG2 3.54Å; L713-I721 VanDerWaalsContact CB-CG2 3.42Å; L713-I721 HydrophobicContact CD1-CB 3.97Å; L713-I721 HydrophobicContact CD2-CB 4.29Å; L713-I721 HydrophobicContact CG-CB 4.33Å; L713-I721 HydrophobicContact CG-CG2 4.5Å; I721-A723 PolarHBondContact O-N 3.26Å; I721-E727 CarbonylContact C-O 3.5Å; I721-E727 VanDerWaalsContact CA-O 3.24Å; I721-E727 WeakPolarHBondContact CA-O 3.41Å; I721-E727 WeakPolarHBondContact CG1-O 3.38Å; I721-I728 HydrophobicContact CB-CG1 4.39Å; I721-I728 HydrophobicContact CD1-CG1 4.18Å; I721-I728 HydrophobicContact CG1-CG1 4.09Å; I721-V746 HydrophobicContact CD1-CB 4.27Å; I721-V746 HydrophobicContact CD1-CG1 3.61Å; I721-V746 HydrophobicContact CD1-CG2 4.17Å
722N83.9Confident82.8Confident69.6667 Ų69.666748.5 Ų48.537%0.37328%0.275SS..  trans-73119.8163.6-176.6-39.8000108.7Y711 R724 S725 G726 E727Y711-N722 WeakPolarHBondContact CD2-O 3.41Å; N722-R724 PolarHBondContact O-N 2.99Å; N722-R724 VanDerWaalsContact O-N 3.1Å; N722-R724 PolarHBondContact OD1-N 2.85Å; N722-S725 VanDerWaalsContact CB-OG 3.25Å; N722-S725 WeakPolarHBondContact CB-OG 3.4Å; N722-S725 PolarHBondContact ND2-OG 3.25Å; N722-S725 VanDerWaalsContact ND2-OG 3.13Å; N722-S725 PolarHBondContact O-N 3.31Å; N722-S725 PolarHBondContact OD1-N 3.16Å; N722-G726 PolarHBondContact O-N 2.93Å; N722-G726 VanDerWaalsContact O-N 3.07Å; N722-E727 HydrophobicContact CB-CB 3.92Å; N722-E727 WeakPolarHBondContact CB-O 3.21Å; N722-E727 PolarHBondContact N-O 3.03Å
723A81.8Confident82.4Confident43 Ų4350.7 Ų50.736%0.35528%0.282SS..THydrogen-bonded Turntrans-62.9-14.7-176.500000114.5I710 Y711 I721I710-A723 CarbonylContact C-O 3.49Å; I710-A723 VanDerWaalsContact CA-O 3.32Å; I710-A723 WeakPolarHBondContact CA-O 3.43Å; I710-A723 HydrophobicContact CB-CB 4.36Å; I710-A723 HydrophobicContact CG1-CB 4.28Å; I710-A723 HydrophobicContact CG2-CB 4.17Å; Y711-A723 VanDerWaalsContact CD2-C 3.48Å; Y711-A723 WeakPolarHBondContact CD2-O 3.31Å; Y711-A723 PolarHBondContact N-O 2.92Å; Y711-A723 VanDerWaalsContact O-CA 3.25Å; Y711-A723 WeakPolarHBondContact O-CA 3.38Å; Y711-A723 VanDerWaalsContact O-CB 3.29Å; Y711-A723 WeakPolarHBondContact O-CB 3.35Å; I721-A723 PolarHBondContact O-N 3.26Å
724R80.2Confident82.2Confident146 Ų14648.7 Ų48.755%0.55127%0.271SS*.THydrogen-bonded Turntrans-110.8-38.2-179.8-67.4-76.4-113.9-155.22.6113.6E707 Y711 N722E707-R724 WeakPolarHBondContact O-CD 3.32Å; E707-R724 PolarHBondContact O-NE 2.88Å; E707-R724 PolarHBondContact O-NH1 2.88Å; E707-R724 PolarHBondContact O-NH2 2.75Å; E707-R724 IonicContact OE2-CZ 2.73Å; E707-R724 IonicContact OE2-NH2 3.35Å; E707-R724 PolarHBondContact OE2-NH2 3.3Å; Y711-R724 VanDerWaalsContact CE2-O 3.31Å; Y711-R724 WeakPolarHBondContact CE2-O 3.31Å; N722-R724 PolarHBondContact O-N 2.99Å; N722-R724 VanDerWaalsContact O-N 3.1Å; N722-R724 PolarHBondContact OD1-N 2.85Å
725S79.1Confident82.1Confident48 Ų4846.6 Ų46.634%0.33626%0.264SS..THydrogen-bonded Turntrans-97.8-6.7-176.5700000115L693 N722 E727L693-S725 VanDerWaalsContact O-O 3.07Å; N722-S725 VanDerWaalsContact CB-OG 3.25Å; N722-S725 WeakPolarHBondContact CB-OG 3.4Å; N722-S725 PolarHBondContact ND2-OG 3.25Å; N722-S725 VanDerWaalsContact ND2-OG 3.13Å; N722-S725 PolarHBondContact O-N 3.31Å; N722-S725 PolarHBondContact OD1-N 3.16Å; S725-E727 PolarHBondContact O-N 3.21Å; S725-E727 VanDerWaalsContact O-N 3.09Å; S725-E727 VanDerWaalsContact OG-CB 3.26Å; S725-E727 WeakPolarHBondContact OG-CB 3.36Å; S725-E727 PolarHBondContact OG-N 2.81Å
726G82.6Confident82.3Confident0 Ų047.2 Ų47.20%025%0.25CC..  trans65.48.3-175.700000114.2F692 L693 Y711 N722 I728F692-G726 CarbonylContact C-O 3.38Å; L693-G726 VanDerWaalsContact CB-O 3.25Å; L693-G726 WeakPolarHBondContact CB-O 3.34Å; L693-G726 PolarHBondContact N-O 2.96Å; L693-G726 WeakPolarHBondContact O-CA 3.48Å; Y711-G726 VanDerWaalsContact CD2-CA 3.41Å; N722-G726 PolarHBondContact O-N 2.93Å; N722-G726 VanDerWaalsContact O-N 3.07Å; G726-I728 PolarHBondContact O-N 3.04Å
727E86.4Confident82.2Confident37 Ų3750.4 Ų50.417%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-71.6121.2179.8-171.6-173.7-173.300111.1T689 L691 F692 I721 N722 S725 T729T689-E727 WeakPolarHBondContact CB-OE1 3.41Å; T689-E727 HydrophobicContact CG2-CG 3.99Å; T689-E727 WeakPolarHBondContact CG2-OE1 3.21Å; T689-E727 PolarHBondContact OG1-OE1 3.08Å; L691-E727 CarbonylContact O-C 3.5Å; L691-E727 WeakPolarHBondContact O-CA 3.46Å; L691-E727 WeakPolarHBondContact O-CG 3.28Å; F692-E727 HydrophobicContact CD1-CB 3.64Å; F692-E727 HydrophobicContact CD1-CG 3.79Å; F692-E727 HydrophobicContact CE1-CB 3.55Å; F692-E727 VanDerWaalsContact CE1-CB 3.49Å; F692-E727 VanDerWaalsContact CE1-CD 3.49Å; F692-E727 HydrophobicContact CE1-CG 3.44Å; F692-E727 VanDerWaalsContact CE1-CG 3.42Å; F692-E727 HydrophobicContact CE2-CG 4.33Å; F692-E727 HydrophobicContact CG-CB 4.45Å; F692-E727 HydrophobicContact CG-CG 4.33Å; F692-E727 HydrophobicContact CZ-CB 4.33Å; F692-E727 HydrophobicContact CZ-CG 3.82Å; F692-E727 VanDerWaalsContact CZ-OE1 3.25Å; F692-E727 WeakPolarHBondContact CZ-OE1 3.2Å; I721-E727 CarbonylContact C-O 3.5Å; I721-E727 VanDerWaalsContact CA-O 3.24Å; I721-E727 WeakPolarHBondContact CA-O 3.41Å; I721-E727 WeakPolarHBondContact CG1-O 3.38Å; N722-E727 HydrophobicContact CB-CB 3.92Å; N722-E727 WeakPolarHBondContact CB-O 3.21Å; N722-E727 PolarHBondContact N-O 3.03Å; S725-E727 PolarHBondContact O-N 3.21Å; S725-E727 VanDerWaalsContact O-N 3.09Å; S725-E727 VanDerWaalsContact OG-CB 3.26Å; S725-E727 WeakPolarHBondContact OG-CB 3.36Å; S725-E727 PolarHBondContact OG-N 2.81Å; E727-T729 HydrophobicContact CG-CG2 3.91Å; E727-T729 WeakPolarHBondContact OE1-CG2 3.21Å
728I88Confident82Confident0 Ų050.5 Ų50.50%026%0.258CS..EExtended strand (participates in β ladder)trans-87122.7166-59.3-176.4000108.2V690 L691 L693 L713 F719 R720 I721 G726 L744 V746 V764V690-I728 WeakPolarHBondContact CA-O 3.5Å; V690-I728 HydrophobicContact CB-CB 4.41Å; V690-I728 HydrophobicContact CB-CG2 4.13Å; V690-I728 VanDerWaalsContact CB-O 3.26Å; V690-I728 WeakPolarHBondContact CB-O 3.37Å; V690-I728 HydrophobicContact CG1-CG2 4.35Å; V690-I728 PolarHBondContact N-O 2.93Å; L691-I728 HydrophobicContact CB-CB 4.33Å; L691-I728 PolarHBondContact N-O 3.17Å; L691-I728 VanDerWaalsContact N-O 3.12Å; L691-I728 PolarHBondContact O-N 2.73Å; L693-I728 HydrophobicContact CD1-CD1 3.76Å; L693-I728 HydrophobicContact CD1-CG1 4.18Å; L693-I728 HydrophobicContact CG-CD1 4.47Å; L713-I728 HydrophobicContact CD1-CD1 4Å; L713-I728 HydrophobicContact CD1-CG1 4.27Å; F719-I728 HydrophobicContact CB-CG2 4.2Å; F719-I728 HydrophobicContact CD1-CG2 3.95Å; F719-I728 HydrophobicContact CG-CG2 4.47Å; R720-I728 CarbonylContact O-C 3.51Å; R720-I728 VanDerWaalsContact O-CA 3.26Å; R720-I728 WeakPolarHBondContact O-CA 3.32Å; R720-I728 WeakPolarHBondContact O-CG2 3.22Å; I721-I728 HydrophobicContact CB-CG1 4.39Å; I721-I728 HydrophobicContact CD1-CG1 4.18Å; I721-I728 HydrophobicContact CG1-CG1 4.09Å; G726-I728 PolarHBondContact O-N 3.04Å; I728-L744 HydrophobicContact CD1-CD1 4.21Å; I728-L744 HydrophobicContact CG2-CD1 3.99Å; I728-V746 HydrophobicContact CD1-CG2 4.14Å; I728-V764 HydrophobicContact CD1-CB 4.1Å; I728-V764 HydrophobicContact CD1-CG1 4.17Å; I728-V764 HydrophobicContact CD1-CG2 3.64Å
729T85.2Confident81.7Confident7.66667 Ų7.6666753.2 Ų53.25%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-120156173.651.10000110.8G687 A688 F719 R720 E727G687-T729 WeakPolarHBondContact O-CB 3.27Å; G687-T729 WeakPolarHBondContact O-CG2 3.33Å; A688-T729 CarbonylContact O-C 3.59Å; A688-T729 VanDerWaalsContact O-CA 3.26Å; A688-T729 WeakPolarHBondContact O-CA 3.36Å; A688-T729 VanDerWaalsContact O-CB 3.32Å; A688-T729 WeakPolarHBondContact O-CB 3.3Å; F719-T729 CarbonylContact C-O 3.52Å; F719-T729 VanDerWaalsContact CA-O 3.29Å; F719-T729 WeakPolarHBondContact CA-O 3.29Å; R720-T729 VanDerWaalsContact CG-OG1 3.29Å; R720-T729 WeakPolarHBondContact CG-OG1 3.29Å; R720-T729 PolarHBondContact N-O 2.8Å; R720-T729 PolarHBondContact NE-OG1 3.23Å; R720-T729 VanDerWaalsContact NE-OG1 3.14Å; R720-T729 PolarHBondContact NH2-OG1 2.91Å; R720-T729 PolarHBondContact O-N 3.13Å; E727-T729 HydrophobicContact CG-CG2 3.91Å; E727-T729 WeakPolarHBondContact OE1-CG2 3.21Å
730T84.5Confident81.2Confident0 Ų056.1 Ų56.10%029%0.29CS..EExtended strand (participates in β ladder)trans-64.5149.4164.262.50000109.8I684 M685 A686 G687 A688 V690 Q718 F719 L734I684-T730 HydrophobicContact CG2-CG2 4.34Å; M685-T730 PolarHBondContact O-OG1 3.15Å; M685-T730 VanDerWaalsContact O-OG1 3.05Å; A686-T730 WeakPolarHBondContact CA-OG1 3.41Å; G687-T730 VanDerWaalsContact CA-O 3.31Å; G687-T730 WeakPolarHBondContact CA-O 3.25Å; G687-T730 PolarHBondContact N-O 2.96Å; G687-T730 PolarHBondContact N-OG1 2.96Å; A688-T730 PolarHBondContact N-OG1 2.82Å; A688-T730 VanDerWaalsContact N-OG1 3.15Å; A688-T730 PolarHBondContact O-N 2.91Å; A688-T730 PolarHBondContact O-OG1 2.97Å; V690-T730 HydrophobicContact CG2-CG2 3.65Å; Q718-T730 CarbonylContact O-C 3.52Å; Q718-T730 WeakPolarHBondContact O-CA 3.34Å; F719-T730 HydrophobicContact CD1-CG2 4.24Å; F719-T730 HydrophobicContact CE1-CG2 3.61Å; F719-T730 HydrophobicContact CZ-CG2 4.33Å; T730-L734 HydrophobicContact CG2-CD1 3.47Å; T730-L734 HydrophobicContact CG2-CG 4.15Å
731T78.8Confident81Confident51.6667 Ų51.666755.8 Ų55.832%0.31729%0.294SS..SBendtrans-106.6-22.2174.358.40000113.1S717 Q718 F719 R720S717-T731 PolarHBondContact O-OG1 3.16Å; Q718-T731 VanDerWaalsContact CA-OG1 3.31Å; Q718-T731 WeakPolarHBondContact CA-OG1 3.29Å; Q718-T731 PolarHBondContact O-N 2.9Å; Q718-T731 PolarHBondContact O-OG1 2.95Å; Q718-T731 VanDerWaalsContact O-OG1 3.13Å; F719-T731 PolarHBondContact N-OG1 3.22Å; R720-T731 HydrophobicContact CB-CG2 3.87Å; R720-T731 VanDerWaalsContact CB-CG2 3.4Å; R720-T731 HydrophobicContact CG-CG2 3.81Å
732S75.9Confident80.8Confident41 Ų4155.5 Ų55.529%0.28729%0.291SS..SBendtrans-129.2168.4176.970.60000110.1A686 Q718 L734A686-S732 WeakPolarHBondContact CA-O 3.32Å; A686-S732 VanDerWaalsContact CB-C 3.48Å; Q718-S732 PolarHBondContact NE2-OG 3.14Å; S732-L734 PolarHBondContact O-N 2.82Å
733L76.4Confident80.8Confident99 Ų9957.4 Ų57.452%0.51830%0.3SS..  trans-57.7147.3157.4-68.9164.2000109.1A686 D735A686-L733 HydrophobicContact CB-CD2 4.19Å; A686-L733 HydrophobicContact CB-CG 4.25Å; L733-D735 VanDerWaalsContact C-N 3.31Å; L733-D735 PolarHBondContact O-N 2.83Å
734L81.3Confident81Confident1.66667 Ų1.6666755.5 Ų55.51%0.00928%0.284CS..  trans-110.4105.8-179.5-58.9179.5000109.5V680 E682 N683 I684 Q718 F719 T730 S732 R736 Y742 L768V680-L734 HydrophobicContact CG2-CD1 3.93Å; E682-L734 CarbonylContact C-O 3.47Å; E682-L734 WeakPolarHBondContact CA-O 3.1Å; E682-L734 VanDerWaalsContact CB-O 3.27Å; E682-L734 WeakPolarHBondContact CB-O 3.31Å; E682-L734 PolarHBondContact O-N 3.1Å; N683-L734 WeakPolarHBondContact CA-O 3.48Å; N683-L734 PolarHBondContact N-O 2.79Å; I684-L734 HydrophobicContact CG2-CB 4.02Å; I684-L734 HydrophobicContact CG2-CD1 3.75Å; I684-L734 HydrophobicContact CG2-CG 4.11Å; Q718-L734 HydrophobicContact CB-CD2 4.04Å; Q718-L734 HydrophobicContact CG-CD2 4.44Å; F719-L734 HydrophobicContact CE1-CD1 4.19Å; F719-L734 HydrophobicContact CE2-CD1 4.35Å; F719-L734 HydrophobicContact CZ-CD1 4.02Å; F719-L734 HydrophobicContact CZ-CD2 4.34Å; T730-L734 HydrophobicContact CG2-CD1 3.47Å; T730-L734 HydrophobicContact CG2-CG 4.15Å; S732-L734 PolarHBondContact O-N 2.82Å; L734-R736 PolarHBondContact O-N 2.98Å; L734-Y742 HydrophobicContact CD2-CE2 3.89Å; L734-L768 HydrophobicContact CB-CB 4.45Å; L734-L768 HydrophobicContact CB-CD1 3.86Å; L734-L768 HydrophobicContact CB-CD2 3.83Å; L734-L768 HydrophobicContact CB-CG 4.02Å; L734-L768 HydrophobicContact CD1-CD2 3.68Å; L734-L768 HydrophobicContact CD2-CD1 4.23Å; L734-L768 HydrophobicContact CD2-CD2 3.91Å; L734-L768 HydrophobicContact CG-CD1 4.4Å; L734-L768 HydrophobicContact CG-CD2 3.72Å; L734-L768 VanDerWaalsContact O-CD1 3.32Å; L734-L768 WeakPolarHBondContact O-CD1 3.46Å
735D78.7Confident81.2Confident57 Ų5751.9 Ų51.931%0.30528%0.275SS..  trans-100.3119.8-174.5166.632.2000109.7E682 L733 E737 T738 K739 L768E682-D735 VanDerWaalsContact OE2-CA 3.29Å; E682-D735 WeakPolarHBondContact OE2-CA 3.27Å; L733-D735 VanDerWaalsContact C-N 3.31Å; L733-D735 PolarHBondContact O-N 2.83Å; D735-E737 VanDerWaalsContact OD1-CA 3.28Å; D735-E737 WeakPolarHBondContact OD1-CA 3.36Å; D735-E737 VanDerWaalsContact OD1-CB 3.26Å; D735-E737 WeakPolarHBondContact OD1-CB 3.2Å; D735-E737 PolarHBondContact OD1-N 3.28Å; D735-T738 VanDerWaalsContact CG-OG1 3.29Å; D735-T738 PolarHBondContact O-N 3.02Å; D735-T738 WeakPolarHBondContact OD1-CB 3.37Å; D735-T738 PolarHBondContact OD1-N 2.79Å; D735-T738 WeakPolarHBondContact OD2-CA 3.35Å; D735-T738 WeakPolarHBondContact OD2-CB 3.38Å; D735-T738 PolarHBondContact OD2-N 3.03Å; D735-T738 PolarHBondContact OD2-OG1 3.07Å; D735-K739 CarbonylContact O-C 3.59Å; D735-K739 PolarHBondContact O-N 3.27Å; D735-L768 WeakPolarHBondContact O-CD1 3.3Å
736R83.6Confident81.7Confident66.3333 Ų66.333349.6 Ų49.625%0.2526%0.259SS..THydrogen-bonded Turntrans-78.3-30.6-175.6-170.5-160.557.951.2-6.3111.7E682 L734 T738 K739 L768 D770 L807E682-R736 HydrophobicContact CB-CB 4.23Å; E682-R736 VanDerWaalsContact CD-CB 3.49Å; E682-R736 HydrophobicContact CG-CB 4.38Å; E682-R736 WeakPolarHBondContact OE1-CB 3.27Å; E682-R736 IonicContact OE1-CZ 3.94Å; E682-R736 IonicContact OE1-NE 2.72Å; E682-R736 PolarHBondContact OE1-NE 2.82Å; E682-R736 VanDerWaalsContact OE1-NE 3.15Å; E682-R736 WeakPolarHBondContact OE2-CA 3.21Å; E682-R736 WeakPolarHBondContact OE2-CB 3.25Å; E682-R736 PolarHBondContact OE2-N 3.02Å; L734-R736 PolarHBondContact O-N 2.98Å; R736-T738 PolarHBondContact O-N 3.1Å; R736-K739 PolarHBondContact O-N 2.77Å; R736-L768 HydrophobicContact CB-CB 4.43Å; R736-L768 HydrophobicContact CB-CD1 4.37Å; R736-L768 HydrophobicContact CG-CB 4.35Å; R736-D770 IonicContact CZ-OD1 3.31Å; R736-D770 VanDerWaalsContact CZ-OD1 3.29Å; R736-D770 IonicContact NE-OD1 3.23Å; R736-D770 PolarHBondContact NE-OD1 3.09Å; R736-D770 VanDerWaalsContact NE-OD1 3.15Å; R736-D770 IonicContact NH2-OD1 2.79Å; R736-D770 PolarHBondContact NH2-OD1 3.24Å; R736-L807 VanDerWaalsContact NH2-N 3.18Å
737E78.9Confident81.9Confident95.6667 Ų95.666754.8 Ų54.845%0.44728%0.279SS..THydrogen-bonded Turntrans-62.7-30171.6-68.521.8-96.100110.5D735 P805D735-E737 VanDerWaalsContact OD1-CA 3.28Å; D735-E737 WeakPolarHBondContact OD1-CA 3.36Å; D735-E737 VanDerWaalsContact OD1-CB 3.26Å; D735-E737 WeakPolarHBondContact OD1-CB 3.2Å; D735-E737 PolarHBondContact OD1-N 3.28Å; E737-P805 HydrophobicContact CB-CB 4.49Å; E737-P805 HydrophobicContact CG-CB 3.9Å; E737-P805 HydrophobicContact CG-CG 4.22Å
738T75.2Confident81.9Confident107.333 Ų107.33353.1 Ų53.166%0.65827%0.271SS*.THydrogen-bonded Turntrans-86.9-54.4172.9-660000113.9D735 R736D735-T738 VanDerWaalsContact CG-OG1 3.29Å; D735-T738 PolarHBondContact O-N 3.02Å; D735-T738 WeakPolarHBondContact OD1-CB 3.37Å; D735-T738 PolarHBondContact OD1-N 2.79Å; D735-T738 WeakPolarHBondContact OD2-CA 3.35Å; D735-T738 WeakPolarHBondContact OD2-CB 3.38Å; D735-T738 PolarHBondContact OD2-N 3.03Å; D735-T738 PolarHBondContact OD2-OG1 3.07Å; R736-T738 PolarHBondContact O-N 3.1Å
739K74.7Confident81.8Confident93 Ų9354.6 Ų54.640%0.40428%0.28SS..  trans-164.9141.8-174.2-170.1179.7168.9-158.80116S716 D735 R736 E741 Y742 L768S716-K739 PolarHBondContact OG-NZ 2.91Å; S716-K739 VanDerWaalsContact OG-NZ 3.09Å; D735-K739 CarbonylContact O-C 3.59Å; D735-K739 PolarHBondContact O-N 3.27Å; R736-K739 PolarHBondContact O-N 2.77Å; K739-E741 WeakPolarHBondContact CE-O 3.45Å; K739-E741 PolarHBondContact NZ-O 2.95Å; K739-Y742 WeakPolarHBondContact CB-OH 3.49Å; K739-Y742 HydrophobicContact CD-CD1 4.39Å; K739-Y742 HydrophobicContact CD-CE1 3.77Å; K739-Y742 HydrophobicContact CG-CE1 4.16Å; K739-Y742 WeakPolarHBondContact CG-OH 3.29Å; K739-Y742 VanDerWaalsContact NZ-CE1 3.29Å; K739-Y742 PolarHBondContact O-OH 2.96Å; K739-L768 VanDerWaalsContact O-CD1 3.25Å; K739-L768 WeakPolarHBondContact O-CD1 3.23Å
740S76.3Confident81.6Confident67.6667 Ų67.666754.3 Ų54.347%0.47328%0.278SS..  trans-113.5-7.5-168.854.90000120.9T767 L768S740-T767 VanDerWaalsContact O-CA 3.27Å; S740-T767 WeakPolarHBondContact O-CA 3.29Å; S740-L768 WeakPolarHBondContact O-CG 3.49Å; S740-L768 PolarHBondContact O-N 3.03Å
741E81.7Confident80.9Confident116.667 Ų116.66755.4 Ų55.455%0.54529%0.29SS..EExtended strand (participates in β ladder)trans-151.2150.1-176.5-141.9179.9-173.400116.5K739 V766 T767K739-E741 WeakPolarHBondContact CE-O 3.45Å; K739-E741 PolarHBondContact NZ-O 2.95Å; E741-V766 CarbonylContact C-O 3.31Å; E741-V766 WeakPolarHBondContact CA-O 3.31Å; E741-V766 WeakPolarHBondContact CG-O 3.25Å; E741-T767 HydrophobicContact CB-CG2 4.2Å; E741-T767 HydrophobicContact CG-CG2 3.9Å; E741-T767 WeakPolarHBondContact OE1-CG2 3.22Å
742Y84.5Confident80.6Confident17 Ų1753 Ų537%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-148.6156.5-173.6-53.5-84000117.1S716 Q718 F719 L734 K739 N765 V766 L768S716-Y742 VanDerWaalsContact OG-CD1 3.25Å; S716-Y742 WeakPolarHBondContact OG-CD1 3.43Å; Q718-Y742 HydrophobicContact CB-CD1 4.33Å; Q718-Y742 HydrophobicContact CB-CE1 4.08Å; Q718-Y742 VanDerWaalsContact CD-OH 3.23Å; Q718-Y742 HydrophobicContact CG-CE1 4.16Å; Q718-Y742 PolarHBondContact NE2-OH 2.89Å; Q718-Y742 VanDerWaalsContact NE2-OH 3.14Å; Q718-Y742 VanDerWaalsContact OE1-CE1 3.25Å; Q718-Y742 PolarHBondContact OE1-OH 3.1Å; Q718-Y742 VanDerWaalsContact OE1-OH 3.05Å; F719-Y742 AromaticContact CD2-CD1 4Å; F719-Y742 HydrophobicContact CD2-CD1 4Å; F719-Y742 HydrophobicContact CD2-CD2 4.44Å; F719-Y742 HydrophobicContact CD2-CE1 4.49Å; F719-Y742 AromaticContact CD2-CG 3.93Å; F719-Y742 HydrophobicContact CD2-CG 4.02Å; F719-Y742 AromaticContact CE2-CD1 3.47Å; F719-Y742 HydrophobicContact CE2-CD1 3.86Å; F719-Y742 VanDerWaalsContact CE2-CD1 3.47Å; F719-Y742 AromaticContact CE2-CD2 3.35Å; F719-Y742 HydrophobicContact CE2-CD2 3.35Å; F719-Y742 AromaticContact CE2-CE1 3.81Å; F719-Y742 HydrophobicContact CE2-CE1 3.81Å; F719-Y742 AromaticContact CE2-CE2 3.72Å; F719-Y742 HydrophobicContact CE2-CE2 3.92Å; F719-Y742 AromaticContact CE2-CG 3.49Å; F719-Y742 HydrophobicContact CE2-CG 3.49Å; F719-Y742 AromaticContact CE2-CZ 3.95Å; F719-Y742 AromaticContact CZ-CD2 3.7Å; F719-Y742 HydrophobicContact CZ-CD2 3.86Å; F719-Y742 AromaticContact CZ-CE2 4Å; F719-Y742 HydrophobicContact CZ-CE2 4.23Å; F719-Y742 AromaticContact CZ-CG 3.86Å; F719-Y742 HydrophobicContact CZ-CG 4.03Å; L734-Y742 HydrophobicContact CD2-CE2 3.89Å; K739-Y742 WeakPolarHBondContact CB-OH 3.49Å; K739-Y742 HydrophobicContact CD-CD1 4.39Å; K739-Y742 HydrophobicContact CD-CE1 3.77Å; K739-Y742 HydrophobicContact CG-CE1 4.16Å; K739-Y742 WeakPolarHBondContact CG-OH 3.29Å; K739-Y742 VanDerWaalsContact NZ-CE1 3.29Å; K739-Y742 PolarHBondContact O-OH 2.96Å; Y742-N765 CarbonylContact O-C 3.51Å; Y742-N765 VanDerWaalsContact O-CA 3.25Å; Y742-N765 WeakPolarHBondContact O-CA 3.29Å; Y742-V766 HydrophobicContact CD2-CB 4.43Å; Y742-V766 PolarHBondContact N-O 2.98Å; Y742-V766 PolarHBondContact O-N 3.3Å; Y742-L768 HydrophobicContact CD2-CD2 4.36Å; Y742-L768 HydrophobicContact CE2-CD1 3.88Å; Y742-L768 VanDerWaalsContact CE2-CD1 3.42Å; Y742-L768 HydrophobicContact CE2-CD2 4.03Å; Y742-L768 HydrophobicContact CE2-CG 3.9Å; Y742-L768 VanDerWaalsContact OH-CD1 3.31Å; Y742-L768 WeakPolarHBondContact OH-CD1 3.4Å
743I83.3Confident80.1Confident110.333 Ų110.33355 Ų5557%0.56629%0.286SS*.EExtended strand (participates in β ladder)trans-141.9143.1180-59.2179.1000111.9S716 V764 N765S716-I743 PolarHBondContact N-O 2.74Å; I743-V764 CarbonylContact C-O 3.45Å; I743-V764 VanDerWaalsContact CA-O 3.24Å; I743-V764 WeakPolarHBondContact CA-O 3.25Å; I743-N765 HydrophobicContact CG1-CB 4.47Å
744L85.9Confident79.7Confident3 Ų352.8 Ų52.82%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-144.8154.1-170.4-43.8167.5000114.6L713 E714 F719 I728 T763 V764 V766L713-L744 HydrophobicContact CD1-CB 4.07Å; L713-L744 HydrophobicContact CD1-CD1 4.17Å; L713-L744 HydrophobicContact CD1-CD2 4.48Å; L713-L744 HydrophobicContact CD1-CG 4.34Å; L713-L744 HydrophobicContact CD2-CB 4.33Å; L713-L744 HydrophobicContact CD2-CD1 4.18Å; L713-L744 HydrophobicContact CD2-CD2 4.17Å; L713-L744 HydrophobicContact CD2-CG 4.39Å; L713-L744 HydrophobicContact CG-CB 4.31Å; E714-L744 CarbonylContact O-C 3.57Å; E714-L744 WeakPolarHBondContact O-CA 3.47Å; F719-L744 HydrophobicContact CB-CD1 3.82Å; F719-L744 HydrophobicContact CB-CD2 3.95Å; F719-L744 HydrophobicContact CB-CG 4.31Å; F719-L744 HydrophobicContact CD1-CD1 4.2Å; F719-L744 HydrophobicContact CD2-CD1 4.27Å; F719-L744 HydrophobicContact CD2-CD2 4.06Å; F719-L744 HydrophobicContact CD2-CG 4.39Å; F719-L744 HydrophobicContact CE2-CD2 4.45Å; F719-L744 HydrophobicContact CG-CD1 3.86Å; F719-L744 HydrophobicContact CG-CD2 4.15Å; F719-L744 HydrophobicContact CG-CG 4.45Å; I728-L744 HydrophobicContact CD1-CD1 4.21Å; I728-L744 HydrophobicContact CG2-CD1 3.99Å; L744-T763 CarbonylContact O-C 3.57Å; L744-T763 VanDerWaalsContact O-CA 3.28Å; L744-T763 WeakPolarHBondContact O-CA 3.42Å; L744-T763 VanDerWaalsContact O-CB 3.31Å; L744-T763 WeakPolarHBondContact O-CB 3.09Å; L744-V764 VanDerWaalsContact CA-O 3.29Å; L744-V764 WeakPolarHBondContact CA-O 3.39Å; L744-V764 HydrophobicContact CB-CB 4.27Å; L744-V764 WeakPolarHBondContact CB-O 3.22Å; L744-V764 HydrophobicContact CD1-CB 4.32Å; L744-V764 HydrophobicContact CD1-CG1 4.37Å; L744-V764 WeakPolarHBondContact CG-O 3.11Å; L744-V764 PolarHBondContact N-O 3.1Å; L744-V764 PolarHBondContact O-N 2.97Å; L744-V766 HydrophobicContact CD1-CG2 4.36Å
745I85.3Confident79.2Confident69 Ų6960.5 Ų60.535%0.35432%0.322SS..EExtended strand (participates in β ladder)trans-126147.8175.4-51.9174.4000110.5L713 E714 I761 A762 T763L713-I745 CarbonylContact C-O 3.55Å; L713-I745 VanDerWaalsContact CA-O 3.27Å; L713-I745 WeakPolarHBondContact CA-O 3.4Å; L713-I745 WeakPolarHBondContact CD1-O 3.36Å; L713-I745 VanDerWaalsContact CG-O 3.23Å; L713-I745 WeakPolarHBondContact CG-O 3.28Å; E714-I745 HydrophobicContact CB-CB 4.25Å; E714-I745 HydrophobicContact CG-CB 4.4Å; E714-I745 PolarHBondContact N-O 2.8Å; E714-I745 WeakPolarHBondContact O-CA 3.29Å; E714-I745 VanDerWaalsContact O-CB 3.3Å; E714-I745 WeakPolarHBondContact O-CB 3.41Å; E714-I745 PolarHBondContact O-N 3.05Å; I745-I761 HydrophobicContact CG2-CG2 4.32Å; I745-A762 CarbonylContact C-O 3.38Å; I745-A762 WeakPolarHBondContact CA-O 3.45Å; I745-A762 WeakPolarHBondContact CG2-O 3.34Å; I745-T763 HydrophobicContact CB-CG2 4.21Å; I745-T763 HydrophobicContact CG1-CG2 4.19Å; I745-T763 HydrophobicContact CG2-CG2 4.29Å
746V88.1Confident78.5Confident0 Ų060.9 Ų60.90%032%0.324CS..EExtended strand (participates in β ladder)trans-134.3149.5-174.5-150.20000112.9F671 L693 S712 L713 I721 I728 I761 A762F671-V746 HydrophobicContact CE1-CG1 4.15Å; F671-V746 HydrophobicContact CE1-CG2 4.33Å; F671-V746 HydrophobicContact CZ-CB 4.4Å; F671-V746 HydrophobicContact CZ-CG1 3.86Å; F671-V746 HydrophobicContact CZ-CG2 4.08Å; L693-V746 HydrophobicContact CD1-CB 4.14Å; L693-V746 HydrophobicContact CD1-CG1 3.82Å; L693-V746 HydrophobicContact CD1-CG2 3.76Å; S712-V746 CarbonylContact O-C 3.54Å; S712-V746 VanDerWaalsContact O-CA 3.25Å; S712-V746 WeakPolarHBondContact O-CA 3.4Å; S712-V746 WeakPolarHBondContact O-CG1 3.5Å; L713-V746 HydrophobicContact CB-CG1 4.24Å; L713-V746 HydrophobicContact CD1-CG1 4.18Å; L713-V746 HydrophobicContact CD1-CG2 3.64Å; L713-V746 HydrophobicContact CG-CG1 4.35Å; I721-V746 HydrophobicContact CD1-CB 4.27Å; I721-V746 HydrophobicContact CD1-CG1 3.61Å; I721-V746 HydrophobicContact CD1-CG2 4.17Å; I728-V746 HydrophobicContact CD1-CG2 4.14Å; V746-I761 CarbonylContact O-C 3.57Å; V746-I761 VanDerWaalsContact O-CA 3.28Å; V746-I761 WeakPolarHBondContact O-CA 3.37Å; V746-I761 WeakPolarHBondContact O-CG2 3.43Å; V746-A762 HydrophobicContact CB-CB 3.78Å; V746-A762 HydrophobicContact CG1-CB 4.07Å; V746-A762 HydrophobicContact CG2-CB 4.02Å; V746-A762 WeakPolarHBondContact CG2-O 3.36Å; V746-A762 PolarHBondContact N-O 2.91Å; V746-A762 PolarHBondContact O-N 3.23Å; V746-A762 VanDerWaalsContact O-O 3.06Å
747R88.3Confident78.1Confident109.333 Ų109.33361.7 Ų61.741%0.41333%0.331SS..EExtended strand (participates in β ladder)trans-137.5163.4175.3-47.7-175.3-170.1-168.15.4112.3Y711 S712 E714 G760 I761Y711-R747 CarbonylContact C-O 3.35Å; Y711-R747 WeakPolarHBondContact CA-O 3.4Å; Y711-R747 WeakPolarHBondContact CB-O 3.46Å; S712-R747 PolarHBondContact N-O 3.08Å; S712-R747 PolarHBondContact O-N 3.02Å; S712-R747 WeakPolarHBondContact OG-CB 3.3Å; E714-R747 IonicContact OE1-NH2 2.75Å; E714-R747 PolarHBondContact OE1-NH2 2.75Å; E714-R747 IonicContact OE2-CZ 3.77Å; E714-R747 IonicContact OE2-NE 3.6Å; E714-R747 PolarHBondContact OE2-NE 3.12Å; E714-R747 IonicContact OE2-NH2 3.29Å; E714-R747 PolarHBondContact OE2-NH2 3.06Å; R747-G760 CarbonylContact C-O 3.52Å; R747-G760 VanDerWaalsContact CA-O 3.23Å; R747-G760 WeakPolarHBondContact CA-O 3.4Å; R747-G760 WeakPolarHBondContact CB-O 3.45Å; R747-I761 HydrophobicContact CB-CG1 4.34Å; R747-I761 HydrophobicContact CG-CG1 4.26Å; R747-I761 HydrophobicContact CG-CG2 4.33Å
748A85.9Confident77.9Confident1 Ų159.8 Ų59.81%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-139.7140174.900000110.7P669 F671 A695 I709 I710 Y711 T759 G760P669-A748 HydrophobicContact CB-CB 4.2Å; F671-A748 HydrophobicContact CD2-CB 4.04Å; F671-A748 HydrophobicContact CE1-CB 4.38Å; F671-A748 HydrophobicContact CE2-CB 3.59Å; F671-A748 VanDerWaalsContact CE2-CB 3.4Å; F671-A748 HydrophobicContact CZ-CB 3.68Å; A695-A748 HydrophobicContact CB-CB 3.88Å; I709-A748 HydrophobicContact CG2-CB 3.97Å; I710-A748 CarbonylContact O-C 3.56Å; I710-A748 VanDerWaalsContact O-CA 3.32Å; I710-A748 WeakPolarHBondContact O-CA 3.3Å; Y711-A748 HydrophobicContact CD1-CB 3.98Å; Y711-A748 HydrophobicContact CE1-CB 4.13Å; A748-T759 CarbonylContact O-C 3.57Å; A748-T759 VanDerWaalsContact O-C 3.31Å; A748-T759 VanDerWaalsContact O-CA 3.24Å; A748-T759 WeakPolarHBondContact O-CA 3.2Å; A748-T759 WeakPolarHBondContact O-CB 3.33Å; A748-T759 WeakPolarHBondContact O-CG2 3.46Å; A748-G760 PolarHBondContact N-O 3Å; A748-G760 PolarHBondContact O-N 3.15Å
749V85.4Confident78.2Confident32.6667 Ų32.666758.9 Ų58.920%0.19832%0.316CS..EExtended strand (participates in β ladder)trans-140.1155.3178.5-53.30000111.2I709 I710 Q757 K758 T759I709-V749 CarbonylContact C-O 3.55Å; I709-V749 VanDerWaalsContact CA-O 3.28Å; I709-V749 WeakPolarHBondContact CA-O 3.39Å; I710-V749 HydrophobicContact CB-CG2 4.01Å; I710-V749 HydrophobicContact CG2-CG2 3.89Å; I710-V749 PolarHBondContact N-O 2.85Å; I710-V749 VanDerWaalsContact N-O 3.15Å; I710-V749 PolarHBondContact O-N 3.15Å; V749-Q757 HydrophobicContact CB-CG 4.43Å; V749-K758 CarbonylContact C-O 3.39Å; V749-K758 WeakPolarHBondContact CA-O 3.46Å; V749-T759 HydrophobicContact CB-CG2 4.05Å; V749-T759 HydrophobicContact CG1-CG2 3.71Å
750D81.2Confident78.6Confident1.33333 Ų1.3333355.3 Ų55.31%0.00731%0.305CS..  trans-87.9175.2170.860.936.7000112.8P669 S708 G752 Q757 K758P669-D750 HydrophobicContact CG-CB 3.96Å; S708-D750 VanDerWaalsContact OG-CA 3.27Å; S708-D750 WeakPolarHBondContact OG-CA 3.33Å; S708-D750 WeakPolarHBondContact OG-CB 3.43Å; D750-G752 VanDerWaalsContact C-N 3.27Å; D750-G752 PolarHBondContact O-N 2.99Å; D750-G752 VanDerWaalsContact OD1-CA 3.23Å; D750-G752 WeakPolarHBondContact OD1-CA 3.36Å; D750-G752 PolarHBondContact OD1-N 2.81Å; D750-Q757 PolarHBondContact O-NE2 2.86Å; D750-Q757 VanDerWaalsContact O-NE2 3.09Å; D750-Q757 VanDerWaalsContact OD1-CA 3.23Å; D750-Q757 WeakPolarHBondContact OD1-CA 3.36Å; D750-Q757 VanDerWaalsContact OD1-CG 3.29Å; D750-Q757 WeakPolarHBondContact OD1-CG 3.34Å; D750-K758 VanDerWaalsContact CG-N 3.3Å; D750-K758 PolarHBondContact N-O 3.06Å; D750-K758 VanDerWaalsContact N-O 3.08Å; D750-K758 PolarHBondContact OD1-N 2.85Å; D750-K758 VanDerWaalsContact OD2-C 3.27Å; D750-K758 WeakPolarHBondContact OD2-CA 3.4Å; D750-K758 WeakPolarHBondContact OD2-CB 3.39Å; D750-K758 WeakPolarHBondContact OD2-CD 3.5Å; D750-K758 WeakPolarHBondContact OD2-CE 2.97Å; D750-K758 WeakPolarHBondContact OD2-CG 3.41Å; D750-K758 PolarHBondContact OD2-N 3Å; D750-K758 IonicContact OD2-NZ 2.65Å; D750-K758 PolarHBondContact OD2-NZ 3.14Å
751G70.2Confident79Confident23.3333 Ų23.333357.3 Ų57.324%0.24131%0.309CS..SBendtrans-75.73.6174.700000115.2N665 E703 S708N665-G751 PolarHBondContact ND2-O 3.35Å; E703-G751 CarbonylContact O-C 3.6Å; E703-G751 WeakPolarHBondContact O-CA 3.41Å; E703-G751 PolarHBondContact O-N 2.99Å; S708-G751 VanDerWaalsContact CB-N 3.29Å; S708-G751 PolarHBondContact OG-N 2.86Å; S708-G751 VanDerWaalsContact OG-N 3.08Å
752G71.5Confident79.1Confident1.33333 Ų1.3333352 Ų521%0.01429%0.285CS..  trans-60.7150.2176.300000112.6N665 E703 D750 N756 Q757N665-G752 WeakPolarHBondContact ND2-CA 3.35Å; N665-G752 PolarHBondContact ND2-N 3.1Å; E703-G752 PolarHBondContact O-N 2.79Å; D750-G752 VanDerWaalsContact C-N 3.27Å; D750-G752 PolarHBondContact O-N 2.99Å; D750-G752 VanDerWaalsContact OD1-CA 3.23Å; D750-G752 WeakPolarHBondContact OD1-CA 3.36Å; D750-G752 PolarHBondContact OD1-N 2.81Å; G752-N756 CarbonylContact C-O 3.49Å; G752-N756 VanDerWaalsContact CA-O 3.26Å; G752-N756 WeakPolarHBondContact CA-O 3.41Å; G752-Q757 VanDerWaalsContact C-CB 3.44Å; G752-Q757 VanDerWaalsContact O-CB 3.26Å; G752-Q757 WeakPolarHBondContact O-CB 3.29Å; G752-Q757 WeakPolarHBondContact O-CG 3.31Å; G752-Q757 PolarHBondContact O-NE2 3.3Å; G752-Q757 VanDerWaalsContact O-NE2 3.12Å
753V65.9Low79.2Confident83.3333 Ų83.333353.6 Ų53.651%0.50530%0.297SS..  trans-112.6112.3-170.9179.50000110.8Y704 H755 N756 Q757Y704-V753 HydrophobicContact CE1-CG2 4.4Å; V753-H755 PolarHBondContact O-N 2.93Å; V753-H755 VanDerWaalsContact O-N 3.17Å; V753-N756 HydrophobicContact CB-CB 4.38Å; V753-N756 PolarHBondContact N-O 2.93Å; V753-N756 WeakPolarHBondContact O-CB 3.29Å; V753-N756 PolarHBondContact O-N 2.92Å; V753-Q757 VanDerWaalsContact N-N 3.19Å
754G68.8Low79.4Confident52.6667 Ų52.666748.4 Ų48.454%0.54327%0.27SS..G310 helixtrans68.9-99.6174.900000114N756 Q757G754-N756 VanDerWaalsContact C-N 3.28Å; G754-N756 PolarHBondContact O-N 3.19Å; G754-Q757 VanDerWaalsContact O-CB 3.31Å; G754-Q757 WeakPolarHBondContact O-CB 3.34Å; G754-Q757 PolarHBondContact O-N 2.96Å
755H69Low79.4Confident163 Ų16350.2 Ų50.276%0.75528%0.28SS*.G310 helixtrans-83.7-12.3179.666.3-83.5000113.6V753V753-H755 PolarHBondContact O-N 2.93Å; V753-H755 VanDerWaalsContact O-N 3.17Å
756N64.8Low79.4Confident64.3333 Ų64.333347 Ų4734%0.34426%0.263SS..G310 helixtrans-95.12.4174.3-64.76.2000112.8N665 G752 V753 G754 K758N665-N756 PolarHBondContact OD1-O 3.06Å; G752-N756 CarbonylContact C-O 3.49Å; G752-N756 VanDerWaalsContact CA-O 3.26Å; G752-N756 WeakPolarHBondContact CA-O 3.41Å; V753-N756 HydrophobicContact CB-CB 4.38Å; V753-N756 PolarHBondContact N-O 2.93Å; V753-N756 WeakPolarHBondContact O-CB 3.29Å; V753-N756 PolarHBondContact O-N 2.92Å; G754-N756 VanDerWaalsContact C-N 3.28Å; G754-N756 PolarHBondContact O-N 3.19Å; N756-K758 WeakPolarHBondContact O-CE 3.25Å; N756-K758 PolarHBondContact O-NZ 3.43Å
757Q75.2Confident79.1Confident83.3333 Ų83.333349.2 Ų49.239%0.38928%0.277SS..  trans-88.8140.8-179.6-160171.637.900112.6V749 D750 G752 V753 G754 T759V749-Q757 HydrophobicContact CB-CG 4.43Å; D750-Q757 PolarHBondContact O-NE2 2.86Å; D750-Q757 VanDerWaalsContact O-NE2 3.09Å; D750-Q757 VanDerWaalsContact OD1-CA 3.23Å; D750-Q757 WeakPolarHBondContact OD1-CA 3.36Å; D750-Q757 VanDerWaalsContact OD1-CG 3.29Å; D750-Q757 WeakPolarHBondContact OD1-CG 3.34Å; G752-Q757 VanDerWaalsContact C-CB 3.44Å; G752-Q757 VanDerWaalsContact O-CB 3.26Å; G752-Q757 WeakPolarHBondContact O-CB 3.29Å; G752-Q757 WeakPolarHBondContact O-CG 3.31Å; G752-Q757 PolarHBondContact O-NE2 3.3Å; G752-Q757 VanDerWaalsContact O-NE2 3.12Å; V753-Q757 VanDerWaalsContact N-N 3.19Å; G754-Q757 VanDerWaalsContact O-CB 3.31Å; G754-Q757 WeakPolarHBondContact O-CB 3.34Å; G754-Q757 PolarHBondContact O-N 2.96Å; Q757-T759 HydrophobicContact CG-CG2 4.31Å
758K75.6Confident78.9Confident55.6667 Ų55.666744.7 Ų44.724%0.24226%0.261CS..  trans-130.2156-176.2-31.3-115-170.599.20110.7N665 D666 N667 P668 V749 D750 N756N665-K758 WeakPolarHBondContact OD1-CE 3.38Å; N665-K758 PolarHBondContact OD1-NZ 3.04Å; N665-K758 VanDerWaalsContact OD1-NZ 3.07Å; D666-K758 WeakPolarHBondContact O-CE 3.29Å; D666-K758 PolarHBondContact O-NZ 3.1Å; N667-K758 WeakPolarHBondContact O-CE 3.46Å; N667-K758 WeakPolarHBondContact O-CG 3.45Å; N667-K758 PolarHBondContact O-NZ 2.97Å; P668-K758 HydrophobicContact CB-CB 3.73Å; P668-K758 HydrophobicContact CB-CD 3.9Å; P668-K758 HydrophobicContact CB-CG 3.8Å; P668-K758 HydrophobicContact CG-CD 4.19Å; V749-K758 CarbonylContact C-O 3.39Å; V749-K758 WeakPolarHBondContact CA-O 3.46Å; D750-K758 VanDerWaalsContact CG-N 3.3Å; D750-K758 PolarHBondContact N-O 3.06Å; D750-K758 VanDerWaalsContact N-O 3.08Å; D750-K758 PolarHBondContact OD1-N 2.85Å; D750-K758 VanDerWaalsContact OD2-C 3.27Å; D750-K758 WeakPolarHBondContact OD2-CA 3.4Å; D750-K758 WeakPolarHBondContact OD2-CB 3.39Å; D750-K758 WeakPolarHBondContact OD2-CD 3.5Å; D750-K758 WeakPolarHBondContact OD2-CE 2.97Å; D750-K758 WeakPolarHBondContact OD2-CG 3.41Å; D750-K758 PolarHBondContact OD2-N 3Å; D750-K758 IonicContact OD2-NZ 2.65Å; D750-K758 PolarHBondContact OD2-NZ 3.14Å; N756-K758 WeakPolarHBondContact O-CE 3.25Å; N756-K758 PolarHBondContact O-NZ 3.43Å
759T81.5Confident78.4Confident89.3333 Ų89.333349.3 Ų49.355%0.54829%0.285SS..EExtended strand (participates in β ladder)trans-154.3154.6-162.440.70000117.3A748 V749 Q757A748-T759 CarbonylContact O-C 3.57Å; A748-T759 VanDerWaalsContact O-C 3.31Å; A748-T759 VanDerWaalsContact O-CA 3.24Å; A748-T759 WeakPolarHBondContact O-CA 3.2Å; A748-T759 WeakPolarHBondContact O-CB 3.33Å; A748-T759 WeakPolarHBondContact O-CG2 3.46Å; V749-T759 HydrophobicContact CB-CG2 4.05Å; V749-T759 HydrophobicContact CG1-CG2 3.71Å; Q757-T759 HydrophobicContact CG-CG2 4.31Å
760G81.6Confident78.1Confident17 Ų1751.1 Ų51.118%0.17529%0.293CS..EExtended strand (participates in β ladder)trans-142.2169.6175.300000116.7P669 F671 R747 A748P669-G760 WeakPolarHBondContact O-CA 3.2Å; F671-G760 WeakPolarHBondContact CE2-O 3.3Å; R747-G760 CarbonylContact C-O 3.52Å; R747-G760 VanDerWaalsContact CA-O 3.23Å; R747-G760 WeakPolarHBondContact CA-O 3.4Å; R747-G760 WeakPolarHBondContact CB-O 3.45Å; A748-G760 PolarHBondContact N-O 3Å; A748-G760 PolarHBondContact O-N 3.15Å
761I85.6Confident78Confident110.667 Ų110.66754.4 Ų54.457%0.56831%0.31SS*.EExtended strand (participates in β ladder)trans-147.4147.5-170-53.3-178.1000115.5F671 I745 V746 R747F671-I761 VanDerWaalsContact CD2-N 3.33Å; I745-I761 HydrophobicContact CG2-CG2 4.32Å; V746-I761 CarbonylContact O-C 3.57Å; V746-I761 VanDerWaalsContact O-CA 3.28Å; V746-I761 WeakPolarHBondContact O-CA 3.37Å; V746-I761 WeakPolarHBondContact O-CG2 3.43Å; R747-I761 HydrophobicContact CB-CG1 4.34Å; R747-I761 HydrophobicContact CG-CG1 4.26Å; R747-I761 HydrophobicContact CG-CG2 4.33Å
762A84.2Confident78.5Confident4.33333 Ų4.3333354.8 Ų54.84%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-156-176.7171.300000116F671 K673 P674 Y676 L693 I745 V746F671-A762 HydrophobicContact CB-CB 3.91Å; F671-A762 HydrophobicContact CD1-CB 4.15Å; F671-A762 HydrophobicContact CD2-CB 4.13Å; F671-A762 HydrophobicContact CE2-CB 4.37Å; F671-A762 HydrophobicContact CG-CB 4.09Å; K673-A762 VanDerWaalsContact O-CB 3.32Å; K673-A762 WeakPolarHBondContact O-CB 3.07Å; P674-A762 VanDerWaalsContact O-CA 3.24Å; P674-A762 WeakPolarHBondContact O-CA 3.41Å; P674-A762 WeakPolarHBondContact O-CB 3.43Å; Y676-A762 HydrophobicContact CE2-CB 4.13Å; L693-A762 HydrophobicContact CD1-CB 4.48Å; I745-A762 CarbonylContact C-O 3.38Å; I745-A762 WeakPolarHBondContact CA-O 3.45Å; I745-A762 WeakPolarHBondContact CG2-O 3.34Å; V746-A762 HydrophobicContact CB-CB 3.78Å; V746-A762 HydrophobicContact CG1-CB 4.07Å; V746-A762 HydrophobicContact CG2-CB 4.02Å; V746-A762 WeakPolarHBondContact CG2-O 3.36Å; V746-A762 PolarHBondContact N-O 2.91Å; V746-A762 PolarHBondContact O-N 3.23Å; V746-A762 VanDerWaalsContact O-O 3.06Å
763T86.3Confident78.8Confident51.3333 Ų51.333358 Ų5832%0.31532%0.324SS..EExtended strand (participates in β ladder)trans-144.9156.5-179.160.20000117.7P674 A675 Y676 L744 I745P674-T763 PolarHBondContact O-N 3.09Å; P674-T763 PolarHBondContact O-OG1 2.67Å; A675-T763 CarbonylContact C-O 3.57Å; A675-T763 VanDerWaalsContact CA-O 3.27Å; A675-T763 WeakPolarHBondContact CA-O 3.32Å; A675-T763 VanDerWaalsContact CB-OG1 3.29Å; A675-T763 WeakPolarHBondContact CB-OG1 3.24Å; Y676-T763 WeakPolarHBondContact CD2-O 3.29Å; Y676-T763 PolarHBondContact N-O 3.13Å; L744-T763 CarbonylContact O-C 3.57Å; L744-T763 VanDerWaalsContact O-CA 3.28Å; L744-T763 WeakPolarHBondContact O-CA 3.42Å; L744-T763 VanDerWaalsContact O-CB 3.31Å; L744-T763 WeakPolarHBondContact O-CB 3.09Å; I745-T763 HydrophobicContact CB-CG2 4.21Å; I745-T763 HydrophobicContact CG1-CG2 4.19Å; I745-T763 HydrophobicContact CG2-CG2 4.29Å
764V87.1Confident79.3Confident1 Ų157 Ų571%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-148.5144.4-175.4-172.40000115.3Y676 L691 L693 I728 I743 L744Y676-V764 HydrophobicContact CD2-CG2 4.16Å; Y676-V764 HydrophobicContact CG-CG2 4.41Å; Y676-V764 CarbonylContact O-C 2.97Å; Y676-V764 VanDerWaalsContact O-CA 3.31Å; Y676-V764 WeakPolarHBondContact O-CA 3.34Å; L691-V764 HydrophobicContact CD2-CB 4.41Å; L691-V764 HydrophobicContact CD2-CG1 3.86Å; L691-V764 HydrophobicContact CD2-CG2 3.73Å; L693-V764 HydrophobicContact CD1-CG2 4.24Å; L693-V764 HydrophobicContact CD2-CG2 4.35Å; I728-V764 HydrophobicContact CD1-CB 4.1Å; I728-V764 HydrophobicContact CD1-CG1 4.17Å; I728-V764 HydrophobicContact CD1-CG2 3.64Å; I743-V764 CarbonylContact C-O 3.45Å; I743-V764 VanDerWaalsContact CA-O 3.24Å; I743-V764 WeakPolarHBondContact CA-O 3.25Å; L744-V764 VanDerWaalsContact CA-O 3.29Å; L744-V764 WeakPolarHBondContact CA-O 3.39Å; L744-V764 HydrophobicContact CB-CB 4.27Å; L744-V764 WeakPolarHBondContact CB-O 3.22Å; L744-V764 HydrophobicContact CD1-CB 4.32Å; L744-V764 HydrophobicContact CD1-CG1 4.37Å; L744-V764 WeakPolarHBondContact CG-O 3.11Å; L744-V764 PolarHBondContact N-O 3.1Å; L744-V764 PolarHBondContact O-N 2.97Å
765N85.4Confident79.9Confident40.3333 Ų40.333358.4 Ų58.422%0.21631%0.308CS..EExtended strand (participates in β ladder)trans-126.8149176.2-66.719.2000114.7Y676 F677 V678 Y742 I743Y676-N765 PolarHBondContact O-N 3.06Å; F677-N765 CarbonylContact C-O 3.6Å; F677-N765 WeakPolarHBondContact CA-O 3.32Å; F677-N765 HydrophobicContact CD1-CB 3.99Å; F677-N765 HydrophobicContact CE1-CB 4.22Å; F677-N765 HydrophobicContact CG-CB 4.41Å; V678-N765 VanDerWaalsContact CG1-O 3.23Å; V678-N765 WeakPolarHBondContact CG1-O 3.47Å; V678-N765 PolarHBondContact N-O 3.26Å; V678-N765 VanDerWaalsContact N-O 3.14Å; Y742-N765 CarbonylContact O-C 3.51Å; Y742-N765 VanDerWaalsContact O-CA 3.25Å; Y742-N765 WeakPolarHBondContact O-CA 3.29Å; I743-N765 HydrophobicContact CG1-CB 4.47Å
766V86Confident80.7Confident1.33333 Ų1.3333350.7 Ų50.71%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-142.8144.1-173.2-165.10000115.1V678 V680 V690 F719 E741 Y742 L744V678-V766 HydrophobicContact CG1-CB 4.12Å; V678-V766 HydrophobicContact CG1-CG1 3.96Å; V678-V766 HydrophobicContact CG1-CG2 3.78Å; V678-V766 CarbonylContact O-C 3.56Å; V678-V766 VanDerWaalsContact O-CA 3.31Å; V678-V766 WeakPolarHBondContact O-CA 3.37Å; V680-V766 HydrophobicContact CG1-CG1 4.41Å; V680-V766 HydrophobicContact CG2-CG1 3.9Å; V690-V766 HydrophobicContact CG1-CG1 4.32Å; V690-V766 HydrophobicContact CG1-CG2 3.9Å; F719-V766 HydrophobicContact CD1-CB 4.48Å; F719-V766 HydrophobicContact CD1-CG2 4.05Å; F719-V766 HydrophobicContact CD2-CG2 4.42Å; F719-V766 HydrophobicContact CE1-CB 3.93Å; F719-V766 HydrophobicContact CE1-CG1 3.73Å; F719-V766 HydrophobicContact CE1-CG2 3.8Å; F719-V766 VanDerWaalsContact CE1-CG2 3.45Å; F719-V766 HydrophobicContact CE2-CB 4.12Å; F719-V766 HydrophobicContact CE2-CG2 4.21Å; F719-V766 HydrophobicContact CG-CG2 4.27Å; F719-V766 HydrophobicContact CZ-CB 3.8Å; F719-V766 HydrophobicContact CZ-CG1 3.7Å; F719-V766 HydrophobicContact CZ-CG2 4.03Å; E741-V766 CarbonylContact C-O 3.31Å; E741-V766 WeakPolarHBondContact CA-O 3.31Å; E741-V766 WeakPolarHBondContact CG-O 3.25Å; Y742-V766 HydrophobicContact CD2-CB 4.43Å; Y742-V766 PolarHBondContact N-O 2.98Å; Y742-V766 PolarHBondContact O-N 3.3Å; L744-V766 HydrophobicContact CD1-CG2 4.36Å
767T81.1Confident81.5Confident46.3333 Ų46.333351.2 Ų51.228%0.28428%0.278SS..EExtended strand (participates in β ladder)trans-136159.4175.757.40000115.4V678 S679 V680 S740 E741V678-T767 PolarHBondContact O-N 2.94Å; V678-T767 PolarHBondContact O-OG1 3.49Å; S679-T767 CarbonylContact C-O 3.58Å; S679-T767 WeakPolarHBondContact CA-O 3.44Å; S679-T767 WeakPolarHBondContact CB-OG1 2.91Å; S679-T767 PolarHBondContact OG-OG1 3.19Å; V680-T767 WeakPolarHBondContact CA-O 3.44Å; V680-T767 WeakPolarHBondContact CG2-O 3.24Å; V680-T767 PolarHBondContact N-O 3.1Å; S740-T767 VanDerWaalsContact O-CA 3.27Å; S740-T767 WeakPolarHBondContact O-CA 3.29Å; E741-T767 HydrophobicContact CB-CG2 4.2Å; E741-T767 HydrophobicContact CG-CG2 3.9Å; E741-T767 WeakPolarHBondContact OE1-CG2 3.22Å
768L83.6Confident82.1Confident16 Ų1649 Ų498%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-117.2160.7-171.2-52.5-173.9000117.5V680 L734 D735 R736 K739 S740 Y742V680-L768 HydrophobicContact CB-CD2 4.31Å; V680-L768 HydrophobicContact CG2-CD2 3.56Å; V680-L768 VanDerWaalsContact CG2-CD2 3.42Å; V680-L768 CarbonylContact O-C 3.5Å; V680-L768 VanDerWaalsContact O-CA 3.3Å; V680-L768 WeakPolarHBondContact O-CA 3.27Å; L734-L768 HydrophobicContact CB-CB 4.45Å; L734-L768 HydrophobicContact CB-CD1 3.86Å; L734-L768 HydrophobicContact CB-CD2 3.83Å; L734-L768 HydrophobicContact CB-CG 4.02Å; L734-L768 HydrophobicContact CD1-CD2 3.68Å; L734-L768 HydrophobicContact CD2-CD1 4.23Å; L734-L768 HydrophobicContact CD2-CD2 3.91Å; L734-L768 HydrophobicContact CG-CD1 4.4Å; L734-L768 HydrophobicContact CG-CD2 3.72Å; L734-L768 VanDerWaalsContact O-CD1 3.32Å; L734-L768 WeakPolarHBondContact O-CD1 3.46Å; D735-L768 WeakPolarHBondContact O-CD1 3.3Å; R736-L768 HydrophobicContact CB-CB 4.43Å; R736-L768 HydrophobicContact CB-CD1 4.37Å; R736-L768 HydrophobicContact CG-CB 4.35Å; K739-L768 VanDerWaalsContact O-CD1 3.25Å; K739-L768 WeakPolarHBondContact O-CD1 3.23Å; S740-L768 WeakPolarHBondContact O-CG 3.49Å; S740-L768 PolarHBondContact O-N 3.03Å; Y742-L768 HydrophobicContact CD2-CD2 4.36Å; Y742-L768 HydrophobicContact CE2-CD1 3.88Å; Y742-L768 VanDerWaalsContact CE2-CD1 3.42Å; Y742-L768 HydrophobicContact CE2-CD2 4.03Å; Y742-L768 HydrophobicContact CE2-CG 3.9Å; Y742-L768 VanDerWaalsContact OH-CD1 3.31Å; Y742-L768 WeakPolarHBondContact OH-CD1 3.4Å
769L76.3Confident82.1Confident95.6667 Ų95.666752.5 Ų52.550%0.50128%0.281SS..EExtended strand (participates in β ladder)trans-143.8138.9178.2-64.2175.8000115.9V680 L681 E682V680-L769 PolarHBondContact O-N 2.92Å; V680-L769 VanDerWaalsContact O-N 3.08Å; L681-L769 CarbonylContact C-O 3.5Å; L681-L769 HydrophobicContact CD2-CB 4.1Å; L681-L769 HydrophobicContact CD2-CD1 4.46Å; L681-L769 WeakPolarHBondContact CD2-O 3.4Å; E682-L769 WeakPolarHBondContact CG-O 3.26Å; E682-L769 VanDerWaalsContact N-N 3.18Å; E682-L769 PolarHBondContact N-O 2.78Å; E682-L769 VanDerWaalsContact N-O 3.13Å
770D78.7Confident81.8Confident71.3333 Ų71.333352.7 Ų52.738%0.38128%0.279SS..  trans-50.2136.1175.2-159.759.3000120.4E682 R736 L807 N810E682-D770 WeakPolarHBondContact OE1-CA 3.35Å; E682-D770 PolarHBondContact OE1-N 2.91Å; R736-D770 IonicContact CZ-OD1 3.31Å; R736-D770 VanDerWaalsContact CZ-OD1 3.29Å; R736-D770 IonicContact NE-OD1 3.23Å; R736-D770 PolarHBondContact NE-OD1 3.09Å; R736-D770 VanDerWaalsContact NE-OD1 3.15Å; R736-D770 IonicContact NH2-OD1 2.79Å; R736-D770 PolarHBondContact NH2-OD1 3.24Å; D770-L807 HydrophobicContact CB-CB 4.41Å; D770-L807 WeakPolarHBondContact OD1-CB 3.49Å; D770-L807 PolarHBondContact OD1-N 3.07Å; D770-L807 VanDerWaalsContact OD1-N 3.14Å; D770-N810 PolarHBondContact OD2-ND2 3.07Å
771I79Confident81.4Confident71 Ų7154 Ų5436%0.36429%0.288SS..  trans-149.1159174.8-81.4172000114.2L681 E682 N683 D773L681-I771 HydrophobicContact CB-CD1 4.32Å; L681-I771 HydrophobicContact CD2-CD1 4.35Å; L681-I771 HydrophobicContact CD2-CG1 4.3Å; E682-I771 HydrophobicContact CG-CB 4.27Å; E682-I771 HydrophobicContact CG-CD1 3.94Å; E682-I771 HydrophobicContact CG-CG1 4Å; E682-I771 WeakPolarHBondContact O-CD1 3.35Å; E682-I771 PolarHBondContact OE1-N 2.93Å; N683-I771 HydrophobicContact CB-CB 4.01Å; N683-I771 HydrophobicContact CB-CD1 3.64Å; N683-I771 HydrophobicContact CB-CG1 4.44Å; N683-I771 HydrophobicContact CB-CG2 3.79Å; N683-I771 WeakPolarHBondContact ND2-CD1 2.98Å; I771-D773 HydrophobicContact CG2-CB 4.35Å; I771-D773 PolarHBondContact O-N 2.82Å; I771-D773 VanDerWaalsContact O-N 3.1Å
772N81Confident81Confident32 Ų3252 Ų5217%0.17128%0.282CS..  trans-86.3101.5172.3-179.988.2000111.4D806 N810 D862 P866 L868N772-D806 WeakPolarHBondContact CA-OD2 3.36Å; N772-D806 PolarHBondContact OD1-OD2 2.91Å; N772-N810 HydrophobicContact CB-CB 4.14Å; N772-N810 WeakPolarHBondContact CB-ND2 3.36Å; N772-N810 PolarHBondContact N-ND2 3.05Å; N772-N810 WeakPolarHBondContact OD1-CA 3.29Å; N772-N810 WeakPolarHBondContact OD1-CB 3.23Å; N772-N810 PolarHBondContact OD1-ND2 2.83Å; N772-N810 VanDerWaalsContact OD1-ND2 3.08Å; N772-N810 PolarHBondContact OD1-O 2.68Å; N772-N810 PolarHBondContact OD1-OD1 3.13Å; N772-D862 PolarHBondContact ND2-OD2 3.34Å; N772-P866 PolarHBondContact ND2-O 3.15Å; N772-L868 VanDerWaalsContact ND2-CD1 3.27Å; N772-L868 WeakPolarHBondContact ND2-CD1 3.31Å; N772-L868 WeakPolarHBondContact ND2-CG 3.36Å
773D78Confident81Confident68.6667 Ų68.666753.3 Ų53.337%0.36729%0.286SS..  trans-136.2-3.3-17680-16.5000116.6N683 I771 D806N683-D773 PolarHBondContact ND2-OD2 2.79Å; I771-D773 HydrophobicContact CG2-CB 4.35Å; I771-D773 PolarHBondContact O-N 2.82Å; I771-D773 VanDerWaalsContact O-N 3.1Å; D773-D806 PolarHBondContact N-OD2 2.92Å; D773-D806 VanDerWaalsContact N-OD2 3.16Å
774N76.9Confident80.9Confident60.6667 Ų60.666759.1 Ų59.132%0.32430%0.304SS..  trans-94.3148.5177.5-67.3-84.2000113P805 D806 L868N774-P805 HydrophobicContact CB-CG 3.49Å; N774-P805 VanDerWaalsContact CB-CG 3.42Å; N774-D806 HydrophobicContact CB-CB 4.38Å; N774-D806 VanDerWaalsContact CB-OD1 3.26Å; N774-D806 WeakPolarHBondContact CB-OD1 3.46Å; N774-D806 PolarHBondContact N-OD2 2.93Å; N774-D806 VanDerWaalsContact N-OD2 3.08Å; N774-D806 PolarHBondContact ND2-OD1 3.06Å; N774-L868 WeakPolarHBondContact O-CD1 3.36Å
775H80.6Confident80.9Confident82.3333 Ų82.333361.6 Ų61.638%0.38132%0.316SS..  trans-108149.5-176.1-79.4-115.6000112.6T777 D804 K869 T871H775-T777 PolarHBondContact O-N 3.14Å; H775-D804 VanDerWaalsContact C-OD2 3.24Å; H775-K869 PolarHBondContact ND1-O 2.81Å; H775-T871 HydrophobicContact CB-CG2 4.04Å
776P85.9Confident80.9Confident1 Ų164.9 Ų64.91%0.00633%0.334CS..  trans-57.7143.2171-28.935.5000114V803 D804 L813 V860 D862 A870P776-V803 CarbonylContact C-O 3.55Å; P776-V803 WeakPolarHBondContact CA-O 3.3Å; P776-D804 WeakPolarHBondContact CA-OD2 3.36Å; P776-D804 VanDerWaalsContact CD-OD2 3.28Å; P776-D804 WeakPolarHBondContact CD-OD2 3.16Å; P776-D804 HydrophobicContact CG-CB 4.39Å; P776-D804 VanDerWaalsContact CG-OD2 3.3Å; P776-D804 WeakPolarHBondContact CG-OD2 3.27Å; P776-D804 VanDerWaalsContact N-OD2 3.13Å; P776-L813 HydrophobicContact CB-CD2 3.73Å; P776-L813 HydrophobicContact CG-CD2 3.63Å; P776-V860 HydrophobicContact CB-CG1 3.94Å; P776-D862 WeakPolarHBondContact CD-OD2 3.42Å; P776-D862 HydrophobicContact CG-CB 3.95Å; P776-D862 WeakPolarHBondContact CG-OD2 3.09Å; P776-A870 HydrophobicContact CB-CB 4.29Å; P776-A870 WeakPolarHBondContact O-CA 3.35Å; P776-A870 VanDerWaalsContact O-CB 3.24Å; P776-A870 WeakPolarHBondContact O-CB 3.31Å
777T82.2Confident80.9Confident76.3333 Ų76.333365.9 Ų65.947%0.46834%0.34SS..EExtended strand (participates in β ladder)trans-130.4139.1-176.755.80000112.8H775 A802 V803H775-T777 PolarHBondContact O-N 3.14Å; T777-A802 CarbonylContact O-C 3.55Å; T777-A802 VanDerWaalsContact O-CA 3.22Å; T777-A802 WeakPolarHBondContact O-CA 3.34Å; T777-A802 VanDerWaalsContact O-CB 3.23Å; T777-A802 WeakPolarHBondContact O-CB 3.22Å; T777-V803 PolarHBondContact N-O 2.87Å; T777-V803 PolarHBondContact O-N 3.02Å; T777-V803 WeakPolarHBondContact OG1-CG2 3.19Å; T777-V803 PolarHBondContact OG1-O 3.02Å; T777-V803 VanDerWaalsContact OG1-O 3.12Å
778W86.7Confident81Confident37.3333 Ų37.333367 Ų6714%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-80148.4179.6-67.3104.1000113A781 V800 V801 A802 Y815 V858 V860 S872 A874W778-A781 HydrophobicContact CB-CB 4.11Å; W778-A781 HydrophobicContact CG-CB 4.44Å; W778-V800 HydrophobicContact CE3-CB 4.39Å; W778-V800 HydrophobicContact CH2-CB 4.44Å; W778-V800 HydrophobicContact CH2-CG2 4.06Å; W778-V800 HydrophobicContact CZ3-CB 4.02Å; W778-V800 HydrophobicContact CZ3-CG2 3.85Å; W778-V801 VanDerWaalsContact CE3-O 3.29Å; W778-A802 HydrophobicContact CD2-CB 4.44Å; W778-A802 HydrophobicContact CE3-CB 4.05Å; W778-A802 HydrophobicContact CZ3-CB 4.37Å; W778-Y815 HydrophobicContact CE3-CE1 4.43Å; W778-Y815 AromaticContact CH2-CD1 3.75Å; W778-Y815 HydrophobicContact CH2-CD1 3.86Å; W778-Y815 AromaticContact CH2-CE1 4Å; W778-Y815 HydrophobicContact CH2-CE1 4.22Å; W778-Y815 AromaticContact CZ3-CD1 3.72Å; W778-Y815 HydrophobicContact CZ3-CD1 3.82Å; W778-Y815 AromaticContact CZ3-CE1 3.75Å; W778-Y815 HydrophobicContact CZ3-CE1 3.75Å; W778-V858 HydrophobicContact CH2-CB 4.22Å; W778-V858 HydrophobicContact CH2-CG1 4.05Å; W778-V858 VanDerWaalsContact CZ2-O 3.25Å; W778-V858 WeakPolarHBondContact CZ2-O 3.34Å; W778-V860 HydrophobicContact CD2-CG1 4.27Å; W778-V860 HydrophobicContact CH2-CB 3.85Å; W778-V860 HydrophobicContact CH2-CG1 3.99Å; W778-V860 HydrophobicContact CZ2-CB 3.84Å; W778-V860 HydrophobicContact CZ2-CG1 3.6Å; W778-V860 HydrophobicContact CZ3-CB 4.47Å; W778-V860 HydrophobicContact CZ3-CG1 4.46Å; W778-S872 PolarHBondContact NE1-O 2.79Å; W778-A874 HydrophobicContact CD2-CB 3.88Å; W778-A874 HydrophobicContact CE3-CB 3.97Å; W778-A874 HydrophobicContact CG-CB 4.27Å; W778-A874 HydrophobicContact CH2-CB 4.2Å; W778-A874 HydrophobicContact CZ2-CB 4.1Å; W778-A874 HydrophobicContact CZ3-CB 4.14Å
779K77Confident81Confident129 Ų12966.8 Ų66.856%0.56135%0.345SS*.SBendtrans-101.5-55.7178.3-167.4-175165.9-143.80113.6A781 Y783 V801K779-A781 VanDerWaalsContact C-N 3.31Å; K779-A781 PolarHBondContact O-N 2.89Å; K779-Y783 PolarHBondContact O-OH 2.85Å; K779-V801 HydrophobicContact CB-CB 4.38Å; K779-V801 HydrophobicContact CB-CG1 4.45Å; K779-V801 HydrophobicContact CD-CG1 4.35Å; K779-V801 PolarHBondContact N-O 3.09Å
780D73.7Confident81.2Confident93 Ų9366.4 Ų66.450%0.49734%0.341SS..SBendtrans-140.526.8-173-52.8-58.7000114.5Y783D780-Y783 HydrophobicContact CB-CE1 3.94Å; D780-Y783 VanDerWaalsContact O-CE1 3.26Å; D780-Y783 WeakPolarHBondContact O-CE1 3.38Å; D780-Y783 WeakPolarHBondContact O-CE2 3.28Å; D780-Y783 VanDerWaalsContact O-CZ 3.29Å; D780-Y783 PolarHBondContact O-OH 3.1Å
781A74.8Confident81.5Confident44.6667 Ų44.666764.3 Ų64.337%0.36933%0.331SS..  trans-88.7147.2179.200000112.8W778 K779 Y783 A874W778-A781 HydrophobicContact CB-CB 4.11Å; W778-A781 HydrophobicContact CG-CB 4.44Å; K779-A781 VanDerWaalsContact C-N 3.31Å; K779-A781 PolarHBondContact O-N 2.89Å; A781-Y783 HydrophobicContact CB-CD2 4.29Å; A781-Y783 HydrophobicContact CB-CE2 4Å; A781-A874 HydrophobicContact CB-CB 3.75Å
782P76.7Confident81.6Confident69 Ų6965 Ų6545%0.44834%0.34SS..SBendcis-90.3169.5-0.437.1-36000114.3Y784 T875 F877P782-Y784 HydrophobicContact CG-CE2 4.17Å; P782-T875 CarbonylContact C-O 3.35Å; P782-T875 VanDerWaalsContact CA-O 3.3Å; P782-T875 WeakPolarHBondContact CA-O 3.35Å; P782-T875 VanDerWaalsContact CB-O 3.28Å; P782-T875 WeakPolarHBondContact CB-O 3.44Å; P782-F877 HydrophobicContact CB-CE2 4.25Å
783Y84.3Confident81.8Confident30 Ų3066.2 Ų66.212%0.11835%0.35CS..EExtended strand (participates in β ladder)trans-116.2153.6-172.6-53.4-94.3000112.5K779 D780 A781 V800 V801 A874 T875 V876 F877K779-Y783 PolarHBondContact O-OH 2.85Å; D780-Y783 HydrophobicContact CB-CE1 3.94Å; D780-Y783 VanDerWaalsContact O-CE1 3.26Å; D780-Y783 WeakPolarHBondContact O-CE1 3.38Å; D780-Y783 WeakPolarHBondContact O-CE2 3.28Å; D780-Y783 VanDerWaalsContact O-CZ 3.29Å; D780-Y783 PolarHBondContact O-OH 3.1Å; A781-Y783 HydrophobicContact CB-CD2 4.29Å; A781-Y783 HydrophobicContact CB-CE2 4Å; Y783-V800 HydrophobicContact CD2-CG1 4.01Å; Y783-V800 HydrophobicContact CE1-CG1 4.45Å; Y783-V800 HydrophobicContact CE2-CB 4.11Å; Y783-V800 HydrophobicContact CE2-CG1 3.55Å; Y783-V800 VanDerWaalsContact CE2-CG1 3.47Å; Y783-V801 PolarHBondContact OH-N 3.26Å; Y783-V801 VanDerWaalsContact OH-N 3.17Å; Y783-A874 HydrophobicContact CD2-CB 4.43Å; Y783-A874 HydrophobicContact CE2-CB 4.22Å; Y783-T875 PolarHBondContact N-O 2.99Å; Y783-V876 HydrophobicContact CD2-CG2 4.23Å; Y783-V876 HydrophobicContact CG-CG2 4.46Å; Y783-V876 CarbonylContact O-C 3.53Å; Y783-V876 VanDerWaalsContact O-CA 3.31Å; Y783-V876 WeakPolarHBondContact O-CA 3.34Å; Y783-F877 PolarHBondContact O-N 2.84Å
784Y83.4Confident82.1Confident173.667 Ų173.66767.2 Ų67.268%0.68136%0.355SS*.EExtended strand (participates in β ladder)trans-136.5141.5-178.2-63.1-92.3000112.3P782 F877P782-Y784 HydrophobicContact CG-CE2 4.17Å; Y784-F877 CarbonylContact C-O 3.54Å; Y784-F877 WeakPolarHBondContact CA-O 3.28Å; Y784-F877 HydrophobicContact CD1-CB 3.73Å; Y784-F877 AromaticContact CD1-CD2 3.84Å; Y784-F877 HydrophobicContact CD1-CD2 3.96Å; Y784-F877 HydrophobicContact CD1-CG 4.18Å; Y784-F877 HydrophobicContact CE1-CB 4.01Å; Y784-F877 AromaticContact CE1-CD2 3.51Å; Y784-F877 HydrophobicContact CE1-CD2 3.51Å; Y784-F877 VanDerWaalsContact CE1-CD2 3.44Å; Y784-F877 HydrophobicContact CE1-CE2 4.23Å; Y784-F877 AromaticContact CE1-CG 3.93Å; Y784-F877 HydrophobicContact CE1-CG 3.95Å; Y784-F877 HydrophobicContact CG-CB 4.49Å; Y784-F877 AromaticContact CZ-CD2 3.86Å
785I87.1Confident82.6Confident53 Ų5366.3 Ų66.327%0.27235%0.353SS..EExtended strand (participates in β ladder)trans-151.1151.4-176.8173.567.1000111.9L787 V797 V876 F877 V878 N879I785-L787 HydrophobicContact CD1-CD1 4.21Å; I785-L787 HydrophobicContact CG1-CD1 4.25Å; I785-V797 WeakPolarHBondContact CD1-O 3.31Å; I785-V797 HydrophobicContact CG1-CG1 4.27Å; I785-V797 WeakPolarHBondContact CG1-O 3.34Å; I785-V797 HydrophobicContact CG2-CG1 3.97Å; I785-V876 HydrophobicContact CG2-CG1 3.9Å; I785-F877 VanDerWaalsContact CG2-O 3.26Å; I785-F877 WeakPolarHBondContact CG2-O 3.23Å; I785-F877 PolarHBondContact N-O 3.12Å; I785-V878 HydrophobicContact CG2-CB 4.2Å; I785-V878 HydrophobicContact CG2-CG1 4.21Å; I785-V878 HydrophobicContact CG2-CG2 3.86Å; I785-V878 CarbonylContact O-C 3.6Å; I785-V878 WeakPolarHBondContact O-CA 3.27Å; I785-N879 PolarHBondContact O-N 2.99Å
786N85Confident82.9Confident110 Ų11066.4 Ų66.459%0.58836%0.357SS*.EExtended strand (participates in β ladder)trans-108.6142.3171.2-71.4-40.8000110.6N879 L881N786-N879 CarbonylContact C-O 3.52Å; N786-N879 WeakPolarHBondContact CA-O 3.31Å; N786-N879 WeakPolarHBondContact OD1-CB 3.34Å; N786-N879 PolarHBondContact OD1-ND2 2.84Å; N786-L881 HydrophobicContact CB-CD1 4.23Å
787L87.1Confident83Confident23.3333 Ų23.333367.2 Ų67.212%0.12236%0.362CS..  trans-140.3161.9178.1-139.480000110.1I785 T791 V797 Y824 T835 L840 V878 N879 L880 L881I785-L787 HydrophobicContact CD1-CD1 4.21Å; I785-L787 HydrophobicContact CG1-CD1 4.25Å; L787-T791 HydrophobicContact CD1-CG2 4.06Å; L787-T791 HydrophobicContact CD2-CG2 3.76Å; L787-T791 HydrophobicContact CG-CG2 4.18Å; L787-V797 HydrophobicContact CD1-CG2 4.06Å; L787-V797 HydrophobicContact CD2-CG2 4.46Å; L787-Y824 HydrophobicContact CD2-CE1 4.09Å; L787-T835 HydrophobicContact CD2-CG2 3.98Å; L787-L840 HydrophobicContact CD2-CD1 3.3Å; L787-L840 VanDerWaalsContact CD2-CD1 3.45Å; L787-L840 HydrophobicContact CG-CD1 4.3Å; L787-V878 HydrophobicContact CB-CG1 3.9Å; L787-V878 HydrophobicContact CD1-CG1 4.19Å; L787-V878 HydrophobicContact CD2-CG1 3.97Å; L787-N879 CarbonylContact C-O 3.53Å; L787-N879 WeakPolarHBondContact CA-O 3.22Å; L787-N879 PolarHBondContact N-O 3.08Å; L787-N879 VanDerWaalsContact O-O 3.1Å; L787-L880 HydrophobicContact CB-CD2 4.3Å; L787-L880 CarbonylContact O-C 3.53Å; L787-L880 VanDerWaalsContact O-CA 3.28Å; L787-L880 WeakPolarHBondContact O-CA 3.28Å; L787-L881 WeakPolarHBondContact O-CG 3.15Å; L787-L881 PolarHBondContact O-N 3.11Å
788V83Confident83.4Confident69 Ų6965.3 Ų65.342%0.41835%0.35SS..  trans-98.1149.2170.6-168.60000108.3T791 L881V788-T791 VanDerWaalsContact C-OG1 3.31Å; V788-T791 WeakPolarHBondContact CA-OG1 3.26Å; V788-T791 WeakPolarHBondContact CB-OG1 3.09Å; V788-T791 PolarHBondContact N-OG1 3.04Å; V788-T791 VanDerWaalsContact N-OG1 3.12Å; V788-T791 VanDerWaalsContact O-CB 3.28Å; V788-T791 WeakPolarHBondContact O-CB 3.35Å; V788-T791 PolarHBondContact O-N 3.34Å; V788-T791 PolarHBondContact O-OG1 2.92Å; V788-L881 HydrophobicContact CB-CB 4.42Å; V788-L881 HydrophobicContact CG1-CB 4.09Å; V788-L881 HydrophobicContact CG1-CD1 4.33Å; V788-L881 HydrophobicContact CG2-CD1 4.27Å
789E83.5Confident83.5Confident12 Ų1266.5 Ų66.56%0.05636%0.361CS..THydrogen-bonded Turntrans-63.1163.2165.774.5179.5144.200111.5T791 D841 R842 L881 D882 L883E789-T791 PolarHBondContact O-N 3.09Å; E789-T791 VanDerWaalsContact O-N 3.11Å; E789-D841 VanDerWaalsContact OE2-CA 3.32Å; E789-D841 WeakPolarHBondContact OE2-CA 3.39Å; E789-R842 HydrophobicContact CB-CB 4.06Å; E789-R842 VanDerWaalsContact CD-CB 3.47Å; E789-R842 HydrophobicContact CG-CB 4.43Å; E789-R842 WeakPolarHBondContact OE1-CB 3.24Å; E789-R842 IonicContact OE1-NE 2.71Å; E789-R842 WeakPolarHBondContact OE2-CB 3.19Å; E789-R842 PolarHBondContact OE2-N 3.16Å; E789-L881 WeakPolarHBondContact CA-O 3.32Å; E789-L881 WeakPolarHBondContact CB-O 2.98Å; E789-L881 VanDerWaalsContact CD-O 3.25Å; E789-L881 WeakPolarHBondContact CG-O 3.33Å; E789-L881 PolarHBondContact N-O 3.08Å; E789-D882 VanDerWaalsContact OE1-CA 3.23Å; E789-D882 WeakPolarHBondContact OE1-CA 3.21Å; E789-L883 HydrophobicContact CG-CB 4.06Å; E789-L883 HydrophobicContact CG-CD1 4Å; E789-L883 HydrophobicContact CG-CG 3.96Å; E789-L883 WeakPolarHBondContact OE1-CD1 3.43Å; E789-L883 WeakPolarHBondContact OE1-CG 3.29Å; E789-L883 PolarHBondContact OE1-N 3.05Å
790M81.1Confident84Confident86.6667 Ų86.666760.4 Ų60.443%0.42734%0.335SS..THydrogen-bonded Turntrans53.118.8-171.3-57.6-63.5-152.800114.9M839 L840 L883 D885M790-M839 HydrophobicContact CB-CE 4.02Å; M790-M839 HydrophobicContact CE-CE 4.35Å; M790-M839 HydrophobicContact CE-SD 3.93Å; M790-M839 HydrophobicContact CG-CE 4.28Å; M790-M839 HydrophobicContact SD-CB 3.96Å; M790-M839 HydrophobicContact SD-CE 3.65Å; M790-M839 WeakPolarHBondContact SD-CE 3.43Å; M790-M839 HydrophobicContact SD-CG 3.83Å; M790-M839 VanDerWaalsContact SD-CG 3.55Å; M790-M839 HydrophobicContact SD-SD 3.83Å; M790-M839 VanDerWaalsContact SD-SD 3.65Å; M790-L840 PolarHBondContact N-O 3.03Å; M790-L883 HydrophobicContact CB-CD1 3.7Å; M790-L883 HydrophobicContact CB-CD2 4.17Å; M790-L883 HydrophobicContact CG-CD1 3.33Å; M790-L883 HydrophobicContact CG-CD2 4.25Å; M790-D885 VanDerWaalsContact CE-OD2 3.3Å; M790-D885 WeakPolarHBondContact CE-OD2 3.15Å
791T83.4Confident84.7Confident26.6667 Ų26.666758.8 Ų58.816%0.16433%0.329CS..PPolyproline II helixtrans-57.8133.7178.2-75.30000110.9L787 V788 E789 S795 T835L787-T791 HydrophobicContact CD1-CG2 4.06Å; L787-T791 HydrophobicContact CD2-CG2 3.76Å; L787-T791 HydrophobicContact CG-CG2 4.18Å; V788-T791 VanDerWaalsContact C-OG1 3.31Å; V788-T791 WeakPolarHBondContact CA-OG1 3.26Å; V788-T791 WeakPolarHBondContact CB-OG1 3.09Å; V788-T791 PolarHBondContact N-OG1 3.04Å; V788-T791 VanDerWaalsContact N-OG1 3.12Å; V788-T791 VanDerWaalsContact O-CB 3.28Å; V788-T791 WeakPolarHBondContact O-CB 3.35Å; V788-T791 PolarHBondContact O-N 3.34Å; V788-T791 PolarHBondContact O-OG1 2.92Å; E789-T791 PolarHBondContact O-N 3.09Å; E789-T791 VanDerWaalsContact O-N 3.11Å; T791-S795 WeakPolarHBondContact CG2-OG 3.48Å; T791-T835 HydrophobicContact CG2-CG2 4.02Å
792P82.5Confident85.3Confident87.3333 Ų87.333357.1 Ų57.157%0.56732%0.315SS*.PPolyproline II helixtrans-61.3155-177.7-26.935.7000115.2S795 T835P792-S795 VanDerWaalsContact O-CB 3.31Å; P792-S795 WeakPolarHBondContact O-CB 3.36Å; P792-S795 PolarHBondContact O-OG 2.87Å; P792-T835 PolarHBondContact O-OG1 2.96Å
793P84.3Confident85.6Confident56.6667 Ų56.666757.7 Ų57.737%0.36832%0.317SS..THydrogen-bonded Turntrans-60.9161.6175.8-25.737.3000114.9S795 T836 H837P793-S795 VanDerWaalsContact C-N 3.28Å; P793-S795 PolarHBondContact O-N 2.77Å; P793-S795 VanDerWaalsContact O-N 3.15Å; P793-T836 VanDerWaalsContact CA-O 3.29Å; P793-T836 WeakPolarHBondContact CA-O 3.4Å; P793-T836 VanDerWaalsContact CB-O 3.25Å; P793-T836 WeakPolarHBondContact CB-O 3.32Å; P793-T836 WeakPolarHBondContact CG-O 3.24Å; P793-H837 WeakPolarHBondContact CB-ND1 3.31Å; P793-H837 HydrophobicContact CG-CB 4.42Å
794D85.5Confident85.7Confident89.6667 Ų89.666757.6 Ų57.648%0.4832%0.318SS..THydrogen-bonded Turntrans61.315.2177.5-73.1-64.6000115.9R834 T835 H837D794-R834 WeakPolarHBondContact O-CD 3.29Å; D794-R834 PolarHBondContact O-NE 2.78Å; D794-R834 PolarHBondContact O-NH1 2.85Å; D794-R834 IonicContact OD1-NH1 2.76Å; D794-T835 WeakPolarHBondContact CA-O 3.32Å; D794-T835 PolarHBondContact N-O 2.92Å; D794-T835 VanDerWaalsContact N-O 3.14Å; D794-T835 PolarHBondContact N-OG1 3.08Å; D794-H837 IonicContact OD2-CE1 3.1Å; D794-H837 PolarHBondContact OD2-CE1 2.83Å
795S86.9Confident85.6Confident41.3333 Ų41.333353.1 Ų53.129%0.28931%0.31SS..  trans-72.4138.5176.1-63.90000111.5T791 P792 P793 V797 R834 T835T791-S795 WeakPolarHBondContact CG2-OG 3.48Å; P792-S795 VanDerWaalsContact O-CB 3.31Å; P792-S795 WeakPolarHBondContact O-CB 3.36Å; P792-S795 PolarHBondContact O-OG 2.87Å; P793-S795 VanDerWaalsContact C-N 3.28Å; P793-S795 PolarHBondContact O-N 2.77Å; P793-S795 VanDerWaalsContact O-N 3.15Å; S795-V797 PolarHBondContact O-N 2.88Å; S795-R834 CarbonylContact O-C 3.48Å; S795-R834 VanDerWaalsContact O-CA 3.29Å; S795-R834 WeakPolarHBondContact O-CA 3.46Å; S795-R834 WeakPolarHBondContact O-CB 3.39Å; S795-T835 WeakPolarHBondContact CB-OG1 3.27Å; S795-T835 PolarHBondContact N-OG1 2.83Å; S795-T835 PolarHBondContact O-N 2.78Å
796D86.6Confident85.6Confident84.3333 Ų84.333351.4 Ų51.445%0.45130%0.302SS..EExtended strand (participates in β ladder)trans-72.6133.3-179.7-83.1-34.9000112.1K832 R834D796-K832 VanDerWaalsContact CG-CE 3.42Å; D796-K832 WeakPolarHBondContact OD1-CE 3.43Å; D796-K832 IonicContact OD1-NZ 3.27Å; D796-K832 PolarHBondContact OD1-NZ 3.11Å; D796-K832 WeakPolarHBondContact OD2-CE 3.34Å; D796-K832 IonicContact OD2-NZ 3.32Å; D796-K832 PolarHBondContact OD2-NZ 2.97Å; D796-R834 VanDerWaalsContact CG-NH2 3.35Å; D796-R834 WeakPolarHBondContact OD1-CG 3.35Å; D796-R834 IonicContact OD1-CZ 3.32Å; D796-R834 IonicContact OD1-NE 3.31Å; D796-R834 PolarHBondContact OD1-NE 3.12Å; D796-R834 IonicContact OD1-NH1 3.07Å; D796-R834 PolarHBondContact OD1-NH1 2.89Å; D796-R834 IonicContact OD1-NH2 3.21Å; D796-R834 PolarHBondContact OD1-NH2 3.07Å; D796-R834 VanDerWaalsContact OD1-NH2 3.14Å; D796-R834 IonicContact OD2-CZ 2.68Å; D796-R834 IonicContact OD2-NE 3.12Å; D796-R834 IonicContact OD2-NH2 3.32Å; D796-R834 PolarHBondContact OD2-NH2 2.82Å
797V88.8Confident85.3Confident17.6667 Ų17.666752.2 Ų52.211%0.10731%0.305CS..EExtended strand (participates in β ladder)trans-109.9-69.2-177.5-177.30000112.6I785 L787 S795 Y824 I833 T835 I856I785-V797 WeakPolarHBondContact CD1-O 3.31Å; I785-V797 HydrophobicContact CG1-CG1 4.27Å; I785-V797 WeakPolarHBondContact CG1-O 3.34Å; I785-V797 HydrophobicContact CG2-CG1 3.97Å; L787-V797 HydrophobicContact CD1-CG2 4.06Å; L787-V797 HydrophobicContact CD2-CG2 4.46Å; S795-V797 PolarHBondContact O-N 2.88Å; V797-Y824 HydrophobicContact CG2-CD1 3.98Å; V797-Y824 HydrophobicContact CG2-CE1 3.97Å; V797-I833 HydrophobicContact CB-CB 4.34Å; V797-I833 HydrophobicContact CB-CG2 4.13Å; V797-I833 HydrophobicContact CG1-CG2 4.35Å; V797-I833 HydrophobicContact CG2-CG2 4.43Å; V797-I833 PolarHBondContact N-O 3.17Å; V797-T835 HydrophobicContact CG2-CG2 4.07Å; V797-I856 HydrophobicContact CG1-CD1 4.4Å
798T89.2Confident85Confident36.6667 Ų36.666753.7 Ų53.723%0.22533%0.326CS..EExtended strand (participates in β ladder)trans-162.3-173.5-178.9-166.10000112.7K832 I833 V876T798-K832 CarbonylContact O-C 3.57Å; T798-K832 VanDerWaalsContact O-CA 3.25Å; T798-K832 WeakPolarHBondContact O-CA 3.45Å; T798-I833 HydrophobicContact CG2-CB 4.31Å; T798-I833 HydrophobicContact CG2-CD1 3.97Å; T798-I833 HydrophobicContact CG2-CG1 4.44Å; T798-I833 PolarHBondContact O-N 2.89Å; T798-V876 HydrophobicContact CG2-CB 4.35Å; T798-V876 HydrophobicContact CG2-CG1 3.79Å; T798-V876 HydrophobicContact CG2-CG2 3.94Å
799T88.5Confident84.8Confident62 Ų6256 Ų5638%0.3833%0.333SS..EExtended strand (participates in β ladder)trans-144.3139.7179-53.10000112.1T830 G831 K832T799-T830 VanDerWaalsContact CG2-O 3.25Å; T799-T830 WeakPolarHBondContact CG2-O 3.38Å; T799-G831 WeakPolarHBondContact CA-O 3.21Å; T799-K832 HydrophobicContact CG2-CB 4.35Å; T799-K832 WeakPolarHBondContact OG1-CG 3.25Å
800V88.7Confident84.7Confident2 Ų256.9 Ų56.91%0.01234%0.338CS..  trans-116.3154.6-177.5-55.30000114.2W778 Y783 Y815 L826 G831 I833 V858 V876W778-V800 HydrophobicContact CE3-CB 4.39Å; W778-V800 HydrophobicContact CH2-CB 4.44Å; W778-V800 HydrophobicContact CH2-CG2 4.06Å; W778-V800 HydrophobicContact CZ3-CB 4.02Å; W778-V800 HydrophobicContact CZ3-CG2 3.85Å; Y783-V800 HydrophobicContact CD2-CG1 4.01Å; Y783-V800 HydrophobicContact CE1-CG1 4.45Å; Y783-V800 HydrophobicContact CE2-CB 4.11Å; Y783-V800 HydrophobicContact CE2-CG1 3.55Å; Y783-V800 VanDerWaalsContact CE2-CG1 3.47Å; V800-Y815 HydrophobicContact CG2-CD1 4.2Å; V800-Y815 HydrophobicContact CG2-CE1 4.39Å; V800-L826 HydrophobicContact CG2-CD1 4.33Å; V800-G831 WeakPolarHBondContact CG2-O 3.32Å; V800-G831 PolarHBondContact N-O 2.85Å; V800-G831 WeakPolarHBondContact O-CA 3.4Å; V800-I833 HydrophobicContact CG1-CD1 4.27Å; V800-V858 HydrophobicContact CG1-CG2 4.42Å; V800-V858 HydrophobicContact CG2-CG1 4.06Å; V800-V876 HydrophobicContact CG1-CG2 4.12Å
801V87.4Confident84.7Confident59.75 Ų59.7553.9 Ų53.936%0.36233%0.329SS..EExtended strand (participates in β ladder)trans-140.7138.5-173.1-175.60000113.1W778 K779 Y783 Y815W778-V801 VanDerWaalsContact CE3-O 3.29Å; K779-V801 HydrophobicContact CB-CB 4.38Å; K779-V801 HydrophobicContact CB-CG1 4.45Å; K779-V801 HydrophobicContact CD-CG1 4.35Å; K779-V801 PolarHBondContact N-O 3.09Å; Y783-V801 PolarHBondContact OH-N 3.26Å; Y783-V801 VanDerWaalsContact OH-N 3.17Å; V801-Y815 WeakPolarHBondContact CA-OH 3.3Å
802A87.7Confident84.8Confident9.25 Ų9.2556.2 Ų56.28%0.07634%0.343CS..EExtended strand (participates in β ladder)trans-135.9167.4173.700000113.7T777 W778 L813 Y815 V860T777-A802 CarbonylContact O-C 3.55Å; T777-A802 VanDerWaalsContact O-CA 3.22Å; T777-A802 WeakPolarHBondContact O-CA 3.34Å; T777-A802 VanDerWaalsContact O-CB 3.23Å; T777-A802 WeakPolarHBondContact O-CB 3.22Å; W778-A802 HydrophobicContact CD2-CB 4.44Å; W778-A802 HydrophobicContact CE3-CB 4.05Å; W778-A802 HydrophobicContact CZ3-CB 4.37Å; A802-L813 VanDerWaalsContact C-CD1 3.44Å; A802-L813 HydrophobicContact CB-CD1 3.9Å; A802-L813 VanDerWaalsContact O-CD1 3.26Å; A802-L813 WeakPolarHBondContact O-CD1 3.35Å; A802-Y815 HydrophobicContact CB-CE1 3.99Å; A802-Y815 PolarHBondContact N-OH 2.94Å; A802-Y815 PolarHBondContact O-OH 3.24Å; A802-V860 HydrophobicContact CB-CB 4.41Å; A802-V860 HydrophobicContact CB-CG1 3.88Å; A802-V860 HydrophobicContact CB-CG2 4.16Å
803V84.5Confident85.1Confident81.25 Ų81.2553.7 Ų53.749%0.49233%0.325SS..EExtended strand (participates in β ladder)trans-141.6154.3-179-82.90000112.6P776 T777P776-V803 CarbonylContact C-O 3.55Å; P776-V803 WeakPolarHBondContact CA-O 3.3Å; T777-V803 PolarHBondContact N-O 2.87Å; T777-V803 PolarHBondContact O-N 3.02Å; T777-V803 WeakPolarHBondContact OG1-CG2 3.19Å; T777-V803 PolarHBondContact OG1-O 3.02Å; T777-V803 VanDerWaalsContact OG1-O 3.12Å
804D86.4Confident85.4Confident27.5 Ų27.554 Ų5415%0.14733%0.326CS..  trans-143.8142.8177.9-164.3-73.7000110.7H775 P776 D806 G811 L813H775-D804 VanDerWaalsContact C-OD2 3.24Å; P776-D804 WeakPolarHBondContact CA-OD2 3.36Å; P776-D804 VanDerWaalsContact CD-OD2 3.28Å; P776-D804 WeakPolarHBondContact CD-OD2 3.16Å; P776-D804 HydrophobicContact CG-CB 4.39Å; P776-D804 VanDerWaalsContact CG-OD2 3.3Å; P776-D804 WeakPolarHBondContact CG-OD2 3.27Å; P776-D804 VanDerWaalsContact N-OD2 3.13Å; D804-D806 WeakPolarHBondContact OD1-CB 3.31Å; D804-D806 PolarHBondContact OD1-N 3.23Å; D804-D806 VanDerWaalsContact OD1-N 3.09Å; D804-G811 VanDerWaalsContact OD1-CA 3.3Å; D804-G811 WeakPolarHBondContact OD1-CA 3.42Å; D804-L813 HydrophobicContact CB-CD2 4.06Å; D804-L813 HydrophobicContact CB-CG 4.31Å
805P80.9Confident85.7Confident78.75 Ų78.7550.9 Ų50.951%0.51131%0.307SS..  trans-97.5-10.9-175.938.9-36.7000116.8E737 N774E737-P805 HydrophobicContact CB-CB 4.49Å; E737-P805 HydrophobicContact CG-CB 3.9Å; E737-P805 HydrophobicContact CG-CG 4.22Å; N774-P805 HydrophobicContact CB-CG 3.49Å; N774-P805 VanDerWaalsContact CB-CG 3.42Å
806D86Confident85.9Confident18.25 Ų18.2550.9 Ų50.910%0.09831%0.308CS..SBendtrans-75.1163.9-170.1-78.1-4.1000113.6N772 D773 N774 D804 G808 N810 G811N772-D806 WeakPolarHBondContact CA-OD2 3.36Å; N772-D806 PolarHBondContact OD1-OD2 2.91Å; D773-D806 PolarHBondContact N-OD2 2.92Å; D773-D806 VanDerWaalsContact N-OD2 3.16Å; N774-D806 HydrophobicContact CB-CB 4.38Å; N774-D806 VanDerWaalsContact CB-OD1 3.26Å; N774-D806 WeakPolarHBondContact CB-OD1 3.46Å; N774-D806 PolarHBondContact N-OD2 2.93Å; N774-D806 VanDerWaalsContact N-OD2 3.08Å; N774-D806 PolarHBondContact ND2-OD1 3.06Å; D804-D806 WeakPolarHBondContact OD1-CB 3.31Å; D804-D806 PolarHBondContact OD1-N 3.23Å; D804-D806 VanDerWaalsContact OD1-N 3.09Å; D806-G808 PolarHBondContact O-N 3.12Å; D806-N810 HydrophobicContact CB-CB 3.51Å; D806-N810 VanDerWaalsContact CB-CB 3.44Å; D806-G811 VanDerWaalsContact O-CA 3.26Å; D806-G811 WeakPolarHBondContact O-CA 3.34Å; D806-G811 PolarHBondContact O-N 3.09Å
807L78.8Confident86.1Confident125.75 Ų125.7548.2 Ų48.266%0.65829%0.293SS*.SBendtrans-87120.2-174.6-93152.3000114.2R736 D770 E809 N810R736-L807 VanDerWaalsContact NH2-N 3.18Å; D770-L807 HydrophobicContact CB-CB 4.41Å; D770-L807 WeakPolarHBondContact OD1-CB 3.49Å; D770-L807 PolarHBondContact OD1-N 3.07Å; D770-L807 VanDerWaalsContact OD1-N 3.14Å; L807-E809 PolarHBondContact O-N 2.97Å; L807-N810 WeakPolarHBondContact O-CB 3.37Å; L807-N810 PolarHBondContact O-N 3.04Å; L807-N810 PolarHBondContact O-ND2 3.26Å
808G81.1Confident85.7Confident55 Ų5553 Ų5357%0.56731%0.314SS*.THydrogen-bonded Turntrans92.3-127.7164.700000113.7D806 N810 G811 T812D806-G808 PolarHBondContact O-N 3.12Å; G808-N810 PolarHBondContact O-N 3.1Å; G808-G811 PolarHBondContact O-N 3.03Å; G808-T812 WeakPolarHBondContact O-CB 3.33Å; G808-T812 PolarHBondContact O-N 2.98Å; G808-T812 PolarHBondContact O-OG1 3.07Å
809E80Confident85.6Confident118 Ų11854.9 Ų54.955%0.55133%0.326SS*.THydrogen-bonded Turntrans-60.5-29.5176.1-66.6-160.9147.100111.5L807 G811 T812 C863 G864 R865L807-E809 PolarHBondContact O-N 2.97Å; E809-G811 VanDerWaalsContact C-N 3.26Å; E809-G811 PolarHBondContact O-N 3.34Å; E809-T812 PolarHBondContact O-N 3.05Å; E809-C863 HydrophobicContact CB-CB 4.15Å; E809-C863 CarbonylContact O-C 3.51Å; E809-C863 VanDerWaalsContact O-C 3.31Å; E809-C863 WeakPolarHBondContact O-CA 3.32Å; E809-C863 VanDerWaalsContact O-CB 3.25Å; E809-C863 WeakPolarHBondContact O-CB 3.31Å; E809-C863 PolarHBondContact O-N 3.17Å; E809-C863 VanDerWaalsContact O-N 3.11Å; E809-G864 PolarHBondContact O-N 3.2Å; E809-R865 IonicContact OE2-CZ 2.6Å; E809-R865 IonicContact OE2-NE 2.91Å; E809-R865 PolarHBondContact OE2-NE 2.84Å; E809-R865 IonicContact OE2-NH2 3.19Å; E809-R865 PolarHBondContact OE2-NH2 2.82Å
810N81.2Confident85.4Confident30.75 Ų30.7557 Ų5716%0.16434%0.341CS..THydrogen-bonded Turntrans-55.8-42.1178.3-59.7-2.8000112.6D770 N772 D806 L807 G808 T812 D862 G864D770-N810 PolarHBondContact OD2-ND2 3.07Å; N772-N810 HydrophobicContact CB-CB 4.14Å; N772-N810 WeakPolarHBondContact CB-ND2 3.36Å; N772-N810 PolarHBondContact N-ND2 3.05Å; N772-N810 WeakPolarHBondContact OD1-CA 3.29Å; N772-N810 WeakPolarHBondContact OD1-CB 3.23Å; N772-N810 PolarHBondContact OD1-ND2 2.83Å; N772-N810 VanDerWaalsContact OD1-ND2 3.08Å; N772-N810 PolarHBondContact OD1-O 2.68Å; N772-N810 PolarHBondContact OD1-OD1 3.13Å; D806-N810 HydrophobicContact CB-CB 3.51Å; D806-N810 VanDerWaalsContact CB-CB 3.44Å; L807-N810 WeakPolarHBondContact O-CB 3.37Å; L807-N810 PolarHBondContact O-N 3.04Å; L807-N810 PolarHBondContact O-ND2 3.26Å; G808-N810 PolarHBondContact O-N 3.1Å; N810-T812 VanDerWaalsContact C-N 3.33Å; N810-T812 PolarHBondContact O-N 2.81Å; N810-D862 VanDerWaalsContact O-CB 3.27Å; N810-D862 WeakPolarHBondContact O-CB 3.41Å; N810-D862 VanDerWaalsContact O-CG 3.24Å; N810-G864 VanDerWaalsContact OD1-CA 3.28Å; N810-G864 WeakPolarHBondContact OD1-CA 3.13Å
811G81.1Confident85.4Confident24 Ų2457.7 Ų57.725%0.24735%0.345CS..THydrogen-bonded Turntrans-93.819.9-17800000117.3D804 D806 G808 E809 L813D804-G811 VanDerWaalsContact OD1-CA 3.3Å; D804-G811 WeakPolarHBondContact OD1-CA 3.42Å; D806-G811 VanDerWaalsContact O-CA 3.26Å; D806-G811 WeakPolarHBondContact O-CA 3.34Å; D806-G811 PolarHBondContact O-N 3.09Å; G808-G811 PolarHBondContact O-N 3.03Å; E809-G811 VanDerWaalsContact C-N 3.26Å; E809-G811 PolarHBondContact O-N 3.34Å; G811-L813 PolarHBondContact O-N 2.89Å
812T85.2Confident85.5Confident74.5 Ų74.558.8 Ų58.846%0.45735%0.345SS..  trans-108.2118.2-172.4-64.20000113.5G808 E809 N810 D862 C863G808-T812 WeakPolarHBondContact O-CB 3.33Å; G808-T812 PolarHBondContact O-N 2.98Å; G808-T812 PolarHBondContact O-OG1 3.07Å; E809-T812 PolarHBondContact O-N 3.05Å; N810-T812 VanDerWaalsContact C-N 3.33Å; N810-T812 PolarHBondContact O-N 2.81Å; T812-D862 CarbonylContact O-C 3.56Å; T812-D862 VanDerWaalsContact O-CA 3.3Å; T812-D862 WeakPolarHBondContact O-CA 3.26Å; T812-C863 HydrophobicContact CG2-CB 4.43Å; T812-C863 PolarHBondContact O-N 3.12Å; T812-C863 VanDerWaalsContact O-N 3.11Å; T812-C863 PolarHBondContact O-SG 3.14Å; T812-C863 VanDerWaalsContact O-SG 3.33Å
813L88.3Confident85.6Confident35 Ų3558.5 Ų58.518%0.18334%0.342CS..  trans-97.7147.6-163.6-57.7-178.3000117.6P776 A802 D804 G811 Y815 V860 T861 D862P776-L813 HydrophobicContact CB-CD2 3.73Å; P776-L813 HydrophobicContact CG-CD2 3.63Å; A802-L813 VanDerWaalsContact C-CD1 3.44Å; A802-L813 HydrophobicContact CB-CD1 3.9Å; A802-L813 VanDerWaalsContact O-CD1 3.26Å; A802-L813 WeakPolarHBondContact O-CD1 3.35Å; D804-L813 HydrophobicContact CB-CD2 4.06Å; D804-L813 HydrophobicContact CB-CG 4.31Å; G811-L813 PolarHBondContact O-N 2.89Å; L813-Y815 HydrophobicContact CB-CE2 4.2Å; L813-V860 HydrophobicContact CB-CG2 4.06Å; L813-V860 HydrophobicContact CD1-CG2 4.37Å; L813-V860 HydrophobicContact CD2-CG2 4.2Å; L813-V860 HydrophobicContact CG-CG2 4.32Å; L813-T861 CarbonylContact C-O 3.47Å; L813-T861 VanDerWaalsContact CA-O 3.23Å; L813-T861 WeakPolarHBondContact CA-O 3.41Å; L813-D862 HydrophobicContact CD2-CB 4.21Å
814V90.2Very high86Confident62 Ų6254.9 Ų54.938%0.37632%0.32SS..EExtended strand (participates in β ladder)trans-134.5128.9175.2-176.20000111.8S828 V860 T861 C863V814-S828 CarbonylContact C-O 3.4Å; V814-S828 WeakPolarHBondContact CA-O 3.2Å; V814-V860 CarbonylContact O-C 3.51Å; V814-V860 VanDerWaalsContact O-CA 3.28Å; V814-V860 WeakPolarHBondContact O-CA 3.25Å; V814-V860 VanDerWaalsContact O-CG2 3.3Å; V814-V860 WeakPolarHBondContact O-CG2 3.39Å; V814-T861 PolarHBondContact N-O 3.11Å; V814-T861 PolarHBondContact O-N 3Å; V814-C863 VanDerWaalsContact CG2-SG 3.55Å
815Y91.8Very high86.3Confident24.25 Ų24.2556.1 Ų56.110%0.09533%0.33CS..EExtended strand (participates in β ladder)trans-101.6149.7-177.8-55.8-88000113.9W778 V800 V801 A802 L813 L826 S828 S859 V860W778-Y815 HydrophobicContact CE3-CE1 4.43Å; W778-Y815 AromaticContact CH2-CD1 3.75Å; W778-Y815 HydrophobicContact CH2-CD1 3.86Å; W778-Y815 AromaticContact CH2-CE1 4Å; W778-Y815 HydrophobicContact CH2-CE1 4.22Å; W778-Y815 AromaticContact CZ3-CD1 3.72Å; W778-Y815 HydrophobicContact CZ3-CD1 3.82Å; W778-Y815 AromaticContact CZ3-CE1 3.75Å; W778-Y815 HydrophobicContact CZ3-CE1 3.75Å; V800-Y815 HydrophobicContact CG2-CD1 4.2Å; V800-Y815 HydrophobicContact CG2-CE1 4.39Å; V801-Y815 WeakPolarHBondContact CA-OH 3.3Å; A802-Y815 HydrophobicContact CB-CE1 3.99Å; A802-Y815 PolarHBondContact N-OH 2.94Å; A802-Y815 PolarHBondContact O-OH 3.24Å; L813-Y815 HydrophobicContact CB-CE2 4.2Å; Y815-L826 WeakPolarHBondContact O-CD2 3.49Å; Y815-S828 WeakPolarHBondContact CB-O 3.22Å; Y815-S828 WeakPolarHBondContact CD2-O 3.26Å; Y815-S828 PolarHBondContact N-O 3.03Å; Y815-S828 VanDerWaalsContact O-CA 3.31Å; Y815-S828 WeakPolarHBondContact O-CA 3.34Å; Y815-S828 VanDerWaalsContact O-CB 3.24Å; Y815-S828 WeakPolarHBondContact O-CB 3.27Å; Y815-S859 CarbonylContact C-O 3.45Å; Y815-S859 WeakPolarHBondContact CA-O 3.29Å; Y815-V860 HydrophobicContact CD1-CB 3.91Å; Y815-V860 HydrophobicContact CD1-CG2 3.72Å; Y815-V860 HydrophobicContact CE1-CB 4.18Å; Y815-V860 HydrophobicContact CE1-CG2 3.74Å; Y815-V860 HydrophobicContact CG-CG2 4.28Å
816S91.2Very high86.8Confident42.5 Ų42.554.2 Ų54.230%0.29732%0.315SS..EExtended strand (participates in β ladder)trans-154.9143.6178.954.30000113.6L826 V858 S859S816-L826 VanDerWaalsContact CA-CD2 3.48Å; S816-L826 VanDerWaalsContact N-CD2 3.32Å; S816-V858 CarbonylContact O-C 3.45Å; S816-V858 VanDerWaalsContact O-CA 3.29Å; S816-V858 WeakPolarHBondContact O-CA 3.36Å; S816-V858 VanDerWaalsContact O-CG1 3.31Å; S816-V858 WeakPolarHBondContact O-CG1 3.36Å; S816-S859 PolarHBondContact N-O 3.27Å; S816-S859 PolarHBondContact O-N 3.01Å; S816-S859 PolarHBondContact O-OG 3.15Å; S816-S859 VanDerWaalsContact O-OG 3.13Å; S816-S859 PolarHBondContact OG-O 2.92Å; S816-S859 VanDerWaalsContact OG-O 3.13Å; S816-S859 PolarHBondContact OG-OG 2.85Å
817I90.5Very high87Confident27.25 Ų27.2556.9 Ų56.914%0.1433%0.33CS..EExtended strand (participates in β ladder)trans-82.8131.1170.2-74173.9000109.7P819 N821 L826 I856 I857 V858I817-P819 WeakPolarHBondContact CG2-O 3.38Å; I817-N821 HydrophobicContact CG2-CB 3.96Å; I817-L826 HydrophobicContact CD1-CB 3.55Å; I817-L826 HydrophobicContact CD1-CD1 4.37Å; I817-L826 HydrophobicContact CD1-CG 4.44Å; I817-L826 HydrophobicContact CG1-CB 3.75Å; I817-L826 HydrophobicContact CG1-CD1 4.07Å; I817-L826 HydrophobicContact CG1-CD2 4.27Å; I817-L826 HydrophobicContact CG1-CG 4.41Å; I817-I856 HydrophobicContact CD1-CG2 3.71Å; I817-I856 HydrophobicContact CG1-CG2 4.03Å; I817-I856 HydrophobicContact CG2-CG2 4.13Å; I817-I857 WeakPolarHBondContact CA-O 3.41Å; I817-V858 HydrophobicContact CG1-CG2 4.32Å
818H81.7Confident87.4Confident119 Ų11953.8 Ų53.855%0.55132%0.318SS*.SBendtrans-149.8127.8174.7-124.749.3000111.9I857H818-I857 PolarHBondContact N-O 2.94Å; H818-I857 VanDerWaalsContact N-O 3.08Å; H818-I857 VanDerWaalsContact O-CB 3.3Å; H818-I857 WeakPolarHBondContact O-CB 3.38Å; H818-I857 VanDerWaalsContact O-CG2 3.25Å; H818-I857 WeakPolarHBondContact O-CG2 3.32Å
819P85.5Confident87.6Confident75.25 Ų75.2556.2 Ų56.249%0.48932%0.323SS..SBendcis-65.7160.6-2.330.2-36.8000112.3I817 N821 L852I817-P819 WeakPolarHBondContact CG2-O 3.38Å; P819-N821 PolarHBondContact O-N 2.8Å; P819-N821 VanDerWaalsContact O-N 3.12Å; P819-L852 HydrophobicContact CG-CD2 4.28Å
820P84.7Confident87.9Confident106.5 Ų106.554.2 Ų54.269%0.69232%0.318SS*.  trans-56.6122.5177.7-23.834.3000111.5
821N89.3Confident88.2Confident16.5 Ų16.552.8 Ų52.89%0.08831%0.311CS..  trans-98.7123.7180-170.7-47000109.6I817 P819 F823 Y824 L852 K855 I856I817-N821 HydrophobicContact CG2-CB 3.96Å; P819-N821 PolarHBondContact O-N 2.8Å; P819-N821 VanDerWaalsContact O-N 3.12Å; N821-F823 VanDerWaalsContact C-N 3.32Å; N821-F823 PolarHBondContact O-N 2.66Å; N821-F823 WeakPolarHBondContact OD1-CA 3.26Å; N821-F823 WeakPolarHBondContact OD1-CB 3.17Å; N821-F823 WeakPolarHBondContact OD1-CD2 3.25Å; N821-F823 PolarHBondContact OD1-N 3.06Å; N821-Y824 PolarHBondContact O-N 3.36Å; N821-Y824 VanDerWaalsContact O-O 3.1Å; N821-Y824 WeakPolarHBondContact OD1-CD2 3.21Å; N821-Y824 PolarHBondContact OD1-N 3.11Å; N821-L852 HydrophobicContact CB-CD2 4.21Å; N821-L852 PolarHBondContact ND2-O 3.02Å; N821-K855 PolarHBondContact ND2-O 3Å; N821-K855 VanDerWaalsContact ND2-O 3.11Å; N821-I856 HydrophobicContact CB-CG2 4.49Å
822K88.8Confident88.7Confident84.5 Ų84.555.1 Ų55.137%0.36731%0.314SS..SBendtrans-73.1-20.7-177.673.3171.5-170.7169.70113.9T836 V838 E849K822-T836 WeakPolarHBondContact O-CB 3.4Å; K822-T836 PolarHBondContact O-OG1 2.89Å; K822-V838 HydrophobicContact CB-CG2 4.33Å; K822-V838 HydrophobicContact CD-CG1 4.23Å; K822-V838 HydrophobicContact CD-CG2 4.49Å; K822-V838 HydrophobicContact CG-CG1 4.4Å; K822-V838 HydrophobicContact CG-CG2 4.44Å; K822-V838 VanDerWaalsContact O-CG2 3.22Å; K822-V838 WeakPolarHBondContact O-CG2 3.34Å; K822-E849 VanDerWaalsContact CE-CD 3.47Å; K822-E849 VanDerWaalsContact CE-OE1 3.31Å; K822-E849 WeakPolarHBondContact CE-OE1 3.41Å; K822-E849 VanDerWaalsContact CE-OE2 3.28Å; K822-E849 WeakPolarHBondContact CE-OE2 3.3Å; K822-E849 IonicContact NZ-OE1 2.94Å; K822-E849 PolarHBondContact NZ-OE1 3.1Å; K822-E849 IonicContact NZ-OE2 3.03Å; K822-E849 PolarHBondContact NZ-OE2 3.28Å
823F90.7Very high89.1Confident2 Ų251.5 Ų51.51%0.00929%0.292CS..SBendtrans-90.6-21-177-56.1-76.7000113.3N821 T835 T836 V838 M839 L840 E849 L852 M853N821-F823 VanDerWaalsContact C-N 3.32Å; N821-F823 PolarHBondContact O-N 2.66Å; N821-F823 WeakPolarHBondContact OD1-CA 3.26Å; N821-F823 WeakPolarHBondContact OD1-CB 3.17Å; N821-F823 WeakPolarHBondContact OD1-CD2 3.25Å; N821-F823 PolarHBondContact OD1-N 3.06Å; F823-T835 CarbonylContact O-C 3.54Å; F823-T835 VanDerWaalsContact O-CA 3.29Å; F823-T835 WeakPolarHBondContact O-CA 3.39Å; F823-T836 VanDerWaalsContact C-OG1 3.26Å; F823-T836 VanDerWaalsContact CA-OG1 3.28Å; F823-T836 WeakPolarHBondContact CA-OG1 3.21Å; F823-T836 WeakPolarHBondContact O-CB 3.36Å; F823-T836 VanDerWaalsContact O-CG2 3.32Å; F823-T836 WeakPolarHBondContact O-CG2 3.32Å; F823-T836 PolarHBondContact O-N 2.98Å; F823-T836 PolarHBondContact O-OG1 3.08Å; F823-V838 HydrophobicContact CD1-CB 3.92Å; F823-V838 HydrophobicContact CD1-CG1 3.72Å; F823-V838 HydrophobicContact CE1-CB 4.25Å; F823-V838 HydrophobicContact CE1-CG1 3.52Å; F823-V838 VanDerWaalsContact CE1-CG1 3.48Å; F823-V838 HydrophobicContact CZ-CG1 4.45Å; F823-M839 WeakPolarHBondContact CD1-O 3.41Å; F823-M839 VanDerWaalsContact CE1-O 3.23Å; F823-M839 WeakPolarHBondContact CE1-O 3.36Å; F823-L840 HydrophobicContact CB-CD2 3.9Å; F823-L840 HydrophobicContact CD1-CD2 3.8Å; F823-L840 HydrophobicContact CE1-CD2 4.19Å; F823-L840 HydrophobicContact CG-CD2 4.04Å; F823-E849 HydrophobicContact CE2-CB 4.38Å; F823-E849 HydrophobicContact CZ-CB 4.23Å; F823-L852 HydrophobicContact CD2-CB 3.95Å; F823-L852 HydrophobicContact CE2-CB 3.8Å; F823-M853 HydrophobicContact CD1-CE 4.34Å; F823-M853 HydrophobicContact CD1-CG 4.04Å; F823-M853 HydrophobicContact CD2-CB 4.45Å; F823-M853 HydrophobicContact CD2-CG 3.78Å; F823-M853 HydrophobicContact CE1-CE 3.49Å; F823-M853 VanDerWaalsContact CE1-CE 3.43Å; F823-M853 HydrophobicContact CE1-CG 3.76Å; F823-M853 HydrophobicContact CE1-SD 4.32Å; F823-M853 HydrophobicContact CE2-CB 4.47Å; F823-M853 HydrophobicContact CE2-CE 4.4Å; F823-M853 HydrophobicContact CE2-CG 3.48Å; F823-M853 VanDerWaalsContact CE2-CG 3.47Å; F823-M853 HydrophobicContact CG-CG 4.04Å; F823-M853 HydrophobicContact CZ-CE 3.45Å; F823-M853 VanDerWaalsContact CZ-CE 3.45Å; F823-M853 HydrophobicContact CZ-CG 3.46Å; F823-M853 VanDerWaalsContact CZ-CG 3.47Å; F823-M853 HydrophobicContact CZ-SD 4.27Å
824Y93Very high89.3Confident6.5 Ų6.554.3 Ų54.33%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-132.8138.9-172.8-56.7-74.7000114.4L787 V797 N821 I833 R834 T835 T836 L840 L852 M853 I856 V878L787-Y824 HydrophobicContact CD2-CE1 4.09Å; V797-Y824 HydrophobicContact CG2-CD1 3.98Å; V797-Y824 HydrophobicContact CG2-CE1 3.97Å; N821-Y824 PolarHBondContact O-N 3.36Å; N821-Y824 VanDerWaalsContact O-O 3.1Å; N821-Y824 WeakPolarHBondContact OD1-CD2 3.21Å; N821-Y824 PolarHBondContact OD1-N 3.11Å; Y824-I833 HydrophobicContact CD1-CG2 4.31Å; Y824-I833 HydrophobicContact CG-CG2 4.44Å; Y824-R834 CarbonylContact C-O 3.54Å; Y824-R834 VanDerWaalsContact CA-O 3.25Å; Y824-R834 WeakPolarHBondContact CA-O 3.2Å; Y824-R834 WeakPolarHBondContact CB-O 3.35Å; Y824-T835 HydrophobicContact CD1-CG2 4.31Å; Y824-T835 HydrophobicContact CE1-CG2 4.09Å; Y824-T836 VanDerWaalsContact C-CG2 3.44Å; Y824-L840 HydrophobicContact CE1-CD1 4.15Å; Y824-L840 HydrophobicContact CE1-CD2 4.47Å; Y824-L840 HydrophobicContact CE2-CD2 4.45Å; Y824-L840 WeakPolarHBondContact OH-CD1 3.17Å; Y824-L840 WeakPolarHBondContact OH-CD2 3.2Å; Y824-L852 WeakPolarHBondContact CE2-O 3.26Å; Y824-M853 VanDerWaalsContact CE2-O 3.27Å; Y824-M853 WeakPolarHBondContact CE2-O 3.25Å; Y824-M853 PolarHBondContact OH-O 3.11Å; Y824-M853 VanDerWaalsContact OH-O 3.14Å; Y824-I856 HydrophobicContact CD1-CD1 3.88Å; Y824-I856 HydrophobicContact CD2-CD1 3.51Å; Y824-I856 VanDerWaalsContact CD2-CD1 3.43Å; Y824-I856 HydrophobicContact CD2-CG1 3.52Å; Y824-I856 VanDerWaalsContact CD2-CG1 3.42Å; Y824-I856 HydrophobicContact CE1-CD1 4.23Å; Y824-I856 HydrophobicContact CE2-CD1 3.89Å; Y824-I856 HydrophobicContact CE2-CG1 3.9Å; Y824-I856 HydrophobicContact CG-CD1 3.5Å; Y824-I856 VanDerWaalsContact CG-CD1 3.46Å; Y824-I856 HydrophobicContact CG-CG1 4Å; Y824-V878 HydrophobicContact CE2-CG2 4.41Å
825S91.3Very high89.3Confident52.25 Ų52.2551.6 Ų51.637%0.36528%0.284SS..EExtended strand (participates in β ladder)trans-111.7151.8174.967.10000111.9I833 R834S825-I833 CarbonylContact O-C 3.4Å; S825-I833 VanDerWaalsContact O-CA 3.24Å; S825-I833 WeakPolarHBondContact O-CA 3.32Å; S825-R834 PolarHBondContact N-O 2.95Å; S825-R834 PolarHBondContact O-N 3.03Å; S825-R834 VanDerWaalsContact O-N 3.1Å
826L91.9Very high89.2Confident38 Ų3852 Ų5220%0.19929%0.289CS..EExtended strand (participates in β ladder)trans-132.1139.4179.8172.1122.6000112V800 Y815 S816 I817 S828 G831 K832 I833 V858V800-L826 HydrophobicContact CG2-CD1 4.33Å; Y815-L826 WeakPolarHBondContact O-CD2 3.49Å; S816-L826 VanDerWaalsContact CA-CD2 3.48Å; S816-L826 VanDerWaalsContact N-CD2 3.32Å; I817-L826 HydrophobicContact CD1-CB 3.55Å; I817-L826 HydrophobicContact CD1-CD1 4.37Å; I817-L826 HydrophobicContact CD1-CG 4.44Å; I817-L826 HydrophobicContact CG1-CB 3.75Å; I817-L826 HydrophobicContact CG1-CD1 4.07Å; I817-L826 HydrophobicContact CG1-CD2 4.27Å; I817-L826 HydrophobicContact CG1-CG 4.41Å; L826-S828 PolarHBondContact O-N 2.7Å; L826-G831 WeakPolarHBondContact CD1-O 3.37Å; L826-K832 CarbonylContact C-O 3.52Å; L826-K832 VanDerWaalsContact CA-O 3.27Å; L826-K832 WeakPolarHBondContact CA-O 3.33Å; L826-I833 HydrophobicContact CB-CG1 4.32Å; L826-I833 HydrophobicContact CD1-CD1 4.25Å; L826-I833 HydrophobicContact CD1-CG1 3.71Å; L826-I833 VanDerWaalsContact CD1-CG1 3.44Å; L826-I833 HydrophobicContact CG-CG1 4.45Å; L826-V858 HydrophobicContact CD1-CG1 3.91Å; L826-V858 HydrophobicContact CD1-CG2 4.29Å; L826-V858 HydrophobicContact CD2-CG1 3.91Å
827N90Very high88.8Confident75.25 Ų75.2557.2 Ų57.240%0.40231%0.308SS..  trans-84.3119.9169179.4-62.9000111.2T829 T830 G831 K832N827-T829 VanDerWaalsContact C-N 3.33Å; N827-T829 PolarHBondContact O-N 3.07Å; N827-T829 PolarHBondContact OD1-N 3.15Å; N827-T829 PolarHBondContact OD1-OG1 2.91Å; N827-T830 WeakPolarHBondContact CB-OG1 3.3Å; N827-T830 PolarHBondContact O-N 3.03Å; N827-T830 PolarHBondContact OD1-N 3.1Å; N827-T830 VanDerWaalsContact OD1-N 3.08Å; N827-T830 PolarHBondContact OD1-OG1 3.16Å; N827-G831 WeakPolarHBondContact O-CA 3.39Å; N827-G831 PolarHBondContact O-N 3.19Å; N827-K832 PolarHBondContact N-O 2.98Å; N827-K832 VanDerWaalsContact N-O 3.14Å
828S88.1Confident88.6Confident60 Ų6058.6 Ų58.642%0.4232%0.318SS..THydrogen-bonded Turntrans-72-14.2-170.857.40000116.2V814 Y815 L826V814-S828 CarbonylContact C-O 3.4Å; V814-S828 WeakPolarHBondContact CA-O 3.2Å; Y815-S828 WeakPolarHBondContact CB-O 3.22Å; Y815-S828 WeakPolarHBondContact CD2-O 3.26Å; Y815-S828 PolarHBondContact N-O 3.03Å; Y815-S828 VanDerWaalsContact O-CA 3.31Å; Y815-S828 WeakPolarHBondContact O-CA 3.34Å; Y815-S828 VanDerWaalsContact O-CB 3.24Å; Y815-S828 WeakPolarHBondContact O-CB 3.27Å; L826-S828 PolarHBondContact O-N 2.7Å
829T85.4Confident88.6Confident106.75 Ų106.7558.7 Ų58.766%0.65532%0.32SS*.THydrogen-bonded Turntrans-106.2-14177.759.20000113.5N827N827-T829 VanDerWaalsContact C-N 3.33Å; N827-T829 PolarHBondContact O-N 3.07Å; N827-T829 PolarHBondContact OD1-N 3.15Å; N827-T829 PolarHBondContact OD1-OG1 2.91Å
830T86.4Confident88.7Confident75.75 Ų75.7555.3 Ų55.347%0.46530%0.298SS..THydrogen-bonded Turntrans-122.6-10.9-177.662.90000114.7T799 N827 K832T799-T830 VanDerWaalsContact CG2-O 3.25Å; T799-T830 WeakPolarHBondContact CG2-O 3.38Å; N827-T830 WeakPolarHBondContact CB-OG1 3.3Å; N827-T830 PolarHBondContact O-N 3.03Å; N827-T830 PolarHBondContact OD1-N 3.1Å; N827-T830 VanDerWaalsContact OD1-N 3.08Å; N827-T830 PolarHBondContact OD1-OG1 3.16Å; T830-K832 PolarHBondContact O-N 2.93Å
831G87.7Confident88.8Confident0 Ų052.8 Ų52.80%028%0.278CS..  trans73.16179.300000115.2T799 V800 L826 N827T799-G831 WeakPolarHBondContact CA-O 3.21Å; V800-G831 WeakPolarHBondContact CG2-O 3.32Å; V800-G831 PolarHBondContact N-O 2.85Å; V800-G831 WeakPolarHBondContact O-CA 3.4Å; L826-G831 WeakPolarHBondContact CD1-O 3.37Å; N827-G831 WeakPolarHBondContact O-CA 3.39Å; N827-G831 PolarHBondContact O-N 3.19Å
832K91.6Very high88.6Confident72.5 Ų72.554.5 Ų54.532%0.31528%0.284SS..EExtended strand (participates in β ladder)trans-76.8134-176.5-170173.2-170.5-167.50112.5D796 T798 T799 L826 N827 T830D796-K832 VanDerWaalsContact CG-CE 3.42Å; D796-K832 WeakPolarHBondContact OD1-CE 3.43Å; D796-K832 IonicContact OD1-NZ 3.27Å; D796-K832 PolarHBondContact OD1-NZ 3.11Å; D796-K832 WeakPolarHBondContact OD2-CE 3.34Å; D796-K832 IonicContact OD2-NZ 3.32Å; D796-K832 PolarHBondContact OD2-NZ 2.97Å; T798-K832 CarbonylContact O-C 3.57Å; T798-K832 VanDerWaalsContact O-CA 3.25Å; T798-K832 WeakPolarHBondContact O-CA 3.45Å; T799-K832 HydrophobicContact CG2-CB 4.35Å; T799-K832 WeakPolarHBondContact OG1-CG 3.25Å; L826-K832 CarbonylContact C-O 3.52Å; L826-K832 VanDerWaalsContact CA-O 3.27Å; L826-K832 WeakPolarHBondContact CA-O 3.33Å; N827-K832 PolarHBondContact N-O 2.98Å; N827-K832 VanDerWaalsContact N-O 3.14Å; T830-K832 PolarHBondContact O-N 2.93Å
833I92.9Very high88.3Confident0 Ų052.9 Ų52.90%028%0.277CS..EExtended strand (participates in β ladder)trans-110.5141.9-176.9-56.4177.2000111.6V797 T798 V800 Y824 S825 L826 I856 V858 V876V797-I833 HydrophobicContact CB-CB 4.34Å; V797-I833 HydrophobicContact CB-CG2 4.13Å; V797-I833 HydrophobicContact CG1-CG2 4.35Å; V797-I833 HydrophobicContact CG2-CG2 4.43Å; V797-I833 PolarHBondContact N-O 3.17Å; T798-I833 HydrophobicContact CG2-CB 4.31Å; T798-I833 HydrophobicContact CG2-CD1 3.97Å; T798-I833 HydrophobicContact CG2-CG1 4.44Å; T798-I833 PolarHBondContact O-N 2.89Å; V800-I833 HydrophobicContact CG1-CD1 4.27Å; Y824-I833 HydrophobicContact CD1-CG2 4.31Å; Y824-I833 HydrophobicContact CG-CG2 4.44Å; S825-I833 CarbonylContact O-C 3.4Å; S825-I833 VanDerWaalsContact O-CA 3.24Å; S825-I833 WeakPolarHBondContact O-CA 3.32Å; L826-I833 HydrophobicContact CB-CG1 4.32Å; L826-I833 HydrophobicContact CD1-CD1 4.25Å; L826-I833 HydrophobicContact CD1-CG1 3.71Å; L826-I833 VanDerWaalsContact CD1-CG1 3.44Å; L826-I833 HydrophobicContact CG-CG1 4.45Å; I833-I856 HydrophobicContact CD1-CD1 4.3Å; I833-I856 HydrophobicContact CD1-CG2 4.32Å; I833-I856 HydrophobicContact CG2-CD1 3.91Å; I833-V858 HydrophobicContact CD1-CG2 4.15Å; I833-V876 HydrophobicContact CD1-CG2 3.9Å
834R92.1Very high87.8Confident92.5 Ų92.554.1 Ų54.135%0.34928%0.284SS..EExtended strand (participates in β ladder)trans-137.6159.4177.7-70.3-177.2164.2-139.7-14.8113.2D794 S795 D796 Y824 S825D794-R834 WeakPolarHBondContact O-CD 3.29Å; D794-R834 PolarHBondContact O-NE 2.78Å; D794-R834 PolarHBondContact O-NH1 2.85Å; D794-R834 IonicContact OD1-NH1 2.76Å; S795-R834 CarbonylContact O-C 3.48Å; S795-R834 VanDerWaalsContact O-CA 3.29Å; S795-R834 WeakPolarHBondContact O-CA 3.46Å; S795-R834 WeakPolarHBondContact O-CB 3.39Å; D796-R834 VanDerWaalsContact CG-NH2 3.35Å; D796-R834 WeakPolarHBondContact OD1-CG 3.35Å; D796-R834 IonicContact OD1-CZ 3.32Å; D796-R834 IonicContact OD1-NE 3.31Å; D796-R834 PolarHBondContact OD1-NE 3.12Å; D796-R834 IonicContact OD1-NH1 3.07Å; D796-R834 PolarHBondContact OD1-NH1 2.89Å; D796-R834 IonicContact OD1-NH2 3.21Å; D796-R834 PolarHBondContact OD1-NH2 3.07Å; D796-R834 VanDerWaalsContact OD1-NH2 3.14Å; D796-R834 IonicContact OD2-CZ 2.68Å; D796-R834 IonicContact OD2-NE 3.12Å; D796-R834 IonicContact OD2-NH2 3.32Å; D796-R834 PolarHBondContact OD2-NH2 2.82Å; Y824-R834 CarbonylContact C-O 3.54Å; Y824-R834 VanDerWaalsContact CA-O 3.25Å; Y824-R834 WeakPolarHBondContact CA-O 3.2Å; Y824-R834 WeakPolarHBondContact CB-O 3.35Å; S825-R834 PolarHBondContact N-O 2.95Å; S825-R834 PolarHBondContact O-N 3.03Å; S825-R834 VanDerWaalsContact O-N 3.1Å
835T90.5Very high87Confident5.5 Ų5.559.8 Ų59.83%0.03432%0.322CS..EExtended strand (participates in β ladder)trans-70.2157.2166.6600000112.1L787 T791 P792 D794 S795 V797 F823 Y824 L840L787-T835 HydrophobicContact CD2-CG2 3.98Å; T791-T835 HydrophobicContact CG2-CG2 4.02Å; P792-T835 PolarHBondContact O-OG1 2.96Å; D794-T835 WeakPolarHBondContact CA-O 3.32Å; D794-T835 PolarHBondContact N-O 2.92Å; D794-T835 VanDerWaalsContact N-O 3.14Å; D794-T835 PolarHBondContact N-OG1 3.08Å; S795-T835 WeakPolarHBondContact CB-OG1 3.27Å; S795-T835 PolarHBondContact N-OG1 2.83Å; S795-T835 PolarHBondContact O-N 2.78Å; V797-T835 HydrophobicContact CG2-CG2 4.07Å; F823-T835 CarbonylContact O-C 3.54Å; F823-T835 VanDerWaalsContact O-CA 3.29Å; F823-T835 WeakPolarHBondContact O-CA 3.39Å; Y824-T835 HydrophobicContact CD1-CG2 4.31Å; Y824-T835 HydrophobicContact CE1-CG2 4.09Å; T835-L840 HydrophobicContact CG2-CD1 4.08Å
836T89.6Confident86.4Confident32.75 Ų32.7560.4 Ų60.420%0.20132%0.321CS..  trans-108.8-171.417765.30000111.5P793 K822 F823 Y824 V838P793-T836 VanDerWaalsContact CA-O 3.29Å; P793-T836 WeakPolarHBondContact CA-O 3.4Å; P793-T836 VanDerWaalsContact CB-O 3.25Å; P793-T836 WeakPolarHBondContact CB-O 3.32Å; P793-T836 WeakPolarHBondContact CG-O 3.24Å; K822-T836 WeakPolarHBondContact O-CB 3.4Å; K822-T836 PolarHBondContact O-OG1 2.89Å; F823-T836 VanDerWaalsContact C-OG1 3.26Å; F823-T836 VanDerWaalsContact CA-OG1 3.28Å; F823-T836 WeakPolarHBondContact CA-OG1 3.21Å; F823-T836 WeakPolarHBondContact O-CB 3.36Å; F823-T836 VanDerWaalsContact O-CG2 3.32Å; F823-T836 WeakPolarHBondContact O-CG2 3.32Å; F823-T836 PolarHBondContact O-N 2.98Å; F823-T836 PolarHBondContact O-OG1 3.08Å; Y824-T836 VanDerWaalsContact C-CG2 3.44Å; T836-V838 VanDerWaalsContact C-N 3.3Å; T836-V838 PolarHBondContact O-N 2.89Å; T836-V838 PolarHBondContact OG1-N 3.22Å
837H83.9Confident85.7Confident152.5 Ų152.563.4 Ų63.471%0.70634%0.343SS*.SBendtrans-75.40.2174.1-52.9-46.8000114.9P793 D794P793-H837 WeakPolarHBondContact CB-ND1 3.31Å; P793-H837 HydrophobicContact CG-CB 4.42Å; D794-H837 IonicContact OD2-CE1 3.1Å; D794-H837 PolarHBondContact OD2-CE1 2.83Å
838V85.3Confident85.3Confident56.75 Ų56.7564.5 Ų64.534%0.34435%0.352SS..SBendtrans-89.3124.5176-169.10000109.1K822 F823 T836K822-V838 HydrophobicContact CB-CG2 4.33Å; K822-V838 HydrophobicContact CD-CG1 4.23Å; K822-V838 HydrophobicContact CD-CG2 4.49Å; K822-V838 HydrophobicContact CG-CG1 4.4Å; K822-V838 HydrophobicContact CG-CG2 4.44Å; K822-V838 VanDerWaalsContact O-CG2 3.22Å; K822-V838 WeakPolarHBondContact O-CG2 3.34Å; F823-V838 HydrophobicContact CD1-CB 3.92Å; F823-V838 HydrophobicContact CD1-CG1 3.72Å; F823-V838 HydrophobicContact CE1-CB 4.25Å; F823-V838 HydrophobicContact CE1-CG1 3.52Å; F823-V838 VanDerWaalsContact CE1-CG1 3.48Å; F823-V838 HydrophobicContact CZ-CG1 4.45Å; T836-V838 VanDerWaalsContact C-N 3.3Å; T836-V838 PolarHBondContact O-N 2.89Å; T836-V838 PolarHBondContact OG1-N 3.22Å
839M82.1Confident85.2Confident120.25 Ų120.2564.4 Ų64.459%0.59235%0.345SS*.  trans-65150-178.3-90.3-176-177.700112.2M790 F823M790-M839 HydrophobicContact CB-CE 4.02Å; M790-M839 HydrophobicContact CE-CE 4.35Å; M790-M839 HydrophobicContact CE-SD 3.93Å; M790-M839 HydrophobicContact CG-CE 4.28Å; M790-M839 HydrophobicContact SD-CB 3.96Å; M790-M839 HydrophobicContact SD-CE 3.65Å; M790-M839 WeakPolarHBondContact SD-CE 3.43Å; M790-M839 HydrophobicContact SD-CG 3.83Å; M790-M839 VanDerWaalsContact SD-CG 3.55Å; M790-M839 HydrophobicContact SD-SD 3.83Å; M790-M839 VanDerWaalsContact SD-SD 3.65Å; F823-M839 WeakPolarHBondContact CD1-O 3.41Å; F823-M839 VanDerWaalsContact CE1-O 3.23Å; F823-M839 WeakPolarHBondContact CE1-O 3.36Å
840L87.3Confident85Confident3.75 Ų3.7560.1 Ų60.12%0.0232%0.32CS..  trans-101.3131.4172.2-62.3170000108.1L787 M790 F823 Y824 T835 M853 L880L787-L840 HydrophobicContact CD2-CD1 3.3Å; L787-L840 VanDerWaalsContact CD2-CD1 3.45Å; L787-L840 HydrophobicContact CG-CD1 4.3Å; M790-L840 PolarHBondContact N-O 3.03Å; F823-L840 HydrophobicContact CB-CD2 3.9Å; F823-L840 HydrophobicContact CD1-CD2 3.8Å; F823-L840 HydrophobicContact CE1-CD2 4.19Å; F823-L840 HydrophobicContact CG-CD2 4.04Å; Y824-L840 HydrophobicContact CE1-CD1 4.15Å; Y824-L840 HydrophobicContact CE1-CD2 4.47Å; Y824-L840 HydrophobicContact CE2-CD2 4.45Å; Y824-L840 WeakPolarHBondContact OH-CD1 3.17Å; Y824-L840 WeakPolarHBondContact OH-CD2 3.2Å; T835-L840 HydrophobicContact CG2-CD1 4.08Å; L840-M853 HydrophobicContact CB-SD 4.18Å; L840-M853 HydrophobicContact CD2-CB 3.92Å; L840-M853 HydrophobicContact CD2-CG 3.61Å; L840-M853 HydrophobicContact CD2-SD 3.89Å; L840-L880 HydrophobicContact CB-CD1 4.29Å; L840-L880 HydrophobicContact CB-CD2 4.22Å; L840-L880 HydrophobicContact CD1-CD2 4.18Å; L840-L880 HydrophobicContact CG-CD2 4.44Å
841D86.5Confident84.9Confident54.5 Ų54.560.9 Ų60.929%0.29132%0.319SS..  trans-140123.2-171.1157.83.9000106.3E789 E843 N844 M853E789-D841 VanDerWaalsContact OE2-CA 3.32Å; E789-D841 WeakPolarHBondContact OE2-CA 3.39Å; D841-E843 VanDerWaalsContact C-N 3.3Å; D841-E843 WeakPolarHBondContact OD1-CA 3.21Å; D841-E843 PolarHBondContact OD1-N 3.18Å; D841-N844 HydrophobicContact CB-CB 4.29Å; D841-N844 WeakPolarHBondContact O-CB 3.44Å; D841-N844 PolarHBondContact OD1-N 2.98Å; D841-N844 WeakPolarHBondContact OD2-CA 3.26Å; D841-N844 WeakPolarHBondContact OD2-CB 3.35Å; D841-M853 HydrophobicContact CB-CE 4.22Å; D841-M853 PolarHBondContact N-SD 3.03Å; D841-M853 VanDerWaalsContact O-CE 3.26Å; D841-M853 WeakPolarHBondContact O-CE 3.31Å; D841-M853 VanDerWaalsContact O-SD 3.34Å
842R85.1Confident85Confident53.25 Ų53.2563.1 Ų63.120%0.20133%0.33CS..SBendtrans-83.4-32.1-172.4-170.4-161.376.5108.70.8112E789 N844 R854 L880 L881 D882 E919E789-R842 HydrophobicContact CB-CB 4.06Å; E789-R842 VanDerWaalsContact CD-CB 3.47Å; E789-R842 HydrophobicContact CG-CB 4.43Å; E789-R842 WeakPolarHBondContact OE1-CB 3.24Å; E789-R842 IonicContact OE1-NE 2.71Å; E789-R842 WeakPolarHBondContact OE2-CB 3.19Å; E789-R842 PolarHBondContact OE2-N 3.16Å; R842-N844 VanDerWaalsContact C-N 3.33Å; R842-N844 PolarHBondContact O-N 2.99Å; R842-R854 PolarHBondContact O-NH2 3.27Å; R842-L880 HydrophobicContact CB-CB 4.18Å; R842-L880 HydrophobicContact CB-CD1 4.18Å; R842-L880 HydrophobicContact CG-CB 4.03Å; R842-L880 HydrophobicContact CG-CD1 4.22Å; R842-L881 WeakPolarHBondContact CB-O 3.39Å; R842-D882 IonicContact CZ-OD1 3.41Å; R842-D882 IonicContact NE-OD1 2.9Å; R842-D882 PolarHBondContact NE-OD1 3.4Å; R842-D882 IonicContact NH1-OD1 2.78Å; R842-D882 PolarHBondContact NH1-OD1 3.03Å; R842-D882 VanDerWaalsContact NH1-OD1 3.12Å; R842-D882 IonicContact NH2-OD1 3.36Å; R842-D882 PolarHBondContact NH2-OD1 2.74Å; R842-E919 IonicContact CZ-OE2 2.78Å; R842-E919 IonicContact NH1-OE2 3.16Å; R842-E919 PolarHBondContact NH1-OE2 3.02Å; R842-E919 IonicContact NH2-OE2 3.75Å
843E83.7Confident84.8Confident49.75 Ų49.7559.8 Ų59.823%0.23232%0.316CS..SBendtrans-80.9-13.4-179.2-76.744.7-113.700112.7D841 P845 L917D841-E843 VanDerWaalsContact C-N 3.3Å; D841-E843 WeakPolarHBondContact OD1-CA 3.21Å; D841-E843 PolarHBondContact OD1-N 3.18Å; E843-P845 WeakPolarHBondContact O-CD 3.44Å; E843-P845 VanDerWaalsContact O-N 3.08Å; E843-L917 HydrophobicContact CB-CB 4.22Å; E843-L917 HydrophobicContact CG-CB 3.85Å; E843-L917 VanDerWaalsContact CG-O 3.32Å; E843-L917 WeakPolarHBondContact CG-O 3.46Å
844N80.1Confident84.6Confident27.75 Ų27.7563.8 Ų63.815%0.14833%0.331CS..  trans-40.8113.4-179.1-173.4-13.5000112.4D841 R842 D846 E849 M853D841-N844 HydrophobicContact CB-CB 4.29Å; D841-N844 WeakPolarHBondContact O-CB 3.44Å; D841-N844 PolarHBondContact OD1-N 2.98Å; D841-N844 WeakPolarHBondContact OD2-CA 3.26Å; D841-N844 WeakPolarHBondContact OD2-CB 3.35Å; R842-N844 VanDerWaalsContact C-N 3.33Å; R842-N844 PolarHBondContact O-N 2.99Å; N844-D846 VanDerWaalsContact C-N 3.28Å; N844-D846 PolarHBondContact O-N 3.09Å; N844-D846 WeakPolarHBondContact OD1-CB 3.33Å; N844-D846 PolarHBondContact OD1-N 3.22Å; N844-D846 VanDerWaalsContact OD1-N 3.07Å; N844-E849 PolarHBondContact ND2-OE2 2.91Å; N844-M853 HydrophobicContact CB-CE 4.17Å; N844-M853 WeakPolarHBondContact ND2-CE 3.48Å
845P75.5Confident84.5Confident125.25 Ų125.2562.4 Ų62.481%0.81333%0.328SS*.SBendtrans-75.9-5.8-17530.8-36.2000113.9E843 P847E843-P845 WeakPolarHBondContact O-CD 3.44Å; E843-P845 VanDerWaalsContact O-N 3.08Å; P845-P847 VanDerWaalsContact O-CD 3.29Å; P845-P847 WeakPolarHBondContact O-CD 3.37Å
846D79.1Confident84.5Confident65.5 Ų65.562.2 Ų62.235%0.3533%0.326SS..  trans-80.3111.7173.6-171.6-44.4000110.7N844 V848 E849 A850N844-D846 VanDerWaalsContact C-N 3.28Å; N844-D846 PolarHBondContact O-N 3.09Å; N844-D846 WeakPolarHBondContact OD1-CB 3.33Å; N844-D846 PolarHBondContact OD1-N 3.22Å; N844-D846 VanDerWaalsContact OD1-N 3.07Å; D846-V848 VanDerWaalsContact C-N 3.28Å; D846-V848 PolarHBondContact O-N 2.94Å; D846-V848 WeakPolarHBondContact OD1-CA 3.32Å; D846-V848 VanDerWaalsContact OD1-CB 3.24Å; D846-V848 WeakPolarHBondContact OD1-CB 3.39Å; D846-V848 PolarHBondContact OD1-N 3.37Å; D846-E849 HydrophobicContact CB-CB 4.1Å; D846-E849 HydrophobicContact CB-CG 4.09Å; D846-E849 PolarHBondContact O-N 2.97Å; D846-E849 PolarHBondContact OD1-N 3.01Å; D846-E849 VanDerWaalsContact OD1-N 3.09Å; D846-A850 VanDerWaalsContact O-CB 3.29Å; D846-A850 WeakPolarHBondContact O-CB 3.32Å; D846-A850 PolarHBondContact O-N 2.88Å
847P77.3Confident84.6Confident101.75 Ų101.7563.1 Ų63.166%0.66133%0.329SS*.Hα-helixtrans-70.3-21.3-17730.6-36.3000113.4P845 E851P845-P847 VanDerWaalsContact O-CD 3.29Å; P845-P847 WeakPolarHBondContact O-CD 3.37Å; P847-E851 VanDerWaalsContact O-CB 3.29Å; P847-E851 WeakPolarHBondContact O-CB 3.18Å; P847-E851 PolarHBondContact O-N 2.99Å
848V80.4Confident84.9Confident97.75 Ų97.7555.9 Ų55.959%0.59230%0.296SS*.Hα-helixtrans-76.5-42176.6-173.50000109.6D846 E851 L852D846-V848 VanDerWaalsContact C-N 3.28Å; D846-V848 PolarHBondContact O-N 2.94Å; D846-V848 WeakPolarHBondContact OD1-CA 3.32Å; D846-V848 VanDerWaalsContact OD1-CB 3.24Å; D846-V848 WeakPolarHBondContact OD1-CB 3.39Å; D846-V848 PolarHBondContact OD1-N 3.37Å; V848-E851 PolarHBondContact O-N 2.85Å; V848-L852 HydrophobicContact CG1-CD1 4.18Å; V848-L852 WeakPolarHBondContact O-CB 3.24Å; V848-L852 WeakPolarHBondContact O-CG 3.29Å; V848-L852 PolarHBondContact O-N 2.99Å; V848-L852 VanDerWaalsContact O-N 3.11Å
849E86.1Confident85.1Confident57.25 Ų57.2554.5 Ų54.527%0.26829%0.289SS..Hα-helixtrans-69.3-42.9175.1-61.7-148.3161.800111.8K822 F823 N844 D846 E851 L852 M853K822-E849 VanDerWaalsContact CE-CD 3.47Å; K822-E849 VanDerWaalsContact CE-OE1 3.31Å; K822-E849 WeakPolarHBondContact CE-OE1 3.41Å; K822-E849 VanDerWaalsContact CE-OE2 3.28Å; K822-E849 WeakPolarHBondContact CE-OE2 3.3Å; K822-E849 IonicContact NZ-OE1 2.94Å; K822-E849 PolarHBondContact NZ-OE1 3.1Å; K822-E849 IonicContact NZ-OE2 3.03Å; K822-E849 PolarHBondContact NZ-OE2 3.28Å; F823-E849 HydrophobicContact CE2-CB 4.38Å; F823-E849 HydrophobicContact CZ-CB 4.23Å; N844-E849 PolarHBondContact ND2-OE2 2.91Å; D846-E849 HydrophobicContact CB-CB 4.1Å; D846-E849 HydrophobicContact CB-CG 4.09Å; D846-E849 PolarHBondContact O-N 2.97Å; D846-E849 PolarHBondContact OD1-N 3.01Å; D846-E849 VanDerWaalsContact OD1-N 3.09Å; E849-E851 VanDerWaalsContact C-N 3.33Å; E849-E851 PolarHBondContact O-N 3.13Å; E849-L852 CarbonylContact O-C 3.56Å; E849-L852 WeakPolarHBondContact O-CA 3.41Å; E849-L852 WeakPolarHBondContact O-CB 3.25Å; E849-L852 PolarHBondContact O-N 2.9Å; E849-L852 VanDerWaalsContact O-N 3.11Å; E849-M853 VanDerWaalsContact O-CG 3.3Å; E849-M853 WeakPolarHBondContact O-CG 3.24Å; E849-M853 PolarHBondContact O-N 2.9Å
850A82.1Confident85.5Confident17.75 Ų17.7548.8 Ų48.815%0.14726%0.261CS..Hα-helixtrans-59.4-39175.600000112.9D846 M853 R854D846-A850 VanDerWaalsContact O-CB 3.29Å; D846-A850 WeakPolarHBondContact O-CB 3.32Å; D846-A850 PolarHBondContact O-N 2.88Å; A850-M853 PolarHBondContact O-N 2.99Å; A850-R854 VanDerWaalsContact O-CB 3.32Å; A850-R854 WeakPolarHBondContact O-CB 3.43Å; A850-R854 WeakPolarHBondContact O-CD 3.39Å; A850-R854 VanDerWaalsContact O-CG 3.25Å; A850-R854 WeakPolarHBondContact O-CG 3.4Å; A850-R854 PolarHBondContact O-N 3.33Å; A850-R854 PolarHBondContact O-NH1 2.89Å
851E84.5Confident85.6Confident92.75 Ų92.7549.9 Ų49.943%0.43327%0.268SS..Hα-helixtrans-67-41.2172.7177.775.5165.800111.4P847 V848 E849 M853 R854 K855P847-E851 VanDerWaalsContact O-CB 3.29Å; P847-E851 WeakPolarHBondContact O-CB 3.18Å; P847-E851 PolarHBondContact O-N 2.99Å; V848-E851 PolarHBondContact O-N 2.85Å; E849-E851 VanDerWaalsContact C-N 3.33Å; E849-E851 PolarHBondContact O-N 3.13Å; E851-M853 VanDerWaalsContact C-N 3.32Å; E851-M853 PolarHBondContact O-N 3.03Å; E851-R854 CarbonylContact O-C 3.57Å; E851-R854 WeakPolarHBondContact O-CA 3.36Å; E851-R854 PolarHBondContact O-N 3.07Å; E851-R854 VanDerWaalsContact O-N 3.12Å; E851-K855 HydrophobicContact CG-CB 4.41Å; E851-K855 HydrophobicContact CG-CD 4.33Å; E851-K855 VanDerWaalsContact O-CB 3.27Å; E851-K855 WeakPolarHBondContact O-CB 3.27Å; E851-K855 PolarHBondContact O-N 2.95Å; E851-K855 WeakPolarHBondContact OE1-CD 3.29Å; E851-K855 WeakPolarHBondContact OE1-CE 3.23Å; E851-K855 IonicContact OE1-NZ 2.99Å; E851-K855 PolarHBondContact OE1-NZ 3.15Å; E851-K855 WeakPolarHBondContact OE2-CE 3.35Å; E851-K855 IonicContact OE2-NZ 2.95Å; E851-K855 PolarHBondContact OE2-NZ 3.26Å
852L88.7Confident85.7Confident45.75 Ų45.7547.6 Ų47.624%0.2426%0.255CS..Hα-helixtrans-66.4-32.6176.4-75.6171.4000113.1P819 N821 F823 Y824 V848 E849 R854P819-L852 HydrophobicContact CG-CD2 4.28Å; N821-L852 HydrophobicContact CB-CD2 4.21Å; N821-L852 PolarHBondContact ND2-O 3.02Å; F823-L852 HydrophobicContact CD2-CB 3.95Å; F823-L852 HydrophobicContact CE2-CB 3.8Å; Y824-L852 WeakPolarHBondContact CE2-O 3.26Å; V848-L852 HydrophobicContact CG1-CD1 4.18Å; V848-L852 WeakPolarHBondContact O-CB 3.24Å; V848-L852 WeakPolarHBondContact O-CG 3.29Å; V848-L852 PolarHBondContact O-N 2.99Å; V848-L852 VanDerWaalsContact O-N 3.11Å; E849-L852 CarbonylContact O-C 3.56Å; E849-L852 WeakPolarHBondContact O-CA 3.41Å; E849-L852 WeakPolarHBondContact O-CB 3.25Å; E849-L852 PolarHBondContact O-N 2.9Å; E849-L852 VanDerWaalsContact O-N 3.11Å; L852-R854 VanDerWaalsContact C-N 3.29Å; L852-R854 PolarHBondContact O-N 3.02Å
853M88.7Confident85.7Confident2.25 Ų2.2547.5 Ų47.51%0.01126%0.262CS..Hα-helixtrans-68.3-31.8170.5-66-171.3-16700112.1F823 Y824 L840 D841 N844 E849 A850 E851 V878 L880F823-M853 HydrophobicContact CD1-CE 4.34Å; F823-M853 HydrophobicContact CD1-CG 4.04Å; F823-M853 HydrophobicContact CD2-CB 4.45Å; F823-M853 HydrophobicContact CD2-CG 3.78Å; F823-M853 HydrophobicContact CE1-CE 3.49Å; F823-M853 VanDerWaalsContact CE1-CE 3.43Å; F823-M853 HydrophobicContact CE1-CG 3.76Å; F823-M853 HydrophobicContact CE1-SD 4.32Å; F823-M853 HydrophobicContact CE2-CB 4.47Å; F823-M853 HydrophobicContact CE2-CE 4.4Å; F823-M853 HydrophobicContact CE2-CG 3.48Å; F823-M853 VanDerWaalsContact CE2-CG 3.47Å; F823-M853 HydrophobicContact CG-CG 4.04Å; F823-M853 HydrophobicContact CZ-CE 3.45Å; F823-M853 VanDerWaalsContact CZ-CE 3.45Å; F823-M853 HydrophobicContact CZ-CG 3.46Å; F823-M853 VanDerWaalsContact CZ-CG 3.47Å; F823-M853 HydrophobicContact CZ-SD 4.27Å; Y824-M853 VanDerWaalsContact CE2-O 3.27Å; Y824-M853 WeakPolarHBondContact CE2-O 3.25Å; Y824-M853 PolarHBondContact OH-O 3.11Å; Y824-M853 VanDerWaalsContact OH-O 3.14Å; L840-M853 HydrophobicContact CB-SD 4.18Å; L840-M853 HydrophobicContact CD2-CB 3.92Å; L840-M853 HydrophobicContact CD2-CG 3.61Å; L840-M853 HydrophobicContact CD2-SD 3.89Å; D841-M853 HydrophobicContact CB-CE 4.22Å; D841-M853 PolarHBondContact N-SD 3.03Å; D841-M853 VanDerWaalsContact O-CE 3.26Å; D841-M853 WeakPolarHBondContact O-CE 3.31Å; D841-M853 VanDerWaalsContact O-SD 3.34Å; N844-M853 HydrophobicContact CB-CE 4.17Å; N844-M853 WeakPolarHBondContact ND2-CE 3.48Å; E849-M853 VanDerWaalsContact O-CG 3.3Å; E849-M853 WeakPolarHBondContact O-CG 3.24Å; E849-M853 PolarHBondContact O-N 2.9Å; A850-M853 PolarHBondContact O-N 2.99Å; E851-M853 VanDerWaalsContact C-N 3.32Å; E851-M853 PolarHBondContact O-N 3.03Å; M853-V878 WeakPolarHBondContact O-CB 3.26Å; M853-L880 HydrophobicContact CB-CD1 4.14Å; M853-L880 HydrophobicContact SD-CD1 3.99Å
854R88.8Confident85.5Confident84.5 Ų84.545.3 Ų45.332%0.31925%0.253SS..Hα-helixtrans-95.7-7.7-173.5-66.1170.7-171-1180.5113.7R842 A850 E851 L852 F877 V878R842-R854 PolarHBondContact O-NH2 3.27Å; A850-R854 VanDerWaalsContact O-CB 3.32Å; A850-R854 WeakPolarHBondContact O-CB 3.43Å; A850-R854 WeakPolarHBondContact O-CD 3.39Å; A850-R854 VanDerWaalsContact O-CG 3.25Å; A850-R854 WeakPolarHBondContact O-CG 3.4Å; A850-R854 PolarHBondContact O-N 3.33Å; A850-R854 PolarHBondContact O-NH1 2.89Å; E851-R854 CarbonylContact O-C 3.57Å; E851-R854 WeakPolarHBondContact O-CA 3.36Å; E851-R854 PolarHBondContact O-N 3.07Å; E851-R854 VanDerWaalsContact O-N 3.12Å; L852-R854 VanDerWaalsContact C-N 3.29Å; L852-R854 PolarHBondContact O-N 3.02Å; R854-F877 CarbonylContact O-C 3.59Å; R854-F877 VanDerWaalsContact O-CA 3.31Å; R854-F877 WeakPolarHBondContact O-CA 3.43Å; R854-V878 WeakPolarHBondContact CA-O 3.3Å; R854-V878 WeakPolarHBondContact CB-O 3.16Å; R854-V878 WeakPolarHBondContact CG-O 3.1Å; R854-V878 PolarHBondContact O-N 3.1Å
855K89.3Confident85.3Confident64 Ų6453.8 Ų53.828%0.27828%0.283SS..EExtended strand (participates in β ladder)trans-149129.7-173-143176.7-176.7166.90114.2N821 E851 I857 T875 V876 F877N821-K855 PolarHBondContact ND2-O 3Å; N821-K855 VanDerWaalsContact ND2-O 3.11Å; E851-K855 HydrophobicContact CG-CB 4.41Å; E851-K855 HydrophobicContact CG-CD 4.33Å; E851-K855 VanDerWaalsContact O-CB 3.27Å; E851-K855 WeakPolarHBondContact O-CB 3.27Å; E851-K855 PolarHBondContact O-N 2.95Å; E851-K855 WeakPolarHBondContact OE1-CD 3.29Å; E851-K855 WeakPolarHBondContact OE1-CE 3.23Å; E851-K855 IonicContact OE1-NZ 2.99Å; E851-K855 PolarHBondContact OE1-NZ 3.15Å; E851-K855 WeakPolarHBondContact OE2-CE 3.35Å; E851-K855 IonicContact OE2-NZ 2.95Å; E851-K855 PolarHBondContact OE2-NZ 3.26Å; K855-I857 HydrophobicContact CD-CD1 4.38Å; K855-I857 HydrophobicContact CG-CG1 4.3Å; K855-T875 HydrophobicContact CD-CG2 4.35Å; K855-T875 HydrophobicContact CG-CG2 3.67Å; K855-V876 CarbonylContact C-O 3.51Å; K855-V876 VanDerWaalsContact CA-O 3.31Å; K855-V876 WeakPolarHBondContact CA-O 3.34Å; K855-F877 HydrophobicContact CD-CD1 4.3Å; K855-F877 HydrophobicContact CD-CE1 4.17Å; K855-F877 HydrophobicContact CG-CD1 4.2Å; K855-F877 HydrophobicContact CG-CE1 4.28Å
856I90.9Very high85.4Confident0.25 Ų0.2552.5 Ų52.50%0.00127%0.274CS..EExtended strand (participates in β ladder)trans-122.8129.6177-40.6167.7000108.8V797 I817 N821 Y824 I833 V858 T875 V876 V878V797-I856 HydrophobicContact CG1-CD1 4.4Å; I817-I856 HydrophobicContact CD1-CG2 3.71Å; I817-I856 HydrophobicContact CG1-CG2 4.03Å; I817-I856 HydrophobicContact CG2-CG2 4.13Å; N821-I856 HydrophobicContact CB-CG2 4.49Å; Y824-I856 HydrophobicContact CD1-CD1 3.88Å; Y824-I856 HydrophobicContact CD2-CD1 3.51Å; Y824-I856 VanDerWaalsContact CD2-CD1 3.43Å; Y824-I856 HydrophobicContact CD2-CG1 3.52Å; Y824-I856 VanDerWaalsContact CD2-CG1 3.42Å; Y824-I856 HydrophobicContact CE1-CD1 4.23Å; Y824-I856 HydrophobicContact CE2-CD1 3.89Å; Y824-I856 HydrophobicContact CE2-CG1 3.9Å; Y824-I856 HydrophobicContact CG-CD1 3.5Å; Y824-I856 VanDerWaalsContact CG-CD1 3.46Å; Y824-I856 HydrophobicContact CG-CG1 4Å; I833-I856 HydrophobicContact CD1-CD1 4.3Å; I833-I856 HydrophobicContact CD1-CG2 4.32Å; I833-I856 HydrophobicContact CG2-CD1 3.91Å; I856-V858 HydrophobicContact CG2-CG2 4.39Å; I856-T875 CarbonylContact O-C 3.49Å; I856-T875 VanDerWaalsContact O-CA 3.29Å; I856-T875 WeakPolarHBondContact O-CA 3.34Å; I856-V876 HydrophobicContact CB-CB 4.1Å; I856-V876 HydrophobicContact CB-CG2 4.44Å; I856-V876 HydrophobicContact CD1-CB 4.29Å; I856-V876 HydrophobicContact CD1-CG1 4.3Å; I856-V876 HydrophobicContact CG1-CB 4.32Å; I856-V876 PolarHBondContact N-O 3.13Å; I856-V876 PolarHBondContact O-N 2.97Å; I856-V878 HydrophobicContact CD1-CG2 4.13Å; I856-V878 HydrophobicContact CG1-CG2 4.28Å
857I90.3Very high85.6Confident52.25 Ų52.2552.9 Ų52.927%0.26828%0.281SS..EExtended strand (participates in β ladder)trans-115.4128.8-178.5-59174.2000109.3I817 H818 K855 S873 A874 T875I817-I857 WeakPolarHBondContact CA-O 3.41Å; H818-I857 PolarHBondContact N-O 2.94Å; H818-I857 VanDerWaalsContact N-O 3.08Å; H818-I857 VanDerWaalsContact O-CB 3.3Å; H818-I857 WeakPolarHBondContact O-CB 3.38Å; H818-I857 VanDerWaalsContact O-CG2 3.25Å; H818-I857 WeakPolarHBondContact O-CG2 3.32Å; K855-I857 HydrophobicContact CD-CD1 4.38Å; K855-I857 HydrophobicContact CG-CG1 4.3Å; I857-S873 VanDerWaalsContact CG2-CB 3.47Å; I857-S873 WeakPolarHBondContact CG2-OG 3.29Å; I857-A874 CarbonylContact C-O 3.55Å; I857-A874 WeakPolarHBondContact CA-O 3.43Å; I857-T875 HydrophobicContact CG1-CG2 4.37Å
858V90.7Very high86Confident0 Ų049.6 Ų49.60%026%0.257CS..EExtended strand (participates in β ladder)trans-125.3135.6-173.4-161.10000111W778 V800 S816 I817 L826 I833 I856 S873 A874W778-V858 HydrophobicContact CH2-CB 4.22Å; W778-V858 HydrophobicContact CH2-CG1 4.05Å; W778-V858 VanDerWaalsContact CZ2-O 3.25Å; W778-V858 WeakPolarHBondContact CZ2-O 3.34Å; V800-V858 HydrophobicContact CG1-CG2 4.42Å; V800-V858 HydrophobicContact CG2-CG1 4.06Å; S816-V858 CarbonylContact O-C 3.45Å; S816-V858 VanDerWaalsContact O-CA 3.29Å; S816-V858 WeakPolarHBondContact O-CA 3.36Å; S816-V858 VanDerWaalsContact O-CG1 3.31Å; S816-V858 WeakPolarHBondContact O-CG1 3.36Å; I817-V858 HydrophobicContact CG1-CG2 4.32Å; L826-V858 HydrophobicContact CD1-CG1 3.91Å; L826-V858 HydrophobicContact CD1-CG2 4.29Å; L826-V858 HydrophobicContact CD2-CG1 3.91Å; I833-V858 HydrophobicContact CD1-CG2 4.15Å; I856-V858 HydrophobicContact CG2-CG2 4.39Å; V858-S873 CarbonylContact O-C 3.44Å; V858-S873 VanDerWaalsContact O-CA 3.26Å; V858-S873 WeakPolarHBondContact O-CA 3.33Å; V858-S873 VanDerWaalsContact O-CB 3.3Å; V858-S873 WeakPolarHBondContact O-CB 3.29Å; V858-A874 HydrophobicContact CB-CB 4.48Å; V858-A874 PolarHBondContact N-O 2.96Å; V858-A874 PolarHBondContact O-N 3.02Å
859S90.2Very high86.2Confident28 Ų2850.9 Ų50.920%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-115.2153.3175.854.40000111.6Y815 S816Y815-S859 CarbonylContact C-O 3.45Å; Y815-S859 WeakPolarHBondContact CA-O 3.29Å; S816-S859 PolarHBondContact N-O 3.27Å; S816-S859 PolarHBondContact O-N 3.01Å; S816-S859 PolarHBondContact O-OG 3.15Å; S816-S859 VanDerWaalsContact O-OG 3.13Å; S816-S859 PolarHBondContact OG-O 2.92Å; S816-S859 VanDerWaalsContact OG-O 3.13Å; S816-S859 PolarHBondContact OG-OG 2.85Å
860V89.9Confident86.1Confident1.75 Ų1.7549 Ų491%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-134.9145.8177.466.80000110.8P776 W778 A802 L813 V814 Y815 K869 A870P776-V860 HydrophobicContact CB-CG1 3.94Å; W778-V860 HydrophobicContact CD2-CG1 4.27Å; W778-V860 HydrophobicContact CH2-CB 3.85Å; W778-V860 HydrophobicContact CH2-CG1 3.99Å; W778-V860 HydrophobicContact CZ2-CB 3.84Å; W778-V860 HydrophobicContact CZ2-CG1 3.6Å; W778-V860 HydrophobicContact CZ3-CB 4.47Å; W778-V860 HydrophobicContact CZ3-CG1 4.46Å; A802-V860 HydrophobicContact CB-CB 4.41Å; A802-V860 HydrophobicContact CB-CG1 3.88Å; A802-V860 HydrophobicContact CB-CG2 4.16Å; L813-V860 HydrophobicContact CB-CG2 4.06Å; L813-V860 HydrophobicContact CD1-CG2 4.37Å; L813-V860 HydrophobicContact CD2-CG2 4.2Å; L813-V860 HydrophobicContact CG-CG2 4.32Å; V814-V860 CarbonylContact O-C 3.51Å; V814-V860 VanDerWaalsContact O-CA 3.28Å; V814-V860 WeakPolarHBondContact O-CA 3.25Å; V814-V860 VanDerWaalsContact O-CG2 3.3Å; V814-V860 WeakPolarHBondContact O-CG2 3.39Å; Y815-V860 HydrophobicContact CD1-CB 3.91Å; Y815-V860 HydrophobicContact CD1-CG2 3.72Å; Y815-V860 HydrophobicContact CE1-CB 4.18Å; Y815-V860 HydrophobicContact CE1-CG2 3.74Å; Y815-V860 HydrophobicContact CG-CG2 4.28Å; V860-K869 WeakPolarHBondContact O-CA 3.29Å; V860-K869 WeakPolarHBondContact O-CB 3.24Å; V860-A870 HydrophobicContact CG1-CB 3.52Å; V860-A870 VanDerWaalsContact CG1-CB 3.44Å; V860-A870 PolarHBondContact O-N 2.95Å; V860-A870 VanDerWaalsContact O-N 3.09Å
861T89.5Confident86Confident26.75 Ų26.7554.3 Ų54.316%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-138.4150.5-176.812.10000109.5L813 V814 P867 L868 K869L813-T861 CarbonylContact C-O 3.47Å; L813-T861 VanDerWaalsContact CA-O 3.23Å; L813-T861 WeakPolarHBondContact CA-O 3.41Å; V814-T861 PolarHBondContact N-O 3.11Å; V814-T861 PolarHBondContact O-N 3Å; T861-P867 HydrophobicContact CG2-CB 4.33Å; T861-L868 WeakPolarHBondContact CA-O 3.24Å; T861-L868 WeakPolarHBondContact CB-O 3.46Å; T861-L868 VanDerWaalsContact CG2-O 3.31Å; T861-L868 WeakPolarHBondContact CG2-O 3.23Å; T861-K869 HydrophobicContact CG2-CB 4.33Å; T861-K869 HydrophobicContact CG2-CD 4.06Å; T861-K869 VanDerWaalsContact CG2-CE 3.5Å; T861-K869 HydrophobicContact CG2-CG 3.72Å; T861-K869 WeakPolarHBondContact OG1-CE 3.35Å; T861-K869 WeakPolarHBondContact OG1-CG 3.49Å; T861-K869 PolarHBondContact OG1-NZ 2.99Å; T861-K869 VanDerWaalsContact OG1-NZ 3.14Å
862D88.3Confident85.8Confident5.25 Ų5.2553.3 Ų53.33%0.02828%0.283CS..  trans-84.1-169169.262.963.1000113.1N772 P776 N810 T812 L813 G864 P867 L868N772-D862 PolarHBondContact ND2-OD2 3.34Å; P776-D862 WeakPolarHBondContact CD-OD2 3.42Å; P776-D862 HydrophobicContact CG-CB 3.95Å; P776-D862 WeakPolarHBondContact CG-OD2 3.09Å; N810-D862 VanDerWaalsContact O-CB 3.27Å; N810-D862 WeakPolarHBondContact O-CB 3.41Å; N810-D862 VanDerWaalsContact O-CG 3.24Å; T812-D862 CarbonylContact O-C 3.56Å; T812-D862 VanDerWaalsContact O-CA 3.3Å; T812-D862 WeakPolarHBondContact O-CA 3.26Å; L813-D862 HydrophobicContact CD2-CB 4.21Å; D862-G864 PolarHBondContact OD1-N 3.04Å; D862-P867 WeakPolarHBondContact OD1-CA 3.39Å; D862-P867 WeakPolarHBondContact OD1-CB 3.29Å; D862-L868 VanDerWaalsContact CG-N 3.27Å; D862-L868 PolarHBondContact N-O 3.36Å; D862-L868 PolarHBondContact OD1-N 3.03Å; D862-L868 WeakPolarHBondContact OD2-CA 3.26Å; D862-L868 WeakPolarHBondContact OD2-CB 3.31Å; D862-L868 PolarHBondContact OD2-N 3.05Å
863C85.2Confident85.7Confident50.75 Ų50.7554 Ų5434%0.34329%0.292SS..  trans-115.812.9176.8-69.20000113.4E809 T812 V814E809-C863 HydrophobicContact CB-CB 4.15Å; E809-C863 CarbonylContact O-C 3.51Å; E809-C863 VanDerWaalsContact O-C 3.31Å; E809-C863 WeakPolarHBondContact O-CA 3.32Å; E809-C863 VanDerWaalsContact O-CB 3.25Å; E809-C863 WeakPolarHBondContact O-CB 3.31Å; E809-C863 PolarHBondContact O-N 3.17Å; E809-C863 VanDerWaalsContact O-N 3.11Å; T812-C863 HydrophobicContact CG2-CB 4.43Å; T812-C863 PolarHBondContact O-N 3.12Å; T812-C863 VanDerWaalsContact O-N 3.11Å; T812-C863 PolarHBondContact O-SG 3.14Å; T812-C863 VanDerWaalsContact O-SG 3.33Å; V814-C863 VanDerWaalsContact CG2-SG 3.55Å
864G80.6Confident85.7Confident3.5 Ų3.554 Ų544%0.03629%0.292CS..SBendtrans-66.7-177.6-17900000114.2E809 N810 D862 P866 P867E809-G864 PolarHBondContact O-N 3.2Å; N810-G864 VanDerWaalsContact OD1-CA 3.28Å; N810-G864 WeakPolarHBondContact OD1-CA 3.13Å; D862-G864 PolarHBondContact OD1-N 3.04Å; G864-P866 VanDerWaalsContact C-C 3.47Å; G864-P866 CarbonylContact C-O 3.48Å; G864-P866 CarbonylContact O-C 3.54Å; G864-P867 VanDerWaalsContact O-CA 3.31Å; G864-P867 WeakPolarHBondContact O-CA 3.27Å; G864-P867 WeakPolarHBondContact O-CB 3.4Å; G864-P867 VanDerWaalsContact O-CD 3.29Å; G864-P867 WeakPolarHBondContact O-CD 3.33Å; G864-P867 VanDerWaalsContact O-N 3.07Å
865R74.9Confident85.7Confident206.5 Ų206.551.3 Ų51.378%0.77929%0.285SS*.SBendtrans-137.696.3-178.4-63.1-172.7-169.3-122.5-1.2111.9E809E809-R865 IonicContact OE2-CZ 2.6Å; E809-R865 IonicContact OE2-NE 2.91Å; E809-R865 PolarHBondContact OE2-NE 2.84Å; E809-R865 IonicContact OE2-NH2 3.19Å; E809-R865 PolarHBondContact OE2-NH2 2.82Å
866P78.4Confident85.7Confident97.75 Ų97.7548.3 Ų48.364%0.63527%0.272SS*.SBendcis-69.3149.80.331-36.2000112.4N772 G864N772-P866 PolarHBondContact ND2-O 3.15Å; G864-P866 VanDerWaalsContact C-C 3.47Å; G864-P866 CarbonylContact C-O 3.48Å; G864-P866 CarbonylContact O-C 3.54Å
867P83.2Confident85.6Confident75 Ų7551.7 Ų51.749%0.48729%0.287SS..  trans-76.6135.7176.630.3-33.3000110.5T861 D862 G864T861-P867 HydrophobicContact CG2-CB 4.33Å; D862-P867 WeakPolarHBondContact OD1-CA 3.39Å; D862-P867 WeakPolarHBondContact OD1-CB 3.29Å; G864-P867 VanDerWaalsContact O-CA 3.31Å; G864-P867 WeakPolarHBondContact O-CA 3.27Å; G864-P867 WeakPolarHBondContact O-CB 3.4Å; G864-P867 VanDerWaalsContact O-CD 3.29Å; G864-P867 WeakPolarHBondContact O-CD 3.33Å; G864-P867 VanDerWaalsContact O-N 3.07Å
868L84.9Confident85.6Confident32.75 Ų32.7549.6 Ų49.617%0.17128%0.276CS..  trans-95.5167.6179.9-55.7171.7000110.1N772 N774 T861 D862N772-L868 VanDerWaalsContact ND2-CD1 3.27Å; N772-L868 WeakPolarHBondContact ND2-CD1 3.31Å; N772-L868 WeakPolarHBondContact ND2-CG 3.36Å; N774-L868 WeakPolarHBondContact O-CD1 3.36Å; T861-L868 WeakPolarHBondContact CA-O 3.24Å; T861-L868 WeakPolarHBondContact CB-O 3.46Å; T861-L868 VanDerWaalsContact CG2-O 3.31Å; T861-L868 WeakPolarHBondContact CG2-O 3.23Å; D862-L868 VanDerWaalsContact CG-N 3.27Å; D862-L868 PolarHBondContact N-O 3.36Å; D862-L868 PolarHBondContact OD1-N 3.03Å; D862-L868 WeakPolarHBondContact OD2-CA 3.26Å; D862-L868 WeakPolarHBondContact OD2-CB 3.31Å; D862-L868 PolarHBondContact OD2-N 3.05Å
869K85.1Confident85.4Confident124.75 Ų124.7553.5 Ų53.554%0.54230%0.297SS..BIsolated β-bridgetrans-132.4149.6-177.3-60.6-160.6175.3-161.70110H775 V860 T861 T871H775-K869 PolarHBondContact ND1-O 2.81Å; V860-K869 WeakPolarHBondContact O-CA 3.29Å; V860-K869 WeakPolarHBondContact O-CB 3.24Å; T861-K869 HydrophobicContact CG2-CB 4.33Å; T861-K869 HydrophobicContact CG2-CD 4.06Å; T861-K869 VanDerWaalsContact CG2-CE 3.5Å; T861-K869 HydrophobicContact CG2-CG 3.72Å; T861-K869 WeakPolarHBondContact OG1-CE 3.35Å; T861-K869 WeakPolarHBondContact OG1-CG 3.49Å; T861-K869 PolarHBondContact OG1-NZ 2.99Å; T861-K869 VanDerWaalsContact OG1-NZ 3.14Å; K869-T871 PolarHBondContact O-N 3.08Å
870A83.9Confident85.2Confident15.75 Ų15.7552.6 Ų52.613%0.1329%0.29CS..  trans-55.6134.8167.500000110.4P776 V860 S872P776-A870 HydrophobicContact CB-CB 4.29Å; P776-A870 WeakPolarHBondContact O-CA 3.35Å; P776-A870 VanDerWaalsContact O-CB 3.24Å; P776-A870 WeakPolarHBondContact O-CB 3.31Å; V860-A870 HydrophobicContact CG1-CB 3.52Å; V860-A870 VanDerWaalsContact CG1-CB 3.44Å; V860-A870 PolarHBondContact O-N 2.95Å; V860-A870 VanDerWaalsContact O-N 3.09Å; A870-S872 VanDerWaalsContact CB-O 3.32Å; A870-S872 WeakPolarHBondContact CB-O 3.13Å; A870-S872 PolarHBondContact O-N 3.07Å
871T79.1Confident84.9Confident130.75 Ų130.7556.4 Ų56.480%0.80231%0.31SS*.SBendtrans-68.3-11-178.250.80000113.4H775 K869H775-T871 HydrophobicContact CB-CG2 4.04Å; K869-T871 PolarHBondContact O-N 3.08Å
872S81.6Confident84.7Confident71.75 Ų71.7557.3 Ų57.350%0.50231%0.314SS..SBendtrans-134.9159175.159.70000111.3W778 A870W778-S872 PolarHBondContact NE1-O 2.79Å; A870-S872 VanDerWaalsContact CB-O 3.32Å; A870-S872 WeakPolarHBondContact CB-O 3.13Å; A870-S872 PolarHBondContact O-N 3.07Å
873S87.2Confident84.4Confident59.75 Ų59.7561 Ų6142%0.41833%0.333SS..  trans-100.5137.2169.4340000110.6I857 V858I857-S873 VanDerWaalsContact CG2-CB 3.47Å; I857-S873 WeakPolarHBondContact CG2-OG 3.29Å; V858-S873 CarbonylContact O-C 3.44Å; V858-S873 VanDerWaalsContact O-CA 3.26Å; V858-S873 WeakPolarHBondContact O-CA 3.33Å; V858-S873 VanDerWaalsContact O-CB 3.3Å; V858-S873 WeakPolarHBondContact O-CB 3.29Å
874A86.8Confident84.4Confident2.75 Ų2.7560.5 Ų60.52%0.02333%0.327CS..EExtended strand (participates in β ladder)trans-74.1138.8172.300000110.5W778 A781 Y783 I857 V858W778-A874 HydrophobicContact CD2-CB 3.88Å; W778-A874 HydrophobicContact CE3-CB 3.97Å; W778-A874 HydrophobicContact CG-CB 4.27Å; W778-A874 HydrophobicContact CH2-CB 4.2Å; W778-A874 HydrophobicContact CZ2-CB 4.1Å; W778-A874 HydrophobicContact CZ3-CB 4.14Å; A781-A874 HydrophobicContact CB-CB 3.75Å; Y783-A874 HydrophobicContact CD2-CB 4.43Å; Y783-A874 HydrophobicContact CE2-CB 4.22Å; I857-A874 CarbonylContact C-O 3.55Å; I857-A874 WeakPolarHBondContact CA-O 3.43Å; V858-A874 HydrophobicContact CB-CB 4.48Å; V858-A874 PolarHBondContact N-O 2.96Å; V858-A874 PolarHBondContact O-N 3.02Å
875T89.6Confident84.5Confident27 Ų2763.9 Ų63.917%0.16634%0.344CS..EExtended strand (participates in β ladder)trans-111.6138.3175.4-55.80000110.5P782 Y783 K855 I856 I857 F877P782-T875 CarbonylContact C-O 3.35Å; P782-T875 VanDerWaalsContact CA-O 3.3Å; P782-T875 WeakPolarHBondContact CA-O 3.35Å; P782-T875 VanDerWaalsContact CB-O 3.28Å; P782-T875 WeakPolarHBondContact CB-O 3.44Å; Y783-T875 PolarHBondContact N-O 2.99Å; K855-T875 HydrophobicContact CD-CG2 4.35Å; K855-T875 HydrophobicContact CG-CG2 3.67Å; I856-T875 CarbonylContact O-C 3.49Å; I856-T875 VanDerWaalsContact O-CA 3.29Å; I856-T875 WeakPolarHBondContact O-CA 3.34Å; I857-T875 HydrophobicContact CG1-CG2 4.37Å; T875-F877 HydrophobicContact CG2-CD1 4.3Å; T875-F877 HydrophobicContact CG2-CD2 4.2Å; T875-F877 HydrophobicContact CG2-CE1 3.97Å; T875-F877 HydrophobicContact CG2-CE2 3.78Å; T875-F877 HydrophobicContact CG2-CG 4.43Å; T875-F877 HydrophobicContact CG2-CZ 3.66Å
876V89.8Confident84.9Confident0.25 Ų0.2556.1 Ų56.10%0.00232%0.318CS..EExtended strand (participates in β ladder)trans-111125168.6-171.50000108.2Y783 I785 T798 V800 I833 K855 I856 V878Y783-V876 HydrophobicContact CD2-CG2 4.23Å; Y783-V876 HydrophobicContact CG-CG2 4.46Å; Y783-V876 CarbonylContact O-C 3.53Å; Y783-V876 VanDerWaalsContact O-CA 3.31Å; Y783-V876 WeakPolarHBondContact O-CA 3.34Å; I785-V876 HydrophobicContact CG2-CG1 3.9Å; T798-V876 HydrophobicContact CG2-CB 4.35Å; T798-V876 HydrophobicContact CG2-CG1 3.79Å; T798-V876 HydrophobicContact CG2-CG2 3.94Å; V800-V876 HydrophobicContact CG1-CG2 4.12Å; I833-V876 HydrophobicContact CD1-CG2 3.9Å; K855-V876 CarbonylContact C-O 3.51Å; K855-V876 VanDerWaalsContact CA-O 3.31Å; K855-V876 WeakPolarHBondContact CA-O 3.34Å; I856-V876 HydrophobicContact CB-CB 4.1Å; I856-V876 HydrophobicContact CB-CG2 4.44Å; I856-V876 HydrophobicContact CD1-CB 4.29Å; I856-V876 HydrophobicContact CD1-CG1 4.3Å; I856-V876 HydrophobicContact CG1-CB 4.32Å; I856-V876 PolarHBondContact N-O 3.13Å; I856-V876 PolarHBondContact O-N 2.97Å; V876-V878 HydrophobicContact CG1-CG2 4.27Å
877F89.3Confident85.1Confident72.25 Ų72.2555.5 Ų55.532%0.31731%0.31SS..EExtended strand (participates in β ladder)trans-100.7130175.7-64-82000110.9P782 Y783 Y784 I785 R854 K855 T875P782-F877 HydrophobicContact CB-CE2 4.25Å; Y783-F877 PolarHBondContact O-N 2.84Å; Y784-F877 CarbonylContact C-O 3.54Å; Y784-F877 WeakPolarHBondContact CA-O 3.28Å; Y784-F877 HydrophobicContact CD1-CB 3.73Å; Y784-F877 AromaticContact CD1-CD2 3.84Å; Y784-F877 HydrophobicContact CD1-CD2 3.96Å; Y784-F877 HydrophobicContact CD1-CG 4.18Å; Y784-F877 HydrophobicContact CE1-CB 4.01Å; Y784-F877 AromaticContact CE1-CD2 3.51Å; Y784-F877 HydrophobicContact CE1-CD2 3.51Å; Y784-F877 VanDerWaalsContact CE1-CD2 3.44Å; Y784-F877 HydrophobicContact CE1-CE2 4.23Å; Y784-F877 AromaticContact CE1-CG 3.93Å; Y784-F877 HydrophobicContact CE1-CG 3.95Å; Y784-F877 HydrophobicContact CG-CB 4.49Å; Y784-F877 AromaticContact CZ-CD2 3.86Å; I785-F877 VanDerWaalsContact CG2-O 3.26Å; I785-F877 WeakPolarHBondContact CG2-O 3.23Å; I785-F877 PolarHBondContact N-O 3.12Å; R854-F877 CarbonylContact O-C 3.59Å; R854-F877 VanDerWaalsContact O-CA 3.31Å; R854-F877 WeakPolarHBondContact O-CA 3.43Å; K855-F877 HydrophobicContact CD-CD1 4.3Å; K855-F877 HydrophobicContact CD-CE1 4.17Å; K855-F877 HydrophobicContact CG-CD1 4.2Å; K855-F877 HydrophobicContact CG-CE1 4.28Å; T875-F877 HydrophobicContact CG2-CD1 4.3Å; T875-F877 HydrophobicContact CG2-CD2 4.2Å; T875-F877 HydrophobicContact CG2-CE1 3.97Å; T875-F877 HydrophobicContact CG2-CE2 3.78Å; T875-F877 HydrophobicContact CG2-CG 4.43Å; T875-F877 HydrophobicContact CG2-CZ 3.66Å
878V89.5Confident85.4Confident9 Ų952 Ų526%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-116134.7-178.1-170.40000110I785 L787 Y824 M853 R854 I856 V876 L880I785-V878 HydrophobicContact CG2-CB 4.2Å; I785-V878 HydrophobicContact CG2-CG1 4.21Å; I785-V878 HydrophobicContact CG2-CG2 3.86Å; I785-V878 CarbonylContact O-C 3.6Å; I785-V878 WeakPolarHBondContact O-CA 3.27Å; L787-V878 HydrophobicContact CB-CG1 3.9Å; L787-V878 HydrophobicContact CD1-CG1 4.19Å; L787-V878 HydrophobicContact CD2-CG1 3.97Å; Y824-V878 HydrophobicContact CE2-CG2 4.41Å; M853-V878 WeakPolarHBondContact O-CB 3.26Å; R854-V878 WeakPolarHBondContact CA-O 3.3Å; R854-V878 WeakPolarHBondContact CB-O 3.16Å; R854-V878 WeakPolarHBondContact CG-O 3.1Å; R854-V878 PolarHBondContact O-N 3.1Å; I856-V878 HydrophobicContact CD1-CG2 4.13Å; I856-V878 HydrophobicContact CG1-CG2 4.28Å; V876-V878 HydrophobicContact CG1-CG2 4.27Å; V878-L880 HydrophobicContact CG1-CD2 4.34Å
879N86.1Confident85.4Confident81 Ų8154.5 Ų54.543%0.43330%0.303SS..EExtended strand (participates in β ladder)trans-112.4126.7178-178.341.9000110.2I785 N786 L787 L881I785-N879 PolarHBondContact O-N 2.99Å; N786-N879 CarbonylContact C-O 3.52Å; N786-N879 WeakPolarHBondContact CA-O 3.31Å; N786-N879 WeakPolarHBondContact OD1-CB 3.34Å; N786-N879 PolarHBondContact OD1-ND2 2.84Å; L787-N879 CarbonylContact C-O 3.53Å; L787-N879 WeakPolarHBondContact CA-O 3.22Å; L787-N879 PolarHBondContact N-O 3.08Å; L787-N879 VanDerWaalsContact O-O 3.1Å; N879-L881 PolarHBondContact O-N 2.7Å
880L86.2Confident85.6Confident9 Ų949.9 Ų49.95%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-100.6145.3-177.4-66178.6000111.9L787 L840 R842 M853 V878L787-L880 HydrophobicContact CB-CD2 4.3Å; L787-L880 CarbonylContact O-C 3.53Å; L787-L880 VanDerWaalsContact O-CA 3.28Å; L787-L880 WeakPolarHBondContact O-CA 3.28Å; L840-L880 HydrophobicContact CB-CD1 4.29Å; L840-L880 HydrophobicContact CB-CD2 4.22Å; L840-L880 HydrophobicContact CD1-CD2 4.18Å; L840-L880 HydrophobicContact CG-CD2 4.44Å; R842-L880 HydrophobicContact CB-CB 4.18Å; R842-L880 HydrophobicContact CB-CD1 4.18Å; R842-L880 HydrophobicContact CG-CB 4.03Å; R842-L880 HydrophobicContact CG-CD1 4.22Å; M853-L880 HydrophobicContact CB-CD1 4.14Å; M853-L880 HydrophobicContact SD-CD1 3.99Å; V878-L880 HydrophobicContact CG1-CD2 4.34Å
881L83.6Confident85.6Confident82 Ų8258.2 Ų58.243%0.42931%0.311SS..EExtended strand (participates in β ladder)trans-114149.4-179.6-56.4174.6000111.1N786 L787 V788 E789 R842 N879N786-L881 HydrophobicContact CB-CD1 4.23Å; L787-L881 WeakPolarHBondContact O-CG 3.15Å; L787-L881 PolarHBondContact O-N 3.11Å; V788-L881 HydrophobicContact CB-CB 4.42Å; V788-L881 HydrophobicContact CG1-CB 4.09Å; V788-L881 HydrophobicContact CG1-CD1 4.33Å; V788-L881 HydrophobicContact CG2-CD1 4.27Å; E789-L881 WeakPolarHBondContact CA-O 3.32Å; E789-L881 WeakPolarHBondContact CB-O 2.98Å; E789-L881 VanDerWaalsContact CD-O 3.25Å; E789-L881 WeakPolarHBondContact CG-O 3.33Å; E789-L881 PolarHBondContact N-O 3.08Å; R842-L881 WeakPolarHBondContact CB-O 3.39Å; N879-L881 PolarHBondContact O-N 2.7Å
882D84.8Confident85.9Confident45 Ų4553.8 Ų53.824%0.24128%0.283CS..PPolyproline II helixtrans-82.9148.2-166.2-177.596.4000116.9E789 R842 E919 N922E789-D882 VanDerWaalsContact OE1-CA 3.23Å; E789-D882 WeakPolarHBondContact OE1-CA 3.21Å; R842-D882 IonicContact CZ-OD1 3.41Å; R842-D882 IonicContact NE-OD1 2.9Å; R842-D882 PolarHBondContact NE-OD1 3.4Å; R842-D882 IonicContact NH1-OD1 2.78Å; R842-D882 PolarHBondContact NH1-OD1 3.03Å; R842-D882 VanDerWaalsContact NH1-OD1 3.12Å; R842-D882 IonicContact NH2-OD1 3.36Å; R842-D882 PolarHBondContact NH2-OD1 2.74Å; D882-E919 HydrophobicContact CB-CB 3.93Å; D882-E919 HydrophobicContact CB-CG 4.45Å; D882-E919 VanDerWaalsContact CB-OE2 3.29Å; D882-E919 WeakPolarHBondContact CB-OE2 3.22Å; D882-E919 VanDerWaalsContact CG-N 3.28Å; D882-E919 WeakPolarHBondContact OD1-CA 3.36Å; D882-E919 WeakPolarHBondContact OD1-CB 3.43Å; D882-E919 PolarHBondContact OD1-N 2.74Å; D882-E919 WeakPolarHBondContact OD2-CA 3.4Å; D882-E919 WeakPolarHBondContact OD2-CB 3.45Å; D882-E919 PolarHBondContact OD2-N 2.97Å; D882-N922 PolarHBondContact OD2-ND2 3.29Å
883L83.5Confident86.1Confident83.5 Ų83.551.2 Ų51.244%0.43726%0.263SS..  trans-132.9163.7172.8-121.8123.8000112.4E789 M790 D885 D918E789-L883 HydrophobicContact CG-CB 4.06Å; E789-L883 HydrophobicContact CG-CD1 4Å; E789-L883 HydrophobicContact CG-CG 3.96Å; E789-L883 WeakPolarHBondContact OE1-CD1 3.43Å; E789-L883 WeakPolarHBondContact OE1-CG 3.29Å; E789-L883 PolarHBondContact OE1-N 3.05Å; M790-L883 HydrophobicContact CB-CD1 3.7Å; M790-L883 HydrophobicContact CB-CD2 4.17Å; M790-L883 HydrophobicContact CG-CD1 3.33Å; M790-L883 HydrophobicContact CG-CD2 4.25Å; L883-D885 VanDerWaalsContact C-N 3.32Å; L883-D885 HydrophobicContact CB-CB 4.3Å; L883-D885 HydrophobicContact CD2-CB 4.25Å; L883-D885 HydrophobicContact CG-CB 4.1Å; L883-D885 PolarHBondContact O-N 3.08Å; L883-D918 WeakPolarHBondContact O-CB 3.48Å; L883-D918 VanDerWaalsContact O-OD2 3.09Å
884N84.4Confident86Confident41.25 Ų41.2553.2 Ų53.222%0.22128%0.275CS..SBendtrans-9597.2179.5-168.850.6000111.5D918 N922 D969 G971 P973 K975N884-D918 VanDerWaalsContact C-OD2 3.28Å; N884-D918 VanDerWaalsContact CA-OD2 3.26Å; N884-D918 WeakPolarHBondContact CA-OD2 3.4Å; N884-D918 PolarHBondContact OD1-OD2 3.11Å; N884-N922 HydrophobicContact CB-CB 4.09Å; N884-N922 WeakPolarHBondContact CB-ND2 3.23Å; N884-N922 WeakPolarHBondContact CB-OD1 3.32Å; N884-N922 VanDerWaalsContact CG-CB 3.48Å; N884-N922 VanDerWaalsContact CG-CG 3.47Å; N884-N922 PolarHBondContact N-ND2 2.95Å; N884-N922 VanDerWaalsContact ND2-CA 3.33Å; N884-N922 WeakPolarHBondContact ND2-CA 3.36Å; N884-N922 VanDerWaalsContact ND2-CB 3.3Å; N884-N922 WeakPolarHBondContact ND2-CB 2.99Å; N884-N922 PolarHBondContact ND2-OD1 3.09Å; N884-N922 WeakPolarHBondContact OD1-CA 3.26Å; N884-N922 WeakPolarHBondContact OD1-CB 3.14Å; N884-N922 VanDerWaalsContact OD1-CG 3.29Å; N884-N922 PolarHBondContact OD1-ND2 2.9Å; N884-N922 PolarHBondContact OD1-OD1 3.01Å; N884-D969 PolarHBondContact ND2-OD1 2.74Å; N884-D969 PolarHBondContact ND2-OD2 3.32Å; N884-D969 PolarHBondContact OD1-OD1 3.04Å; N884-G971 VanDerWaalsContact ND2-CA 3.25Å; N884-G971 WeakPolarHBondContact ND2-CA 3.3Å; N884-P973 PolarHBondContact ND2-O 2.85Å; N884-K975 VanDerWaalsContact C-NZ 3.32Å; N884-K975 VanDerWaalsContact ND2-CD 3.27Å; N884-K975 WeakPolarHBondContact ND2-CD 3.24Å; N884-K975 WeakPolarHBondContact O-CD 3.48Å; N884-K975 WeakPolarHBondContact O-CE 3.38Å; N884-K975 PolarHBondContact O-NZ 3.48Å
885D83Confident85.9Confident74.5 Ų74.557.3 Ų57.340%0.39829%0.293SS..  trans-133.5-14.3-171119.1-34.8000115.8M790 L883 D918 K975M790-D885 VanDerWaalsContact CE-OD2 3.3Å; M790-D885 WeakPolarHBondContact CE-OD2 3.15Å; L883-D885 VanDerWaalsContact C-N 3.32Å; L883-D885 HydrophobicContact CB-CB 4.3Å; L883-D885 HydrophobicContact CD2-CB 4.25Å; L883-D885 HydrophobicContact CG-CB 4.1Å; L883-D885 PolarHBondContact O-N 3.08Å; D885-D918 VanDerWaalsContact N-CG 3.26Å; D885-D918 PolarHBondContact N-OD1 3.03Å; D885-D918 VanDerWaalsContact N-OD1 3.12Å; D885-D918 PolarHBondContact N-OD2 3Å; D885-K975 VanDerWaalsContact C-NZ 3.31Å; D885-K975 WeakPolarHBondContact O-CE 3.44Å; D885-K975 PolarHBondContact O-NZ 3.16Å
886N82.3Confident85.8Confident43 Ų4358.9 Ų58.923%0.2330%0.302CS..SBendtrans-92.8166.4179.1-70.8-84.7000114.6D916 L917 D918 K975N886-D916 WeakPolarHBondContact CA-OD1 3.36Å; N886-D916 WeakPolarHBondContact CB-OD1 3.33Å; N886-L917 HydrophobicContact CB-CB 4.03Å; N886-D918 WeakPolarHBondContact CA-OD2 3.24Å; N886-D918 VanDerWaalsContact CB-OD1 3.3Å; N886-D918 WeakPolarHBondContact CB-OD1 3.23Å; N886-D918 PolarHBondContact N-OD1 3Å; N886-D918 PolarHBondContact N-OD2 3.07Å; N886-D918 VanDerWaalsContact N-OD2 3.15Å; N886-D918 PolarHBondContact ND2-OD1 3Å; N886-K975 WeakPolarHBondContact O-CD 3.34Å; N886-K975 WeakPolarHBondContact O-CE 3.4Å; N886-K975 PolarHBondContact O-NZ 3.02Å
887D84.3Confident85.6Confident84.5 Ų84.559.2 Ų59.245%0.45231%0.305SS..  trans-116.9143180-88.535000111.3T889 D916 K975D887-T889 WeakPolarHBondContact O-CG2 3.11Å; D887-T889 PolarHBondContact O-N 2.96Å; D887-T889 PolarHBondContact O-OG1 3.2Å; D887-D916 VanDerWaalsContact C-CG 3.43Å; D887-D916 VanDerWaalsContact CA-OD2 3.25Å; D887-D916 WeakPolarHBondContact CA-OD2 3.47Å; D887-D916 PolarHBondContact N-OD1 3.04Å; D887-D916 PolarHBondContact N-OD2 2.92Å; D887-K975 HydrophobicContact CB-CB 4.35Å; D887-K975 HydrophobicContact CB-CD 4.4Å; D887-K975 WeakPolarHBondContact OD1-CB 3.43Å; D887-K975 WeakPolarHBondContact OD1-CD 3.1Å; D887-K975 WeakPolarHBondContact OD1-CE 3.34Å; D887-K975 WeakPolarHBondContact OD1-CG 3.21Å; D887-K975 IonicContact OD1-NZ 2.67Å; D887-K975 PolarHBondContact OD1-NZ 3.09Å; D887-K975 WeakPolarHBondContact OD2-CB 3.34Å
888P89.4Confident85.4Confident2 Ų261.1 Ų61.11%0.01332%0.315CS..  trans-62.4119.9179.8-25.633.1000114I915 D916 V925 A967 D969 S977P888-I915 CarbonylContact C-O 3.46Å; P888-I915 VanDerWaalsContact CA-O 3.28Å; P888-I915 WeakPolarHBondContact CA-O 3.17Å; P888-D916 WeakPolarHBondContact CA-OD2 3.36Å; P888-D916 WeakPolarHBondContact CD-OD2 3.26Å; P888-D916 HydrophobicContact CG-CB 4.3Å; P888-D916 WeakPolarHBondContact CG-OD2 3.38Å; P888-D916 VanDerWaalsContact N-OD2 3.08Å; P888-V925 HydrophobicContact CB-CG1 4.2Å; P888-V925 HydrophobicContact CB-CG2 4.05Å; P888-V925 HydrophobicContact CG-CG2 4.36Å; P888-A967 HydrophobicContact CB-CB 3.94Å; P888-D969 VanDerWaalsContact CD-OD2 3.29Å; P888-D969 WeakPolarHBondContact CD-OD2 3.39Å; P888-D969 HydrophobicContact CG-CB 3.9Å; P888-D969 VanDerWaalsContact CG-CB 3.46Å; P888-D969 VanDerWaalsContact CG-OD2 3.23Å; P888-D969 WeakPolarHBondContact CG-OD2 3.37Å; P888-S977 VanDerWaalsContact O-CB 3.26Å; P888-S977 WeakPolarHBondContact O-CB 3.32Å; P888-S977 PolarHBondContact O-OG 2.94Å
889T84.8Confident85.3Confident84 Ų8461.4 Ų61.452%0.51532%0.316SS..EExtended strand (participates in β ladder)trans-108.7125.7-176.4-4.10000112.2D887 R891 A914 I915D887-T889 WeakPolarHBondContact O-CG2 3.11Å; D887-T889 PolarHBondContact O-N 2.96Å; D887-T889 PolarHBondContact O-OG1 3.2Å; T889-R891 PolarHBondContact O-N 3.14Å; T889-A914 CarbonylContact O-C 3.48Å; T889-A914 VanDerWaalsContact O-CA 3.24Å; T889-A914 WeakPolarHBondContact O-CA 3.29Å; T889-A914 VanDerWaalsContact O-CB 3.3Å; T889-A914 WeakPolarHBondContact O-CB 3.21Å; T889-I915 PolarHBondContact N-O 2.96Å; T889-I915 PolarHBondContact O-N 3.05Å; T889-I915 PolarHBondContact OG1-O 2.93Å
890F88Confident85.2Confident28.25 Ų28.2562 Ų6212%0.12432%0.318CS..EExtended strand (participates in β ladder)trans-65.9124.9173.8-80.9-75.2000111.4L893 V912 A914 Y927 V965 V966 A967 S977 T978F890-L893 HydrophobicContact CB-CB 4.14Å; F890-L893 HydrophobicContact CD1-CB 4.34Å; F890-L893 HydrophobicContact CD1-CD1 4.05Å; F890-L893 HydrophobicContact CD1-CG 4.28Å; F890-L893 HydrophobicContact CE1-CD1 4.03Å; F890-L893 HydrophobicContact CG-CB 4.38Å; F890-L893 HydrophobicContact CG-CD1 4.17Å; F890-L893 HydrophobicContact CG-CG 4.46Å; F890-L893 HydrophobicContact CZ-CD1 4.35Å; F890-V912 HydrophobicContact CD1-CB 4.37Å; F890-V912 HydrophobicContact CD1-CG1 3.85Å; F890-V912 HydrophobicContact CE1-CB 4.12Å; F890-V912 HydrophobicContact CE1-CG1 3.41Å; F890-V912 VanDerWaalsContact CE1-CG1 3.45Å; F890-V912 HydrophobicContact CE1-CG2 4.26Å; F890-V912 HydrophobicContact CZ-CG1 4.23Å; F890-A914 HydrophobicContact CD1-CB 3.98Å; F890-A914 HydrophobicContact CE1-CB 4.21Å; F890-A914 HydrophobicContact CG-CB 4.25Å; F890-Y927 HydrophobicContact CE1-CD1 4.27Å; F890-Y927 HydrophobicContact CE1-CE1 4.29Å; F890-V965 HydrophobicContact CE1-CG1 4.1Å; F890-V965 HydrophobicContact CZ-CB 4.33Å; F890-V965 HydrophobicContact CZ-CG1 4.27Å; F890-V965 WeakPolarHBondContact CZ-O 3.36Å; F890-V966 VanDerWaalsContact CZ-C 3.47Å; F890-A967 HydrophobicContact CD1-CB 4.47Å; F890-A967 HydrophobicContact CD2-CB 4.47Å; F890-A967 HydrophobicContact CE1-CB 3.93Å; F890-A967 HydrophobicContact CE2-CB 3.78Å; F890-A967 HydrophobicContact CZ-CB 3.44Å; F890-A967 VanDerWaalsContact CZ-CB 3.5Å; F890-S977 VanDerWaalsContact CD2-OG 3.3Å; F890-S977 WeakPolarHBondContact CD2-OG 3.2Å; F890-S977 VanDerWaalsContact CE2-OG 3.29Å; F890-S977 WeakPolarHBondContact CE2-OG 3.4Å; F890-T978 VanDerWaalsContact CE2-CA 3.42Å
891R83.6Confident85.3Confident189.75 Ų189.7562.6 Ų62.672%0.71632%0.321SS*.SBendtrans-86.7-26.2178.6-97.3-152.3-166.3179.73.4113.6T889 V913 I915T889-R891 PolarHBondContact O-N 3.14Å; R891-V913 HydrophobicContact CB-CB 4.41Å; R891-V913 HydrophobicContact CB-CG1 4.33Å; R891-V913 PolarHBondContact N-O 2.93Å; R891-I915 HydrophobicContact CB-CG2 4.48Å; R891-I915 HydrophobicContact CG-CD1 4.28Å; R891-I915 HydrophobicContact CG-CG1 4.07Å; R891-I915 HydrophobicContact CG-CG2 4.16Å; R891-I915 VanDerWaalsContact CZ-CD1 3.46Å
892N86.8Confident85.1Confident40.25 Ų40.2560.6 Ų60.622%0.21532%0.321CS..SBendtrans-135.727.9-170.475.9-23.4000114F895 Y910 Q911 V912 V913N892-F895 WeakPolarHBondContact O-CB 3.42Å; N892-Y910 WeakPolarHBondContact CB-OH 3.25Å; N892-Y910 VanDerWaalsContact ND2-CE1 3.32Å; N892-Y910 WeakPolarHBondContact ND2-CE1 3.35Å; N892-Y910 PolarHBondContact ND2-OH 2.99Å; N892-Y910 VanDerWaalsContact ND2-OH 3.11Å; N892-Y910 WeakPolarHBondContact O-CE1 3.4Å; N892-Y910 PolarHBondContact O-OH 3.15Å; N892-Q911 PolarHBondContact ND2-O 2.83Å; N892-V912 WeakPolarHBondContact OD1-CA 3.05Å; N892-V913 PolarHBondContact N-O 3.11Å; N892-V913 PolarHBondContact OD1-N 2.89Å; N892-V913 PolarHBondContact OD1-O 3.05Å
893L85.5Confident85Confident15.5 Ų15.559.7 Ų59.78%0.08132%0.317CS..  trans-136.3141.7167.1-68.6-177.8000110F890 F895 Y910 V912 V965 S979 L981F890-L893 HydrophobicContact CB-CB 4.14Å; F890-L893 HydrophobicContact CD1-CB 4.34Å; F890-L893 HydrophobicContact CD1-CD1 4.05Å; F890-L893 HydrophobicContact CD1-CG 4.28Å; F890-L893 HydrophobicContact CE1-CD1 4.03Å; F890-L893 HydrophobicContact CG-CB 4.38Å; F890-L893 HydrophobicContact CG-CD1 4.17Å; F890-L893 HydrophobicContact CG-CG 4.46Å; F890-L893 HydrophobicContact CZ-CD1 4.35Å; L893-F895 HydrophobicContact CD2-CB 3.96Å; L893-Y910 HydrophobicContact CD2-CD1 4.41Å; L893-Y910 HydrophobicContact CD2-CE1 4.14Å; L893-V912 HydrophobicContact CD1-CB 4.36Å; L893-V912 HydrophobicContact CD1-CG1 3.56Å; L893-V912 VanDerWaalsContact CD1-CG1 3.43Å; L893-V912 HydrophobicContact CD1-CG2 3.87Å; L893-V912 HydrophobicContact CD2-CG1 4.18Å; L893-V912 HydrophobicContact CD2-CG2 4.33Å; L893-V912 HydrophobicContact CG-CG1 4.04Å; L893-V912 HydrophobicContact CG-CG2 4.32Å; L893-V965 HydrophobicContact CD1-CB 3.94Å; L893-V965 HydrophobicContact CD1-CG1 4.36Å; L893-V965 HydrophobicContact CD1-CG2 4.14Å; L893-S979 VanDerWaalsContact CB-CB 3.46Å; L893-S979 VanDerWaalsContact CB-OG 3.28Å; L893-S979 WeakPolarHBondContact CB-OG 3.18Å; L893-S979 PolarHBondContact O-OG 2.91Å; L893-L981 HydrophobicContact CD2-CB 3.87Å; L893-L981 HydrophobicContact CD2-CD1 4.21Å; L893-L981 HydrophobicContact CD2-CG 4.44Å
894P84.7Confident84.8Confident103.25 Ų103.2559.5 Ų59.567%0.6732%0.32SS*.SBendcis-76.7149.49.630.6-35.8000113.9S979 T980P894-S979 WeakPolarHBondContact CD-OG 3.48Å; P894-S979 VanDerWaalsContact N-OG 3.07Å; P894-T980 VanDerWaalsContact CA-O 3.27Å; P894-T980 WeakPolarHBondContact CA-O 3.29Å; P894-T980 VanDerWaalsContact CB-O 3.26Å; P894-T980 WeakPolarHBondContact CB-O 3.44Å
895F85.7Confident84.7Confident88.5 Ų88.560.3 Ų60.339%0.38833%0.333SS..EExtended strand (participates in β ladder)trans-144.7159-177.8-170.7-101.4000111.4N892 L893 A897 Y910 T980 L981 T982N892-F895 WeakPolarHBondContact O-CB 3.42Å; L893-F895 HydrophobicContact CD2-CB 3.96Å; F895-A897 HydrophobicContact CD1-CB 4.32Å; F895-A897 HydrophobicContact CE1-CB 4.27Å; F895-Y910 HydrophobicContact CB-CE1 4.18Å; F895-Y910 HydrophobicContact CD1-CD1 4.26Å; F895-Y910 AromaticContact CD1-CD2 3.75Å; F895-Y910 HydrophobicContact CD1-CD2 3.75Å; F895-Y910 AromaticContact CD1-CE1 3.84Å; F895-Y910 HydrophobicContact CD1-CE1 3.94Å; F895-Y910 AromaticContact CD1-CE2 3.23Å; F895-Y910 HydrophobicContact CD1-CE2 3.23Å; F895-Y910 HydrophobicContact CD1-CG 4.24Å; F895-Y910 AromaticContact CD1-CZ 3.33Å; F895-Y910 VanDerWaalsContact CD1-CZ 3.43Å; F895-Y910 WeakPolarHBondContact CD1-OH 3.32Å; F895-Y910 HydrophobicContact CD2-CE2 4.1Å; F895-Y910 AromaticContact CD2-CZ 3.82Å; F895-Y910 VanDerWaalsContact CD2-OH 3.31Å; F895-Y910 WeakPolarHBondContact CD2-OH 3.48Å; F895-Y910 AromaticContact CE1-CD2 3.7Å; F895-Y910 HydrophobicContact CE1-CD2 3.7Å; F895-Y910 VanDerWaalsContact CE1-CD2 3.49Å; F895-Y910 AromaticContact CE1-CE2 3.18Å; F895-Y910 HydrophobicContact CE1-CE2 3.18Å; F895-Y910 HydrophobicContact CE1-CG 4.46Å; F895-Y910 AromaticContact CE1-CZ 3.75Å; F895-Y910 HydrophobicContact CE2-CE2 4.07Å; F895-Y910 HydrophobicContact CG-CD2 4.39Å; F895-Y910 AromaticContact CG-CE1 3.93Å; F895-Y910 HydrophobicContact CG-CE1 4.17Å; F895-Y910 AromaticContact CG-CE2 3.88Å; F895-Y910 HydrophobicContact CG-CE2 3.94Å; F895-Y910 AromaticContact CG-CZ 3.58Å; F895-Y910 VanDerWaalsContact CG-OH 3.25Å; F895-Y910 WeakPolarHBondContact CG-OH 3.32Å; F895-Y910 HydrophobicContact CZ-CD2 4.37Å; F895-Y910 AromaticContact CZ-CE2 3.85Å; F895-Y910 HydrophobicContact CZ-CE2 3.85Å; F895-T980 PolarHBondContact N-O 3.04Å; F895-L981 HydrophobicContact CB-CD1 4.23Å; F895-L981 HydrophobicContact CD1-CD1 4.11Å; F895-L981 HydrophobicContact CG-CD1 4.5Å; F895-L981 CarbonylContact O-C 3.48Å; F895-T982 PolarHBondContact O-N 3.18Å
896V86.1Confident84.8Confident60 Ų6059.4 Ų59.436%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-119110173-1720000108.5E898 T982 R984V896-E898 HydrophobicContact CG1-CG 4.49Å; V896-T982 CarbonylContact C-O 3.49Å; V896-T982 WeakPolarHBondContact CA-O 3.37Å; V896-T982 HydrophobicContact CG1-CG2 4.18Å; V896-T982 HydrophobicContact CG2-CG2 4.44Å; V896-R984 HydrophobicContact CG1-CB 4.38Å; V896-R984 HydrophobicContact CG1-CG 3.98Å
897A85.3Confident84.9Confident6 Ų660.1 Ų60.15%0.0535%0.347CS..EExtended strand (participates in β ladder)trans-90.2148.8172.100000110.2F895 V909 Y910 L981 T982 V983 R984F895-A897 HydrophobicContact CD1-CB 4.32Å; F895-A897 HydrophobicContact CE1-CB 4.27Å; A897-V909 HydrophobicContact CB-CG1 4.12Å; A897-Y910 HydrophobicContact CB-CD2 4.06Å; A897-Y910 HydrophobicContact CB-CG 4.17Å; A897-L981 HydrophobicContact CB-CD1 4.19Å; A897-T982 PolarHBondContact N-O 3.12Å; A897-V983 HydrophobicContact CB-CG1 4.41Å; A897-V983 HydrophobicContact CB-CG2 4.44Å; A897-V983 CarbonylContact O-C 3.57Å; A897-V983 VanDerWaalsContact O-CA 3.25Å; A897-V983 WeakPolarHBondContact O-CA 3.29Å; A897-R984 PolarHBondContact O-N 2.98Å
898E86.1Confident85Confident113 Ų11359.9 Ų59.953%0.52835%0.351SS..EExtended strand (participates in β ladder)trans-124139.3-178.7-55.3-168.114200110V896 R984 L986V896-E898 HydrophobicContact CG1-CG 4.49Å; E898-R984 CarbonylContact C-O 3.49Å; E898-R984 WeakPolarHBondContact CA-O 3.2Å; E898-R984 HydrophobicContact CG-CB 4.34Å; E898-R984 IonicContact OE1-CZ 3.43Å; E898-R984 VanDerWaalsContact OE1-CZ 3.3Å; E898-R984 IonicContact OE1-NE 3.71Å; E898-R984 PolarHBondContact OE1-NE 2.96Å; E898-R984 IonicContact OE1-NH2 3.39Å; E898-R984 PolarHBondContact OE1-NH2 2.9Å; E898-L986 HydrophobicContact CB-CD1 3.84Å; E898-L986 HydrophobicContact CB-CD2 4.25Å; E898-L986 HydrophobicContact CB-CG 3.99Å
899I87.3Confident84.8Confident15 Ų1560.9 Ų60.98%0.07736%0.358CS..EExtended strand (participates in β ladder)trans-143.8135.9-175.5-173.4160.7000109.4T903 V907 V909 T949 L953 V983 R984 V985 L986I899-T903 HydrophobicContact CD1-CG2 3.97Å; I899-T903 HydrophobicContact CG1-CG2 4.01Å; I899-T903 WeakPolarHBondContact CG1-OG1 3.37Å; I899-V907 HydrophobicContact CD1-CG1 4.38Å; I899-V909 HydrophobicContact CD1-CG1 4.35Å; I899-V909 HydrophobicContact CD1-CG2 3.93Å; I899-T949 HydrophobicContact CD1-CG2 3.87Å; I899-L953 HydrophobicContact CB-CD1 4.4Å; I899-L953 HydrophobicContact CD1-CD1 4.06Å; I899-L953 HydrophobicContact CG1-CD1 4.16Å; I899-L953 HydrophobicContact CG2-CD1 3.55Å; I899-L953 VanDerWaalsContact CG2-CD1 3.45Å; I899-V983 HydrophobicContact CG2-CG1 3.72Å; I899-R984 VanDerWaalsContact CG2-O 3.27Å; I899-R984 WeakPolarHBondContact CG2-O 3.39Å; I899-R984 PolarHBondContact N-O 2.98Å; I899-V985 CarbonylContact O-C 3.48Å; I899-V985 VanDerWaalsContact O-CA 3.28Å; I899-V985 WeakPolarHBondContact O-CA 3.45Å; I899-L986 PolarHBondContact O-N 2.87Å
900L84.9Confident85Confident92.75 Ų92.7559 Ų5949%0.48634%0.341SS..EExtended strand (participates in β ladder)trans-67.8148.7176-68.6163.6000110.6T903 L986 V988L900-T903 HydrophobicContact CB-CG2 4.3Å; L900-T903 VanDerWaalsContact O-CB 3.29Å; L900-T903 WeakPolarHBondContact O-CB 3.27Å; L900-T903 WeakPolarHBondContact O-CG2 3.49Å; L900-T903 PolarHBondContact O-N 3.16Å; L900-T903 PolarHBondContact O-OG1 2.84Å; L900-L986 HydrophobicContact CD2-CB 3.97Å; L900-L986 HydrophobicContact CG-CB 4.39Å; L900-V988 HydrophobicContact CB-CG2 4.09Å; L900-V988 HydrophobicContact CD2-CG2 4.03Å; L900-V988 HydrophobicContact CG-CG2 4.48Å
901E86.5Confident85.1Confident22.25 Ų22.2562.5 Ų62.510%0.10436%0.358CS..THydrogen-bonded Turntrans-67.4165.1163.664.7-161.7129.100112.8T903 L953 R955 E956 V985 L986 D987 V988E901-T903 VanDerWaalsContact C-N 3.29Å; E901-T903 PolarHBondContact O-N 2.85Å; E901-T903 VanDerWaalsContact O-N 3.08Å; E901-L953 WeakPolarHBondContact CA-O 3.23Å; E901-L953 WeakPolarHBondContact CB-O 3.34Å; E901-R955 HydrophobicContact CB-CB 4.33Å; E901-R955 VanDerWaalsContact CD-CB 3.44Å; E901-R955 HydrophobicContact CG-CB 4.39Å; E901-R955 WeakPolarHBondContact OE1-CB 3.34Å; E901-R955 WeakPolarHBondContact OE1-CD 3.39Å; E901-R955 IonicContact OE1-NE 3.23Å; E901-R955 WeakPolarHBondContact OE2-CA 3.48Å; E901-R955 WeakPolarHBondContact OE2-CB 3.33Å; E901-R955 PolarHBondContact OE2-N 3.07Å; E901-E956 VanDerWaalsContact OE2-OE2 3.1Å; E901-V985 HydrophobicContact CB-CG1 3.75Å; E901-L986 PolarHBondContact N-O 3.08Å; E901-D987 VanDerWaalsContact OE1-CA 3.27Å; E901-D987 WeakPolarHBondContact OE1-CA 3.44Å; E901-V988 HydrophobicContact CG-CB 3.85Å; E901-V988 HydrophobicContact CG-CG2 4.01Å; E901-V988 PolarHBondContact OE1-N 3.08Å
902G80.6Confident85.3Confident41.25 Ų41.2553.5 Ų53.543%0.42532%0.324SS..THydrogen-bonded Turntrans65.94.9-168.100000114.3P904 L953G902-P904 VanDerWaalsContact O-CD 3.26Å; G902-P904 WeakPolarHBondContact O-CD 3.41Å; G902-L953 PolarHBondContact N-O 3.05Å
903T81.5Confident85.4Confident25.75 Ų25.7554.2 Ų54.216%0.15833%0.33CS..PPolyproline II helixtrans-70.2124.5176.9-42.90000110.4I899 L900 E901 V907 E952I899-T903 HydrophobicContact CD1-CG2 3.97Å; I899-T903 HydrophobicContact CG1-CG2 4.01Å; I899-T903 WeakPolarHBondContact CG1-OG1 3.37Å; L900-T903 HydrophobicContact CB-CG2 4.3Å; L900-T903 VanDerWaalsContact O-CB 3.29Å; L900-T903 WeakPolarHBondContact O-CB 3.27Å; L900-T903 WeakPolarHBondContact O-CG2 3.49Å; L900-T903 PolarHBondContact O-N 3.16Å; L900-T903 PolarHBondContact O-OG1 2.84Å; E901-T903 VanDerWaalsContact C-N 3.29Å; E901-T903 PolarHBondContact O-N 2.85Å; E901-T903 VanDerWaalsContact O-N 3.08Å; T903-V907 HydrophobicContact CG2-CB 3.76Å; T903-V907 HydrophobicContact CG2-CG1 3.88Å; T903-V907 HydrophobicContact CG2-CG2 3.84Å; T903-E952 WeakPolarHBondContact O-CA 3.27Å
904P79.6Confident85.5Confident79.25 Ų79.2553.8 Ų53.852%0.51533%0.329SS..PPolyproline II helixtrans-65.4161.9-177.1-13.420.1000114.8G902 V907 T949G902-P904 VanDerWaalsContact O-CD 3.26Å; G902-P904 WeakPolarHBondContact O-CD 3.41Å; P904-V907 VanDerWaalsContact O-CG2 3.27Å; P904-V907 WeakPolarHBondContact O-CG2 3.24Å; P904-T949 PolarHBondContact O-OG1 3.02Å; P904-T949 VanDerWaalsContact O-OG1 3.05Å
905A83.3Confident85.5Confident58.5 Ų58.551.9 Ų51.948%0.48331%0.312SS..THydrogen-bonded Turntrans-61.5140.5172.300000112.6T949 T950A905-T949 WeakPolarHBondContact CA-OG1 3.17Å; A905-T950 VanDerWaalsContact CB-C 3.44Å; A905-T950 WeakPolarHBondContact CB-O 3.29Å
906G83.9Confident85.6Confident54.5 Ų54.548.6 Ų48.656%0.56230%0.299SS*.THydrogen-bonded Turntrans97.13.5177.200000115.3T949G906-T949 VanDerWaalsContact CA-O 3.31Å; G906-T949 WeakPolarHBondContact CA-O 3.39Å; G906-T949 PolarHBondContact N-O 3.01Å; G906-T949 PolarHBondContact N-OG1 2.98Å; G906-T949 VanDerWaalsContact N-OG1 3.1Å
907V85.5Confident85.5Confident58.25 Ų58.2551.1 Ų51.135%0.35331%0.31SS..  trans-79.6138179.8173.40000110.8I899 T903 P904 V909 T948 T949I899-V907 HydrophobicContact CD1-CG1 4.38Å; T903-V907 HydrophobicContact CG2-CB 3.76Å; T903-V907 HydrophobicContact CG2-CG1 3.88Å; T903-V907 HydrophobicContact CG2-CG2 3.84Å; P904-V907 VanDerWaalsContact O-CG2 3.27Å; P904-V907 WeakPolarHBondContact O-CG2 3.24Å; V907-V909 PolarHBondContact O-N 3.22Å; V907-T948 CarbonylContact O-C 3.49Å; V907-T948 VanDerWaalsContact O-CA 3.23Å; V907-T948 WeakPolarHBondContact O-CA 3.27Å; V907-T949 HydrophobicContact CB-CG2 4.43Å; V907-T949 PolarHBondContact N-OG1 2.88Å; V907-T949 VanDerWaalsContact N-OG1 3.11Å; V907-T949 PolarHBondContact O-N 3.02Å
908S86.7Confident85.5Confident79 Ų7951.3 Ų51.355%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-74.5126.2174.5-80.30000111.4V946 V947 T948S908-V946 WeakPolarHBondContact OG-CG1 3.16Å; S908-V947 CarbonylContact C-O 3.55Å; S908-V947 WeakPolarHBondContact CA-O 3.49Å; S908-T948 WeakPolarHBondContact OG-CG2 3.09Å
909V84.5Confident85.3Confident23.75 Ų23.7552 Ų5214%0.14431%0.313CS..EExtended strand (participates in β ladder)trans-100-47-172-175.90000111.5A897 I899 V907 F938 V947 T949 V983A897-V909 HydrophobicContact CB-CG1 4.12Å; I899-V909 HydrophobicContact CD1-CG1 4.35Å; I899-V909 HydrophobicContact CD1-CG2 3.93Å; V907-V909 PolarHBondContact O-N 3.22Å; V909-F938 HydrophobicContact CB-CE1 4.45Å; V909-F938 HydrophobicContact CG1-CE1 4.26Å; V909-F938 HydrophobicContact CG2-CD1 3.99Å; V909-F938 HydrophobicContact CG2-CE1 3.85Å; V909-V947 HydrophobicContact CB-CB 4.48Å; V909-V947 HydrophobicContact CB-CG1 4.31Å; V909-V947 PolarHBondContact N-O 3.06Å; V909-T949 HydrophobicContact CG2-CG2 3.63Å; V909-V983 HydrophobicContact CG1-CB 4.43Å; V909-V983 HydrophobicContact CG1-CG1 3.96Å; V909-V983 HydrophobicContact CG1-CG2 4.02Å
910Y89.4Confident85Confident44.75 Ų44.7554.3 Ų54.318%0.17534%0.34CS..EExtended strand (participates in β ladder)trans-158.6161.2-178-161.8-114.7000111.6N892 L893 F895 A897 V912 V946 V947 L981N892-Y910 WeakPolarHBondContact CB-OH 3.25Å; N892-Y910 VanDerWaalsContact ND2-CE1 3.32Å; N892-Y910 WeakPolarHBondContact ND2-CE1 3.35Å; N892-Y910 PolarHBondContact ND2-OH 2.99Å; N892-Y910 VanDerWaalsContact ND2-OH 3.11Å; N892-Y910 WeakPolarHBondContact O-CE1 3.4Å; N892-Y910 PolarHBondContact O-OH 3.15Å; L893-Y910 HydrophobicContact CD2-CD1 4.41Å; L893-Y910 HydrophobicContact CD2-CE1 4.14Å; F895-Y910 HydrophobicContact CB-CE1 4.18Å; F895-Y910 HydrophobicContact CD1-CD1 4.26Å; F895-Y910 AromaticContact CD1-CD2 3.75Å; F895-Y910 HydrophobicContact CD1-CD2 3.75Å; F895-Y910 AromaticContact CD1-CE1 3.84Å; F895-Y910 HydrophobicContact CD1-CE1 3.94Å; F895-Y910 AromaticContact CD1-CE2 3.23Å; F895-Y910 HydrophobicContact CD1-CE2 3.23Å; F895-Y910 HydrophobicContact CD1-CG 4.24Å; F895-Y910 AromaticContact CD1-CZ 3.33Å; F895-Y910 VanDerWaalsContact CD1-CZ 3.43Å; F895-Y910 WeakPolarHBondContact CD1-OH 3.32Å; F895-Y910 HydrophobicContact CD2-CE2 4.1Å; F895-Y910 AromaticContact CD2-CZ 3.82Å; F895-Y910 VanDerWaalsContact CD2-OH 3.31Å; F895-Y910 WeakPolarHBondContact CD2-OH 3.48Å; F895-Y910 AromaticContact CE1-CD2 3.7Å; F895-Y910 HydrophobicContact CE1-CD2 3.7Å; F895-Y910 VanDerWaalsContact CE1-CD2 3.49Å; F895-Y910 AromaticContact CE1-CE2 3.18Å; F895-Y910 HydrophobicContact CE1-CE2 3.18Å; F895-Y910 HydrophobicContact CE1-CG 4.46Å; F895-Y910 AromaticContact CE1-CZ 3.75Å; F895-Y910 HydrophobicContact CE2-CE2 4.07Å; F895-Y910 HydrophobicContact CG-CD2 4.39Å; F895-Y910 AromaticContact CG-CE1 3.93Å; F895-Y910 HydrophobicContact CG-CE1 4.17Å; F895-Y910 AromaticContact CG-CE2 3.88Å; F895-Y910 HydrophobicContact CG-CE2 3.94Å; F895-Y910 AromaticContact CG-CZ 3.58Å; F895-Y910 VanDerWaalsContact CG-OH 3.25Å; F895-Y910 WeakPolarHBondContact CG-OH 3.32Å; F895-Y910 HydrophobicContact CZ-CD2 4.37Å; F895-Y910 AromaticContact CZ-CE2 3.85Å; F895-Y910 HydrophobicContact CZ-CE2 3.85Å; A897-Y910 HydrophobicContact CB-CD2 4.06Å; A897-Y910 HydrophobicContact CB-CG 4.17Å; Y910-V912 HydrophobicContact CD1-CG1 4.18Å; Y910-V912 HydrophobicContact CD1-CG2 4.23Å; Y910-V912 HydrophobicContact CE1-CG2 4.3Å; Y910-V946 CarbonylContact O-C 3.53Å; Y910-V946 VanDerWaalsContact O-CA 3.32Å; Y910-V946 WeakPolarHBondContact O-CA 3.27Å; Y910-V947 PolarHBondContact N-O 3.33Å; Y910-V947 PolarHBondContact O-N 3.16Å; Y910-L981 HydrophobicContact CD1-CD1 3.75Å; Y910-L981 VanDerWaalsContact CD1-CD1 3.45Å; Y910-L981 HydrophobicContact CD1-CD2 4.1Å; Y910-L981 HydrophobicContact CD1-CG 4.28Å; Y910-L981 HydrophobicContact CE1-CD1 4.23Å; Y910-L981 HydrophobicContact CG-CD1 4.01Å; Y910-L981 HydrophobicContact CG-CD2 4.34Å
911Q89.7Confident84.9Confident100.75 Ų100.7555.6 Ų55.647%0.47135%0.347SS..EExtended strand (participates in β ladder)trans-125.1126.1172.9-172.5176.24.800110.3N892 V913 S944 G945 V946N892-Q911 PolarHBondContact ND2-O 2.83Å; Q911-V913 HydrophobicContact CG-CG2 4.46Å; Q911-S944 WeakPolarHBondContact CG-O 3.25Å; Q911-S944 PolarHBondContact NE2-O 3.34Å; Q911-G945 WeakPolarHBondContact CA-O 3.44Å; Q911-V946 HydrophobicContact CB-CG2 4.15Å; Q911-V946 HydrophobicContact CG-CG2 3.76Å
912V88.1Confident84.7Confident0.75 Ų0.7556 Ų561%0.00535%0.35CS..  trans-93.1139.7-178.6-161.40000111.2F890 N892 L893 Y910 Y927 I940 G945 V947 V965F890-V912 HydrophobicContact CD1-CB 4.37Å; F890-V912 HydrophobicContact CD1-CG1 3.85Å; F890-V912 HydrophobicContact CE1-CB 4.12Å; F890-V912 HydrophobicContact CE1-CG1 3.41Å; F890-V912 VanDerWaalsContact CE1-CG1 3.45Å; F890-V912 HydrophobicContact CE1-CG2 4.26Å; F890-V912 HydrophobicContact CZ-CG1 4.23Å; N892-V912 WeakPolarHBondContact OD1-CA 3.05Å; L893-V912 HydrophobicContact CD1-CB 4.36Å; L893-V912 HydrophobicContact CD1-CG1 3.56Å; L893-V912 VanDerWaalsContact CD1-CG1 3.43Å; L893-V912 HydrophobicContact CD1-CG2 3.87Å; L893-V912 HydrophobicContact CD2-CG1 4.18Å; L893-V912 HydrophobicContact CD2-CG2 4.33Å; L893-V912 HydrophobicContact CG-CG1 4.04Å; L893-V912 HydrophobicContact CG-CG2 4.32Å; Y910-V912 HydrophobicContact CD1-CG1 4.18Å; Y910-V912 HydrophobicContact CD1-CG2 4.23Å; Y910-V912 HydrophobicContact CE1-CG2 4.3Å; V912-Y927 HydrophobicContact CB-CD1 4.23Å; V912-Y927 HydrophobicContact CG1-CD1 4.09Å; V912-Y927 HydrophobicContact CG1-CE1 4.22Å; V912-Y927 HydrophobicContact CG2-CD1 3.57Å; V912-Y927 HydrophobicContact CG2-CE1 3.75Å; V912-Y927 HydrophobicContact CG2-CG 4.25Å; V912-Y927 WeakPolarHBondContact O-CE1 3.37Å; V912-I940 HydrophobicContact CB-CD1 4.32Å; V912-I940 HydrophobicContact CG2-CD1 4.02Å; V912-G945 VanDerWaalsContact CG2-O 3.3Å; V912-G945 WeakPolarHBondContact CG2-O 3.08Å; V912-G945 PolarHBondContact N-O 3.05Å; V912-V947 HydrophobicContact CG2-CG2 4.24Å; V912-V965 HydrophobicContact CB-CG1 4.3Å; V912-V965 HydrophobicContact CG1-CG1 4.05Å; V912-V965 HydrophobicContact CG2-CG1 4.26Å; V912-V965 HydrophobicContact CG2-CG2 4.38Å
913V88.6Confident84.7Confident55.5 Ų55.555.2 Ų55.234%0.33634%0.342SS..  trans-135.9127.8-177.2-176.60000110.8R891 N892 Q911 Y927R891-V913 HydrophobicContact CB-CB 4.41Å; R891-V913 HydrophobicContact CB-CG1 4.33Å; R891-V913 PolarHBondContact N-O 2.93Å; N892-V913 PolarHBondContact N-O 3.11Å; N892-V913 PolarHBondContact OD1-N 2.89Å; N892-V913 PolarHBondContact OD1-O 3.05Å; Q911-V913 HydrophobicContact CG-CG2 4.46Å; V913-Y927 WeakPolarHBondContact CA-OH 3.33Å
914A87.7Confident84.9Confident7.75 Ų7.7558.7 Ų58.76%0.06436%0.359CS..EExtended strand (participates in β ladder)trans-124.9155167.100000110.9T889 F890 V925 Y927 A967T889-A914 CarbonylContact O-C 3.48Å; T889-A914 VanDerWaalsContact O-CA 3.24Å; T889-A914 WeakPolarHBondContact O-CA 3.29Å; T889-A914 VanDerWaalsContact O-CB 3.3Å; T889-A914 WeakPolarHBondContact O-CB 3.21Å; F890-A914 HydrophobicContact CD1-CB 3.98Å; F890-A914 HydrophobicContact CE1-CB 4.21Å; F890-A914 HydrophobicContact CG-CB 4.25Å; A914-V925 HydrophobicContact CB-CB 4.42Å; A914-V925 HydrophobicContact CB-CG1 3.94Å; A914-Y927 HydrophobicContact CB-CE1 4.04Å; A914-Y927 PolarHBondContact N-OH 3.26Å; A914-Y927 PolarHBondContact O-OH 3.3Å; A914-A967 HydrophobicContact CB-CB 3.91Å
915I85.4Confident85.4Confident62.75 Ų62.7556.2 Ų56.232%0.32234%0.342SS..EExtended strand (participates in β ladder)trans-126.8154.1178.341.3173.2000110.3P888 T889 R891 L917P888-I915 CarbonylContact C-O 3.46Å; P888-I915 VanDerWaalsContact CA-O 3.28Å; P888-I915 WeakPolarHBondContact CA-O 3.17Å; T889-I915 PolarHBondContact N-O 2.96Å; T889-I915 PolarHBondContact O-N 3.05Å; T889-I915 PolarHBondContact OG1-O 2.93Å; R891-I915 HydrophobicContact CB-CG2 4.48Å; R891-I915 HydrophobicContact CG-CD1 4.28Å; R891-I915 HydrophobicContact CG-CG1 4.07Å; R891-I915 HydrophobicContact CG-CG2 4.16Å; R891-I915 VanDerWaalsContact CZ-CD1 3.46Å; I915-L917 HydrophobicContact CD1-CD2 4.18Å
916D86.2Confident85.7Confident19.75 Ų19.7555.9 Ų55.911%0.10634%0.337CS..  trans-128.3158.3166.9-153.9-34.1000108.3N886 D887 P888 D918 N922 V925N886-D916 WeakPolarHBondContact CA-OD1 3.36Å; N886-D916 WeakPolarHBondContact CB-OD1 3.33Å; D887-D916 VanDerWaalsContact C-CG 3.43Å; D887-D916 VanDerWaalsContact CA-OD2 3.25Å; D887-D916 WeakPolarHBondContact CA-OD2 3.47Å; D887-D916 PolarHBondContact N-OD1 3.04Å; D887-D916 PolarHBondContact N-OD2 2.92Å; P888-D916 WeakPolarHBondContact CA-OD2 3.36Å; P888-D916 WeakPolarHBondContact CD-OD2 3.26Å; P888-D916 HydrophobicContact CG-CB 4.3Å; P888-D916 WeakPolarHBondContact CG-OD2 3.38Å; P888-D916 VanDerWaalsContact N-OD2 3.08Å; D916-D918 PolarHBondContact OD1-N 2.73Å; D916-N922 WeakPolarHBondContact CB-O 3.47Å; D916-V925 HydrophobicContact CB-CG2 3.71Å
917L84.4Confident86Confident112.75 Ų112.7554.6 Ų54.659%0.5932%0.315SS*.  trans-102.4-22-168.6-67.8179.1000114.6E843 N886 I915E843-L917 HydrophobicContact CB-CB 4.22Å; E843-L917 HydrophobicContact CG-CB 3.85Å; E843-L917 VanDerWaalsContact CG-O 3.32Å; E843-L917 WeakPolarHBondContact CG-O 3.46Å; N886-L917 HydrophobicContact CB-CB 4.03Å; I915-L917 HydrophobicContact CD1-CD2 4.18Å
918D86.1Confident86.2Confident10.25 Ų10.2558.5 Ų58.56%0.05532%0.323CS..SBendtrans-69.9162.2-177.8-58.4-22.9000112.4L883 N884 D885 N886 D916 G920 N922 G923L883-D918 WeakPolarHBondContact O-CB 3.48Å; L883-D918 VanDerWaalsContact O-OD2 3.09Å; N884-D918 VanDerWaalsContact C-OD2 3.28Å; N884-D918 VanDerWaalsContact CA-OD2 3.26Å; N884-D918 WeakPolarHBondContact CA-OD2 3.4Å; N884-D918 PolarHBondContact OD1-OD2 3.11Å; D885-D918 VanDerWaalsContact N-CG 3.26Å; D885-D918 PolarHBondContact N-OD1 3.03Å; D885-D918 VanDerWaalsContact N-OD1 3.12Å; D885-D918 PolarHBondContact N-OD2 3Å; N886-D918 WeakPolarHBondContact CA-OD2 3.24Å; N886-D918 VanDerWaalsContact CB-OD1 3.3Å; N886-D918 WeakPolarHBondContact CB-OD1 3.23Å; N886-D918 PolarHBondContact N-OD1 3Å; N886-D918 PolarHBondContact N-OD2 3.07Å; N886-D918 VanDerWaalsContact N-OD2 3.15Å; N886-D918 PolarHBondContact ND2-OD1 3Å; D916-D918 PolarHBondContact OD1-N 2.73Å; D918-G920 PolarHBondContact O-N 3.13Å; D918-N922 HydrophobicContact CB-CB 3.35Å; D918-N922 VanDerWaalsContact CB-CB 3.41Å; D918-G923 WeakPolarHBondContact O-CA 3.47Å; D918-G923 PolarHBondContact O-N 2.91Å; D918-G923 VanDerWaalsContact O-N 3.16Å
919E81Confident86.1Confident126.75 Ų126.7557 Ų5759%0.59231%0.308SS*.SBendtrans-82.3140.6-177.9-161.4175.1171.600113.3R842 D882 L921 N922 G923R842-E919 IonicContact CZ-OE2 2.78Å; R842-E919 IonicContact NH1-OE2 3.16Å; R842-E919 PolarHBondContact NH1-OE2 3.02Å; R842-E919 IonicContact NH2-OE2 3.75Å; D882-E919 HydrophobicContact CB-CB 3.93Å; D882-E919 HydrophobicContact CB-CG 4.45Å; D882-E919 VanDerWaalsContact CB-OE2 3.29Å; D882-E919 WeakPolarHBondContact CB-OE2 3.22Å; D882-E919 VanDerWaalsContact CG-N 3.28Å; D882-E919 WeakPolarHBondContact OD1-CA 3.36Å; D882-E919 WeakPolarHBondContact OD1-CB 3.43Å; D882-E919 PolarHBondContact OD1-N 2.74Å; D882-E919 WeakPolarHBondContact OD2-CA 3.4Å; D882-E919 WeakPolarHBondContact OD2-CB 3.45Å; D882-E919 PolarHBondContact OD2-N 2.97Å; E919-L921 PolarHBondContact O-N 3.01Å; E919-L921 VanDerWaalsContact O-N 3.08Å; E919-N922 WeakPolarHBondContact O-CB 3.34Å; E919-N922 PolarHBondContact O-N 3.1Å; E919-N922 PolarHBondContact O-ND2 2.74Å; E919-G923 PolarHBondContact O-N 2.59Å
920G81.8Confident85.8Confident62.25 Ų62.2560.5 Ų60.564%0.64232%0.323SS*.THydrogen-bonded Turntrans77.9-112.5164.200000114.9D918 N922 G923D918-G920 PolarHBondContact O-N 3.13Å; G920-N922 PolarHBondContact O-N 3.21Å; G920-G923 PolarHBondContact O-N 3.12Å
921L82.6Confident84.5Confident120.25 Ų120.2565.3 Ų65.363%0.6336%0.356SS*.THydrogen-bonded Turntrans-81.2-23.9-179.7-72.7177000112.9E919 G923 L924 A970 G971E919-L921 PolarHBondContact O-N 3.01Å; E919-L921 VanDerWaalsContact O-N 3.08Å; L921-G923 PolarHBondContact O-N 2.94Å; L921-L924 HydrophobicContact CD2-CD2 3.83Å; L921-L924 VanDerWaalsContact O-CB 3.32Å; L921-L924 WeakPolarHBondContact O-CB 3.28Å; L921-L924 PolarHBondContact O-N 2.93Å; L921-A970 HydrophobicContact CB-CB 4.41Å; L921-A970 HydrophobicContact CD2-CB 4.35Å; L921-A970 CarbonylContact O-C 3.49Å; L921-A970 VanDerWaalsContact O-C 3.29Å; L921-A970 WeakPolarHBondContact O-CA 3.38Å; L921-A970 WeakPolarHBondContact O-CB 3.25Å; L921-A970 PolarHBondContact O-N 2.96Å; L921-G971 PolarHBondContact O-N 3.04Å
922N81.8Confident82.8Confident32.25 Ų32.2563.8 Ų63.817%0.17237%0.368CS..THydrogen-bonded Turntrans-70.1-23.9178.1-57.8-21.1000109.6D882 N884 D916 D918 E919 G920 L924 D969 G971D882-N922 PolarHBondContact OD2-ND2 3.29Å; N884-N922 HydrophobicContact CB-CB 4.09Å; N884-N922 WeakPolarHBondContact CB-ND2 3.23Å; N884-N922 WeakPolarHBondContact CB-OD1 3.32Å; N884-N922 VanDerWaalsContact CG-CB 3.48Å; N884-N922 VanDerWaalsContact CG-CG 3.47Å; N884-N922 PolarHBondContact N-ND2 2.95Å; N884-N922 VanDerWaalsContact ND2-CA 3.33Å; N884-N922 WeakPolarHBondContact ND2-CA 3.36Å; N884-N922 VanDerWaalsContact ND2-CB 3.3Å; N884-N922 WeakPolarHBondContact ND2-CB 2.99Å; N884-N922 PolarHBondContact ND2-OD1 3.09Å; N884-N922 WeakPolarHBondContact OD1-CA 3.26Å; N884-N922 WeakPolarHBondContact OD1-CB 3.14Å; N884-N922 VanDerWaalsContact OD1-CG 3.29Å; N884-N922 PolarHBondContact OD1-ND2 2.9Å; N884-N922 PolarHBondContact OD1-OD1 3.01Å; D916-N922 WeakPolarHBondContact CB-O 3.47Å; D918-N922 HydrophobicContact CB-CB 3.35Å; D918-N922 VanDerWaalsContact CB-CB 3.41Å; E919-N922 WeakPolarHBondContact O-CB 3.34Å; E919-N922 PolarHBondContact O-N 3.1Å; E919-N922 PolarHBondContact O-ND2 2.74Å; G920-N922 PolarHBondContact O-N 3.21Å; N922-L924 VanDerWaalsContact C-N 3.33Å; N922-L924 PolarHBondContact O-N 3Å; N922-D969 WeakPolarHBondContact O-CB 3.21Å; N922-G971 VanDerWaalsContact OD1-CA 3.3Å; N922-G971 WeakPolarHBondContact OD1-CA 3.32Å
923G81.1Confident81.2Confident24.25 Ų24.2569.1 Ų69.125%0.2539%0.394CS..THydrogen-bonded Turntrans-89.12.3179.300000118.3D918 E919 G920 L921 V925D918-G923 WeakPolarHBondContact O-CA 3.47Å; D918-G923 PolarHBondContact O-N 2.91Å; D918-G923 VanDerWaalsContact O-N 3.16Å; E919-G923 PolarHBondContact O-N 2.59Å; G920-G923 PolarHBondContact O-N 3.12Å; L921-G923 PolarHBondContact O-N 2.94Å; G923-V925 PolarHBondContact O-N 3.02Å
924L86.3Confident79.5Confident99.25 Ų99.2571.6 Ų71.652%0.5241%0.411SS..  trans-103.8102.4-162.4-176.861.7000114.3L921 N922 S926 D969 A970L921-L924 HydrophobicContact CD2-CD2 3.83Å; L921-L924 VanDerWaalsContact O-CB 3.32Å; L921-L924 WeakPolarHBondContact O-CB 3.28Å; L921-L924 PolarHBondContact O-N 2.93Å; N922-L924 VanDerWaalsContact C-N 3.33Å; N922-L924 PolarHBondContact O-N 3Å; L924-S926 PolarHBondContact O-N 2.81Å; L924-D969 CarbonylContact O-C 3.57Å; L924-D969 VanDerWaalsContact O-C 3.25Å; L924-D969 WeakPolarHBondContact O-CA 3.32Å; L924-D969 WeakPolarHBondContact O-CB 3.34Å; L924-A970 HydrophobicContact CB-CB 4.21Å; L924-A970 HydrophobicContact CD2-CB 4.23Å; L924-A970 HydrophobicContact CG-CB 4.37Å; L924-A970 PolarHBondContact O-N 3.01Å
925V88.7Confident78.3Confident27 Ų2777.9 Ų77.916%0.16443%0.434CS..  trans-94146.1-169.8-168.80000115.3P888 A914 D916 G923 Y927 A967 S968 D969P888-V925 HydrophobicContact CB-CG1 4.2Å; P888-V925 HydrophobicContact CB-CG2 4.05Å; P888-V925 HydrophobicContact CG-CG2 4.36Å; A914-V925 HydrophobicContact CB-CB 4.42Å; A914-V925 HydrophobicContact CB-CG1 3.94Å; D916-V925 HydrophobicContact CB-CG2 3.71Å; G923-V925 PolarHBondContact O-N 3.02Å; V925-Y927 HydrophobicContact CG1-CE1 4.23Å; V925-Y927 HydrophobicContact CG1-CE2 4.23Å; V925-A967 HydrophobicContact CG1-CB 3.91Å; V925-S968 CarbonylContact C-O 3.39Å; V925-S968 WeakPolarHBondContact CA-O 3.19Å; V925-S968 WeakPolarHBondContact CG1-O 3.16Å; V925-D969 HydrophobicContact CG2-CB 4.47Å
926S90Very high77.6Confident52.25 Ų52.2582.2 Ų82.237%0.36545%0.454SS..EExtended strand (participates in β ladder)trans-134.4159.7175.565.90000113.2L924 S942 A967 S968L924-S926 PolarHBondContact O-N 2.81Å; S926-S942 CarbonylContact C-O 3.42Å; S926-S942 WeakPolarHBondContact CA-O 3.21Å; S926-A967 CarbonylContact O-C 3.49Å; S926-A967 WeakPolarHBondContact O-CA 3.3Å; S926-A967 VanDerWaalsContact O-CB 3.3Å; S926-A967 WeakPolarHBondContact O-CB 3.28Å; S926-S968 PolarHBondContact N-O 2.94Å; S926-S968 PolarHBondContact O-N 3.11Å; S926-S968 PolarHBondContact OG-O 2.97Å; S926-S968 PolarHBondContact OG-OG 2.56Å
927Y91.3Very high77.4Confident26.25 Ų26.2582 Ų8210%0.10345%0.453CS..EExtended strand (participates in β ladder)trans-126.1152.7-169.4-50.9-80.8000116F890 V912 V913 A914 V925 I940 S942 G945 V966 A967F890-Y927 HydrophobicContact CE1-CD1 4.27Å; F890-Y927 HydrophobicContact CE1-CE1 4.29Å; V912-Y927 HydrophobicContact CB-CD1 4.23Å; V912-Y927 HydrophobicContact CG1-CD1 4.09Å; V912-Y927 HydrophobicContact CG1-CE1 4.22Å; V912-Y927 HydrophobicContact CG2-CD1 3.57Å; V912-Y927 HydrophobicContact CG2-CE1 3.75Å; V912-Y927 HydrophobicContact CG2-CG 4.25Å; V912-Y927 WeakPolarHBondContact O-CE1 3.37Å; V913-Y927 WeakPolarHBondContact CA-OH 3.33Å; A914-Y927 HydrophobicContact CB-CE1 4.04Å; A914-Y927 PolarHBondContact N-OH 3.26Å; A914-Y927 PolarHBondContact O-OH 3.3Å; V925-Y927 HydrophobicContact CG1-CE1 4.23Å; V925-Y927 HydrophobicContact CG1-CE2 4.23Å; Y927-I940 HydrophobicContact CG-CD1 4.33Å; Y927-S942 WeakPolarHBondContact CB-O 3.46Å; Y927-S942 PolarHBondContact N-O 3.08Å; Y927-S942 VanDerWaalsContact O-CA 3.27Å; Y927-S942 WeakPolarHBondContact O-CA 3.09Å; Y927-S942 VanDerWaalsContact O-CB 3.26Å; Y927-S942 WeakPolarHBondContact O-CB 3.38Å; Y927-G945 VanDerWaalsContact CD2-CA 3.48Å; Y927-V966 CarbonylContact C-O 3.53Å; Y927-V966 WeakPolarHBondContact CA-O 3.3Å; Y927-A967 HydrophobicContact CD1-CB 4.11Å; Y927-A967 HydrophobicContact CE1-CB 4.09Å
928R89.2Confident77.5Confident141.25 Ų141.2577.4 Ų77.453%0.53343%0.429SS..EExtended strand (participates in β ladder)trans-156.7155.6167.561.8-178.4174.3-135.8-0.9113.3V965 V966 S968R928-V965 CarbonylContact O-C 3.52Å; R928-V965 VanDerWaalsContact O-CA 3.27Å; R928-V965 WeakPolarHBondContact O-CA 3.35Å; R928-V965 VanDerWaalsContact O-CG1 3.23Å; R928-V965 WeakPolarHBondContact O-CG1 3.24Å; R928-V966 HydrophobicContact CG-CB 3.85Å; R928-V966 HydrophobicContact CG-CG1 4.35Å; R928-V966 HydrophobicContact CG-CG2 4.37Å; R928-V966 PolarHBondContact N-O 3Å; R928-V966 PolarHBondContact O-N 3.09Å; R928-S968 PolarHBondContact NH1-OG 3.35Å; R928-S968 PolarHBondContact NH2-OG 3.22Å; R928-S968 VanDerWaalsContact NH2-OG 3.12Å
929M84.7Confident77.6Confident45.5 Ų45.580.6 Ų80.622%0.22445%0.448CS..EExtended strand (participates in β ladder)trans-87.2148.6168.4-87.5-166.2-126.100112.2M933 F938 V939 I940 V947 L963 R964 V965M929-M933 HydrophobicContact SD-CE 3.64Å; M929-M933 HydrophobicContact SD-SD 4.24Å; M929-F938 HydrophobicContact CE-CB 4.09Å; M929-F938 WeakPolarHBondContact CE-O 3.29Å; M929-F938 HydrophobicContact SD-CB 4.47Å; M929-V939 VanDerWaalsContact CE-C 3.44Å; M929-I940 HydrophobicContact CB-CB 4.4Å; M929-I940 HydrophobicContact CB-CG2 3.83Å; M929-I940 HydrophobicContact CE-CB 3.96Å; M929-I940 HydrophobicContact CE-CG2 4.23Å; M929-I940 HydrophobicContact CG-CB 4.14Å; M929-I940 HydrophobicContact CG-CD1 3.99Å; M929-I940 HydrophobicContact CG-CG2 3.71Å; M929-I940 VanDerWaalsContact N-CG2 3.34Å; M929-I940 HydrophobicContact SD-CB 4.34Å; M929-I940 HydrophobicContact SD-CG2 4.39Å; M929-V947 HydrophobicContact CE-CB 4.35Å; M929-V947 HydrophobicContact CE-CG1 3.68Å; M929-V947 HydrophobicContact CE-CG2 3.96Å; M929-L963 HydrophobicContact CE-CB 4.44Å; M929-L963 HydrophobicContact CE-CD1 4.01Å; M929-L963 HydrophobicContact SD-CB 4.2Å; M929-L963 HydrophobicContact SD-CD1 4.28Å; M929-L963 HydrophobicContact SD-CD2 3.66Å; M929-L963 HydrophobicContact SD-CG 4.18Å; M929-R964 CarbonylContact C-O 3.47Å; M929-R964 VanDerWaalsContact CA-O 3.27Å; M929-R964 WeakPolarHBondContact CA-O 3.19Å; M929-R964 VanDerWaalsContact CG-O 3.3Å; M929-R964 WeakPolarHBondContact CG-O 3.2Å; M929-V965 HydrophobicContact CG-CG2 4.24Å
930Q77.2Confident78Confident98.25 Ų98.2575.9 Ų75.946%0.45943%0.426SS..PPolyproline II helixtrans-89.7126.5177.1-168.5176.214.500111.2G932 R964 V966Q930-G932 PolarHBondContact O-N 3.02Å; Q930-R964 HydrophobicContact CB-CB 3.96Å; Q930-R964 PolarHBondContact N-O 3.01Å; Q930-R964 VanDerWaalsContact OE1-CD 3.29Å; Q930-V966 HydrophobicContact CB-CG2 4.05Å
931V61.7Low78.3Confident145 Ų14576.5 Ų76.588%0.87942%0.415SS*.SBendtrans-70.4120.9-176.2-178.50000111.4
932G55.3Low78.6Confident70 Ų7074.1 Ų74.172%0.72241%0.408SS*.  trans170.919.1174.600000116.1Q930Q930-G932 PolarHBondContact O-N 3.02Å
933M55.2Low78.7Confident112.25 Ų112.2578.2 Ų78.255%0.55344%0.435SS*.  trans-99.8154.4179.3-78.2-152.5-61.400112.1M929 R935 Y961 Q962 L963M929-M933 HydrophobicContact SD-CE 3.64Å; M929-M933 HydrophobicContact SD-SD 4.24Å; M933-R935 VanDerWaalsContact C-N 3.32Å; M933-R935 WeakPolarHBondContact CB-O 3.41Å; M933-R935 PolarHBondContact O-N 2.79Å; M933-Y961 HydrophobicContact CE-CD1 4.2Å; M933-Q962 WeakPolarHBondContact CE-O 3.3Å; M933-Q962 HydrophobicContact SD-CB 4.38Å; M933-Q962 PolarHBondContact SD-N 3.14Å; M933-Q962 VanDerWaalsContact SD-N 3.4Å; M933-Q962 VanDerWaalsContact SD-O 3.4Å; M933-L963 HydrophobicContact CE-CB 4.41Å; M933-L963 HydrophobicContact CE-CD2 3.82Å; M933-L963 HydrophobicContact CE-CG 3.92Å; M933-L963 HydrophobicContact SD-CD2 3.48Å; M933-L963 WeakPolarHBondContact SD-CD2 3.09Å
934P52.7Low78.9Confident107.25 Ų107.2579 Ų7970%0.69644%0.436SS*.SBendtrans-88.965.7-165.831.8-33.2000116
935R62.5Low79Confident141.25 Ų141.2574.3 Ų74.353%0.53341%0.412SS..  trans145.6153.4175.6-64.7-177.3125.8-178.83.4112.9M933 D937 I958M933-R935 VanDerWaalsContact C-N 3.32Å; M933-R935 WeakPolarHBondContact CB-O 3.41Å; M933-R935 PolarHBondContact O-N 2.79Å; R935-D937 VanDerWaalsContact CB-OD1 3.29Å; R935-D937 WeakPolarHBondContact CB-OD1 3.4Å; R935-D937 WeakPolarHBondContact CB-OD2 3.36Å; R935-D937 WeakPolarHBondContact CD-OD2 3.05Å; R935-D937 IonicContact CZ-OD1 3.58Å; R935-D937 IonicContact CZ-OD2 2.82Å; R935-D937 VanDerWaalsContact NE-CG 3.31Å; R935-D937 IonicContact NE-OD1 3.22Å; R935-D937 PolarHBondContact NE-OD1 2.86Å; R935-D937 IonicContact NE-OD2 2.9Å; R935-D937 PolarHBondContact NE-OD2 2.88Å; R935-D937 IonicContact NH1-OD1 3.78Å; R935-D937 IonicContact NH1-OD2 2.81Å; R935-D937 PolarHBondContact NH1-OD2 2.72Å; R935-D937 IonicContact NH2-OD1 2.68Å; R935-D937 PolarHBondContact NH2-OD1 2.82Å; R935-D937 IonicContact NH2-OD2 3.24Å; R935-D937 PolarHBondContact O-N 2.97Å; R935-D937 VanDerWaalsContact O-N 3.11Å; R935-I958 HydrophobicContact CG-CD1 4.46Å
936M69.6Low79.1Confident152.5 Ų152.574.6 Ų74.675%0.75141%0.414SS*.  trans-88.827.5-178.6-70.3-72-146.600111.8F938 T950M936-F938 PolarHBondContact O-N 2.99Å; M936-F938 VanDerWaalsContact O-N 3.17Å; M936-T950 VanDerWaalsContact C-OG1 3.23Å; M936-T950 WeakPolarHBondContact O-CB 3.24Å; M936-T950 VanDerWaalsContact O-CG2 3.28Å; M936-T950 WeakPolarHBondContact O-CG2 3.37Å; M936-T950 PolarHBondContact O-OG1 3.19Å
937D81.7Confident79Confident15.5 Ų15.572.1 Ų72.18%0.08340%0.396CS..  trans-70.6-10.7-167.9-58.2-12.4000112.9R935 T949 T950 L953 Y961R935-D937 VanDerWaalsContact CB-OD1 3.29Å; R935-D937 WeakPolarHBondContact CB-OD1 3.4Å; R935-D937 WeakPolarHBondContact CB-OD2 3.36Å; R935-D937 WeakPolarHBondContact CD-OD2 3.05Å; R935-D937 IonicContact CZ-OD1 3.58Å; R935-D937 IonicContact CZ-OD2 2.82Å; R935-D937 VanDerWaalsContact NE-CG 3.31Å; R935-D937 IonicContact NE-OD1 3.22Å; R935-D937 PolarHBondContact NE-OD1 2.86Å; R935-D937 IonicContact NE-OD2 2.9Å; R935-D937 PolarHBondContact NE-OD2 2.88Å; R935-D937 IonicContact NH1-OD1 3.78Å; R935-D937 IonicContact NH1-OD2 2.81Å; R935-D937 PolarHBondContact NH1-OD2 2.72Å; R935-D937 IonicContact NH2-OD1 2.68Å; R935-D937 PolarHBondContact NH2-OD1 2.82Å; R935-D937 IonicContact NH2-OD2 3.24Å; R935-D937 PolarHBondContact O-N 2.97Å; R935-D937 VanDerWaalsContact O-N 3.11Å; D937-T949 CarbonylContact O-C 3.53Å; D937-T949 VanDerWaalsContact O-CA 3.32Å; D937-T949 WeakPolarHBondContact O-CA 3.46Å; D937-T950 VanDerWaalsContact CA-OG1 3.24Å; D937-T950 WeakPolarHBondContact CA-OG1 3.26Å; D937-T950 PolarHBondContact O-N 2.94Å; D937-T950 PolarHBondContact O-OG1 3.12Å; D937-L953 HydrophobicContact CB-CD2 4.36Å; D937-Y961 HydrophobicContact CB-CE1 4.2Å; D937-Y961 VanDerWaalsContact OD2-CE1 3.26Å; D937-Y961 WeakPolarHBondContact OD2-CE1 3.34Å; D937-Y961 PolarHBondContact OD2-OH 2.96Å
938F87.2Confident78.9Confident16.75 Ų16.7572.6 Ų72.67%0.07340%0.402CS..EExtended strand (participates in β ladder)trans-138.9151.7178-56.1-88.6000113.3V909 M929 M936 V947 T948 T949 L953 Y961 L963 V983V909-F938 HydrophobicContact CB-CE1 4.45Å; V909-F938 HydrophobicContact CG1-CE1 4.26Å; V909-F938 HydrophobicContact CG2-CD1 3.99Å; V909-F938 HydrophobicContact CG2-CE1 3.85Å; M929-F938 HydrophobicContact CE-CB 4.09Å; M929-F938 WeakPolarHBondContact CE-O 3.29Å; M929-F938 HydrophobicContact SD-CB 4.47Å; M936-F938 PolarHBondContact O-N 2.99Å; M936-F938 VanDerWaalsContact O-N 3.17Å; F938-V947 HydrophobicContact CB-CG1 4.16Å; F938-V947 HydrophobicContact CD1-CG1 4.22Å; F938-V947 HydrophobicContact CG-CG1 4.44Å; F938-T948 CarbonylContact C-O 3.5Å; F938-T948 VanDerWaalsContact CA-O 3.29Å; F938-T948 WeakPolarHBondContact CA-O 3.26Å; F938-T949 HydrophobicContact CD1-CG2 4.32Å; F938-T949 HydrophobicContact CE1-CG2 4.04Å; F938-L953 HydrophobicContact CE1-CD1 4.11Å; F938-L953 HydrophobicContact CE1-CD2 4.34Å; F938-L953 HydrophobicContact CE2-CD2 4.2Å; F938-L953 HydrophobicContact CZ-CD1 3.82Å; F938-L953 HydrophobicContact CZ-CD2 3.82Å; F938-L953 HydrophobicContact CZ-CG 4.46Å; F938-Y961 HydrophobicContact CD2-CD1 4.27Å; F938-Y961 HydrophobicContact CD2-CE1 4.36Å; F938-Y961 HydrophobicContact CD2-CG 4.45Å; F938-Y961 AromaticContact CE2-CD1 3.68Å; F938-Y961 HydrophobicContact CE2-CD1 3.68Å; F938-Y961 AromaticContact CE2-CD2 3.83Å; F938-Y961 HydrophobicContact CE2-CD2 3.83Å; F938-Y961 AromaticContact CE2-CE1 3.83Å; F938-Y961 HydrophobicContact CE2-CE1 3.94Å; F938-Y961 AromaticContact CE2-CE2 3.93Å; F938-Y961 HydrophobicContact CE2-CE2 4.04Å; F938-Y961 AromaticContact CE2-CG 3.71Å; F938-Y961 HydrophobicContact CE2-CG 3.71Å; F938-Y961 AromaticContact CE2-CZ 3.9Å; F938-Y961 HydrophobicContact CZ-CD1 4.5Å; F938-Y961 HydrophobicContact CZ-CD2 4.15Å; F938-Y961 HydrophobicContact CZ-CE2 4.35Å; F938-Y961 HydrophobicContact CZ-CG 4.34Å; F938-L963 HydrophobicContact CB-CD1 4.07Å; F938-L963 HydrophobicContact CB-CD2 4.19Å; F938-L963 HydrophobicContact CD1-CD1 4.32Å; F938-L963 HydrophobicContact CD2-CD1 4.2Å; F938-L963 HydrophobicContact CD2-CD2 3.99Å; F938-L963 HydrophobicContact CE2-CD2 4.46Å; F938-L963 HydrophobicContact CG-CD1 3.96Å; F938-L963 HydrophobicContact CG-CD2 4.35Å; F938-V983 HydrophobicContact CE1-CB 4.45Å; F938-V983 HydrophobicContact CE1-CG1 4.15Å; F938-V983 HydrophobicContact CE1-CG2 4.15Å; F938-V983 HydrophobicContact CE2-CG2 4.46Å; F938-V983 HydrophobicContact CZ-CB 4.2Å; F938-V983 HydrophobicContact CZ-CG1 3.98Å; F938-V983 HydrophobicContact CZ-CG2 4.01Å
939V87.9Confident78.9Confident75.75 Ų75.7566.1 Ų66.146%0.45938%0.378SS..EExtended strand (participates in β ladder)trans-140.4153.6173.147.70000111.5M929 V947 T948 T950M929-V939 VanDerWaalsContact CE-C 3.44Å; V939-V947 CarbonylContact O-C 3.41Å; V939-V947 VanDerWaalsContact O-CA 3.23Å; V939-V947 WeakPolarHBondContact O-CA 3.26Å; V939-V947 WeakPolarHBondContact O-CG1 3.47Å; V939-T948 VanDerWaalsContact CG1-OG1 3.27Å; V939-T948 WeakPolarHBondContact CG1-OG1 3.31Å; V939-T948 WeakPolarHBondContact CG2-OG1 3.49Å; V939-T948 PolarHBondContact N-O 2.93Å; V939-T948 PolarHBondContact O-N 3.16Å; V939-T948 PolarHBondContact O-OG1 2.95Å; V939-T948 VanDerWaalsContact O-OG1 3.12Å; V939-T950 HydrophobicContact CB-CG2 3.98Å; V939-T950 HydrophobicContact CG1-CG2 3.63Å; V939-T950 HydrophobicContact CG2-CG2 3.75Å
940I89.7Confident78.9Confident28.25 Ų28.2567.1 Ų67.115%0.14539%0.387CS..EExtended strand (participates in β ladder)trans-118.3143.7178.4-163.9168.5000112.9V912 Y927 M929 S942 G945 V946 V947 V965V912-I940 HydrophobicContact CB-CD1 4.32Å; V912-I940 HydrophobicContact CG2-CD1 4.02Å; Y927-I940 HydrophobicContact CG-CD1 4.33Å; M929-I940 HydrophobicContact CB-CB 4.4Å; M929-I940 HydrophobicContact CB-CG2 3.83Å; M929-I940 HydrophobicContact CE-CB 3.96Å; M929-I940 HydrophobicContact CE-CG2 4.23Å; M929-I940 HydrophobicContact CG-CB 4.14Å; M929-I940 HydrophobicContact CG-CD1 3.99Å; M929-I940 HydrophobicContact CG-CG2 3.71Å; M929-I940 VanDerWaalsContact N-CG2 3.34Å; M929-I940 HydrophobicContact SD-CB 4.34Å; M929-I940 HydrophobicContact SD-CG2 4.39Å; I940-S942 PolarHBondContact O-N 2.93Å; I940-G945 WeakPolarHBondContact CD1-O 3.36Å; I940-V946 CarbonylContact C-O 3.52Å; I940-V946 VanDerWaalsContact CA-O 3.27Å; I940-V946 WeakPolarHBondContact CA-O 3.24Å; I940-V946 WeakPolarHBondContact CG1-O 3.32Å; I940-V947 HydrophobicContact CB-CG2 4.17Å; I940-V947 HydrophobicContact CD1-CG2 3.94Å; I940-V947 HydrophobicContact CG1-CG2 3.88Å; I940-V965 HydrophobicContact CD1-CG1 3.7Å; I940-V965 HydrophobicContact CD1-CG2 4.22Å
941N88.4Confident79.1Confident75.5 Ų75.563.9 Ų63.940%0.40438%0.378SS..  trans-85131.2169.9-177.7-59.4000111.4T943 S944 G945 V946N941-T943 VanDerWaalsContact C-N 3.25Å; N941-T943 PolarHBondContact O-N 3.3Å; N941-T943 PolarHBondContact OD1-N 3.05Å; N941-T943 VanDerWaalsContact OD1-N 3.14Å; N941-T943 PolarHBondContact OD1-OG1 3.09Å; N941-T943 VanDerWaalsContact OD1-OG1 3.12Å; N941-S944 VanDerWaalsContact CB-OG 3.29Å; N941-S944 WeakPolarHBondContact CB-OG 3.27Å; N941-S944 PolarHBondContact OD1-N 3.07Å; N941-S944 PolarHBondContact OD1-OG 3.18Å; N941-G945 VanDerWaalsContact O-CA 3.24Å; N941-G945 WeakPolarHBondContact O-CA 3.43Å; N941-G945 PolarHBondContact O-N 3.25Å; N941-G945 VanDerWaalsContact O-N 3.13Å; N941-V946 HydrophobicContact CB-CB 4.45Å; N941-V946 PolarHBondContact N-O 3.04Å
942S87.5Confident80.2Confident69.25 Ų69.2563.3 Ų63.348%0.48437%0.365SS..THydrogen-bonded Turntrans-76.4-18-171.757.70000116.3S926 Y927 I940S926-S942 CarbonylContact C-O 3.42Å; S926-S942 WeakPolarHBondContact CA-O 3.21Å; Y927-S942 WeakPolarHBondContact CB-O 3.46Å; Y927-S942 PolarHBondContact N-O 3.08Å; Y927-S942 VanDerWaalsContact O-CA 3.27Å; Y927-S942 WeakPolarHBondContact O-CA 3.09Å; Y927-S942 VanDerWaalsContact O-CB 3.26Å; Y927-S942 WeakPolarHBondContact O-CB 3.38Å; I940-S942 PolarHBondContact O-N 2.93Å
943T84.9Confident81.6Confident118.5 Ų118.560.3 Ų60.373%0.72733%0.332SS*.THydrogen-bonded Turntrans-109.1-31.3179.526.40000112.7N941N941-T943 VanDerWaalsContact C-N 3.25Å; N941-T943 PolarHBondContact O-N 3.3Å; N941-T943 PolarHBondContact OD1-N 3.05Å; N941-T943 VanDerWaalsContact OD1-N 3.14Å; N941-T943 PolarHBondContact OD1-OG1 3.09Å; N941-T943 VanDerWaalsContact OD1-OG1 3.12Å
944S86.1Confident83.1Confident41.25 Ų41.2557.3 Ų57.329%0.28832%0.318SS..THydrogen-bonded Turntrans-96.1-18.6177.568.70000114.3Q911 N941 V946Q911-S944 WeakPolarHBondContact CG-O 3.25Å; Q911-S944 PolarHBondContact NE2-O 3.34Å; N941-S944 VanDerWaalsContact CB-OG 3.29Å; N941-S944 WeakPolarHBondContact CB-OG 3.27Å; N941-S944 PolarHBondContact OD1-N 3.07Å; N941-S944 PolarHBondContact OD1-OG 3.18Å; S944-V946 VanDerWaalsContact C-N 3.32Å; S944-V946 PolarHBondContact O-N 2.98Å; S944-V946 VanDerWaalsContact O-N 3.16Å; S944-V946 WeakPolarHBondContact OG-CG2 3.29Å; S944-V946 PolarHBondContact OG-N 3Å
945G87.2Confident84.7Confident0 Ų054.2 Ų54.20%029%0.293CS..  trans73.95.9-176.900000114.9Q911 V912 Y927 I940 N941 V947Q911-G945 WeakPolarHBondContact CA-O 3.44Å; V912-G945 VanDerWaalsContact CG2-O 3.3Å; V912-G945 WeakPolarHBondContact CG2-O 3.08Å; V912-G945 PolarHBondContact N-O 3.05Å; Y927-G945 VanDerWaalsContact CD2-CA 3.48Å; I940-G945 WeakPolarHBondContact CD1-O 3.36Å; N941-G945 VanDerWaalsContact O-CA 3.24Å; N941-G945 WeakPolarHBondContact O-CA 3.43Å; N941-G945 PolarHBondContact O-N 3.25Å; N941-G945 VanDerWaalsContact O-N 3.13Å; G945-V947 PolarHBondContact O-N 2.7Å
946V90.3Very high85.8Confident34.25 Ų34.2551.8 Ų51.821%0.20829%0.288CS..EExtended strand (participates in β ladder)trans-73.3130.2-178.5179.40000111.4S908 Y910 Q911 I940 N941 S944 T948S908-V946 WeakPolarHBondContact OG-CG1 3.16Å; Y910-V946 CarbonylContact O-C 3.53Å; Y910-V946 VanDerWaalsContact O-CA 3.32Å; Y910-V946 WeakPolarHBondContact O-CA 3.27Å; Q911-V946 HydrophobicContact CB-CG2 4.15Å; Q911-V946 HydrophobicContact CG-CG2 3.76Å; I940-V946 CarbonylContact C-O 3.52Å; I940-V946 VanDerWaalsContact CA-O 3.27Å; I940-V946 WeakPolarHBondContact CA-O 3.24Å; I940-V946 WeakPolarHBondContact CG1-O 3.32Å; N941-V946 HydrophobicContact CB-CB 4.45Å; N941-V946 PolarHBondContact N-O 3.04Å; S944-V946 VanDerWaalsContact C-N 3.32Å; S944-V946 PolarHBondContact O-N 2.98Å; S944-V946 VanDerWaalsContact O-N 3.16Å; S944-V946 WeakPolarHBondContact OG-CG2 3.29Å; S944-V946 PolarHBondContact OG-N 3Å; V946-T948 HydrophobicContact CG1-CG2 4.19Å
947V88.9Confident86.5Confident0.25 Ų0.2552.3 Ų52.30%0.00228%0.281CS..EExtended strand (participates in β ladder)trans-101134.5174.2179.90000109.9S908 V909 Y910 V912 M929 F938 V939 I940 G945 L963 L981S908-V947 CarbonylContact C-O 3.55Å; S908-V947 WeakPolarHBondContact CA-O 3.49Å; V909-V947 HydrophobicContact CB-CB 4.48Å; V909-V947 HydrophobicContact CB-CG1 4.31Å; V909-V947 PolarHBondContact N-O 3.06Å; Y910-V947 PolarHBondContact N-O 3.33Å; Y910-V947 PolarHBondContact O-N 3.16Å; V912-V947 HydrophobicContact CG2-CG2 4.24Å; M929-V947 HydrophobicContact CE-CB 4.35Å; M929-V947 HydrophobicContact CE-CG1 3.68Å; M929-V947 HydrophobicContact CE-CG2 3.96Å; F938-V947 HydrophobicContact CB-CG1 4.16Å; F938-V947 HydrophobicContact CD1-CG1 4.22Å; F938-V947 HydrophobicContact CG-CG1 4.44Å; V939-V947 CarbonylContact O-C 3.41Å; V939-V947 VanDerWaalsContact O-CA 3.23Å; V939-V947 WeakPolarHBondContact O-CA 3.26Å; V939-V947 WeakPolarHBondContact O-CG1 3.47Å; I940-V947 HydrophobicContact CB-CG2 4.17Å; I940-V947 HydrophobicContact CD1-CG2 3.94Å; I940-V947 HydrophobicContact CG1-CG2 3.88Å; G945-V947 PolarHBondContact O-N 2.7Å; V947-L963 HydrophobicContact CG1-CD1 4.22Å; V947-L981 HydrophobicContact CB-CD2 4.46Å; V947-L981 HydrophobicContact CG1-CD2 4.4Å; V947-L981 HydrophobicContact CG2-CD2 4.02Å
948T88.8Confident86.5Confident36.75 Ų36.7553.8 Ų53.823%0.22529%0.289CS..EExtended strand (participates in β ladder)trans-130.1150.6-179.453.10000112.7V907 S908 F938 V939 V946V907-T948 CarbonylContact O-C 3.49Å; V907-T948 VanDerWaalsContact O-CA 3.23Å; V907-T948 WeakPolarHBondContact O-CA 3.27Å; S908-T948 WeakPolarHBondContact OG-CG2 3.09Å; F938-T948 CarbonylContact C-O 3.5Å; F938-T948 VanDerWaalsContact CA-O 3.29Å; F938-T948 WeakPolarHBondContact CA-O 3.26Å; V939-T948 VanDerWaalsContact CG1-OG1 3.27Å; V939-T948 WeakPolarHBondContact CG1-OG1 3.31Å; V939-T948 WeakPolarHBondContact CG2-OG1 3.49Å; V939-T948 PolarHBondContact N-O 2.93Å; V939-T948 PolarHBondContact O-N 3.16Å; V939-T948 PolarHBondContact O-OG1 2.95Å; V939-T948 VanDerWaalsContact O-OG1 3.12Å; V946-T948 HydrophobicContact CG1-CG2 4.19Å
949T88.4Confident86.3Confident3.75 Ų3.7555.4 Ų55.42%0.02331%0.305CS..EExtended strand (participates in β ladder)trans-72.4153.3173.161.80000112.5I899 P904 A905 G906 V907 V909 D937 F938 A951 L953I899-T949 HydrophobicContact CD1-CG2 3.87Å; P904-T949 PolarHBondContact O-OG1 3.02Å; P904-T949 VanDerWaalsContact O-OG1 3.05Å; A905-T949 WeakPolarHBondContact CA-OG1 3.17Å; G906-T949 VanDerWaalsContact CA-O 3.31Å; G906-T949 WeakPolarHBondContact CA-O 3.39Å; G906-T949 PolarHBondContact N-O 3.01Å; G906-T949 PolarHBondContact N-OG1 2.98Å; G906-T949 VanDerWaalsContact N-OG1 3.1Å; V907-T949 HydrophobicContact CB-CG2 4.43Å; V907-T949 PolarHBondContact N-OG1 2.88Å; V907-T949 VanDerWaalsContact N-OG1 3.11Å; V907-T949 PolarHBondContact O-N 3.02Å; V909-T949 HydrophobicContact CG2-CG2 3.63Å; D937-T949 CarbonylContact O-C 3.53Å; D937-T949 VanDerWaalsContact O-CA 3.32Å; D937-T949 WeakPolarHBondContact O-CA 3.46Å; F938-T949 HydrophobicContact CD1-CG2 4.32Å; F938-T949 HydrophobicContact CE1-CG2 4.04Å; T949-A951 WeakPolarHBondContact CB-O 3.45Å; T949-L953 HydrophobicContact CG2-CD1 3.92Å; T949-L953 HydrophobicContact CG2-CG 4.15Å
950T84.6Confident86.2Confident66.25 Ų66.2555.6 Ų55.641%0.40630%0.301SS..SBendtrans-120.1-8170.870.90000114.4A905 M936 D937 V939A905-T950 VanDerWaalsContact CB-C 3.44Å; A905-T950 WeakPolarHBondContact CB-O 3.29Å; M936-T950 VanDerWaalsContact C-OG1 3.23Å; M936-T950 WeakPolarHBondContact O-CB 3.24Å; M936-T950 VanDerWaalsContact O-CG2 3.28Å; M936-T950 WeakPolarHBondContact O-CG2 3.37Å; M936-T950 PolarHBondContact O-OG1 3.19Å; D937-T950 VanDerWaalsContact CA-OG1 3.24Å; D937-T950 WeakPolarHBondContact CA-OG1 3.26Å; D937-T950 PolarHBondContact O-N 2.94Å; D937-T950 PolarHBondContact O-OG1 3.12Å; V939-T950 HydrophobicContact CB-CG2 3.98Å; V939-T950 HydrophobicContact CG1-CG2 3.63Å; V939-T950 HydrophobicContact CG2-CG2 3.75Å
951A82.7Confident85.9Confident32.5 Ų32.555.4 Ų55.427%0.26930%0.299SS..SBendtrans-138.6168.8178.200000110.9T949T949-A951 WeakPolarHBondContact CB-O 3.45Å
952E84.3Confident85.7Confident130.5 Ų130.557.7 Ų57.761%0.6131%0.307SS*.  trans-81.3141.1170-150.8165.9-16800110.4T903T903-E952 WeakPolarHBondContact O-CA 3.27Å
953L85.7Confident85.6Confident7.25 Ų7.2555.3 Ų55.34%0.03829%0.289CS..  trans-103.7147.9-172.5-56.3178.9000111.2I899 E901 G902 D937 F938 T949 Y961 V985I899-L953 HydrophobicContact CB-CD1 4.4Å; I899-L953 HydrophobicContact CD1-CD1 4.06Å; I899-L953 HydrophobicContact CG1-CD1 4.16Å; I899-L953 HydrophobicContact CG2-CD1 3.55Å; I899-L953 VanDerWaalsContact CG2-CD1 3.45Å; E901-L953 WeakPolarHBondContact CA-O 3.23Å; E901-L953 WeakPolarHBondContact CB-O 3.34Å; G902-L953 PolarHBondContact N-O 3.05Å; D937-L953 HydrophobicContact CB-CD2 4.36Å; F938-L953 HydrophobicContact CE1-CD1 4.11Å; F938-L953 HydrophobicContact CE1-CD2 4.34Å; F938-L953 HydrophobicContact CE2-CD2 4.2Å; F938-L953 HydrophobicContact CZ-CD1 3.82Å; F938-L953 HydrophobicContact CZ-CD2 3.82Å; F938-L953 HydrophobicContact CZ-CG 4.46Å; T949-L953 HydrophobicContact CG2-CD1 3.92Å; T949-L953 HydrophobicContact CG2-CG 4.15Å; L953-Y961 HydrophobicContact CD2-CE2 4.19Å; L953-Y961 WeakPolarHBondContact CD2-OH 3.43Å; L953-V985 HydrophobicContact CB-CG1 4.3Å; L953-V985 HydrophobicContact CB-CG2 4.28Å; L953-V985 HydrophobicContact CD1-CG2 4.36Å
954D85.3Confident85.7Confident49.25 Ų49.2556.3 Ų56.326%0.26328%0.279SS..  trans-146120.2-173.8133.319000107.2R957 I958D954-R957 HydrophobicContact CB-CB 4.43Å; D954-R957 VanDerWaalsContact OD1-CB 3.26Å; D954-R957 WeakPolarHBondContact OD1-CB 3.2Å; D954-R957 WeakPolarHBondContact OD1-CG 3.01Å; D954-R957 PolarHBondContact OD1-N 3.02Å; D954-R957 VanDerWaalsContact OD2-CB 3.26Å; D954-R957 WeakPolarHBondContact OD2-CB 3.45Å; D954-R957 VanDerWaalsContact OD2-CD 3.26Å; D954-R957 WeakPolarHBondContact OD2-CD 3.22Å; D954-R957 IonicContact OD2-CZ 3.11Å; D954-R957 VanDerWaalsContact OD2-CZ 3.3Å; D954-R957 IonicContact OD2-NE 2.92Å; D954-R957 PolarHBondContact OD2-NE 3Å; D954-R957 IonicContact OD2-NH1 2.94Å; D954-R957 PolarHBondContact OD2-NH1 3.01Å; D954-R957 IonicContact OD2-NH2 3.18Å; D954-I958 PolarHBondContact O-N 3.07Å; D954-I958 VanDerWaalsContact O-N 3.15Å
955R87.7Confident85.9Confident42.75 Ų42.7554.4 Ų54.416%0.16127%0.266CS..THydrogen-bonded Turntrans-82.7-38.4-166.3-173.7-156.880.888.74112.2E901 R957 I958 A959 V985 D987 N1022E901-R955 HydrophobicContact CB-CB 4.33Å; E901-R955 VanDerWaalsContact CD-CB 3.44Å; E901-R955 HydrophobicContact CG-CB 4.39Å; E901-R955 WeakPolarHBondContact OE1-CB 3.34Å; E901-R955 WeakPolarHBondContact OE1-CD 3.39Å; E901-R955 IonicContact OE1-NE 3.23Å; E901-R955 WeakPolarHBondContact OE2-CA 3.48Å; E901-R955 WeakPolarHBondContact OE2-CB 3.33Å; E901-R955 PolarHBondContact OE2-N 3.07Å; R955-R957 CarbonylContact O-C 3.47Å; R955-R957 PolarHBondContact O-N 3.05Å; R955-R957 VanDerWaalsContact O-N 3.13Å; R955-I958 CarbonylContact O-C 3.55Å; R955-I958 VanDerWaalsContact O-C 3.26Å; R955-I958 PolarHBondContact O-N 2.78Å; R955-I958 VanDerWaalsContact O-N 3.1Å; R955-A959 HydrophobicContact CG-CB 3.82Å; R955-A959 PolarHBondContact O-N 2.89Å; R955-V985 HydrophobicContact CB-CB 4.13Å; R955-V985 HydrophobicContact CB-CG1 3.9Å; R955-V985 HydrophobicContact CG-CB 4.27Å; R955-V985 HydrophobicContact CG-CG1 4.33Å; R955-D987 WeakPolarHBondContact CD-OD1 3.03Å; R955-D987 IonicContact CZ-OD1 3.33Å; R955-D987 VanDerWaalsContact NE-CB 3.31Å; R955-D987 VanDerWaalsContact NE-CG 3.32Å; R955-D987 IonicContact NE-OD1 2.74Å; R955-D987 PolarHBondContact NE-OD1 3.28Å; R955-D987 IonicContact NH1-OD1 3.69Å; R955-D987 PolarHBondContact NH1-OD1 3.07Å; R955-D987 IonicContact NH2-OD1 3.45Å; R955-D987 PolarHBondContact NH2-OD1 3.02Å; R955-D987 IonicContact NH2-OD2 2.79Å; R955-N1022 PolarHBondContact NH2-O 2.89Å
956E85.7Confident86Confident91.5 Ų91.555 Ų5543%0.42827%0.269SS..THydrogen-bonded Turntrans-59.2-25.8177-73.553.3-106.800110.5E901 E991 N1022E901-E956 VanDerWaalsContact OE2-OE2 3.1Å; E956-E991 HydrophobicContact CG-CG 4.14Å; E956-N1022 HydrophobicContact CG-CB 3.7Å; E956-N1022 WeakPolarHBondContact CG-O 3.39Å
957R82.6Confident86Confident161.5 Ų161.553.4 Ų53.461%0.60926%0.259SS*.THydrogen-bonded Turntrans-87.7-50.3171.4-146.4-172.6129.3157.16.1114.4D954 R955D954-R957 HydrophobicContact CB-CB 4.43Å; D954-R957 VanDerWaalsContact OD1-CB 3.26Å; D954-R957 WeakPolarHBondContact OD1-CB 3.2Å; D954-R957 WeakPolarHBondContact OD1-CG 3.01Å; D954-R957 PolarHBondContact OD1-N 3.02Å; D954-R957 VanDerWaalsContact OD2-CB 3.26Å; D954-R957 WeakPolarHBondContact OD2-CB 3.45Å; D954-R957 VanDerWaalsContact OD2-CD 3.26Å; D954-R957 WeakPolarHBondContact OD2-CD 3.22Å; D954-R957 IonicContact OD2-CZ 3.11Å; D954-R957 VanDerWaalsContact OD2-CZ 3.3Å; D954-R957 IonicContact OD2-NE 2.92Å; D954-R957 PolarHBondContact OD2-NE 3Å; D954-R957 IonicContact OD2-NH1 2.94Å; D954-R957 PolarHBondContact OD2-NH1 3.01Å; D954-R957 IonicContact OD2-NH2 3.18Å; R955-R957 CarbonylContact O-C 3.47Å; R955-R957 PolarHBondContact O-N 3.05Å; R955-R957 VanDerWaalsContact O-N 3.13Å
958I82.6Confident86.1Confident48 Ų4854.4 Ų54.425%0.24627%0.267CS..  trans-146.9108.6-177.2-53-179.3000112.2R935 D954 R955 E960 Y961 V985R935-I958 HydrophobicContact CG-CD1 4.46Å; D954-I958 PolarHBondContact O-N 3.07Å; D954-I958 VanDerWaalsContact O-N 3.15Å; R955-I958 CarbonylContact O-C 3.55Å; R955-I958 VanDerWaalsContact O-C 3.26Å; R955-I958 PolarHBondContact O-N 2.78Å; R955-I958 VanDerWaalsContact O-N 3.1Å; I958-E960 WeakPolarHBondContact CG2-O 3.39Å; I958-E960 PolarHBondContact O-N 3.09Å; I958-Y961 HydrophobicContact CB-CD2 4.38Å; I958-Y961 HydrophobicContact CB-CE1 4.4Å; I958-Y961 HydrophobicContact CB-CE2 3.71Å; I958-Y961 HydrophobicContact CD1-CE1 3.85Å; I958-Y961 HydrophobicContact CG2-CD1 4.12Å; I958-Y961 HydrophobicContact CG2-CD2 3.68Å; I958-Y961 HydrophobicContact CG2-CE1 4Å; I958-Y961 HydrophobicContact CG2-CE2 3.95Å; I958-Y961 VanDerWaalsContact CG2-CE2 3.48Å; I958-Y961 HydrophobicContact CG2-CG 4Å; I958-Y961 WeakPolarHBondContact O-CE2 3.34Å; I958-V985 VanDerWaalsContact O-CG2 3.29Å; I958-V985 WeakPolarHBondContact O-CG2 3.31Å
959A82.1Confident86.2Confident49.5 Ų49.553.1 Ų53.141%0.40926%0.258SS..SBendtrans-88-19.3-178.900000116.5R955 R984 V985R955-A959 HydrophobicContact CG-CB 3.82Å; R955-A959 PolarHBondContact O-N 2.89Å; A959-R984 CarbonylContact O-C 3.59Å; A959-R984 VanDerWaalsContact O-CA 3.28Å; A959-R984 WeakPolarHBondContact O-CA 3.21Å; A959-V985 PolarHBondContact O-N 3.17Å
960E86.1Confident86.1Confident80.25 Ų80.2555.1 Ų55.138%0.37528%0.276SS..EExtended strand (participates in β ladder)trans-147.1140-178.3-163.7179.196.300114.1I958 Q962 T982 V983 R984I958-E960 WeakPolarHBondContact CG2-O 3.39Å; I958-E960 PolarHBondContact O-N 3.09Å; E960-Q962 PolarHBondContact OE1-NE2 3.09Å; E960-Q962 VanDerWaalsContact OE1-NE2 3.16Å; E960-T982 HydrophobicContact CG-CG2 3.53Å; E960-T982 VanDerWaalsContact CG-CG2 3.45Å; E960-V983 CarbonylContact C-O 3.51Å; E960-V983 VanDerWaalsContact CA-O 3.29Å; E960-V983 WeakPolarHBondContact CA-O 3.39Å; E960-R984 HydrophobicContact CB-CG 4.48Å; E960-R984 HydrophobicContact CG-CG 3.98Å; E960-R984 IonicContact OE2-CZ 3.1Å; E960-R984 VanDerWaalsContact OE2-CZ 3.27Å; E960-R984 IonicContact OE2-NE 3.24Å; E960-R984 PolarHBondContact OE2-NE 3.09Å; E960-R984 IonicContact OE2-NH2 3.35Å; E960-R984 PolarHBondContact OE2-NH2 3Å
961Y84.7Confident85.9Confident25.25 Ų25.2552.2 Ų52.210%0.09926%0.258CS..EExtended strand (participates in β ladder)trans-127144.2177.8-67.9-102.2000111.6M933 D937 F938 L953 I958 T982 V983 V985M933-Y961 HydrophobicContact CE-CD1 4.2Å; D937-Y961 HydrophobicContact CB-CE1 4.2Å; D937-Y961 VanDerWaalsContact OD2-CE1 3.26Å; D937-Y961 WeakPolarHBondContact OD2-CE1 3.34Å; D937-Y961 PolarHBondContact OD2-OH 2.96Å; F938-Y961 HydrophobicContact CD2-CD1 4.27Å; F938-Y961 HydrophobicContact CD2-CE1 4.36Å; F938-Y961 HydrophobicContact CD2-CG 4.45Å; F938-Y961 AromaticContact CE2-CD1 3.68Å; F938-Y961 HydrophobicContact CE2-CD1 3.68Å; F938-Y961 AromaticContact CE2-CD2 3.83Å; F938-Y961 HydrophobicContact CE2-CD2 3.83Å; F938-Y961 AromaticContact CE2-CE1 3.83Å; F938-Y961 HydrophobicContact CE2-CE1 3.94Å; F938-Y961 AromaticContact CE2-CE2 3.93Å; F938-Y961 HydrophobicContact CE2-CE2 4.04Å; F938-Y961 AromaticContact CE2-CG 3.71Å; F938-Y961 HydrophobicContact CE2-CG 3.71Å; F938-Y961 AromaticContact CE2-CZ 3.9Å; F938-Y961 HydrophobicContact CZ-CD1 4.5Å; F938-Y961 HydrophobicContact CZ-CD2 4.15Å; F938-Y961 HydrophobicContact CZ-CE2 4.35Å; F938-Y961 HydrophobicContact CZ-CG 4.34Å; L953-Y961 HydrophobicContact CD2-CE2 4.19Å; L953-Y961 WeakPolarHBondContact CD2-OH 3.43Å; I958-Y961 HydrophobicContact CB-CD2 4.38Å; I958-Y961 HydrophobicContact CB-CE1 4.4Å; I958-Y961 HydrophobicContact CB-CE2 3.71Å; I958-Y961 HydrophobicContact CD1-CE1 3.85Å; I958-Y961 HydrophobicContact CG2-CD1 4.12Å; I958-Y961 HydrophobicContact CG2-CD2 3.68Å; I958-Y961 HydrophobicContact CG2-CE1 4Å; I958-Y961 HydrophobicContact CG2-CE2 3.95Å; I958-Y961 VanDerWaalsContact CG2-CE2 3.48Å; I958-Y961 HydrophobicContact CG2-CG 4Å; I958-Y961 WeakPolarHBondContact O-CE2 3.34Å; Y961-T982 CarbonylContact O-C 3.53Å; Y961-T982 VanDerWaalsContact O-CA 3.26Å; Y961-T982 WeakPolarHBondContact O-CA 3.27Å; Y961-T982 VanDerWaalsContact O-CG2 3.27Å; Y961-T982 WeakPolarHBondContact O-CG2 3.4Å; Y961-V983 PolarHBondContact N-O 3.01Å; Y961-V983 PolarHBondContact O-N 3.08Å; Y961-V985 HydrophobicContact CD2-CG2 4.32Å; Y961-V985 HydrophobicContact CE2-CG2 4.25Å
962Q84.2Confident85.7Confident122.75 Ų122.7556.9 Ų56.957%0.57428%0.284SS*.EExtended strand (participates in β ladder)trans-124.4112.1179.9-64.6-179.6400113M933 E960 R964 L981 T982M933-Q962 WeakPolarHBondContact CE-O 3.3Å; M933-Q962 HydrophobicContact SD-CB 4.38Å; M933-Q962 PolarHBondContact SD-N 3.14Å; M933-Q962 VanDerWaalsContact SD-N 3.4Å; M933-Q962 VanDerWaalsContact SD-O 3.4Å; E960-Q962 PolarHBondContact OE1-NE2 3.09Å; E960-Q962 VanDerWaalsContact OE1-NE2 3.16Å; Q962-R964 PolarHBondContact O-N 2.83Å; Q962-L981 CarbonylContact C-O 3.52Å; Q962-T982 HydrophobicContact CG-CG2 4.26Å
963L85.4Confident85.5Confident19.75 Ų19.7556 Ų5610%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-109.8135.3-170.2-52.8173000111.7M929 M933 F938 V947 V965 T980 L981 V983M929-L963 HydrophobicContact CE-CB 4.44Å; M929-L963 HydrophobicContact CE-CD1 4.01Å; M929-L963 HydrophobicContact SD-CB 4.2Å; M929-L963 HydrophobicContact SD-CD1 4.28Å; M929-L963 HydrophobicContact SD-CD2 3.66Å; M929-L963 HydrophobicContact SD-CG 4.18Å; M933-L963 HydrophobicContact CE-CB 4.41Å; M933-L963 HydrophobicContact CE-CD2 3.82Å; M933-L963 HydrophobicContact CE-CG 3.92Å; M933-L963 HydrophobicContact SD-CD2 3.48Å; M933-L963 WeakPolarHBondContact SD-CD2 3.09Å; F938-L963 HydrophobicContact CB-CD1 4.07Å; F938-L963 HydrophobicContact CB-CD2 4.19Å; F938-L963 HydrophobicContact CD1-CD1 4.32Å; F938-L963 HydrophobicContact CD2-CD1 4.2Å; F938-L963 HydrophobicContact CD2-CD2 3.99Å; F938-L963 HydrophobicContact CE2-CD2 4.46Å; F938-L963 HydrophobicContact CG-CD1 3.96Å; F938-L963 HydrophobicContact CG-CD2 4.35Å; V947-L963 HydrophobicContact CG1-CD1 4.22Å; L963-V965 PolarHBondContact O-N 3Å; L963-T980 CarbonylContact O-C 3.52Å; L963-T980 WeakPolarHBondContact O-CA 3.35Å; L963-T980 WeakPolarHBondContact O-CG2 3.22Å; L963-L981 WeakPolarHBondContact CA-O 3.37Å; L963-L981 HydrophobicContact CB-CB 4.32Å; L963-L981 WeakPolarHBondContact CB-O 3.36Å; L963-L981 HydrophobicContact CD1-CD2 4.17Å; L963-L981 HydrophobicContact CD1-CG 4.32Å; L963-L981 PolarHBondContact N-O 3.03Å; L963-L981 PolarHBondContact O-N 3.01Å; L963-V983 HydrophobicContact CD1-CG2 3.92Å; L963-V983 HydrophobicContact CG-CG2 4.4Å
964R86.9Confident85.4Confident140 Ų14060 Ų6053%0.52831%0.314SS..EExtended strand (participates in β ladder)trans-107128.2177-77.6-173174.7-150.9-2113.3M929 Q930 Q962 T978 T980M929-R964 CarbonylContact C-O 3.47Å; M929-R964 VanDerWaalsContact CA-O 3.27Å; M929-R964 WeakPolarHBondContact CA-O 3.19Å; M929-R964 VanDerWaalsContact CG-O 3.3Å; M929-R964 WeakPolarHBondContact CG-O 3.2Å; Q930-R964 HydrophobicContact CB-CB 3.96Å; Q930-R964 PolarHBondContact N-O 3.01Å; Q930-R964 VanDerWaalsContact OE1-CD 3.29Å; Q962-R964 PolarHBondContact O-N 2.83Å; R964-T978 HydrophobicContact CB-CG2 4.41Å; R964-T980 HydrophobicContact CG-CG2 4.14Å
965V89Confident85.5Confident0.5 Ų0.560.2 Ų60.20%0.00331%0.313CS..EExtended strand (participates in β ladder)trans-123.8143.4-174.7-1680000111.8F890 L893 V912 R928 M929 I940 L963 T978 S979 L981F890-V965 HydrophobicContact CE1-CG1 4.1Å; F890-V965 HydrophobicContact CZ-CB 4.33Å; F890-V965 HydrophobicContact CZ-CG1 4.27Å; F890-V965 WeakPolarHBondContact CZ-O 3.36Å; L893-V965 HydrophobicContact CD1-CB 3.94Å; L893-V965 HydrophobicContact CD1-CG1 4.36Å; L893-V965 HydrophobicContact CD1-CG2 4.14Å; V912-V965 HydrophobicContact CB-CG1 4.3Å; V912-V965 HydrophobicContact CG1-CG1 4.05Å; V912-V965 HydrophobicContact CG2-CG1 4.26Å; V912-V965 HydrophobicContact CG2-CG2 4.38Å; R928-V965 CarbonylContact O-C 3.52Å; R928-V965 VanDerWaalsContact O-CA 3.27Å; R928-V965 WeakPolarHBondContact O-CA 3.35Å; R928-V965 VanDerWaalsContact O-CG1 3.23Å; R928-V965 WeakPolarHBondContact O-CG1 3.24Å; M929-V965 HydrophobicContact CG-CG2 4.24Å; I940-V965 HydrophobicContact CD1-CG1 3.7Å; I940-V965 HydrophobicContact CD1-CG2 4.22Å; L963-V965 PolarHBondContact O-N 3Å; V965-T978 CarbonylContact O-C 3.4Å; V965-T978 WeakPolarHBondContact O-CA 3.33Å; V965-T978 WeakPolarHBondContact O-CG2 3.47Å; V965-S979 PolarHBondContact N-O 3.1Å; V965-S979 PolarHBondContact O-N 2.86Å; V965-S979 VanDerWaalsContact O-O 3.14Å; V965-L981 HydrophobicContact CG2-CB 4.36Å
966V90.4Very high85.6Confident12 Ų1261.3 Ų61.37%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-124.5137.1-177.5-173.50000110.2F890 Y927 R928 Q930 S977 T978F890-V966 VanDerWaalsContact CZ-C 3.47Å; Y927-V966 CarbonylContact C-O 3.53Å; Y927-V966 WeakPolarHBondContact CA-O 3.3Å; R928-V966 HydrophobicContact CG-CB 3.85Å; R928-V966 HydrophobicContact CG-CG1 4.35Å; R928-V966 HydrophobicContact CG-CG2 4.37Å; R928-V966 PolarHBondContact N-O 3Å; R928-V966 PolarHBondContact O-N 3.09Å; Q930-V966 HydrophobicContact CB-CG2 4.05Å; V966-S977 CarbonylContact C-O 3.56Å; V966-S977 WeakPolarHBondContact CA-O 3.27Å; V966-S977 VanDerWaalsContact CG1-O 3.27Å; V966-S977 WeakPolarHBondContact CG1-O 3.34Å; V966-T978 HydrophobicContact CG2-CG2 4.09Å
967A90.8Very high85.7Confident0.25 Ų0.2558.4 Ų58.40%0.00232%0.317CS..EExtended strand (participates in β ladder)trans-119149.8173.800000112.1P888 F890 A914 V925 S926 Y927 S976 S977P888-A967 HydrophobicContact CB-CB 3.94Å; F890-A967 HydrophobicContact CD1-CB 4.47Å; F890-A967 HydrophobicContact CD2-CB 4.47Å; F890-A967 HydrophobicContact CE1-CB 3.93Å; F890-A967 HydrophobicContact CE2-CB 3.78Å; F890-A967 HydrophobicContact CZ-CB 3.44Å; F890-A967 VanDerWaalsContact CZ-CB 3.5Å; A914-A967 HydrophobicContact CB-CB 3.91Å; V925-A967 HydrophobicContact CG1-CB 3.91Å; S926-A967 CarbonylContact O-C 3.49Å; S926-A967 WeakPolarHBondContact O-CA 3.3Å; S926-A967 VanDerWaalsContact O-CB 3.3Å; S926-A967 WeakPolarHBondContact O-CB 3.28Å; Y927-A967 HydrophobicContact CD1-CB 4.11Å; Y927-A967 HydrophobicContact CE1-CB 4.09Å; A967-S976 CarbonylContact O-C 3.47Å; A967-S976 WeakPolarHBondContact O-CA 3.25Å; A967-S976 VanDerWaalsContact O-CB 3.32Å; A967-S976 WeakPolarHBondContact O-CB 3.31Å; A967-S977 PolarHBondContact N-O 2.99Å; A967-S977 VanDerWaalsContact N-O 3.12Å; A967-S977 PolarHBondContact O-N 3Å
968S91Very high86.1Confident22 Ų2254.4 Ų54.415%0.15431%0.311CS..EExtended strand (participates in β ladder)trans-154.1143.4180-29.70000112.8V925 S926 R928 K975 S976V925-S968 CarbonylContact C-O 3.39Å; V925-S968 WeakPolarHBondContact CA-O 3.19Å; V925-S968 WeakPolarHBondContact CG1-O 3.16Å; S926-S968 PolarHBondContact N-O 2.94Å; S926-S968 PolarHBondContact O-N 3.11Å; S926-S968 PolarHBondContact OG-O 2.97Å; S926-S968 PolarHBondContact OG-OG 2.56Å; R928-S968 PolarHBondContact NH1-OG 3.35Å; R928-S968 PolarHBondContact NH2-OG 3.22Å; R928-S968 VanDerWaalsContact NH2-OG 3.12Å; S968-K975 CarbonylContact C-O 3.45Å; S968-K975 VanDerWaalsContact CA-O 3.3Å; S968-K975 WeakPolarHBondContact CA-O 3.26Å; S968-K975 VanDerWaalsContact CB-O 3.29Å; S968-K975 WeakPolarHBondContact CB-O 3.26Å; S968-S976 VanDerWaalsContact OG-CB 3.28Å; S968-S976 WeakPolarHBondContact OG-CB 3.24Å
969D89.7Confident86.3Confident10 Ų1053 Ų535%0.05331%0.305CS..  trans-78.1-175.4177.36471.3000115.1N884 P888 N922 L924 V925 G971 T974 K975N884-D969 PolarHBondContact ND2-OD1 2.74Å; N884-D969 PolarHBondContact ND2-OD2 3.32Å; N884-D969 PolarHBondContact OD1-OD1 3.04Å; P888-D969 VanDerWaalsContact CD-OD2 3.29Å; P888-D969 WeakPolarHBondContact CD-OD2 3.39Å; P888-D969 HydrophobicContact CG-CB 3.9Å; P888-D969 VanDerWaalsContact CG-CB 3.46Å; P888-D969 VanDerWaalsContact CG-OD2 3.23Å; P888-D969 WeakPolarHBondContact CG-OD2 3.37Å; N922-D969 WeakPolarHBondContact O-CB 3.21Å; L924-D969 CarbonylContact O-C 3.57Å; L924-D969 VanDerWaalsContact O-C 3.25Å; L924-D969 WeakPolarHBondContact O-CA 3.32Å; L924-D969 WeakPolarHBondContact O-CB 3.34Å; V925-D969 HydrophobicContact CG2-CB 4.47Å; D969-G971 WeakPolarHBondContact OD1-CA 3.47Å; D969-G971 PolarHBondContact OD1-N 2.93Å; D969-T974 WeakPolarHBondContact O-CB 3.46Å; D969-T974 WeakPolarHBondContact O-CG2 3.15Å; D969-T974 VanDerWaalsContact OD1-CA 3.25Å; D969-T974 WeakPolarHBondContact OD1-CA 3.24Å; D969-T974 WeakPolarHBondContact OD1-CB 3.42Å; D969-T974 VanDerWaalsContact OD1-CG2 3.24Å; D969-T974 WeakPolarHBondContact OD1-CG2 3.32Å; D969-K975 VanDerWaalsContact CG-N 3.29Å; D969-K975 PolarHBondContact N-O 2.95Å; D969-K975 VanDerWaalsContact N-O 3.11Å; D969-K975 PolarHBondContact OD1-N 3.11Å; D969-K975 VanDerWaalsContact OD2-CA 3.24Å; D969-K975 WeakPolarHBondContact OD2-CA 3.33Å; D969-K975 VanDerWaalsContact OD2-CB 3.28Å; D969-K975 WeakPolarHBondContact OD2-CB 3.41Å; D969-K975 PolarHBondContact OD2-N 3.12Å
970A85.6Confident86.6Confident46.25 Ų46.2553 Ų5338%0.38230%0.3SS..SBendtrans-118.217.517400000113.6L921 L924L921-A970 HydrophobicContact CB-CB 4.41Å; L921-A970 HydrophobicContact CD2-CB 4.35Å; L921-A970 CarbonylContact O-C 3.49Å; L921-A970 VanDerWaalsContact O-C 3.29Å; L921-A970 WeakPolarHBondContact O-CA 3.38Å; L921-A970 WeakPolarHBondContact O-CB 3.25Å; L921-A970 PolarHBondContact O-N 2.96Å; L924-A970 HydrophobicContact CB-CB 4.21Å; L924-A970 HydrophobicContact CD2-CB 4.23Å; L924-A970 HydrophobicContact CG-CB 4.37Å; L924-A970 PolarHBondContact O-N 3.01Å
971G81.5Confident86.7Confident4.5 Ų4.549.2 Ų49.25%0.04628%0.282CS..SBendtrans-69.7178.9176.400000113.5N884 L921 N922 D969 P973 T974N884-G971 VanDerWaalsContact ND2-CA 3.25Å; N884-G971 WeakPolarHBondContact ND2-CA 3.3Å; L921-G971 PolarHBondContact O-N 3.04Å; N922-G971 VanDerWaalsContact OD1-CA 3.3Å; N922-G971 WeakPolarHBondContact OD1-CA 3.32Å; D969-G971 WeakPolarHBondContact OD1-CA 3.47Å; D969-G971 PolarHBondContact OD1-N 2.93Å; G971-P973 CarbonylContact C-O 3.52Å; G971-P973 CarbonylContact O-C 3.55Å; G971-P973 VanDerWaalsContact O-C 3.3Å; G971-T974 WeakPolarHBondContact O-CG2 3.4Å; G971-T974 PolarHBondContact O-N 3.25Å
972T77.8Confident86.8Confident131.5 Ų131.549.1 Ų49.181%0.80728%0.284SS*.SBendtrans-135.7103.617634.30000111.4
973P79.9Confident86.9Confident110.25 Ų110.2543.2 Ų43.272%0.71626%0.257SS*.SBendcis-73.1155.30.332.6-36.6000113.4N884 G971N884-P973 PolarHBondContact ND2-O 2.85Å; G971-P973 CarbonylContact C-O 3.52Å; G971-P973 CarbonylContact O-C 3.55Å; G971-P973 VanDerWaalsContact O-C 3.3Å
974T85.4Confident86.9Confident91.75 Ų91.7547.5 Ų47.556%0.56327%0.272SS*.  trans-81.1146.9177.856.40000113.2D969 G971D969-T974 WeakPolarHBondContact O-CB 3.46Å; D969-T974 WeakPolarHBondContact O-CG2 3.15Å; D969-T974 VanDerWaalsContact OD1-CA 3.25Å; D969-T974 WeakPolarHBondContact OD1-CA 3.24Å; D969-T974 WeakPolarHBondContact OD1-CB 3.42Å; D969-T974 VanDerWaalsContact OD1-CG2 3.24Å; D969-T974 WeakPolarHBondContact OD1-CG2 3.32Å; G971-T974 WeakPolarHBondContact O-CG2 3.4Å; G971-T974 PolarHBondContact O-N 3.25Å
975K86.6Confident87Confident53.75 Ų53.7541.3 Ų41.323%0.23425%0.249CC..  trans-118.7173.2177.4-67146.8136.6-135.10111.2N884 D885 N886 D887 S968 D969N884-K975 VanDerWaalsContact C-NZ 3.32Å; N884-K975 VanDerWaalsContact ND2-CD 3.27Å; N884-K975 WeakPolarHBondContact ND2-CD 3.24Å; N884-K975 WeakPolarHBondContact O-CD 3.48Å; N884-K975 WeakPolarHBondContact O-CE 3.38Å; N884-K975 PolarHBondContact O-NZ 3.48Å; D885-K975 VanDerWaalsContact C-NZ 3.31Å; D885-K975 WeakPolarHBondContact O-CE 3.44Å; D885-K975 PolarHBondContact O-NZ 3.16Å; N886-K975 WeakPolarHBondContact O-CD 3.34Å; N886-K975 WeakPolarHBondContact O-CE 3.4Å; N886-K975 PolarHBondContact O-NZ 3.02Å; D887-K975 HydrophobicContact CB-CB 4.35Å; D887-K975 HydrophobicContact CB-CD 4.4Å; D887-K975 WeakPolarHBondContact OD1-CB 3.43Å; D887-K975 WeakPolarHBondContact OD1-CD 3.1Å; D887-K975 WeakPolarHBondContact OD1-CE 3.34Å; D887-K975 WeakPolarHBondContact OD1-CG 3.21Å; D887-K975 IonicContact OD1-NZ 2.67Å; D887-K975 PolarHBondContact OD1-NZ 3.09Å; D887-K975 WeakPolarHBondContact OD2-CB 3.34Å; S968-K975 CarbonylContact C-O 3.45Å; S968-K975 VanDerWaalsContact CA-O 3.3Å; S968-K975 WeakPolarHBondContact CA-O 3.26Å; S968-K975 VanDerWaalsContact CB-O 3.29Å; S968-K975 WeakPolarHBondContact CB-O 3.26Å; D969-K975 VanDerWaalsContact CG-N 3.29Å; D969-K975 PolarHBondContact N-O 2.95Å; D969-K975 VanDerWaalsContact N-O 3.11Å; D969-K975 PolarHBondContact OD1-N 3.11Å; D969-K975 VanDerWaalsContact OD2-CA 3.24Å; D969-K975 WeakPolarHBondContact OD2-CA 3.33Å; D969-K975 VanDerWaalsContact OD2-CB 3.28Å; D969-K975 WeakPolarHBondContact OD2-CB 3.41Å; D969-K975 PolarHBondContact OD2-N 3.12Å
976S90Very high86.7Confident66 Ų6644.2 Ų44.246%0.46226%0.264SS..  trans-168.8146.3-172.963.40000116.1A967 S968A967-S976 CarbonylContact O-C 3.47Å; A967-S976 WeakPolarHBondContact O-CA 3.25Å; A967-S976 VanDerWaalsContact O-CB 3.32Å; A967-S976 WeakPolarHBondContact O-CB 3.31Å; S968-S976 VanDerWaalsContact OG-CB 3.28Å; S968-S976 WeakPolarHBondContact OG-CB 3.24Å
977S88.3Confident86.5Confident30.25 Ų30.2545.4 Ų45.421%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-123170.617367.70000114.1P888 F890 V966 A967P888-S977 VanDerWaalsContact O-CB 3.26Å; P888-S977 WeakPolarHBondContact O-CB 3.32Å; P888-S977 PolarHBondContact O-OG 2.94Å; F890-S977 VanDerWaalsContact CD2-OG 3.3Å; F890-S977 WeakPolarHBondContact CD2-OG 3.2Å; F890-S977 VanDerWaalsContact CE2-OG 3.29Å; F890-S977 WeakPolarHBondContact CE2-OG 3.4Å; V966-S977 CarbonylContact C-O 3.56Å; V966-S977 WeakPolarHBondContact CA-O 3.27Å; V966-S977 VanDerWaalsContact CG1-O 3.27Å; V966-S977 WeakPolarHBondContact CG1-O 3.34Å; A967-S977 PolarHBondContact N-O 2.99Å; A967-S977 VanDerWaalsContact N-O 3.12Å; A967-S977 PolarHBondContact O-N 3Å
978T89.4Confident86.2Confident78.25 Ų78.2547.3 Ų47.348%0.4828%0.281SS..EExtended strand (participates in β ladder)trans-143.6138.7-178.7-62.20000112.1F890 R964 V965 V966F890-T978 VanDerWaalsContact CE2-CA 3.42Å; R964-T978 HydrophobicContact CB-CG2 4.41Å; V965-T978 CarbonylContact O-C 3.4Å; V965-T978 WeakPolarHBondContact O-CA 3.33Å; V965-T978 WeakPolarHBondContact O-CG2 3.47Å; V966-T978 HydrophobicContact CG2-CG2 4.09Å
979S88.6Confident85.9Confident19.25 Ų19.2546.6 Ų46.614%0.13528%0.276CS..EExtended strand (participates in β ladder)trans-148.6-178.5178.5-161.60000113.7L893 P894 V965L893-S979 VanDerWaalsContact CB-CB 3.46Å; L893-S979 VanDerWaalsContact CB-OG 3.28Å; L893-S979 WeakPolarHBondContact CB-OG 3.18Å; L893-S979 PolarHBondContact O-OG 2.91Å; P894-S979 WeakPolarHBondContact CD-OG 3.48Å; P894-S979 VanDerWaalsContact N-OG 3.07Å; V965-S979 PolarHBondContact N-O 3.1Å; V965-S979 PolarHBondContact O-N 2.86Å; V965-S979 VanDerWaalsContact O-O 3.14Å
980T87.3Confident85.6Confident49.25 Ų49.2550.2 Ų50.230%0.30230%0.296SS..EExtended strand (participates in β ladder)trans-127.1132.6-169.4-3.80000113.3P894 F895 L963 R964P894-T980 VanDerWaalsContact CA-O 3.27Å; P894-T980 WeakPolarHBondContact CA-O 3.29Å; P894-T980 VanDerWaalsContact CB-O 3.26Å; P894-T980 WeakPolarHBondContact CB-O 3.44Å; F895-T980 PolarHBondContact N-O 3.04Å; L963-T980 CarbonylContact O-C 3.52Å; L963-T980 WeakPolarHBondContact O-CA 3.35Å; L963-T980 WeakPolarHBondContact O-CG2 3.22Å; R964-T980 HydrophobicContact CG-CG2 4.14Å
981L88Confident85.6Confident0.25 Ų0.2551.8 Ų51.80%0.00130%0.295CS..EExtended strand (participates in β ladder)trans-109.7124.8171.5172.763.9000109.7L893 F895 A897 Y910 V947 Q962 L963 V965 V983L893-L981 HydrophobicContact CD2-CB 3.87Å; L893-L981 HydrophobicContact CD2-CD1 4.21Å; L893-L981 HydrophobicContact CD2-CG 4.44Å; F895-L981 HydrophobicContact CB-CD1 4.23Å; F895-L981 HydrophobicContact CD1-CD1 4.11Å; F895-L981 HydrophobicContact CG-CD1 4.5Å; F895-L981 CarbonylContact O-C 3.48Å; A897-L981 HydrophobicContact CB-CD1 4.19Å; Y910-L981 HydrophobicContact CD1-CD1 3.75Å; Y910-L981 VanDerWaalsContact CD1-CD1 3.45Å; Y910-L981 HydrophobicContact CD1-CD2 4.1Å; Y910-L981 HydrophobicContact CD1-CG 4.28Å; Y910-L981 HydrophobicContact CE1-CD1 4.23Å; Y910-L981 HydrophobicContact CG-CD1 4.01Å; Y910-L981 HydrophobicContact CG-CD2 4.34Å; V947-L981 HydrophobicContact CB-CD2 4.46Å; V947-L981 HydrophobicContact CG1-CD2 4.4Å; V947-L981 HydrophobicContact CG2-CD2 4.02Å; Q962-L981 CarbonylContact C-O 3.52Å; L963-L981 WeakPolarHBondContact CA-O 3.37Å; L963-L981 HydrophobicContact CB-CB 4.32Å; L963-L981 WeakPolarHBondContact CB-O 3.36Å; L963-L981 HydrophobicContact CD1-CD2 4.17Å; L963-L981 HydrophobicContact CD1-CG 4.32Å; L963-L981 PolarHBondContact N-O 3.03Å; L963-L981 PolarHBondContact O-N 3.01Å; V965-L981 HydrophobicContact CG2-CB 4.36Å; L981-V983 HydrophobicContact CD2-CG2 4.31Å; L981-V983 HydrophobicContact CG-CG2 4.11Å
982T87Confident85.7Confident21.75 Ų21.7554.1 Ų54.113%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-98141.9172.9-53.20000108.9F895 V896 A897 E960 Y961 Q962 R984F895-T982 PolarHBondContact O-N 3.18Å; V896-T982 CarbonylContact C-O 3.49Å; V896-T982 WeakPolarHBondContact CA-O 3.37Å; V896-T982 HydrophobicContact CG1-CG2 4.18Å; V896-T982 HydrophobicContact CG2-CG2 4.44Å; A897-T982 PolarHBondContact N-O 3.12Å; E960-T982 HydrophobicContact CG-CG2 3.53Å; E960-T982 VanDerWaalsContact CG-CG2 3.45Å; Y961-T982 CarbonylContact O-C 3.53Å; Y961-T982 VanDerWaalsContact O-CA 3.26Å; Y961-T982 WeakPolarHBondContact O-CA 3.27Å; Y961-T982 VanDerWaalsContact O-CG2 3.27Å; Y961-T982 WeakPolarHBondContact O-CG2 3.4Å; Q962-T982 HydrophobicContact CG-CG2 4.26Å; T982-R984 HydrophobicContact CG2-CG 4.47Å
983V87Confident86.3Confident0 Ų048 Ų480%027%0.271CS..EExtended strand (participates in β ladder)trans-123.6122.1173.5-173.30000109.2A897 I899 V909 F938 E960 Y961 L963 L981A897-V983 HydrophobicContact CB-CG1 4.41Å; A897-V983 HydrophobicContact CB-CG2 4.44Å; A897-V983 CarbonylContact O-C 3.57Å; A897-V983 VanDerWaalsContact O-CA 3.25Å; A897-V983 WeakPolarHBondContact O-CA 3.29Å; I899-V983 HydrophobicContact CG2-CG1 3.72Å; V909-V983 HydrophobicContact CG1-CB 4.43Å; V909-V983 HydrophobicContact CG1-CG1 3.96Å; V909-V983 HydrophobicContact CG1-CG2 4.02Å; F938-V983 HydrophobicContact CE1-CB 4.45Å; F938-V983 HydrophobicContact CE1-CG1 4.15Å; F938-V983 HydrophobicContact CE1-CG2 4.15Å; F938-V983 HydrophobicContact CE2-CG2 4.46Å; F938-V983 HydrophobicContact CZ-CB 4.2Å; F938-V983 HydrophobicContact CZ-CG1 3.98Å; F938-V983 HydrophobicContact CZ-CG2 4.01Å; E960-V983 CarbonylContact C-O 3.51Å; E960-V983 VanDerWaalsContact CA-O 3.29Å; E960-V983 WeakPolarHBondContact CA-O 3.39Å; Y961-V983 PolarHBondContact N-O 3.01Å; Y961-V983 PolarHBondContact O-N 3.08Å; L963-V983 HydrophobicContact CD1-CG2 3.92Å; L963-V983 HydrophobicContact CG-CG2 4.4Å; L981-V983 HydrophobicContact CD2-CG2 4.31Å; L981-V983 HydrophobicContact CG-CG2 4.11Å
984R85.6Confident86.7Confident110.75 Ų110.7545.9 Ų45.942%0.41826%0.256SS..EExtended strand (participates in β ladder)trans-103.2138.5175.7-73.9-175-170.4-161.6-4.2111.5V896 A897 E898 I899 A959 E960 T982V896-R984 HydrophobicContact CG1-CB 4.38Å; V896-R984 HydrophobicContact CG1-CG 3.98Å; A897-R984 PolarHBondContact O-N 2.98Å; E898-R984 CarbonylContact C-O 3.49Å; E898-R984 WeakPolarHBondContact CA-O 3.2Å; E898-R984 HydrophobicContact CG-CB 4.34Å; E898-R984 IonicContact OE1-CZ 3.43Å; E898-R984 VanDerWaalsContact OE1-CZ 3.3Å; E898-R984 IonicContact OE1-NE 3.71Å; E898-R984 PolarHBondContact OE1-NE 2.96Å; E898-R984 IonicContact OE1-NH2 3.39Å; E898-R984 PolarHBondContact OE1-NH2 2.9Å; I899-R984 VanDerWaalsContact CG2-O 3.27Å; I899-R984 WeakPolarHBondContact CG2-O 3.39Å; I899-R984 PolarHBondContact N-O 2.98Å; A959-R984 CarbonylContact O-C 3.59Å; A959-R984 VanDerWaalsContact O-CA 3.28Å; A959-R984 WeakPolarHBondContact O-CA 3.21Å; E960-R984 HydrophobicContact CB-CG 4.48Å; E960-R984 HydrophobicContact CG-CG 3.98Å; E960-R984 IonicContact OE2-CZ 3.1Å; E960-R984 VanDerWaalsContact OE2-CZ 3.27Å; E960-R984 IonicContact OE2-NE 3.24Å; E960-R984 PolarHBondContact OE2-NE 3.09Å; E960-R984 IonicContact OE2-NH2 3.35Å; E960-R984 PolarHBondContact OE2-NH2 3Å; T982-R984 HydrophobicContact CG2-CG 4.47Å
985V87.3Confident86.9Confident8.25 Ų8.2542.2 Ų42.25%0.0523%0.232CC..EExtended strand (participates in β ladder)trans-92.1126.5172.5-168.10000108.7I899 E901 L953 R955 I958 A959 Y961I899-V985 CarbonylContact O-C 3.48Å; I899-V985 VanDerWaalsContact O-CA 3.28Å; I899-V985 WeakPolarHBondContact O-CA 3.45Å; E901-V985 HydrophobicContact CB-CG1 3.75Å; L953-V985 HydrophobicContact CB-CG1 4.3Å; L953-V985 HydrophobicContact CB-CG2 4.28Å; L953-V985 HydrophobicContact CD1-CG2 4.36Å; R955-V985 HydrophobicContact CB-CB 4.13Å; R955-V985 HydrophobicContact CB-CG1 3.9Å; R955-V985 HydrophobicContact CG-CB 4.27Å; R955-V985 HydrophobicContact CG-CG1 4.33Å; I958-V985 VanDerWaalsContact O-CG2 3.29Å; I958-V985 WeakPolarHBondContact O-CG2 3.31Å; A959-V985 PolarHBondContact O-N 3.17Å; Y961-V985 HydrophobicContact CD2-CG2 4.32Å; Y961-V985 HydrophobicContact CE2-CG2 4.25Å
986L83.9Confident86.7Confident62.5 Ų62.546.3 Ų46.333%0.32725%0.25SS..EExtended strand (participates in β ladder)trans-96.6144.6-177.3-65.3-179.2000111.7E898 I899 L900 E901 V988E898-L986 HydrophobicContact CB-CD1 3.84Å; E898-L986 HydrophobicContact CB-CD2 4.25Å; E898-L986 HydrophobicContact CB-CG 3.99Å; I899-L986 PolarHBondContact O-N 2.87Å; L900-L986 HydrophobicContact CD2-CB 3.97Å; L900-L986 HydrophobicContact CG-CB 4.39Å; E901-L986 PolarHBondContact N-O 3.08Å; L986-V988 PolarHBondContact O-N 2.95Å
987D85.9Confident86.7Confident36.25 Ų36.2546.7 Ų46.719%0.19425%0.251CS..PPolyproline II helixtrans-67.8137.9-175.3-156.577000113.7E901 R955 V1024 N1027E901-D987 VanDerWaalsContact OE1-CA 3.27Å; E901-D987 WeakPolarHBondContact OE1-CA 3.44Å; R955-D987 WeakPolarHBondContact CD-OD1 3.03Å; R955-D987 IonicContact CZ-OD1 3.33Å; R955-D987 VanDerWaalsContact NE-CB 3.31Å; R955-D987 VanDerWaalsContact NE-CG 3.32Å; R955-D987 IonicContact NE-OD1 2.74Å; R955-D987 PolarHBondContact NE-OD1 3.28Å; R955-D987 IonicContact NH1-OD1 3.69Å; R955-D987 PolarHBondContact NH1-OD1 3.07Å; R955-D987 IonicContact NH2-OD1 3.45Å; R955-D987 PolarHBondContact NH2-OD1 3.02Å; R955-D987 IonicContact NH2-OD2 2.79Å; D987-V1024 HydrophobicContact CB-CB 4.37Å; D987-V1024 VanDerWaalsContact CG-N 3.32Å; D987-V1024 WeakPolarHBondContact OD1-CB 3.25Å; D987-V1024 PolarHBondContact OD1-N 3.1Å; D987-V1024 PolarHBondContact OD2-N 2.99Å; D987-V1024 VanDerWaalsContact OD2-N 3.12Å; D987-V1024 VanDerWaalsContact OD2-O 3.08Å; D987-N1027 VanDerWaalsContact OD2-CB 3.3Å; D987-N1027 WeakPolarHBondContact OD2-CB 3.33Å; D987-N1027 PolarHBondContact OD2-ND2 3.12Å
988V84.2Confident86.5Confident39.5 Ų39.547.7 Ų47.724%0.23926%0.261CS..  trans-128126.6169.8178.70000109.8L900 E901 L986 D990L900-V988 HydrophobicContact CB-CG2 4.09Å; L900-V988 HydrophobicContact CD2-CG2 4.03Å; L900-V988 HydrophobicContact CG-CG2 4.48Å; E901-V988 HydrophobicContact CG-CB 3.85Å; E901-V988 HydrophobicContact CG-CG2 4.01Å; E901-V988 PolarHBondContact OE1-N 3.08Å; L986-V988 PolarHBondContact O-N 2.95Å; V988-D990 VanDerWaalsContact CB-OD1 3.26Å; V988-D990 WeakPolarHBondContact CB-OD1 3.21Å; V988-D990 HydrophobicContact CG1-CB 4.16Å; V988-D990 VanDerWaalsContact CG1-OD1 3.29Å; V988-D990 WeakPolarHBondContact CG1-OD1 3.46Å; V988-D990 WeakPolarHBondContact O-CB 3.17Å; V988-D990 PolarHBondContact O-N 3.01Å; V988-D990 VanDerWaalsContact O-N 3.09Å
989N84.6Confident86.6Confident8 Ų847.9 Ų47.94%0.04326%0.262CS..SBendtrans-59.896.4178.9-165.8147.3000112.5D1023 N1027 D1074 G1076 P1077 K1080 R1082N989-D1023 VanDerWaalsContact CA-OD2 3.26Å; N989-D1023 WeakPolarHBondContact CA-OD2 3.27Å; N989-D1023 PolarHBondContact ND2-OD2 2.96Å; N989-N1027 HydrophobicContact CB-CB 4.09Å; N989-N1027 PolarHBondContact N-ND2 3.08Å; N989-N1027 WeakPolarHBondContact OD1-CA 3.49Å; N989-N1027 WeakPolarHBondContact OD1-CB 3.36Å; N989-N1027 PolarHBondContact OD1-O 2.78Å; N989-N1027 VanDerWaalsContact OD1-O 3.11Å; N989-N1027 PolarHBondContact OD1-OD1 3.13Å; N989-D1074 PolarHBondContact ND2-OD1 3.05Å; N989-D1074 VanDerWaalsContact ND2-OD1 3.09Å; N989-D1074 PolarHBondContact ND2-OD2 2.91Å; N989-D1074 VanDerWaalsContact OD1-CG 3.27Å; N989-D1074 PolarHBondContact OD1-OD1 2.92Å; N989-D1074 PolarHBondContact OD1-OD2 3Å; N989-G1076 WeakPolarHBondContact OD1-CA 3.39Å; N989-P1077 WeakPolarHBondContact OD1-CD 3.45Å; N989-K1080 PolarHBondContact ND2-O 2.89Å; N989-K1080 PolarHBondContact OD1-O 2.94Å; N989-R1082 PolarHBondContact O-NE 3.25Å; N989-R1082 VanDerWaalsContact O-NE 3.12Å; N989-R1082 PolarHBondContact O-NH2 3.42Å; N989-R1082 WeakPolarHBondContact OD1-CD 3.45Å; N989-R1082 VanDerWaalsContact OD1-CG 3.23Å; N989-R1082 WeakPolarHBondContact OD1-CG 3.35Å; N989-R1082 PolarHBondContact OD1-NE 2.79Å; N989-R1082 VanDerWaalsContact OD1-NE 3.13Å
990D83.8Confident86.7Confident86.5 Ų86.548.3 Ų48.346%0.46326%0.261SS..  trans-134.7-9.7-176.296.5-51.4000117.2V988 D1023 R1082V988-D990 VanDerWaalsContact CB-OD1 3.26Å; V988-D990 WeakPolarHBondContact CB-OD1 3.21Å; V988-D990 HydrophobicContact CG1-CB 4.16Å; V988-D990 VanDerWaalsContact CG1-OD1 3.29Å; V988-D990 WeakPolarHBondContact CG1-OD1 3.46Å; V988-D990 WeakPolarHBondContact O-CB 3.17Å; V988-D990 PolarHBondContact O-N 3.01Å; V988-D990 VanDerWaalsContact O-N 3.09Å; D990-D1023 PolarHBondContact N-OD1 3.16Å; D990-D1023 PolarHBondContact N-OD2 2.96Å; D990-R1082 VanDerWaalsContact C-NH2 3.3Å; D990-R1082 VanDerWaalsContact CA-CZ 3.43Å; D990-R1082 VanDerWaalsContact CA-NH2 3.3Å; D990-R1082 VanDerWaalsContact O-CZ 3.23Å; D990-R1082 PolarHBondContact O-NH1 3.09Å; D990-R1082 PolarHBondContact O-NH2 3.12Å
991E84.8Confident86.8Confident78.75 Ų78.7552 Ų5237%0.36828%0.279SS..SBendtrans-84.3-161.8164.6-72-82.6102.600112.3E956 D1021 N1022 D1023 R1082E956-E991 HydrophobicContact CG-CG 4.14Å; E991-D1021 WeakPolarHBondContact CB-OD1 3.38Å; E991-N1022 HydrophobicContact CB-CB 4.01Å; E991-N1022 HydrophobicContact CG-CB 3.89Å; E991-N1022 WeakPolarHBondContact OE2-CB 3.3Å; E991-N1022 PolarHBondContact OE2-ND2 2.97Å; E991-D1023 VanDerWaalsContact CB-OD1 3.3Å; E991-D1023 WeakPolarHBondContact CB-OD1 3.37Å; E991-D1023 VanDerWaalsContact CG-OD1 3.27Å; E991-D1023 WeakPolarHBondContact CG-OD1 3.41Å; E991-D1023 PolarHBondContact N-OD1 2.95Å; E991-D1023 PolarHBondContact N-OD2 2.83Å; E991-R1082 WeakPolarHBondContact O-CD 3.39Å; E991-R1082 PolarHBondContact O-NE 2.99Å; E991-R1082 PolarHBondContact O-NH1 3.1Å
992T84.9Confident87Confident54 Ų5453.6 Ų53.633%0.33129%0.289SS..  trans-160.8141.6-171.4-580000113.8T994 D1021 R1082T992-T994 WeakPolarHBondContact O-CG2 3.5Å; T992-T994 PolarHBondContact O-N 3.01Å; T992-T994 PolarHBondContact O-OG1 2.93Å; T992-D1021 VanDerWaalsContact C-CG 3.45Å; T992-D1021 WeakPolarHBondContact CA-OD2 3.25Å; T992-D1021 PolarHBondContact N-OD1 3.17Å; T992-D1021 PolarHBondContact N-OD2 3.16Å; T992-R1082 HydrophobicContact CG2-CB 4.18Å; T992-R1082 WeakPolarHBondContact OG1-CD 3.4Å; T992-R1082 PolarHBondContact OG1-NH1 3.1Å
993P90.4Very high87.1Confident2.5 Ų2.556.3 Ų56.32%0.01631%0.308CS..  trans-66132.5179.3-2333.6000113.3T1020 D1021 L1030 A1072 D1074 G1084P993-T1020 WeakPolarHBondContact CA-O 3.24Å; P993-D1021 WeakPolarHBondContact CA-OD2 3.38Å; P993-D1021 WeakPolarHBondContact CD-OD2 3.31Å; P993-D1021 VanDerWaalsContact CG-OD2 3.31Å; P993-D1021 WeakPolarHBondContact CG-OD2 3.37Å; P993-L1030 HydrophobicContact CB-CD1 4.32Å; P993-L1030 HydrophobicContact CB-CD2 3.66Å; P993-L1030 HydrophobicContact CG-CD2 3.55Å; P993-L1030 VanDerWaalsContact CG-CD2 3.45Å; P993-A1072 HydrophobicContact CB-CB 3.89Å; P993-D1074 HydrophobicContact CG-CB 3.91Å; P993-G1084 WeakPolarHBondContact O-CA 3.4Å
994T87Confident87.2Confident66.25 Ų66.2556.5 Ų56.541%0.40631%0.31SS..EExtended strand (participates in β ladder)trans-135.3124.3-178.7-42.70000113.4T992 F996 C1019 T1020T992-T994 WeakPolarHBondContact O-CG2 3.5Å; T992-T994 PolarHBondContact O-N 3.01Å; T992-T994 PolarHBondContact O-OG1 2.93Å; T994-F996 HydrophobicContact CG2-CD2 4.07Å; T994-F996 HydrophobicContact CG2-CE2 3.56Å; T994-F996 HydrophobicContact CG2-CZ 4.32Å; T994-F996 WeakPolarHBondContact OG1-CE2 3.46Å; T994-C1019 VanDerWaalsContact C-SG 3.55Å; T994-C1019 PolarHBondContact N-SG 2.85Å; T994-C1019 VanDerWaalsContact N-SG 3.43Å; T994-C1019 VanDerWaalsContact O-CA 3.29Å; T994-C1019 WeakPolarHBondContact O-CA 3.23Å; T994-C1019 PolarHBondContact O-SG 2.87Å; T994-T1020 PolarHBondContact N-O 3.05Å; T994-T1020 PolarHBondContact O-N 3.14Å; T994-T1020 PolarHBondContact OG1-O 2.76Å; T994-T1020 VanDerWaalsContact OG1-O 3.11Å
995F89.4Confident87.3Confident13.5 Ų13.553 Ų536%0.05930%0.302CS..EExtended strand (participates in β ladder)trans-85.6140.2178.7-77.2-82.5000113.6P997 A998 Y1000 L1017 N1018 C1019 Y1032 A1072 G1084 T1085 A1086F995-P997 VanDerWaalsContact C-C 3.41Å; F995-P997 CarbonylContact C-O 3.6Å; F995-P997 VanDerWaalsContact C-O 3.29Å; F995-P997 WeakPolarHBondContact CB-O 3.17Å; F995-P997 CarbonylContact O-C 3.46Å; F995-A998 PolarHBondContact O-N 3.17Å; F995-A998 VanDerWaalsContact O-N 3.11Å; F995-Y1000 HydrophobicContact CD1-CE2 4.48Å; F995-L1017 HydrophobicContact CD1-CB 4.14Å; F995-L1017 HydrophobicContact CE1-CB 3.89Å; F995-L1017 HydrophobicContact CE1-CD1 4.01Å; F995-L1017 HydrophobicContact CE1-CG 4.43Å; F995-L1017 HydrophobicContact CZ-CD1 4.41Å; F995-N1018 CarbonylContact C-O 3.44Å; F995-N1018 VanDerWaalsContact CA-O 3.31Å; F995-N1018 WeakPolarHBondContact CA-O 3.29Å; F995-N1018 WeakPolarHBondContact CD1-O 3.48Å; F995-C1019 HydrophobicContact CD1-CB 3.72Å; F995-C1019 HydrophobicContact CE1-CB 3.93Å; F995-C1019 HydrophobicContact CG-CB 4.15Å; F995-C1019 HydrophobicContact CZ-CB 4.19Å; F995-Y1032 AromaticContact CE1-CD1 3.89Å; F995-Y1032 HydrophobicContact CE1-CD1 4.16Å; F995-Y1032 AromaticContact CE1-CE1 3.68Å; F995-Y1032 HydrophobicContact CE1-CE1 3.95Å; F995-Y1032 AromaticContact CZ-CD1 3.88Å; F995-Y1032 HydrophobicContact CZ-CD1 4.06Å; F995-Y1032 AromaticContact CZ-CE1 3.95Å; F995-Y1032 HydrophobicContact CZ-CE1 4.14Å; F995-A1072 HydrophobicContact CD2-CB 4.18Å; F995-A1072 HydrophobicContact CE1-CB 4.3Å; F995-A1072 HydrophobicContact CE2-CB 3.55Å; F995-A1072 VanDerWaalsContact CE2-CB 3.46Å; F995-A1072 HydrophobicContact CZ-CB 3.52Å; F995-A1072 VanDerWaalsContact CZ-CB 3.47Å; F995-G1084 WeakPolarHBondContact CE2-O 3.37Å; F995-T1085 WeakPolarHBondContact CD2-O 3.49Å; F995-A1086 HydrophobicContact CB-CB 3.96Å; F995-A1086 HydrophobicContact CD1-CB 4.05Å; F995-A1086 HydrophobicContact CD2-CB 3.94Å; F995-A1086 HydrophobicContact CE1-CB 4.2Å; F995-A1086 HydrophobicContact CE2-CB 4.08Å; F995-A1086 HydrophobicContact CG-CB 3.91Å; F995-A1086 HydrophobicContact CZ-CB 4.2Å
996F83.4Confident87.4Confident139.75 Ų139.7553.1 Ų53.161%0.61330%0.302SS*.SBendtrans-139.7107.4174.8-92.7-83.7000112.9T994 Y1000 N1018 T1020T994-F996 HydrophobicContact CG2-CD2 4.07Å; T994-F996 HydrophobicContact CG2-CE2 3.56Å; T994-F996 HydrophobicContact CG2-CZ 4.32Å; T994-F996 WeakPolarHBondContact OG1-CE2 3.46Å; F996-Y1000 PolarHBondContact O-OH 2.87Å; F996-N1018 PolarHBondContact N-O 3.04Å; F996-N1018 WeakPolarHBondContact O-CB 3.34Å; F996-N1018 PolarHBondContact O-ND2 2.94Å; F996-N1018 VanDerWaalsContact O-ND2 3.14Å; F996-T1020 WeakPolarHBondContact CE2-OG1 3.27Å
997P89.2Confident87.4Confident74.75 Ų74.7555.3 Ų55.349%0.48531%0.314SS..SBendcis-78.8171-4.535.2-38.4000113.5F995 V999 Y1000F995-P997 VanDerWaalsContact C-C 3.41Å; F995-P997 CarbonylContact C-O 3.6Å; F995-P997 VanDerWaalsContact C-O 3.29Å; F995-P997 WeakPolarHBondContact CB-O 3.17Å; F995-P997 CarbonylContact O-C 3.46Å; P997-V999 VanDerWaalsContact C-N 3.28Å; P997-V999 WeakPolarHBondContact CG-O 3.32Å; P997-V999 PolarHBondContact O-N 2.74Å; P997-Y1000 WeakPolarHBondContact CD-OH 3.37Å; P997-Y1000 HydrophobicContact CG-CD1 4.19Å; P997-Y1000 HydrophobicContact CG-CD2 4.48Å; P997-Y1000 HydrophobicContact CG-CE1 4.08Å; P997-Y1000 HydrophobicContact CG-CE2 4.38Å; P997-Y1000 HydrophobicContact CG-CG 4.43Å; P997-Y1000 VanDerWaalsContact O-CE2 3.29Å; P997-Y1000 WeakPolarHBondContact O-CE2 3.37Å; P997-Y1000 VanDerWaalsContact O-CZ 3.31Å; P997-Y1000 PolarHBondContact O-OH 3.01Å
998A85.6Confident87.5Confident51 Ų5154.3 Ų54.342%0.42131%0.31SS..SBendtrans-89.7-7.4178.500000115.1F995 A1086 T1087F995-A998 PolarHBondContact O-N 3.17Å; F995-A998 VanDerWaalsContact O-N 3.11Å; A998-A1086 CarbonylContact O-C 3.59Å; A998-A1086 VanDerWaalsContact O-CA 3.3Å; A998-A1086 WeakPolarHBondContact O-CA 3.33Å; A998-A1086 WeakPolarHBondContact O-CB 3.25Å; A998-T1087 PolarHBondContact O-N 2.98Å
999V90.4Very high87.4Confident83 Ų8356.7 Ų56.750%0.50333%0.326SS..EExtended strand (participates in β ladder)trans-136131.6-179.5-175.80000110.6P997 T1087 F1089P997-V999 VanDerWaalsContact C-N 3.28Å; P997-V999 WeakPolarHBondContact CG-O 3.32Å; P997-V999 PolarHBondContact O-N 2.74Å; V999-T1087 CarbonylContact C-O 3.46Å; V999-T1087 VanDerWaalsContact CA-O 3.32Å; V999-T1087 WeakPolarHBondContact CA-O 3.38Å; V999-F1089 HydrophobicContact CG1-CD2 3.81Å; V999-F1089 HydrophobicContact CG1-CE2 3.94Å
1000Y90.7Very high87.2Confident28.75 Ų28.7564.1 Ų64.111%0.11335%0.353CS..EExtended strand (participates in β ladder)trans-128.7137.9-179.3-58.9-103.1000110.5F995 F996 P997 V1015 W1016 L1017 N1018 A1086 T1087 V1088 F1089F995-Y1000 HydrophobicContact CD1-CE2 4.48Å; F996-Y1000 PolarHBondContact O-OH 2.87Å; P997-Y1000 WeakPolarHBondContact CD-OH 3.37Å; P997-Y1000 HydrophobicContact CG-CD1 4.19Å; P997-Y1000 HydrophobicContact CG-CD2 4.48Å; P997-Y1000 HydrophobicContact CG-CE1 4.08Å; P997-Y1000 HydrophobicContact CG-CE2 4.38Å; P997-Y1000 HydrophobicContact CG-CG 4.43Å; P997-Y1000 VanDerWaalsContact O-CE2 3.29Å; P997-Y1000 WeakPolarHBondContact O-CE2 3.37Å; P997-Y1000 VanDerWaalsContact O-CZ 3.31Å; P997-Y1000 PolarHBondContact O-OH 3.01Å; Y1000-V1015 HydrophobicContact CD1-CG2 3.7Å; Y1000-V1015 VanDerWaalsContact CD1-CG2 3.47Å; Y1000-V1015 HydrophobicContact CE1-CG2 4.28Å; Y1000-V1015 HydrophobicContact CG-CG2 4.27Å; Y1000-W1016 WeakPolarHBondContact CE1-O 3.41Å; Y1000-L1017 HydrophobicContact CD1-CD2 4.17Å; Y1000-L1017 HydrophobicContact CD2-CD2 3.63Å; Y1000-L1017 HydrophobicContact CE1-CD2 3.99Å; Y1000-L1017 HydrophobicContact CE2-CB 4.44Å; Y1000-L1017 HydrophobicContact CE2-CD2 3.46Å; Y1000-L1017 VanDerWaalsContact CE2-CD2 3.48Å; Y1000-L1017 HydrophobicContact CE2-CG 4.49Å; Y1000-L1017 HydrophobicContact CG-CD2 4.01Å; Y1000-L1017 VanDerWaalsContact CZ-CD2 3.44Å; Y1000-N1018 PolarHBondContact OH-N 2.97Å; Y1000-N1018 PolarHBondContact OH-O 3.43Å; Y1000-A1086 HydrophobicContact CD2-CB 4.45Å; Y1000-A1086 HydrophobicContact CE2-CB 4.37Å; Y1000-T1087 PolarHBondContact N-O 2.96Å; Y1000-V1088 HydrophobicContact CD2-CG2 4.24Å; Y1000-V1088 HydrophobicContact CG-CG2 4.36Å; Y1000-V1088 CarbonylContact O-C 3.52Å; Y1000-V1088 VanDerWaalsContact O-CA 3.31Å; Y1000-V1088 WeakPolarHBondContact O-CA 3.19Å; Y1000-F1089 PolarHBondContact O-N 3.13Å
1001N90.4Very high87.1Confident126.6 Ų126.664.5 Ų64.568%0.67735%0.352SS*.EExtended strand (participates in β ladder)trans-119.6127.7174.4-65.1-15.7000109.2F1089N1001-F1089 CarbonylContact C-O 3.59Å; N1001-F1089 WeakPolarHBondContact OD1-CD2 3.36Å
1002V90.5Very high87.3Confident33.6 Ų33.664.8 Ų64.820%0.20435%0.352CS..EExtended strand (participates in β ladder)trans-140.9151.2-176.2-111.30000111.7V1004 V1014 V1015 V1088 F1089 V1090 T1091V1002-V1004 HydrophobicContact CG1-CG2 4.03Å; V1002-V1014 HydrophobicContact CB-CG1 4Å; V1002-V1014 HydrophobicContact CG1-CG1 3.91Å; V1002-V1014 HydrophobicContact CG2-CG1 3.87Å; V1002-V1015 HydrophobicContact CG1-CB 4.24Å; V1002-V1015 HydrophobicContact CG1-CG2 4.31Å; V1002-V1015 HydrophobicContact CG2-CB 4.16Å; V1002-V1015 HydrophobicContact CG2-CG1 4.46Å; V1002-V1015 HydrophobicContact CG2-CG2 4.29Å; V1002-V1088 HydrophobicContact CG2-CG1 3.99Å; V1002-F1089 VanDerWaalsContact CG2-O 3.23Å; V1002-F1089 WeakPolarHBondContact CG2-O 3.47Å; V1002-F1089 PolarHBondContact N-O 3.22Å; V1002-V1090 HydrophobicContact CG2-CB 4.36Å; V1002-V1090 HydrophobicContact CG2-CG1 4.33Å; V1002-V1090 HydrophobicContact CG2-CG2 4.03Å; V1002-V1090 WeakPolarHBondContact O-CA 3.32Å; V1002-T1091 PolarHBondContact O-N 3.06Å; V1002-T1091 VanDerWaalsContact O-N 3.17Å; V1002-T1091 PolarHBondContact O-OG1 2.91Å
1003S89.2Confident87.5Confident77.6 Ų77.670.5 Ų70.554%0.54337%0.368SS..EExtended strand (participates in β ladder)trans-123.5129175.958.70000109.9T1091S1003-T1091 CarbonylContact C-O 3.47Å; S1003-T1091 VanDerWaalsContact CA-O 3.31Å; S1003-T1091 WeakPolarHBondContact CA-O 3.4Å; S1003-T1091 WeakPolarHBondContact CA-OG1 3.22Å
1004V89.4Confident87.5Confident4.8 Ų4.871.1 Ų71.13%0.02937%0.371CS..EExtended strand (participates in β ladder)trans-132.1128.2-171.4-173.50000109V1002 V1008 F1012 V1014 T1054 L1058 V1090 T1091 V1092 L1093V1002-V1004 HydrophobicContact CG1-CG2 4.03Å; V1004-V1008 HydrophobicContact CG1-CB 4.35Å; V1004-V1008 HydrophobicContact CG1-CG1 3.9Å; V1004-V1008 HydrophobicContact CG1-CG2 3.71Å; V1004-F1012 HydrophobicContact CG1-CD1 4.16Å; V1004-F1012 HydrophobicContact CG1-CE1 4.14Å; V1004-V1014 HydrophobicContact CG1-CG2 4.46Å; V1004-V1014 HydrophobicContact CG2-CB 4.4Å; V1004-V1014 HydrophobicContact CG2-CG1 3.94Å; V1004-V1014 HydrophobicContact CG2-CG2 4.23Å; V1004-T1054 HydrophobicContact CG1-CG2 4.45Å; V1004-L1058 HydrophobicContact CB-CD1 4.26Å; V1004-L1058 HydrophobicContact CG1-CD1 3.84Å; V1004-V1090 HydrophobicContact CB-CG1 4.32Å; V1004-V1090 HydrophobicContact CG2-CG1 3.81Å; V1004-T1091 PolarHBondContact N-O 2.98Å; V1004-V1092 CarbonylContact O-C 3.53Å; V1004-V1092 VanDerWaalsContact O-CA 3.27Å; V1004-V1092 WeakPolarHBondContact O-CA 3.31Å; V1004-L1093 PolarHBondContact O-N 3.07Å
1005S88.6Confident87.7Confident37 Ų3769.1 Ų69.126%0.25936%0.359SS..EExtended strand (participates in β ladder)trans-65.3146.5172.8-160.60000110.6D1007 V1008 V1095S1005-D1007 VanDerWaalsContact C-N 3.33Å; S1005-D1007 WeakPolarHBondContact CB-OD1 3.27Å; S1005-D1007 PolarHBondContact OG-OD1 3.02Å; S1005-V1008 VanDerWaalsContact O-CG1 3.28Å; S1005-V1008 WeakPolarHBondContact O-CG1 3.2Å; S1005-V1008 VanDerWaalsContact O-CG2 3.28Å; S1005-V1008 WeakPolarHBondContact O-CG2 3.28Å; S1005-V1008 PolarHBondContact O-N 3.22Å; S1005-V1095 WeakPolarHBondContact OG-CG2 3.37Å
1006E88.4Confident87.8Confident10.2 Ų10.275.7 Ų75.75%0.04838%0.383CS..THydrogen-bonded Turntrans-74.4-28.9-178.970.7-159.5115.600114.2V1008 L1058 D1059 R1060 V1092 L1093 D1094 V1095E1006-V1008 PolarHBondContact O-N 2.89Å; E1006-L1058 HydrophobicContact CB-CB 4.07Å; E1006-D1059 WeakPolarHBondContact OE2-CA 3.41Å; E1006-R1060 VanDerWaalsContact OE1-CB 3.24Å; E1006-R1060 WeakPolarHBondContact OE1-CB 3.25Å; E1006-R1060 WeakPolarHBondContact OE2-CB 3.22Å; E1006-R1060 PolarHBondContact OE2-N 2.95Å; E1006-V1092 HydrophobicContact CB-CG1 3.72Å; E1006-L1093 PolarHBondContact N-O 3.17Å; E1006-L1093 VanDerWaalsContact N-O 3.17Å; E1006-D1094 VanDerWaalsContact OE1-CA 3.28Å; E1006-D1094 WeakPolarHBondContact OE1-CA 3.26Å; E1006-V1095 HydrophobicContact CG-CB 3.95Å; E1006-V1095 HydrophobicContact CG-CG2 3.96Å; E1006-V1095 PolarHBondContact OE1-N 3.01Å
1007D85.1Confident88Confident109 Ų10969.1 Ų69.158%0.58335%0.354SS*.THydrogen-bonded Turntrans-67.82.5174.777.6-37.9000114.6S1005 V1095S1005-D1007 VanDerWaalsContact C-N 3.33Å; S1005-D1007 WeakPolarHBondContact CB-OD1 3.27Å; S1005-D1007 PolarHBondContact OG-OD1 3.02Å; D1007-V1095 HydrophobicContact CB-CB 4.34Å; D1007-V1095 HydrophobicContact CB-CG1 4.33Å; D1007-V1095 HydrophobicContact CB-CG2 4.15Å
1008V86.6Confident88Confident16 Ų1668.5 Ų68.510%0.09735%0.347CS..PPolyproline II helixtrans-62137.5177.9-670000111.2V1004 S1005 E1006 F1012 T1054 L1058V1004-V1008 HydrophobicContact CG1-CB 4.35Å; V1004-V1008 HydrophobicContact CG1-CG1 3.9Å; V1004-V1008 HydrophobicContact CG1-CG2 3.71Å; S1005-V1008 VanDerWaalsContact O-CG1 3.28Å; S1005-V1008 WeakPolarHBondContact O-CG1 3.2Å; S1005-V1008 VanDerWaalsContact O-CG2 3.28Å; S1005-V1008 WeakPolarHBondContact O-CG2 3.28Å; S1005-V1008 PolarHBondContact O-N 3.22Å; E1006-V1008 PolarHBondContact O-N 2.89Å; V1008-F1012 HydrophobicContact CB-CB 3.86Å; V1008-F1012 HydrophobicContact CB-CD1 4.09Å; V1008-F1012 HydrophobicContact CB-CD2 4.06Å; V1008-F1012 HydrophobicContact CB-CG 3.74Å; V1008-F1012 HydrophobicContact CG1-CD1 3.95Å; V1008-F1012 HydrophobicContact CG1-CD2 3.96Å; V1008-F1012 HydrophobicContact CG1-CE1 4.09Å; V1008-F1012 HydrophobicContact CG1-CE2 4.09Å; V1008-F1012 HydrophobicContact CG1-CG 3.89Å; V1008-F1012 HydrophobicContact CG1-CZ 4.16Å; V1008-F1012 HydrophobicContact CG2-CB 4.11Å; V1008-F1012 HydrophobicContact CG2-CD1 4.27Å; V1008-F1012 HydrophobicContact CG2-CG 4.23Å; V1008-T1054 HydrophobicContact CG2-CG2 3.86Å; V1008-L1058 HydrophobicContact CG2-CD1 4.25Å
1009P82.2Confident88.2Confident88.8 Ų88.866.8 Ų66.858%0.57733%0.332SS*.PPolyproline II helixtrans-64.2159.1176.628.1-35.5000111.1F1012 T1054P1009-F1012 HydrophobicContact CG-CB 4.43Å; P1009-F1012 VanDerWaalsContact O-CB 3.22Å; P1009-F1012 WeakPolarHBondContact O-CB 3.33Å; P1009-F1012 PolarHBondContact O-N 2.9Å; P1009-F1012 VanDerWaalsContact O-N 3.13Å; P1009-T1054 PolarHBondContact O-OG1 3.06Å; P1009-T1054 VanDerWaalsContact O-OG1 3.07Å
1010R80.1Confident88Confident164.4 Ų164.466.3 Ų66.362%0.6233%0.329SS*.THydrogen-bonded Turntrans-53.2148.2163.9158.4178.5176.6-173.51.1110.7P368 F1012 V1055P368-R1010 PolarHBondContact O-NH2 2.77Å; R1010-F1012 VanDerWaalsContact C-N 3.27Å; R1010-F1012 PolarHBondContact O-N 3.31Å; R1010-V1055 VanDerWaalsContact CD-O 3.24Å; R1010-V1055 WeakPolarHBondContact CD-O 3.27Å; R1010-V1055 VanDerWaalsContact CG-O 3.28Å; R1010-V1055 WeakPolarHBondContact CG-O 3.32Å; R1010-V1055 PolarHBondContact NE-O 2.97Å
1011E83Confident87.9Confident94.2 Ų94.266 Ų6644%0.4433%0.33SS..THydrogen-bonded Turntrans65.713.2-172.1-53.7-61.614500114.8R1013 R1053 T1054E1011-R1013 PolarHBondContact O-N 2.93Å; E1011-R1053 WeakPolarHBondContact OE2-CD 3.43Å; E1011-R1053 IonicContact OE2-CZ 3.4Å; E1011-R1053 IonicContact OE2-NE 3.38Å; E1011-R1053 IonicContact OE2-NH1 3.22Å; E1011-R1053 PolarHBondContact OE2-NH1 3.29Å; E1011-T1054 WeakPolarHBondContact CA-O 3.43Å; E1011-T1054 PolarHBondContact N-O 2.91Å; E1011-T1054 PolarHBondContact N-OG1 3.33Å
1012F88Confident87.7Confident84.2 Ų84.264.8 Ų64.837%0.36932%0.323SS..  trans-64.1132.1173.8-178.7-91.7000110.8V1004 V1008 P1009 R1010 V1014 R1053 T1054V1004-F1012 HydrophobicContact CG1-CD1 4.16Å; V1004-F1012 HydrophobicContact CG1-CE1 4.14Å; V1008-F1012 HydrophobicContact CB-CB 3.86Å; V1008-F1012 HydrophobicContact CB-CD1 4.09Å; V1008-F1012 HydrophobicContact CB-CD2 4.06Å; V1008-F1012 HydrophobicContact CB-CG 3.74Å; V1008-F1012 HydrophobicContact CG1-CD1 3.95Å; V1008-F1012 HydrophobicContact CG1-CD2 3.96Å; V1008-F1012 HydrophobicContact CG1-CE1 4.09Å; V1008-F1012 HydrophobicContact CG1-CE2 4.09Å; V1008-F1012 HydrophobicContact CG1-CG 3.89Å; V1008-F1012 HydrophobicContact CG1-CZ 4.16Å; V1008-F1012 HydrophobicContact CG2-CB 4.11Å; V1008-F1012 HydrophobicContact CG2-CD1 4.27Å; V1008-F1012 HydrophobicContact CG2-CG 4.23Å; P1009-F1012 HydrophobicContact CG-CB 4.43Å; P1009-F1012 VanDerWaalsContact O-CB 3.22Å; P1009-F1012 WeakPolarHBondContact O-CB 3.33Å; P1009-F1012 PolarHBondContact O-N 2.9Å; P1009-F1012 VanDerWaalsContact O-N 3.13Å; R1010-F1012 VanDerWaalsContact C-N 3.27Å; R1010-F1012 PolarHBondContact O-N 3.31Å; F1012-V1014 HydrophobicContact CD1-CG2 4.38Å; F1012-V1014 PolarHBondContact O-N 3.02Å; F1012-R1053 CarbonylContact O-C 3.54Å; F1012-R1053 VanDerWaalsContact O-CA 3.26Å; F1012-R1053 WeakPolarHBondContact O-CA 3.34Å; F1012-T1054 HydrophobicContact CB-CG2 4.41Å; F1012-T1054 WeakPolarHBondContact CB-OG1 3.34Å; F1012-T1054 PolarHBondContact N-OG1 3.06Å; F1012-T1054 VanDerWaalsContact N-OG1 3.13Å; F1012-T1054 PolarHBondContact O-N 2.96Å; F1012-T1054 VanDerWaalsContact O-N 3.1Å
1013R90.1Very high87.6Confident174.6 Ų174.663.8 Ų63.866%0.65932%0.316SS*.EExtended strand (participates in β ladder)trans-82.8109.9-175.6-59.1-175.7-176.7-169.3-0.6110.6E1011 V1051E1011-R1013 PolarHBondContact O-N 2.93Å; R1013-V1051 HydrophobicContact CB-CG1 3.98Å; R1013-V1051 HydrophobicContact CG-CG1 3.9Å
1014V90.1Very high87.2Confident14.2 Ų14.264 Ų649%0.08631%0.314CS..EExtended strand (participates in β ladder)trans-80.5-52.5-176.7174.70000111.2V1002 V1004 F1012 F1043 V1052 T1054 V1090V1002-V1014 HydrophobicContact CB-CG1 4Å; V1002-V1014 HydrophobicContact CG1-CG1 3.91Å; V1002-V1014 HydrophobicContact CG2-CG1 3.87Å; V1004-V1014 HydrophobicContact CG1-CG2 4.46Å; V1004-V1014 HydrophobicContact CG2-CB 4.4Å; V1004-V1014 HydrophobicContact CG2-CG1 3.94Å; V1004-V1014 HydrophobicContact CG2-CG2 4.23Å; F1012-V1014 HydrophobicContact CD1-CG2 4.38Å; F1012-V1014 PolarHBondContact O-N 3.02Å; V1014-F1043 HydrophobicContact CG1-CE1 4.41Å; V1014-F1043 HydrophobicContact CG2-CD1 4.06Å; V1014-F1043 HydrophobicContact CG2-CE1 3.94Å; V1014-V1052 HydrophobicContact CB-CB 4.28Å; V1014-V1052 HydrophobicContact CB-CG1 4.14Å; V1014-V1052 WeakPolarHBondContact CB-O 3.39Å; V1014-V1052 HydrophobicContact CG1-CG1 4.41Å; V1014-V1052 HydrophobicContact CG2-CG1 4.47Å; V1014-V1052 PolarHBondContact N-O 3.01Å; V1014-T1054 HydrophobicContact CG2-CG2 4.12Å; V1014-V1090 HydrophobicContact CG1-CG1 4.44Å; V1014-V1090 HydrophobicContact CG1-CG2 4.12Å
1015V91.3Very high86.9Confident24.2 Ų24.266.2 Ų66.215%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-157.2156.5177.867.60000110.5Y1000 V1002 L1017 V1051 V1052 V1088Y1000-V1015 HydrophobicContact CD1-CG2 3.7Å; Y1000-V1015 VanDerWaalsContact CD1-CG2 3.47Å; Y1000-V1015 HydrophobicContact CE1-CG2 4.28Å; Y1000-V1015 HydrophobicContact CG-CG2 4.27Å; V1002-V1015 HydrophobicContact CG1-CB 4.24Å; V1002-V1015 HydrophobicContact CG1-CG2 4.31Å; V1002-V1015 HydrophobicContact CG2-CB 4.16Å; V1002-V1015 HydrophobicContact CG2-CG1 4.46Å; V1002-V1015 HydrophobicContact CG2-CG2 4.29Å; V1015-L1017 HydrophobicContact CG1-CD2 4.05Å; V1015-L1017 HydrophobicContact CG1-CG 4.39Å; V1015-L1017 HydrophobicContact CG2-CD2 4.21Å; V1015-V1051 CarbonylContact O-C 3.54Å; V1015-V1051 VanDerWaalsContact O-CA 3.3Å; V1015-V1051 WeakPolarHBondContact O-CA 3.38Å; V1015-V1052 HydrophobicContact CG1-CB 3.87Å; V1015-V1052 HydrophobicContact CG1-CG2 3.72Å; V1015-V1052 PolarHBondContact N-O 3.32Å; V1015-V1052 PolarHBondContact O-N 3.06Å; V1015-V1088 HydrophobicContact CG1-CG1 3.89Å; V1015-V1088 HydrophobicContact CG1-CG2 4.07Å
1016W91.3Very high86.4Confident152.8 Ų152.868.8 Ų68.858%0.57935%0.349SS*.EExtended strand (participates in β ladder)trans-111.8130.7168.9174.366.2000109.6Y1000 N1018 D1049 A1050 V1051Y1000-W1016 WeakPolarHBondContact CE1-O 3.41Å; W1016-N1018 HydrophobicContact CH2-CB 3.98Å; W1016-N1018 WeakPolarHBondContact CH2-OD1 3.49Å; W1016-N1018 HydrophobicContact CZ2-CB 4.38Å; W1016-N1018 HydrophobicContact CZ3-CB 4.09Å; W1016-D1049 VanDerWaalsContact CD1-O 3.26Å; W1016-D1049 PolarHBondContact NE1-O 3.24Å; W1016-D1049 VanDerWaalsContact NE1-O 3.12Å; W1016-A1050 WeakPolarHBondContact CA-O 3.39Å; W1016-V1051 HydrophobicContact CB-CG2 4.29Å; W1016-V1051 HydrophobicContact CG-CG2 4.27Å
1017L88.9Confident86.1Confident1 Ų169.2 Ų69.21%0.00535%0.351CS..  trans-99.8145.9-179.6-47.2175.1000110.5F995 Y1000 V1015 C1019 V1045 A1050 V1052 L1070 V1088F995-L1017 HydrophobicContact CD1-CB 4.14Å; F995-L1017 HydrophobicContact CE1-CB 3.89Å; F995-L1017 HydrophobicContact CE1-CD1 4.01Å; F995-L1017 HydrophobicContact CE1-CG 4.43Å; F995-L1017 HydrophobicContact CZ-CD1 4.41Å; Y1000-L1017 HydrophobicContact CD1-CD2 4.17Å; Y1000-L1017 HydrophobicContact CD2-CD2 3.63Å; Y1000-L1017 HydrophobicContact CE1-CD2 3.99Å; Y1000-L1017 HydrophobicContact CE2-CB 4.44Å; Y1000-L1017 HydrophobicContact CE2-CD2 3.46Å; Y1000-L1017 VanDerWaalsContact CE2-CD2 3.48Å; Y1000-L1017 HydrophobicContact CE2-CG 4.49Å; Y1000-L1017 HydrophobicContact CG-CD2 4.01Å; Y1000-L1017 VanDerWaalsContact CZ-CD2 3.44Å; V1015-L1017 HydrophobicContact CG1-CD2 4.05Å; V1015-L1017 HydrophobicContact CG1-CG 4.39Å; V1015-L1017 HydrophobicContact CG2-CD2 4.21Å; L1017-C1019 PolarHBondContact O-N 2.75Å; L1017-V1045 HydrophobicContact CD1-CG2 4.38Å; L1017-A1050 HydrophobicContact CB-CB 4.07Å; L1017-A1050 WeakPolarHBondContact CB-O 3.37Å; L1017-A1050 WeakPolarHBondContact CG-O 3.29Å; L1017-A1050 PolarHBondContact N-O 2.89Å; L1017-A1050 VanDerWaalsContact O-CB 3.25Å; L1017-A1050 WeakPolarHBondContact O-CB 3.38Å; L1017-V1052 HydrophobicContact CD1-CG2 4.27Å; L1017-V1052 HydrophobicContact CG-CG2 4.34Å; L1017-L1070 HydrophobicContact CD1-CB 4.18Å; L1017-L1070 HydrophobicContact CD1-CD1 4.26Å; L1017-L1070 HydrophobicContact CD1-CD2 3.77Å; L1017-L1070 HydrophobicContact CD1-CG 4.29Å; L1017-V1088 HydrophobicContact CD1-CG2 4.44Å; L1017-V1088 HydrophobicContact CD2-CG2 3.9Å
1018N88.3Confident85.9Confident62.6 Ų62.665.4 Ų65.434%0.33534%0.335SS..  trans-116.6115.5-179177.747.1000110F995 F996 Y1000 W1016F995-N1018 CarbonylContact C-O 3.44Å; F995-N1018 VanDerWaalsContact CA-O 3.31Å; F995-N1018 WeakPolarHBondContact CA-O 3.29Å; F995-N1018 WeakPolarHBondContact CD1-O 3.48Å; F996-N1018 PolarHBondContact N-O 3.04Å; F996-N1018 WeakPolarHBondContact O-CB 3.34Å; F996-N1018 PolarHBondContact O-ND2 2.94Å; F996-N1018 VanDerWaalsContact O-ND2 3.14Å; Y1000-N1018 PolarHBondContact OH-N 2.97Å; Y1000-N1018 PolarHBondContact OH-O 3.43Å; W1016-N1018 HydrophobicContact CH2-CB 3.98Å; W1016-N1018 WeakPolarHBondContact CH2-OD1 3.49Å; W1016-N1018 HydrophobicContact CZ2-CB 4.38Å; W1016-N1018 HydrophobicContact CZ3-CB 4.09Å
1019C88.9Confident85.8Confident14.2 Ų14.267.4 Ų67.410%0.09634%0.343CS..EExtended strand (participates in β ladder)trans-139.3145.9-179.3-164.40000110.3T994 F995 L1017 L1030 Y1032 A1072T994-C1019 VanDerWaalsContact C-SG 3.55Å; T994-C1019 PolarHBondContact N-SG 2.85Å; T994-C1019 VanDerWaalsContact N-SG 3.43Å; T994-C1019 VanDerWaalsContact O-CA 3.29Å; T994-C1019 WeakPolarHBondContact O-CA 3.23Å; T994-C1019 PolarHBondContact O-SG 2.87Å; F995-C1019 HydrophobicContact CD1-CB 3.72Å; F995-C1019 HydrophobicContact CE1-CB 3.93Å; F995-C1019 HydrophobicContact CG-CB 4.15Å; F995-C1019 HydrophobicContact CZ-CB 4.19Å; L1017-C1019 PolarHBondContact O-N 2.75Å; C1019-L1030 VanDerWaalsContact C-CD1 3.43Å; C1019-L1030 HydrophobicContact CB-CD1 3.89Å; C1019-L1030 VanDerWaalsContact SG-CD1 3.52Å; C1019-Y1032 HydrophobicContact CB-CE1 3.81Å; C1019-Y1032 WeakPolarHBondContact CB-OH 3.38Å; C1019-A1072 HydrophobicContact CB-CB 4.36Å
1020T87.4Confident86Confident73.2 Ų73.264 Ų6445%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-137.9146.3-178.452.80000111.9P993 T994 F996P993-T1020 WeakPolarHBondContact CA-O 3.24Å; T994-T1020 PolarHBondContact N-O 3.05Å; T994-T1020 PolarHBondContact O-N 3.14Å; T994-T1020 PolarHBondContact OG1-O 2.76Å; T994-T1020 VanDerWaalsContact OG1-O 3.11Å; F996-T1020 WeakPolarHBondContact CE2-OG1 3.27Å
1021D88.7Confident86.3Confident23.6 Ų23.656.2 Ų56.213%0.12629%0.291CS..  trans-127.1160.5163.5-146.5-43.8000109.8E991 T992 P993 D1023 A1028 L1030E991-D1021 WeakPolarHBondContact CB-OD1 3.38Å; T992-D1021 VanDerWaalsContact C-CG 3.45Å; T992-D1021 WeakPolarHBondContact CA-OD2 3.25Å; T992-D1021 PolarHBondContact N-OD1 3.17Å; T992-D1021 PolarHBondContact N-OD2 3.16Å; P993-D1021 WeakPolarHBondContact CA-OD2 3.38Å; P993-D1021 WeakPolarHBondContact CD-OD2 3.31Å; P993-D1021 VanDerWaalsContact CG-OD2 3.31Å; P993-D1021 WeakPolarHBondContact CG-OD2 3.37Å; D1021-D1023 PolarHBondContact OD1-N 3.08Å; D1021-A1028 HydrophobicContact CB-CB 4.01Å; D1021-L1030 HydrophobicContact CB-CD2 4.19Å
1022N85.5Confident86.6Confident101.2 Ų101.252.8 Ų52.854%0.54127%0.274SS..  trans-109.8-17.2-172.3-74.3-38.7000114.6R955 E956 E991R955-N1022 PolarHBondContact NH2-O 2.89Å; E956-N1022 HydrophobicContact CG-CB 3.7Å; E956-N1022 WeakPolarHBondContact CG-O 3.39Å; E991-N1022 HydrophobicContact CB-CB 4.01Å; E991-N1022 HydrophobicContact CG-CB 3.89Å; E991-N1022 WeakPolarHBondContact OE2-CB 3.3Å; E991-N1022 PolarHBondContact OE2-ND2 2.97Å
1023D88.7Confident86.6Confident11 Ų1152 Ų526%0.05927%0.27CS..SBendtrans-61-174.7174-66.3-12.9000112.2N989 D990 E991 D1021 N1027 A1028N989-D1023 VanDerWaalsContact CA-OD2 3.26Å; N989-D1023 WeakPolarHBondContact CA-OD2 3.27Å; N989-D1023 PolarHBondContact ND2-OD2 2.96Å; D990-D1023 PolarHBondContact N-OD1 3.16Å; D990-D1023 PolarHBondContact N-OD2 2.96Å; E991-D1023 VanDerWaalsContact CB-OD1 3.3Å; E991-D1023 WeakPolarHBondContact CB-OD1 3.37Å; E991-D1023 VanDerWaalsContact CG-OD1 3.27Å; E991-D1023 WeakPolarHBondContact CG-OD1 3.41Å; E991-D1023 PolarHBondContact N-OD1 2.95Å; E991-D1023 PolarHBondContact N-OD2 2.83Å; D1021-D1023 PolarHBondContact OD1-N 3.08Å; D1023-N1027 HydrophobicContact CB-CB 3.53Å; D1023-N1027 VanDerWaalsContact CB-CB 3.49Å; D1023-A1028 VanDerWaalsContact C-CB 3.45Å; D1023-A1028 HydrophobicContact CB-CB 4.23Å; D1023-A1028 WeakPolarHBondContact O-CB 3.31Å
1024V80.7Confident86.5Confident82 Ų8245.3 Ų45.350%0.49725%0.248SC..  trans-124144.1178.1179.80000114D987 L1026 N1027D987-V1024 HydrophobicContact CB-CB 4.37Å; D987-V1024 VanDerWaalsContact CG-N 3.32Å; D987-V1024 WeakPolarHBondContact OD1-CB 3.25Å; D987-V1024 PolarHBondContact OD1-N 3.1Å; D987-V1024 PolarHBondContact OD2-N 2.99Å; D987-V1024 VanDerWaalsContact OD2-N 3.12Å; D987-V1024 VanDerWaalsContact OD2-O 3.08Å; V1024-L1026 PolarHBondContact O-N 3.17Å; V1024-N1027 PolarHBondContact O-N 3.34Å
1025G82.6Confident86.2Confident51.4 Ų51.448 Ų4853%0.5326%0.264SS..G310 helixtrans73-130.9176.400000111.2N1027 A1028 E1029G1025-N1027 VanDerWaalsContact C-N 3.29Å; G1025-N1027 PolarHBondContact O-N 3.24Å; G1025-A1028 CarbonylContact O-C 3.52Å; G1025-A1028 PolarHBondContact O-N 2.99Å; G1025-E1029 WeakPolarHBondContact O-CB 3.19Å; G1025-E1029 PolarHBondContact O-N 3.02Å; G1025-E1029 VanDerWaalsContact O-N 3.11Å
1026L78.8Confident85.9Confident91.8 Ų91.849.1 Ų49.148%0.48128%0.276SS..G310 helixtrans-62.2-30.4-179.8-68174.4000112.7E541 V1024 A1028 E1029 N1075 G1076E541-L1026 HydrophobicContact CG-CD1 3.95Å; V1024-L1026 PolarHBondContact O-N 3.17Å; L1026-A1028 VanDerWaalsContact C-N 3.28Å; L1026-A1028 PolarHBondContact O-N 3.15Å; L1026-E1029 WeakPolarHBondContact CD2-OE2 3.35Å; L1026-E1029 PolarHBondContact O-N 3.04Å; L1026-E1029 VanDerWaalsContact O-N 3.14Å; L1026-N1075 HydrophobicContact CB-CB 4.26Å; L1026-N1075 HydrophobicContact CD2-CB 4.08Å; L1026-N1075 CarbonylContact O-C 3.55Å; L1026-N1075 VanDerWaalsContact O-C 3.27Å; L1026-N1075 VanDerWaalsContact O-CA 3.27Å; L1026-N1075 WeakPolarHBondContact O-CA 3.32Å; L1026-N1075 VanDerWaalsContact O-CB 3.32Å; L1026-N1075 WeakPolarHBondContact O-CB 3.31Å; L1026-N1075 PolarHBondContact O-N 3.13Å; L1026-N1075 VanDerWaalsContact O-N 3.12Å; L1026-G1076 PolarHBondContact O-N 3.1Å
1027N81Confident85.5Confident19.6 Ų19.643.3 Ų43.311%0.10526%0.263CS..G310 helixtrans-68-20.7179.8-61.6-12.6000112.5D987 N989 D1023 V1024 G1025 D1074 G1076 P1077D987-N1027 VanDerWaalsContact OD2-CB 3.3Å; D987-N1027 WeakPolarHBondContact OD2-CB 3.33Å; D987-N1027 PolarHBondContact OD2-ND2 3.12Å; N989-N1027 HydrophobicContact CB-CB 4.09Å; N989-N1027 PolarHBondContact N-ND2 3.08Å; N989-N1027 WeakPolarHBondContact OD1-CA 3.49Å; N989-N1027 WeakPolarHBondContact OD1-CB 3.36Å; N989-N1027 PolarHBondContact OD1-O 2.78Å; N989-N1027 VanDerWaalsContact OD1-O 3.11Å; N989-N1027 PolarHBondContact OD1-OD1 3.13Å; D1023-N1027 HydrophobicContact CB-CB 3.53Å; D1023-N1027 VanDerWaalsContact CB-CB 3.49Å; V1024-N1027 PolarHBondContact O-N 3.34Å; G1025-N1027 VanDerWaalsContact C-N 3.29Å; G1025-N1027 PolarHBondContact O-N 3.24Å; N1027-D1074 WeakPolarHBondContact O-CB 3.34Å; N1027-G1076 WeakPolarHBondContact OD1-CA 3.41Å; N1027-P1077 VanDerWaalsContact OD1-CD 3.31Å; N1027-P1077 WeakPolarHBondContact OD1-CD 3.41Å
1028A82Confident85.4Confident28 Ų2845 Ų4523%0.23127%0.272CS..THydrogen-bonded Turntrans-115.43.4172.400000114.6D1021 D1023 G1025 L1026 L1030D1021-A1028 HydrophobicContact CB-CB 4.01Å; D1023-A1028 VanDerWaalsContact C-CB 3.45Å; D1023-A1028 HydrophobicContact CB-CB 4.23Å; D1023-A1028 WeakPolarHBondContact O-CB 3.31Å; G1025-A1028 CarbonylContact O-C 3.52Å; G1025-A1028 PolarHBondContact O-N 2.99Å; L1026-A1028 VanDerWaalsContact C-N 3.28Å; L1026-A1028 PolarHBondContact O-N 3.15Å; A1028-L1030 PolarHBondContact O-N 2.9Å; A1028-L1030 VanDerWaalsContact O-N 3.12Å
1029E84.3Confident84.8Confident57.6 Ų57.646.5 Ų46.527%0.26928%0.284SS..  trans-80.8112.6173.6-170.4-174.9-160.400109.5G1025 L1026 R1048 D1074 N1075G1025-E1029 WeakPolarHBondContact O-CB 3.19Å; G1025-E1029 PolarHBondContact O-N 3.02Å; G1025-E1029 VanDerWaalsContact O-N 3.11Å; L1026-E1029 WeakPolarHBondContact CD2-OE2 3.35Å; L1026-E1029 PolarHBondContact O-N 3.04Å; L1026-E1029 VanDerWaalsContact O-N 3.14Å; E1029-R1048 IonicContact OE1-CZ 3.33Å; E1029-R1048 IonicContact OE1-NE 3.35Å; E1029-R1048 PolarHBondContact OE1-NE 3.16Å; E1029-R1048 IonicContact OE1-NH1 3.52Å; E1029-R1048 PolarHBondContact OE1-NH1 2.98Å; E1029-R1048 IonicContact OE1-NH2 3.49Å; E1029-R1048 PolarHBondContact OE1-NH2 3.06Å; E1029-R1048 VanDerWaalsContact OE1-NH2 3.07Å; E1029-R1048 IonicContact OE2-CZ 2.94Å; E1029-R1048 IonicContact OE2-NE 3.08Å; E1029-R1048 PolarHBondContact OE2-NE 3.01Å; E1029-R1048 IonicContact OE2-NH1 2.66Å; E1029-R1048 IonicContact OE2-NH2 3.36Å; E1029-R1048 PolarHBondContact OE2-NH2 2.93Å; E1029-D1074 CarbonylContact O-C 3.59Å; E1029-D1074 WeakPolarHBondContact O-CA 3.31Å; E1029-N1075 HydrophobicContact CB-CB 4.31Å; E1029-N1075 VanDerWaalsContact CD-ND2 3.33Å; E1029-N1075 WeakPolarHBondContact CG-ND2 3.4Å; E1029-N1075 VanDerWaalsContact O-CB 3.3Å; E1029-N1075 WeakPolarHBondContact O-CB 3.39Å; E1029-N1075 VanDerWaalsContact O-CG 3.28Å; E1029-N1075 PolarHBondContact O-N 2.93Å; E1029-N1075 VanDerWaalsContact O-N 3.07Å; E1029-N1075 PolarHBondContact O-ND2 3.03Å; E1029-N1075 PolarHBondContact OE2-ND2 3.06Å
1030L87.3Confident84.1Confident17.6 Ų17.650.7 Ų50.79%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-89.2133.1-174.4-61.4-177.1000113.4P993 C1019 D1021 A1028 Y1032 I1073 D1074P993-L1030 HydrophobicContact CB-CD1 4.32Å; P993-L1030 HydrophobicContact CB-CD2 3.66Å; P993-L1030 HydrophobicContact CG-CD2 3.55Å; P993-L1030 VanDerWaalsContact CG-CD2 3.45Å; C1019-L1030 VanDerWaalsContact C-CD1 3.43Å; C1019-L1030 HydrophobicContact CB-CD1 3.89Å; C1019-L1030 VanDerWaalsContact SG-CD1 3.52Å; D1021-L1030 HydrophobicContact CB-CD2 4.19Å; A1028-L1030 PolarHBondContact O-N 2.9Å; A1028-L1030 VanDerWaalsContact O-N 3.12Å; L1030-Y1032 HydrophobicContact CB-CE1 4.33Å; L1030-Y1032 HydrophobicContact CB-CE2 4.03Å; L1030-Y1032 HydrophobicContact CD1-CE1 4.48Å; L1030-Y1032 WeakPolarHBondContact CD1-OH 3.29Å; L1030-I1073 CarbonylContact C-O 3.45Å; L1030-I1073 WeakPolarHBondContact CA-O 3.28Å; L1030-D1074 HydrophobicContact CD2-CB 4.46Å
1031S86.2Confident83.8Confident1.8 Ų1.848.6 Ų48.61%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-109.6119.6175.1-68.20000110.9F1033 Y1047 A1072 I1073 N1075S1031-F1033 VanDerWaalsContact CB-CE2 3.49Å; S1031-F1033 WeakPolarHBondContact O-CD2 3.45Å; S1031-Y1047 CarbonylContact C-O 3.59Å; S1031-Y1047 VanDerWaalsContact CA-O 3.25Å; S1031-Y1047 WeakPolarHBondContact CA-O 3.37Å; S1031-Y1047 VanDerWaalsContact CB-CE2 3.47Å; S1031-Y1047 VanDerWaalsContact CB-CZ 3.46Å; S1031-Y1047 WeakPolarHBondContact OG-CE1 3.42Å; S1031-Y1047 WeakPolarHBondContact OG-CE2 3.17Å; S1031-Y1047 VanDerWaalsContact OG-CZ 3.29Å; S1031-Y1047 PolarHBondContact OG-OH 3.09Å; S1031-A1072 CarbonylContact O-C 3.59Å; S1031-A1072 VanDerWaalsContact O-CA 3.3Å; S1031-A1072 WeakPolarHBondContact O-CA 3.31Å; S1031-I1073 WeakPolarHBondContact CB-O 3.44Å; S1031-I1073 PolarHBondContact N-O 3.26Å; S1031-I1073 PolarHBondContact O-N 3.11Å; S1031-N1075 VanDerWaalsContact OG-CG 3.27Å; S1031-N1075 PolarHBondContact OG-ND2 3.11Å; S1031-N1075 PolarHBondContact OG-OD1 3.07Å
1032Y89.3Confident83.6Confident21.6 Ų21.648.6 Ų48.69%0.08530%0.297CS..EExtended strand (participates in β ladder)trans-98.5134.5-176.7-58.6-82.6000112.9F995 C1019 L1030 V1045 Y1047 A1050 E1071 A1072F995-Y1032 AromaticContact CE1-CD1 3.89Å; F995-Y1032 HydrophobicContact CE1-CD1 4.16Å; F995-Y1032 AromaticContact CE1-CE1 3.68Å; F995-Y1032 HydrophobicContact CE1-CE1 3.95Å; F995-Y1032 AromaticContact CZ-CD1 3.88Å; F995-Y1032 HydrophobicContact CZ-CD1 4.06Å; F995-Y1032 AromaticContact CZ-CE1 3.95Å; F995-Y1032 HydrophobicContact CZ-CE1 4.14Å; C1019-Y1032 HydrophobicContact CB-CE1 3.81Å; C1019-Y1032 WeakPolarHBondContact CB-OH 3.38Å; L1030-Y1032 HydrophobicContact CB-CE1 4.33Å; L1030-Y1032 HydrophobicContact CB-CE2 4.03Å; L1030-Y1032 HydrophobicContact CD1-CE1 4.48Å; L1030-Y1032 WeakPolarHBondContact CD1-OH 3.29Å; Y1032-V1045 VanDerWaalsContact C-CG1 3.44Å; Y1032-V1045 WeakPolarHBondContact O-CG1 3.39Å; Y1032-Y1047 VanDerWaalsContact CD2-O 3.3Å; Y1032-Y1047 WeakPolarHBondContact CD2-O 3.33Å; Y1032-Y1047 PolarHBondContact N-O 2.97Å; Y1032-Y1047 VanDerWaalsContact N-O 3.11Å; Y1032-A1050 HydrophobicContact CD1-CB 4Å; Y1032-A1050 HydrophobicContact CD2-CB 3.86Å; Y1032-A1050 HydrophobicContact CE1-CB 3.81Å; Y1032-A1050 HydrophobicContact CE2-CB 3.67Å; Y1032-A1050 VanDerWaalsContact CE2-CB 3.5Å; Y1032-A1050 HydrophobicContact CG-CB 4.03Å; Y1032-A1050 VanDerWaalsContact CZ-CB 3.45Å; Y1032-E1071 CarbonylContact C-O 3.45Å; Y1032-E1071 VanDerWaalsContact CA-O 3.28Å; Y1032-E1071 WeakPolarHBondContact CA-O 3.31Å; Y1032-A1072 HydrophobicContact CD1-CB 3.85Å; Y1032-A1072 HydrophobicContact CE1-CB 3.76Å
1033F87.1Confident83.8Confident67.4 Ų67.444 Ų4430%0.29627%0.272SS..EExtended strand (participates in β ladder)trans-133.7155.7178.6-58-81.9000111.8L360 Q362 F365 S1031 T1035 Y1047 L1070 E1071 I1073L360-F1033 VanDerWaalsContact O-CZ 3.3Å; L360-F1033 WeakPolarHBondContact O-CZ 3.36Å; Q362-F1033 HydrophobicContact CG-CD2 4.35Å; Q362-F1033 HydrophobicContact CG-CE2 4.49Å; Q362-F1033 HydrophobicContact CG-CG 4.46Å; F365-F1033 AromaticContact CD2-CD1 3.92Å; F365-F1033 HydrophobicContact CD2-CD1 3.92Å; F365-F1033 HydrophobicContact CD2-CE1 4.38Å; F365-F1033 HydrophobicContact CE2-CD1 4.42Å; S1031-F1033 VanDerWaalsContact CB-CE2 3.49Å; S1031-F1033 WeakPolarHBondContact O-CD2 3.45Å; F1033-T1035 HydrophobicContact CB-CG2 4.31Å; F1033-Y1047 HydrophobicContact CE1-CD2 4.31Å; F1033-Y1047 HydrophobicContact CE1-CE2 4.15Å; F1033-Y1047 HydrophobicContact CE2-CE2 4.36Å; F1033-Y1047 HydrophobicContact CZ-CD2 4.26Å; F1033-Y1047 AromaticContact CZ-CE2 3.75Å; F1033-Y1047 HydrophobicContact CZ-CE2 3.75Å; F1033-L1070 CarbonylContact O-C 3.56Å; F1033-L1070 VanDerWaalsContact O-CA 3.23Å; F1033-L1070 WeakPolarHBondContact O-CA 3.3Å; F1033-L1070 VanDerWaalsContact O-CB 3.27Å; F1033-L1070 WeakPolarHBondContact O-CB 3.38Å; F1033-L1070 WeakPolarHBondContact O-CD2 3.3Å; F1033-L1070 WeakPolarHBondContact O-CG 3.3Å; F1033-E1071 PolarHBondContact N-O 2.91Å; F1033-E1071 PolarHBondContact O-N 3.15Å; F1033-E1071 VanDerWaalsContact O-N 3.08Å; F1033-I1073 HydrophobicContact CD2-CD1 3.82Å; F1033-I1073 HydrophobicContact CD2-CG1 4.04Å; F1033-I1073 HydrophobicContact CE2-CB 4.22Å; F1033-I1073 HydrophobicContact CE2-CD1 3.76Å; F1033-I1073 HydrophobicContact CE2-CG1 4.08Å
1034I88.5Confident83.8Confident35 Ų3545.2 Ų45.218%0.17928%0.281CS..EExtended strand (participates in β ladder)trans-102.4115.3163.9-55.1167.4000107.3A1036 N1038 F1043 V1045 L1068 V1069 L1070I1034-A1036 WeakPolarHBondContact CG2-O 3.36Å; I1034-N1038 HydrophobicContact CB-CB 4.43Å; I1034-N1038 HydrophobicContact CG2-CB 3.77Å; I1034-F1043 HydrophobicContact CD1-CB 4.09Å; I1034-V1045 HydrophobicContact CD1-CB 4.34Å; I1034-V1045 HydrophobicContact CD1-CG1 4.45Å; I1034-V1045 HydrophobicContact CG1-CB 4.09Å; I1034-V1045 HydrophobicContact CG1-CG1 3.93Å; I1034-L1068 HydrophobicContact CD1-CD1 4.38Å; I1034-L1068 HydrophobicContact CG2-CB 4.1Å; I1034-L1068 HydrophobicContact CG2-CD2 4.33Å; I1034-V1069 CarbonylContact C-O 3.5Å; I1034-V1069 VanDerWaalsContact CA-O 3.28Å; I1034-V1069 WeakPolarHBondContact CA-O 3.27Å; I1034-V1069 WeakPolarHBondContact CG2-O 3.46Å; I1034-L1070 HydrophobicContact CB-CD2 4.44Å; I1034-L1070 HydrophobicContact CB-CG 4.46Å; I1034-L1070 HydrophobicContact CD1-CD2 4.37Å; I1034-L1070 HydrophobicContact CG1-CD2 3.56Å; I1034-L1070 VanDerWaalsContact CG1-CD2 3.5Å; I1034-L1070 HydrophobicContact CG1-CG 3.94Å; I1034-L1070 HydrophobicContact CG2-CG 4.41Å
1035T83.6Confident84.3Confident69.4 Ų69.442.1 Ų42.143%0.42626%0.263SS..EExtended strand (participates in β ladder)trans-102.6-18.1-172.454.50000114F1033 V1069 E1071F1033-T1035 HydrophobicContact CB-CG2 4.31Å; T1035-V1069 PolarHBondContact N-O 3.11Å; T1035-V1069 PolarHBondContact OG1-O 3.17Å; T1035-E1071 VanDerWaalsContact CB-OE1 3.29Å; T1035-E1071 WeakPolarHBondContact CB-OE1 3.46Å; T1035-E1071 HydrophobicContact CG2-CB 3.84Å; T1035-E1071 VanDerWaalsContact CG2-CD 3.45Å; T1035-E1071 HydrophobicContact CG2-CG 3.93Å; T1035-E1071 WeakPolarHBondContact CG2-OE1 3.49Å; T1035-E1071 WeakPolarHBondContact CG2-OE2 3.32Å; T1035-E1071 WeakPolarHBondContact OG1-CG 3.17Å; T1035-E1071 PolarHBondContact OG1-OE1 3.33Å
1036A84.5Confident84.3Confident48 Ų4840.5 Ų40.540%0.39725%0.246SC..EExtended strand (participates in β ladder)trans-150.2163.3171.200000113.2I1034 N1038 L1068 V1069I1034-A1036 WeakPolarHBondContact CG2-O 3.36Å; A1036-N1038 VanDerWaalsContact C-N 3.33Å; A1036-N1038 PolarHBondContact O-N 3.01Å; A1036-L1068 WeakPolarHBondContact O-CA 3.3Å; A1036-V1069 HydrophobicContact CB-CB 3.94Å; A1036-V1069 HydrophobicContact CB-CG2 3.96Å; A1036-V1069 PolarHBondContact N-O 3.09Å; A1036-V1069 PolarHBondContact O-N 3.17Å; A1036-V1069 VanDerWaalsContact O-N 3.07Å
1037G83.9Confident84.5Confident30.8 Ų30.840.8 Ų40.832%0.31824%0.241SC..SBendtrans79.1-4.9170.900000116.6V1039 T1067G1037-V1039 VanDerWaalsContact C-N 3.29Å; G1037-V1039 PolarHBondContact O-N 3.02Å; G1037-V1039 VanDerWaalsContact O-N 3.12Å; G1037-T1067 VanDerWaalsContact CA-O 3.26Å; G1037-T1067 WeakPolarHBondContact CA-O 3.4Å
1038N86.9Confident84.5Confident36.8 Ų36.847.4 Ų47.420%0.19727%0.265CS..  trans-90.160.2175.9-168.227.7000111.6R414 I1034 A1036 D1040 G1041 K1042 F1043 L1068R414-N1038 PolarHBondContact NH2-O 3.18Å; I1034-N1038 HydrophobicContact CB-CB 4.43Å; I1034-N1038 HydrophobicContact CG2-CB 3.77Å; A1036-N1038 VanDerWaalsContact C-N 3.33Å; A1036-N1038 PolarHBondContact O-N 3.01Å; N1038-D1040 VanDerWaalsContact C-N 3.29Å; N1038-D1040 PolarHBondContact O-N 2.79Å; N1038-G1041 PolarHBondContact O-N 2.87Å; N1038-G1041 VanDerWaalsContact O-N 3.17Å; N1038-G1041 VanDerWaalsContact OD1-CA 3.27Å; N1038-G1041 WeakPolarHBondContact OD1-CA 3.35Å; N1038-K1042 PolarHBondContact OD1-N 2.93Å; N1038-K1042 VanDerWaalsContact OD1-N 3.11Å; N1038-F1043 PolarHBondContact ND2-O 3.08Å; N1038-F1043 WeakPolarHBondContact OD1-CB 3.29Å; N1038-F1043 PolarHBondContact OD1-N 3.03Å; N1038-F1043 PolarHBondContact OD1-O 2.96Å; N1038-L1068 HydrophobicContact CB-CD2 3.97Å
1039V75.3Confident84.7Confident94.4 Ų94.449 Ų4957%0.57227%0.269SS*.G310 helixtrans-60.4120.4-176.4-132.20000111R414 G1037 G1041 K1042 Y1066R414-V1039 PolarHBondContact NH2-O 3.31Å; G1037-V1039 VanDerWaalsContact C-N 3.29Å; G1037-V1039 PolarHBondContact O-N 3.02Å; G1037-V1039 VanDerWaalsContact O-N 3.12Å; V1039-G1041 VanDerWaalsContact C-N 3.35Å; V1039-G1041 PolarHBondContact O-N 2.96Å; V1039-K1042 VanDerWaalsContact O-CG 3.29Å; V1039-K1042 WeakPolarHBondContact O-CG 3.37Å; V1039-K1042 PolarHBondContact O-N 2.93Å; V1039-Y1066 HydrophobicContact CB-CD1 4.17Å; V1039-Y1066 HydrophobicContact CB-CE1 4.1Å; V1039-Y1066 WeakPolarHBondContact O-CE1 3.26Å
1040D73.7Confident84.8Confident101.8 Ų101.846.3 Ų46.354%0.54426%0.257SS..G310 helixtrans10.42.2-180-39-40.2000114.2R412 R414 N1038 K1042R412-D1040 WeakPolarHBondContact CD-O 3.42Å; R412-D1040 IonicContact CZ-OD2 2.69Å; R412-D1040 PolarHBondContact NE-O 3.46Å; R412-D1040 PolarHBondContact NH1-O 3.18Å; R412-D1040 IonicContact NH1-OD2 3.45Å; R412-D1040 IonicContact NH2-OD2 3.8Å; R412-D1040 PolarHBondContact NH2-OD2 2.77Å; R414-D1040 PolarHBondContact NH2-O 3.37Å; N1038-D1040 VanDerWaalsContact C-N 3.29Å; N1038-D1040 PolarHBondContact O-N 2.79Å; D1040-K1042 VanDerWaalsContact C-N 3.28Å; D1040-K1042 HydrophobicContact CB-CD 4.47Å; D1040-K1042 HydrophobicContact CB-CG 4.08Å; D1040-K1042 PolarHBondContact O-N 2.98Å; D1040-K1042 VanDerWaalsContact O-N 3.14Å; D1040-K1042 PolarHBondContact OD1-N 3.08Å; D1040-K1042 WeakPolarHBondContact OD2-CD 3.46Å; D1040-K1042 VanDerWaalsContact OD2-CE 3.27Å; D1040-K1042 WeakPolarHBondContact OD2-CE 3.5Å; D1040-K1042 VanDerWaalsContact OD2-CG 3.23Å; D1040-K1042 WeakPolarHBondContact OD2-CG 3.36Å
1041G80.6Confident85Confident29.8 Ų29.846.1 Ų46.131%0.30726%0.257SS..G310 helixtrans76.326179.300000114.2R412 N1038 V1039 F1043 V1055R412-G1041 PolarHBondContact NE-O 2.89Å; N1038-G1041 PolarHBondContact O-N 2.87Å; N1038-G1041 VanDerWaalsContact O-N 3.17Å; N1038-G1041 VanDerWaalsContact OD1-CA 3.27Å; N1038-G1041 WeakPolarHBondContact OD1-CA 3.35Å; V1039-G1041 VanDerWaalsContact C-N 3.35Å; V1039-G1041 PolarHBondContact O-N 2.96Å; G1041-F1043 VanDerWaalsContact C-N 3.3Å; G1041-F1043 PolarHBondContact O-N 2.99Å; G1041-F1043 VanDerWaalsContact O-N 3.11Å; G1041-V1055 WeakPolarHBondContact O-CB 3.44Å
1042K84.5Confident85.2Confident24.4 Ų24.446 Ų4611%0.10626%0.256CS..  trans-63.3-25.9-177.1-65.8-77-160.21700113.3N1038 V1039 D1040 V1055 V1056 G1057 L1058 Y1066N1038-K1042 PolarHBondContact OD1-N 2.93Å; N1038-K1042 VanDerWaalsContact OD1-N 3.11Å; V1039-K1042 VanDerWaalsContact O-CG 3.29Å; V1039-K1042 WeakPolarHBondContact O-CG 3.37Å; V1039-K1042 PolarHBondContact O-N 2.93Å; D1040-K1042 VanDerWaalsContact C-N 3.28Å; D1040-K1042 HydrophobicContact CB-CD 4.47Å; D1040-K1042 HydrophobicContact CB-CG 4.08Å; D1040-K1042 PolarHBondContact O-N 2.98Å; D1040-K1042 VanDerWaalsContact O-N 3.14Å; D1040-K1042 PolarHBondContact OD1-N 3.08Å; D1040-K1042 WeakPolarHBondContact OD2-CD 3.46Å; D1040-K1042 VanDerWaalsContact OD2-CE 3.27Å; D1040-K1042 WeakPolarHBondContact OD2-CE 3.5Å; D1040-K1042 VanDerWaalsContact OD2-CG 3.23Å; D1040-K1042 WeakPolarHBondContact OD2-CG 3.36Å; K1042-V1055 PolarHBondContact O-N 3.03Å; K1042-V1056 HydrophobicContact CD-CB 4.26Å; K1042-V1056 HydrophobicContact CD-CG1 4.04Å; K1042-V1056 HydrophobicContact CD-CG2 3.63Å; K1042-V1056 HydrophobicContact CG-CG2 4.41Å; K1042-G1057 WeakPolarHBondContact CD-O 3.35Å; K1042-G1057 WeakPolarHBondContact CE-O 3.42Å; K1042-G1057 PolarHBondContact NZ-O 2.98Å; K1042-G1057 VanDerWaalsContact NZ-O 3.09Å; K1042-L1058 HydrophobicContact CB-CD2 3.97Å; K1042-L1058 HydrophobicContact CD-CD2 4.38Å; K1042-L1058 HydrophobicContact CG-CD2 4.16Å; K1042-Y1066 HydrophobicContact CB-CE1 4.13Å; K1042-Y1066 WeakPolarHBondContact CE-OH 3.39Å; K1042-Y1066 HydrophobicContact CG-CE1 4.18Å; K1042-Y1066 WeakPolarHBondContact CG-OH 3.24Å
1043F90.3Very high85.3Confident4.2 Ų4.247 Ų472%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-114.9153.7180-56.7-88.5000112.7V1014 I1034 N1038 G1041 V1052 R1053 T1054 V1055 L1058 Y1066 L1068 V1090V1014-F1043 HydrophobicContact CG1-CE1 4.41Å; V1014-F1043 HydrophobicContact CG2-CD1 4.06Å; V1014-F1043 HydrophobicContact CG2-CE1 3.94Å; I1034-F1043 HydrophobicContact CD1-CB 4.09Å; N1038-F1043 PolarHBondContact ND2-O 3.08Å; N1038-F1043 WeakPolarHBondContact OD1-CB 3.29Å; N1038-F1043 PolarHBondContact OD1-N 3.03Å; N1038-F1043 PolarHBondContact OD1-O 2.96Å; G1041-F1043 VanDerWaalsContact C-N 3.3Å; G1041-F1043 PolarHBondContact O-N 2.99Å; G1041-F1043 VanDerWaalsContact O-N 3.11Å; F1043-V1052 HydrophobicContact CB-CG1 4.26Å; F1043-V1052 HydrophobicContact CD1-CG1 4.21Å; F1043-R1053 CarbonylContact C-O 3.52Å; F1043-R1053 VanDerWaalsContact CA-O 3.26Å; F1043-R1053 WeakPolarHBondContact CA-O 3.38Å; F1043-T1054 HydrophobicContact CD1-CG2 4.44Å; F1043-T1054 HydrophobicContact CE1-CG2 4.24Å; F1043-V1055 VanDerWaalsContact C-CG2 3.43Å; F1043-L1058 HydrophobicContact CE1-CD1 4.31Å; F1043-L1058 HydrophobicContact CE1-CD2 4.17Å; F1043-L1058 HydrophobicContact CE2-CD2 4.09Å; F1043-L1058 HydrophobicContact CZ-CD1 4.22Å; F1043-L1058 HydrophobicContact CZ-CD2 3.65Å; F1043-L1058 HydrophobicContact CZ-CG 4.46Å; F1043-Y1066 HydrophobicContact CD2-CD1 4.31Å; F1043-Y1066 HydrophobicContact CD2-CG 4.34Å; F1043-Y1066 AromaticContact CE2-CD1 3.75Å; F1043-Y1066 HydrophobicContact CE2-CD1 3.82Å; F1043-Y1066 AromaticContact CE2-CD2 3.52Å; F1043-Y1066 HydrophobicContact CE2-CD2 3.52Å; F1043-Y1066 VanDerWaalsContact CE2-CD2 3.48Å; F1043-Y1066 HydrophobicContact CE2-CE1 4.12Å; F1043-Y1066 AromaticContact CE2-CE2 3.85Å; F1043-Y1066 HydrophobicContact CE2-CE2 3.85Å; F1043-Y1066 AromaticContact CE2-CG 3.52Å; F1043-Y1066 HydrophobicContact CE2-CG 3.52Å; F1043-Y1066 VanDerWaalsContact CE2-CG 3.49Å; F1043-Y1066 AromaticContact CZ-CD2 3.85Å; F1043-Y1066 HydrophobicContact CZ-CD2 3.88Å; F1043-Y1066 HydrophobicContact CZ-CE2 4.21Å; F1043-Y1066 HydrophobicContact CZ-CG 4.26Å; F1043-L1068 HydrophobicContact CB-CD1 4.05Å; F1043-L1068 HydrophobicContact CB-CD2 4.35Å; F1043-L1068 HydrophobicContact CD1-CD1 4.21Å; F1043-L1068 HydrophobicContact CD2-CD1 4.07Å; F1043-L1068 HydrophobicContact CD2-CD2 3.93Å; F1043-L1068 HydrophobicContact CD2-CG 4.45Å; F1043-L1068 HydrophobicContact CE2-CD1 4.49Å; F1043-L1068 HydrophobicContact CE2-CD2 4.39Å; F1043-L1068 HydrophobicContact CG-CD1 3.85Å; F1043-L1068 HydrophobicContact CG-CD2 4.35Å; F1043-V1090 HydrophobicContact CE1-CB 4.45Å; F1043-V1090 HydrophobicContact CE1-CG1 4.1Å; F1043-V1090 HydrophobicContact CE1-CG2 4.25Å; F1043-V1090 HydrophobicContact CZ-CB 4.25Å; F1043-V1090 HydrophobicContact CZ-CG1 3.88Å; F1043-V1090 HydrophobicContact CZ-CG2 4.26Å
1044S89.6Confident85.4Confident35 Ų3543.8 Ų43.825%0.24525%0.245CC..EExtended strand (participates in β ladder)trans-126.4157.8165.158.70000109.2V1052 R1053 V1055S1044-V1052 CarbonylContact O-C 3.53Å; S1044-V1052 VanDerWaalsContact O-CA 3.26Å; S1044-V1052 WeakPolarHBondContact O-CA 3.36Å; S1044-R1053 PolarHBondContact N-O 3.03Å; S1044-R1053 PolarHBondContact O-N 2.97Å; S1044-V1055 VanDerWaalsContact CB-CG2 3.46Å; S1044-V1055 VanDerWaalsContact N-CG2 3.33Å; S1044-V1055 WeakPolarHBondContact OG-CG2 3.18Å
1045V90.1Very high85Confident18.6 Ų18.644.1 Ų44.111%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-114.3136.3162.666.50000107.9L1017 Y1032 I1034 Y1047 V1051 V1052 L1070L1017-V1045 HydrophobicContact CD1-CG2 4.38Å; Y1032-V1045 VanDerWaalsContact C-CG1 3.44Å; Y1032-V1045 WeakPolarHBondContact O-CG1 3.39Å; I1034-V1045 HydrophobicContact CD1-CB 4.34Å; I1034-V1045 HydrophobicContact CD1-CG1 4.45Å; I1034-V1045 HydrophobicContact CG1-CB 4.09Å; I1034-V1045 HydrophobicContact CG1-CG1 3.93Å; V1045-Y1047 PolarHBondContact O-N 3.15Å; V1045-Y1047 VanDerWaalsContact O-N 3.11Å; V1045-V1051 WeakPolarHBondContact CA-O 3.35Å; V1045-V1052 HydrophobicContact CB-CG2 4.44Å; V1045-V1052 HydrophobicContact CG2-CG2 4.24Å; V1045-L1070 HydrophobicContact CB-CD2 3.77Å; V1045-L1070 HydrophobicContact CG1-CD2 4.07Å; V1045-L1070 HydrophobicContact CG2-CD2 3.83Å
1046G83.9Confident84.8Confident16.4 Ų16.443.7 Ų43.717%0.16925%0.246CC..  trans-69.9114.1175.300000110.3R1048 D1049 A1050 V1051G1046-R1048 PolarHBondContact O-N 3.07Å; G1046-D1049 VanDerWaalsContact CA-OD1 3.27Å; G1046-D1049 WeakPolarHBondContact CA-OD1 3.28Å; G1046-D1049 PolarHBondContact O-N 2.99Å; G1046-D1049 VanDerWaalsContact O-N 3.12Å; G1046-A1050 PolarHBondContact O-N 3.15Å; G1046-A1050 VanDerWaalsContact O-N 3.11Å; G1046-V1051 PolarHBondContact N-O 2.96Å
1047Y82.8Confident84.5Confident98.2 Ų98.243.3 Ų43.339%0.38525%0.247SC..THydrogen-bonded Turntrans-48.2-29.8-171.3163.6-99.9000115.4T358 S1031 Y1032 F1033 V1045 N1075T358-Y1047 HydrophobicContact CG2-CD2 3.74Å; T358-Y1047 HydrophobicContact CG2-CE2 4Å; T358-Y1047 HydrophobicContact CG2-CG 4.41Å; S1031-Y1047 CarbonylContact C-O 3.59Å; S1031-Y1047 VanDerWaalsContact CA-O 3.25Å; S1031-Y1047 WeakPolarHBondContact CA-O 3.37Å; S1031-Y1047 VanDerWaalsContact CB-CE2 3.47Å; S1031-Y1047 VanDerWaalsContact CB-CZ 3.46Å; S1031-Y1047 WeakPolarHBondContact OG-CE1 3.42Å; S1031-Y1047 WeakPolarHBondContact OG-CE2 3.17Å; S1031-Y1047 VanDerWaalsContact OG-CZ 3.29Å; S1031-Y1047 PolarHBondContact OG-OH 3.09Å; Y1032-Y1047 VanDerWaalsContact CD2-O 3.3Å; Y1032-Y1047 WeakPolarHBondContact CD2-O 3.33Å; Y1032-Y1047 PolarHBondContact N-O 2.97Å; Y1032-Y1047 VanDerWaalsContact N-O 3.11Å; F1033-Y1047 HydrophobicContact CE1-CD2 4.31Å; F1033-Y1047 HydrophobicContact CE1-CE2 4.15Å; F1033-Y1047 HydrophobicContact CE2-CE2 4.36Å; F1033-Y1047 HydrophobicContact CZ-CD2 4.26Å; F1033-Y1047 AromaticContact CZ-CE2 3.75Å; F1033-Y1047 HydrophobicContact CZ-CE2 3.75Å; V1045-Y1047 PolarHBondContact O-N 3.15Å; V1045-Y1047 VanDerWaalsContact O-N 3.11Å; Y1047-N1075 PolarHBondContact OH-OD1 3.34Å
1048R81.3Confident84.6Confident158 Ų15842.4 Ų42.460%0.59624%0.235SC*.THydrogen-bonded Turntrans-117.4-12.2175.5-72.5-175.5176.9167.1-3.1115.6E453 E1029 G1046E453-R1048 IonicContact OE1-CZ 2.73Å; E453-R1048 IonicContact OE1-NH2 3.98Å; E453-R1048 PolarHBondContact OE1-NH2 2.87Å; E453-R1048 IonicContact OE2-CZ 2.7Å; E453-R1048 IonicContact OE2-NH2 3.03Å; E453-R1048 PolarHBondContact OE2-NH2 2.93Å; E1029-R1048 IonicContact OE1-CZ 3.33Å; E1029-R1048 IonicContact OE1-NE 3.35Å; E1029-R1048 PolarHBondContact OE1-NE 3.16Å; E1029-R1048 IonicContact OE1-NH1 3.52Å; E1029-R1048 PolarHBondContact OE1-NH1 2.98Å; E1029-R1048 IonicContact OE1-NH2 3.49Å; E1029-R1048 PolarHBondContact OE1-NH2 3.06Å; E1029-R1048 VanDerWaalsContact OE1-NH2 3.07Å; E1029-R1048 IonicContact OE2-CZ 2.94Å; E1029-R1048 IonicContact OE2-NE 3.08Å; E1029-R1048 PolarHBondContact OE2-NE 3.01Å; E1029-R1048 IonicContact OE2-NH1 2.66Å; E1029-R1048 IonicContact OE2-NH2 3.36Å; E1029-R1048 PolarHBondContact OE2-NH2 2.93Å; G1046-R1048 PolarHBondContact O-N 3.07Å
1049D84.7Confident84.5Confident62.2 Ų62.243.2 Ų43.233%0.33324%0.239SC..THydrogen-bonded Turntrans-106.2-7.1-174.881.7-1.3000114.4W1016 G1046 V1051 R1053W1016-D1049 VanDerWaalsContact CD1-O 3.26Å; W1016-D1049 PolarHBondContact NE1-O 3.24Å; W1016-D1049 VanDerWaalsContact NE1-O 3.12Å; G1046-D1049 VanDerWaalsContact CA-OD1 3.27Å; G1046-D1049 WeakPolarHBondContact CA-OD1 3.28Å; G1046-D1049 PolarHBondContact O-N 2.99Å; G1046-D1049 VanDerWaalsContact O-N 3.12Å; D1049-V1051 HydrophobicContact CB-CG2 4.36Å; D1049-V1051 PolarHBondContact O-N 2.8Å; D1049-V1051 VanDerWaalsContact O-N 3.12Å; D1049-V1051 WeakPolarHBondContact OD1-CB 3.38Å; D1049-V1051 PolarHBondContact OD1-N 2.94Å; D1049-R1053 IonicContact OD1-CZ 3.56Å; D1049-R1053 IonicContact OD1-NH1 2.87Å; D1049-R1053 PolarHBondContact OD1-NH1 2.83Å; D1049-R1053 IonicContact OD1-NH2 2.91Å; D1049-R1053 IonicContact OD2-CZ 3.69Å; D1049-R1053 IonicContact OD2-NH1 3.09Å; D1049-R1053 PolarHBondContact OD2-NH1 3.09Å; D1049-R1053 VanDerWaalsContact OD2-NH1 3.12Å; D1049-R1053 IonicContact OD2-NH2 3.6Å; D1049-R1053 PolarHBondContact OD2-NH2 3.08Å
1050A87Confident85.1Confident1.8 Ų1.840.5 Ų40.52%0.01522%0.218CC..  trans57.517.4179.500000114.7W1016 L1017 Y1032 G1046W1016-A1050 WeakPolarHBondContact CA-O 3.39Å; L1017-A1050 HydrophobicContact CB-CB 4.07Å; L1017-A1050 WeakPolarHBondContact CB-O 3.37Å; L1017-A1050 WeakPolarHBondContact CG-O 3.29Å; L1017-A1050 PolarHBondContact N-O 2.89Å; L1017-A1050 VanDerWaalsContact O-CB 3.25Å; L1017-A1050 WeakPolarHBondContact O-CB 3.38Å; Y1032-A1050 HydrophobicContact CD1-CB 4Å; Y1032-A1050 HydrophobicContact CD2-CB 3.86Å; Y1032-A1050 HydrophobicContact CE1-CB 3.81Å; Y1032-A1050 HydrophobicContact CE2-CB 3.67Å; Y1032-A1050 VanDerWaalsContact CE2-CB 3.5Å; Y1032-A1050 HydrophobicContact CG-CB 4.03Å; Y1032-A1050 VanDerWaalsContact CZ-CB 3.45Å; G1046-A1050 PolarHBondContact O-N 3.15Å; G1046-A1050 VanDerWaalsContact O-N 3.11Å
1051V91.1Very high85.6Confident12.6 Ų12.638.4 Ų38.48%0.07621%0.206CC..EExtended strand (participates in β ladder)trans-90119176.5-179.70000109.5R1013 V1015 W1016 V1045 G1046 D1049 R1053R1013-V1051 HydrophobicContact CB-CG1 3.98Å; R1013-V1051 HydrophobicContact CG-CG1 3.9Å; V1015-V1051 CarbonylContact O-C 3.54Å; V1015-V1051 VanDerWaalsContact O-CA 3.3Å; V1015-V1051 WeakPolarHBondContact O-CA 3.38Å; W1016-V1051 HydrophobicContact CB-CG2 4.29Å; W1016-V1051 HydrophobicContact CG-CG2 4.27Å; V1045-V1051 WeakPolarHBondContact CA-O 3.35Å; G1046-V1051 PolarHBondContact N-O 2.96Å; D1049-V1051 HydrophobicContact CB-CG2 4.36Å; D1049-V1051 PolarHBondContact O-N 2.8Å; D1049-V1051 VanDerWaalsContact O-N 3.12Å; D1049-V1051 WeakPolarHBondContact OD1-CB 3.38Å; D1049-V1051 PolarHBondContact OD1-N 2.94Å; V1051-R1053 HydrophobicContact CG1-CG 4.05Å; V1051-R1053 PolarHBondContact O-NH1 3.23Å; V1051-R1053 VanDerWaalsContact O-NH1 3.08Å
1052V91.1Very high85.7Confident0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-75.9132.7169.5-175.70000109.2V1014 V1015 L1017 F1043 S1044 V1045 L1068 L1070 V1088V1014-V1052 HydrophobicContact CB-CB 4.28Å; V1014-V1052 HydrophobicContact CB-CG1 4.14Å; V1014-V1052 WeakPolarHBondContact CB-O 3.39Å; V1014-V1052 HydrophobicContact CG1-CG1 4.41Å; V1014-V1052 HydrophobicContact CG2-CG1 4.47Å; V1014-V1052 PolarHBondContact N-O 3.01Å; V1015-V1052 HydrophobicContact CG1-CB 3.87Å; V1015-V1052 HydrophobicContact CG1-CG2 3.72Å; V1015-V1052 PolarHBondContact N-O 3.32Å; V1015-V1052 PolarHBondContact O-N 3.06Å; L1017-V1052 HydrophobicContact CD1-CG2 4.27Å; L1017-V1052 HydrophobicContact CG-CG2 4.34Å; F1043-V1052 HydrophobicContact CB-CG1 4.26Å; F1043-V1052 HydrophobicContact CD1-CG1 4.21Å; S1044-V1052 CarbonylContact O-C 3.53Å; S1044-V1052 VanDerWaalsContact O-CA 3.26Å; S1044-V1052 WeakPolarHBondContact O-CA 3.36Å; V1045-V1052 HydrophobicContact CB-CG2 4.44Å; V1045-V1052 HydrophobicContact CG2-CG2 4.24Å; V1052-L1068 HydrophobicContact CG1-CD1 4.05Å; V1052-L1070 HydrophobicContact CG2-CD1 4.47Å; V1052-L1070 HydrophobicContact CG2-CD2 3.91Å; V1052-V1088 HydrophobicContact CG2-CG2 4.46Å
1053R91.1Very high85.6Confident41.6 Ų41.641.9 Ų41.916%0.15722%0.223CC..EExtended strand (participates in β ladder)trans-133.1156.6-177.1-61.2175.9179.594.3-3.6112.1E1011 F1012 F1043 S1044 D1049 V1051E1011-R1053 WeakPolarHBondContact OE2-CD 3.43Å; E1011-R1053 IonicContact OE2-CZ 3.4Å; E1011-R1053 IonicContact OE2-NE 3.38Å; E1011-R1053 IonicContact OE2-NH1 3.22Å; E1011-R1053 PolarHBondContact OE2-NH1 3.29Å; F1012-R1053 CarbonylContact O-C 3.54Å; F1012-R1053 VanDerWaalsContact O-CA 3.26Å; F1012-R1053 WeakPolarHBondContact O-CA 3.34Å; F1043-R1053 CarbonylContact C-O 3.52Å; F1043-R1053 VanDerWaalsContact CA-O 3.26Å; F1043-R1053 WeakPolarHBondContact CA-O 3.38Å; S1044-R1053 PolarHBondContact N-O 3.03Å; S1044-R1053 PolarHBondContact O-N 2.97Å; D1049-R1053 IonicContact OD1-CZ 3.56Å; D1049-R1053 IonicContact OD1-NH1 2.87Å; D1049-R1053 PolarHBondContact OD1-NH1 2.83Å; D1049-R1053 IonicContact OD1-NH2 2.91Å; D1049-R1053 IonicContact OD2-CZ 3.69Å; D1049-R1053 IonicContact OD2-NH1 3.09Å; D1049-R1053 PolarHBondContact OD2-NH1 3.09Å; D1049-R1053 VanDerWaalsContact OD2-NH1 3.12Å; D1049-R1053 IonicContact OD2-NH2 3.6Å; D1049-R1053 PolarHBondContact OD2-NH2 3.08Å; V1051-R1053 HydrophobicContact CG1-CG 4.05Å; V1051-R1053 PolarHBondContact O-NH1 3.23Å; V1051-R1053 VanDerWaalsContact O-NH1 3.08Å
1054T88.4Confident85.3Confident0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-76.5134165.553.40000111V1004 V1008 P1009 E1011 F1012 V1014 F1043 L1058V1004-T1054 HydrophobicContact CG1-CG2 4.45Å; V1008-T1054 HydrophobicContact CG2-CG2 3.86Å; P1009-T1054 PolarHBondContact O-OG1 3.06Å; P1009-T1054 VanDerWaalsContact O-OG1 3.07Å; E1011-T1054 WeakPolarHBondContact CA-O 3.43Å; E1011-T1054 PolarHBondContact N-O 2.91Å; E1011-T1054 PolarHBondContact N-OG1 3.33Å; F1012-T1054 HydrophobicContact CB-CG2 4.41Å; F1012-T1054 WeakPolarHBondContact CB-OG1 3.34Å; F1012-T1054 PolarHBondContact N-OG1 3.06Å; F1012-T1054 VanDerWaalsContact N-OG1 3.13Å; F1012-T1054 PolarHBondContact O-N 2.96Å; F1012-T1054 VanDerWaalsContact O-N 3.1Å; V1014-T1054 HydrophobicContact CG2-CG2 4.12Å; F1043-T1054 HydrophobicContact CD1-CG2 4.44Å; F1043-T1054 HydrophobicContact CE1-CG2 4.24Å; T1054-L1058 HydrophobicContact CG2-CD1 4.08Å; T1054-L1058 HydrophobicContact CG2-CD2 4.42Å; T1054-L1058 HydrophobicContact CG2-CG 4.15Å
1055V81.2Confident85.3Confident42.4 Ų42.444.9 Ų44.926%0.25725%0.251SS..SBendtrans-97.3-35178179.50000111.2R1010 G1041 K1042 F1043 S1044R1010-V1055 VanDerWaalsContact CD-O 3.24Å; R1010-V1055 WeakPolarHBondContact CD-O 3.27Å; R1010-V1055 VanDerWaalsContact CG-O 3.28Å; R1010-V1055 WeakPolarHBondContact CG-O 3.32Å; R1010-V1055 PolarHBondContact NE-O 2.97Å; G1041-V1055 WeakPolarHBondContact O-CB 3.44Å; K1042-V1055 PolarHBondContact O-N 3.03Å; F1043-V1055 VanDerWaalsContact C-CG2 3.43Å; S1044-V1055 VanDerWaalsContact CB-CG2 3.46Å; S1044-V1055 VanDerWaalsContact N-CG2 3.33Å; S1044-V1055 WeakPolarHBondContact OG-CG2 3.18Å
1056V78.6Confident85.3Confident60 Ų6044.4 Ų44.436%0.36425%0.247SC..SBendtrans-133.2166.2179.6-173.60000107.8F370 D410 K1042 L1058F370-V1056 HydrophobicContact CD2-CG2 4.42Å; D410-V1056 WeakPolarHBondContact OD2-CG1 3.42Å; K1042-V1056 HydrophobicContact CD-CB 4.26Å; K1042-V1056 HydrophobicContact CD-CG1 4.04Å; K1042-V1056 HydrophobicContact CD-CG2 3.63Å; K1042-V1056 HydrophobicContact CG-CG2 4.41Å; V1056-L1058 PolarHBondContact O-N 2.84Å
1057G78.2Confident85.6Confident39.6 Ų39.646.9 Ų46.941%0.40826%0.259SS..  trans-53.2136.7168.300000111.1K1042K1042-G1057 WeakPolarHBondContact CD-O 3.35Å; K1042-G1057 WeakPolarHBondContact CE-O 3.42Å; K1042-G1057 PolarHBondContact NZ-O 2.98Å; K1042-G1057 VanDerWaalsContact NZ-O 3.09Å
1058L86.3Confident86Confident12 Ų1242.3 Ų42.36%0.06324%0.241CC..  trans-76162.1165.8-60178.2000108.3V1004 E1006 V1008 K1042 F1043 T1054 V1056 Y1066 V1092V1004-L1058 HydrophobicContact CB-CD1 4.26Å; V1004-L1058 HydrophobicContact CG1-CD1 3.84Å; E1006-L1058 HydrophobicContact CB-CB 4.07Å; V1008-L1058 HydrophobicContact CG2-CD1 4.25Å; K1042-L1058 HydrophobicContact CB-CD2 3.97Å; K1042-L1058 HydrophobicContact CD-CD2 4.38Å; K1042-L1058 HydrophobicContact CG-CD2 4.16Å; F1043-L1058 HydrophobicContact CE1-CD1 4.31Å; F1043-L1058 HydrophobicContact CE1-CD2 4.17Å; F1043-L1058 HydrophobicContact CE2-CD2 4.09Å; F1043-L1058 HydrophobicContact CZ-CD1 4.22Å; F1043-L1058 HydrophobicContact CZ-CD2 3.65Å; F1043-L1058 HydrophobicContact CZ-CG 4.46Å; T1054-L1058 HydrophobicContact CG2-CD1 4.08Å; T1054-L1058 HydrophobicContact CG2-CD2 4.42Å; T1054-L1058 HydrophobicContact CG2-CG 4.15Å; V1056-L1058 PolarHBondContact O-N 2.84Å; L1058-Y1066 HydrophobicContact CD2-CE2 4.26Å; L1058-V1092 HydrophobicContact CB-CG1 4.25Å; L1058-V1092 HydrophobicContact CD1-CG1 4.42Å; L1058-V1092 HydrophobicContact CD1-CG2 4.36Å
1059D84.9Confident86.4Confident55.2 Ų55.236.8 Ų36.830%0.29523%0.225SC..  trans-156.1111.8-175.5165.1-24.8000104.4E1006 E1061 T1062 T1063E1006-D1059 WeakPolarHBondContact OE2-CA 3.41Å; D1059-E1061 PolarHBondContact OD1-N 3.15Å; D1059-T1062 WeakPolarHBondContact CB-OG1 3.36Å; D1059-T1062 VanDerWaalsContact CG-CB 3.43Å; D1059-T1062 VanDerWaalsContact CG-OG1 3.24Å; D1059-T1062 PolarHBondContact O-OG1 3.35Å; D1059-T1062 VanDerWaalsContact O-OG1 3.1Å; D1059-T1062 VanDerWaalsContact OD1-CB 3.24Å; D1059-T1062 WeakPolarHBondContact OD1-CB 3.28Å; D1059-T1062 VanDerWaalsContact OD1-CG2 3.24Å; D1059-T1062 WeakPolarHBondContact OD1-CG2 3.42Å; D1059-T1062 PolarHBondContact OD1-N 3.18Å; D1059-T1062 PolarHBondContact OD1-OG1 2.87Å; D1059-T1062 VanDerWaalsContact OD1-OG1 3.11Å; D1059-T1062 WeakPolarHBondContact OD2-CB 3.35Å; D1059-T1062 PolarHBondContact OD2-OG1 3.16Å; D1059-T1063 PolarHBondContact O-N 3.1Å; D1059-T1063 VanDerWaalsContact O-N 3.12Å
1060R87.2Confident86.7Confident35.8 Ų35.833.9 Ų33.914%0.13521%0.21CC..Hα-helixtrans-78.6-37-171.5-176.3-158.180.2106.25.7110.8E1006 T1062 T1063 A1064 V1092 D1094 A1129 D1130 E1131E1006-R1060 VanDerWaalsContact OE1-CB 3.24Å; E1006-R1060 WeakPolarHBondContact OE1-CB 3.25Å; E1006-R1060 WeakPolarHBondContact OE2-CB 3.22Å; E1006-R1060 PolarHBondContact OE2-N 2.95Å; R1060-T1062 VanDerWaalsContact C-N 3.3Å; R1060-T1062 PolarHBondContact O-N 2.99Å; R1060-T1063 CarbonylContact O-C 3.46Å; R1060-T1063 VanDerWaalsContact O-C 3.3Å; R1060-T1063 PolarHBondContact O-N 3.07Å; R1060-A1064 HydrophobicContact CG-CB 3.9Å; R1060-A1064 PolarHBondContact NH1-O 2.95Å; R1060-A1064 WeakPolarHBondContact O-CA 3.38Å; R1060-A1064 PolarHBondContact O-N 2.89Å; R1060-A1064 VanDerWaalsContact O-N 3.08Å; R1060-V1092 HydrophobicContact CB-CB 4.27Å; R1060-V1092 HydrophobicContact CB-CG1 3.95Å; R1060-V1092 HydrophobicContact CG-CB 4.16Å; R1060-V1092 HydrophobicContact CG-CG1 4.16Å; R1060-V1092 PolarHBondContact NH1-O 3.22Å; R1060-D1094 VanDerWaalsContact CD-OD1 3.29Å; R1060-D1094 WeakPolarHBondContact CD-OD1 3.35Å; R1060-D1094 HydrophobicContact CG-CB 4.03Å; R1060-D1094 IonicContact CZ-OD1 2.97Å; R1060-D1094 VanDerWaalsContact CZ-OD1 3.26Å; R1060-D1094 IonicContact NE-OD1 2.96Å; R1060-D1094 PolarHBondContact NE-OD1 3.03Å; R1060-D1094 IonicContact NH2-OD1 2.67Å; R1060-D1094 PolarHBondContact NH2-OD1 3.08Å; R1060-A1129 PolarHBondContact NH2-O 2.99Å; R1060-D1130 VanDerWaalsContact NH2-C 3.26Å; R1060-E1131 WeakPolarHBondContact CD-OE2 3.46Å; R1060-E1131 IonicContact CZ-OE2 3.53Å; R1060-E1131 IonicContact NE-OE2 2.79Å; R1060-E1131 VanDerWaalsContact NH1-CD 3.34Å; R1060-E1131 VanDerWaalsContact NH1-CG 3.3Å; R1060-E1131 IonicContact NH1-OE2 3.29Å; R1060-E1131 PolarHBondContact NH1-OE2 3.14Å; R1060-E1131 IonicContact NH2-OE2 3.89Å; R1060-E1131 PolarHBondContact NH2-OE2 2.81Å
1061E84.7Confident86.8Confident59.4 Ų59.436.1 Ų36.128%0.27822%0.22SC..Hα-helixtrans-60.7-37.1177.6-72.955-115.700111D1059 N1098 A1129 D1130D1059-E1061 PolarHBondContact OD1-N 3.15Å; E1061-N1098 PolarHBondContact OE2-ND2 2.85Å; E1061-A1129 HydrophobicContact CB-CB 4.13Å; E1061-A1129 HydrophobicContact CG-CB 3.76Å; E1061-A1129 VanDerWaalsContact CG-CB 3.48Å; E1061-D1130 WeakPolarHBondContact OE1-CA 3.29Å
1062T81.9Confident86.8Confident88.2 Ų88.235.5 Ų35.554%0.54122%0.216SC..Hα-helixtrans-79.9-45.2171.8-23.70000112.4D1059 R1060D1059-T1062 WeakPolarHBondContact CB-OG1 3.36Å; D1059-T1062 VanDerWaalsContact CG-CB 3.43Å; D1059-T1062 VanDerWaalsContact CG-OG1 3.24Å; D1059-T1062 PolarHBondContact O-OG1 3.35Å; D1059-T1062 VanDerWaalsContact O-OG1 3.1Å; D1059-T1062 VanDerWaalsContact OD1-CB 3.24Å; D1059-T1062 WeakPolarHBondContact OD1-CB 3.28Å; D1059-T1062 VanDerWaalsContact OD1-CG2 3.24Å; D1059-T1062 WeakPolarHBondContact OD1-CG2 3.42Å; D1059-T1062 PolarHBondContact OD1-N 3.18Å; D1059-T1062 PolarHBondContact OD1-OG1 2.87Å; D1059-T1062 VanDerWaalsContact OD1-OG1 3.11Å; D1059-T1062 WeakPolarHBondContact OD2-CB 3.35Å; D1059-T1062 PolarHBondContact OD2-OG1 3.16Å; R1060-T1062 VanDerWaalsContact C-N 3.3Å; R1060-T1062 PolarHBondContact O-N 2.99Å
1063T82.9Confident86.6Confident39 Ų3936.9 Ų36.924%0.23922%0.223CC..Hα-helixtrans-153.795.2-179.2-51.80000114D1059 R1060 A1065 Y1066 V1092D1059-T1063 PolarHBondContact O-N 3.1Å; D1059-T1063 VanDerWaalsContact O-N 3.12Å; R1060-T1063 CarbonylContact O-C 3.46Å; R1060-T1063 VanDerWaalsContact O-C 3.3Å; R1060-T1063 PolarHBondContact O-N 3.07Å; T1063-A1065 VanDerWaalsContact C-N 3.29Å; T1063-A1065 WeakPolarHBondContact CG2-O 3.16Å; T1063-A1065 PolarHBondContact O-N 2.85Å; T1063-Y1066 VanDerWaalsContact CB-OH 3.23Å; T1063-Y1066 WeakPolarHBondContact CB-OH 3.41Å; T1063-Y1066 HydrophobicContact CG2-CD1 4.16Å; T1063-Y1066 HydrophobicContact CG2-CD2 4.25Å; T1063-Y1066 HydrophobicContact CG2-CE1 3.8Å; T1063-Y1066 HydrophobicContact CG2-CE2 3.83Å; T1063-Y1066 HydrophobicContact CG2-CG 4.4Å; T1063-Y1066 VanDerWaalsContact CG2-CZ 3.46Å; T1063-Y1066 WeakPolarHBondContact O-CE2 3.32Å; T1063-Y1066 PolarHBondContact OG1-OH 3.15Å; T1063-V1092 WeakPolarHBondContact O-CG2 3.41Å
1064A84.9Confident86.3Confident41.6 Ų41.634.9 Ų34.934%0.34422%0.216SC..SBendtrans-67.6-16.4-17800000116.7R1060 V1092R1060-A1064 HydrophobicContact CG-CB 3.9Å; R1060-A1064 PolarHBondContact NH1-O 2.95Å; R1060-A1064 WeakPolarHBondContact O-CA 3.38Å; R1060-A1064 PolarHBondContact O-N 2.89Å; R1060-A1064 VanDerWaalsContact O-N 3.08Å; A1064-V1092 WeakPolarHBondContact O-CB 3.36Å; A1064-V1092 PolarHBondContact O-N 2.85Å; A1064-V1092 VanDerWaalsContact O-N 3.12Å
1065A88.8Confident86Confident61 Ų6135.8 Ų35.850%0.50422%0.22SC..EExtended strand (participates in β ladder)trans-156.8146.2179.900000113.9T1063 V1090T1063-A1065 VanDerWaalsContact C-N 3.29Å; T1063-A1065 WeakPolarHBondContact CG2-O 3.16Å; T1063-A1065 PolarHBondContact O-N 2.85Å; A1065-V1090 CarbonylContact C-O 3.36Å; A1065-V1090 VanDerWaalsContact CA-O 3.28Å; A1065-V1090 WeakPolarHBondContact CA-O 3.34Å
1066Y89.9Confident85.8Confident7.6 Ų7.633.9 Ų33.93%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-125.8144.4178.7-57.5-99000111.2V1039 K1042 F1043 L1058 T1063 F1089 V1090 V1092V1039-Y1066 HydrophobicContact CB-CD1 4.17Å; V1039-Y1066 HydrophobicContact CB-CE1 4.1Å; V1039-Y1066 WeakPolarHBondContact O-CE1 3.26Å; K1042-Y1066 HydrophobicContact CB-CE1 4.13Å; K1042-Y1066 WeakPolarHBondContact CE-OH 3.39Å; K1042-Y1066 HydrophobicContact CG-CE1 4.18Å; K1042-Y1066 WeakPolarHBondContact CG-OH 3.24Å; F1043-Y1066 HydrophobicContact CD2-CD1 4.31Å; F1043-Y1066 HydrophobicContact CD2-CG 4.34Å; F1043-Y1066 AromaticContact CE2-CD1 3.75Å; F1043-Y1066 HydrophobicContact CE2-CD1 3.82Å; F1043-Y1066 AromaticContact CE2-CD2 3.52Å; F1043-Y1066 HydrophobicContact CE2-CD2 3.52Å; F1043-Y1066 VanDerWaalsContact CE2-CD2 3.48Å; F1043-Y1066 HydrophobicContact CE2-CE1 4.12Å; F1043-Y1066 AromaticContact CE2-CE2 3.85Å; F1043-Y1066 HydrophobicContact CE2-CE2 3.85Å; F1043-Y1066 AromaticContact CE2-CG 3.52Å; F1043-Y1066 HydrophobicContact CE2-CG 3.52Å; F1043-Y1066 VanDerWaalsContact CE2-CG 3.49Å; F1043-Y1066 AromaticContact CZ-CD2 3.85Å; F1043-Y1066 HydrophobicContact CZ-CD2 3.88Å; F1043-Y1066 HydrophobicContact CZ-CE2 4.21Å; F1043-Y1066 HydrophobicContact CZ-CG 4.26Å; L1058-Y1066 HydrophobicContact CD2-CE2 4.26Å; T1063-Y1066 VanDerWaalsContact CB-OH 3.23Å; T1063-Y1066 WeakPolarHBondContact CB-OH 3.41Å; T1063-Y1066 HydrophobicContact CG2-CD1 4.16Å; T1063-Y1066 HydrophobicContact CG2-CD2 4.25Å; T1063-Y1066 HydrophobicContact CG2-CE1 3.8Å; T1063-Y1066 HydrophobicContact CG2-CE2 3.83Å; T1063-Y1066 HydrophobicContact CG2-CG 4.4Å; T1063-Y1066 VanDerWaalsContact CG2-CZ 3.46Å; T1063-Y1066 WeakPolarHBondContact O-CE2 3.32Å; T1063-Y1066 PolarHBondContact OG1-OH 3.15Å; Y1066-F1089 WeakPolarHBondContact O-CA 3.49Å; Y1066-V1090 PolarHBondContact N-O 3.21Å; Y1066-V1090 PolarHBondContact O-N 3.09Å; Y1066-V1092 HydrophobicContact CD2-CG2 4.06Å; Y1066-V1092 HydrophobicContact CE2-CG2 3.72Å
1067T90.7Very high85.5Confident69.6 Ų69.634.3 Ų34.343%0.42721%0.213SC..EExtended strand (participates in β ladder)trans-121.185.5174.9-46.20000109G1037 V1069 T1087 V1088 F1089G1037-T1067 VanDerWaalsContact CA-O 3.26Å; G1037-T1067 WeakPolarHBondContact CA-O 3.4Å; T1067-V1069 PolarHBondContact O-N 2.86Å; T1067-T1087 HydrophobicContact CG2-CG2 3.82Å; T1067-V1088 CarbonylContact C-O 3.44Å; T1067-F1089 HydrophobicContact CG2-CD1 3.78Å; T1067-F1089 HydrophobicContact CG2-CE1 3.46Å; T1067-F1089 VanDerWaalsContact CG2-CE1 3.4Å; T1067-F1089 HydrophobicContact CG2-CG 4.36Å; T1067-F1089 HydrophobicContact CG2-CZ 3.95Å; T1067-F1089 VanDerWaalsContact OG1-CD1 3.29Å; T1067-F1089 WeakPolarHBondContact OG1-CD1 3.24Å
1068L91.4Very high85Confident0 Ų038.6 Ų38.60%023%0.231CC..EExtended strand (participates in β ladder)trans-79.1126.4-174.5-49.5176.6000109.8I1034 A1036 N1038 F1043 V1052 L1070 T1087 V1088 V1090I1034-L1068 HydrophobicContact CD1-CD1 4.38Å; I1034-L1068 HydrophobicContact CG2-CB 4.1Å; I1034-L1068 HydrophobicContact CG2-CD2 4.33Å; A1036-L1068 WeakPolarHBondContact O-CA 3.3Å; N1038-L1068 HydrophobicContact CB-CD2 3.97Å; F1043-L1068 HydrophobicContact CB-CD1 4.05Å; F1043-L1068 HydrophobicContact CB-CD2 4.35Å; F1043-L1068 HydrophobicContact CD1-CD1 4.21Å; F1043-L1068 HydrophobicContact CD2-CD1 4.07Å; F1043-L1068 HydrophobicContact CD2-CD2 3.93Å; F1043-L1068 HydrophobicContact CD2-CG 4.45Å; F1043-L1068 HydrophobicContact CE2-CD1 4.49Å; F1043-L1068 HydrophobicContact CE2-CD2 4.39Å; F1043-L1068 HydrophobicContact CG-CD1 3.85Å; F1043-L1068 HydrophobicContact CG-CD2 4.35Å; V1052-L1068 HydrophobicContact CG1-CD1 4.05Å; L1068-L1070 HydrophobicContact CB-CD1 4.03Å; L1068-T1087 CarbonylContact O-C 3.47Å; L1068-T1087 WeakPolarHBondContact O-CA 3.31Å; L1068-T1087 WeakPolarHBondContact O-CG2 3.48Å; L1068-V1088 HydrophobicContact CB-CB 4.27Å; L1068-V1088 WeakPolarHBondContact CB-O 3.27Å; L1068-V1088 PolarHBondContact N-O 2.94Å; L1068-V1088 PolarHBondContact O-N 3.09Å; L1068-V1090 HydrophobicContact CD1-CG2 3.96Å; L1068-V1090 HydrophobicContact CG-CG2 4.32Å
1069V89.9Confident84.3Confident44 Ų4441.9 Ų41.927%0.26727%0.268SS..EExtended strand (participates in β ladder)trans-99.4128.1167-176.60000107.6I1034 T1035 A1036 T1067 T1087I1034-V1069 CarbonylContact C-O 3.5Å; I1034-V1069 VanDerWaalsContact CA-O 3.28Å; I1034-V1069 WeakPolarHBondContact CA-O 3.27Å; I1034-V1069 WeakPolarHBondContact CG2-O 3.46Å; T1035-V1069 PolarHBondContact N-O 3.11Å; T1035-V1069 PolarHBondContact OG1-O 3.17Å; A1036-V1069 HydrophobicContact CB-CB 3.94Å; A1036-V1069 HydrophobicContact CB-CG2 3.96Å; A1036-V1069 PolarHBondContact N-O 3.09Å; A1036-V1069 PolarHBondContact O-N 3.17Å; A1036-V1069 VanDerWaalsContact O-N 3.07Å; T1067-V1069 PolarHBondContact O-N 2.86Å; V1069-T1087 HydrophobicContact CG2-CG2 4.39Å
1070L90.8Very high83.7Confident1.2 Ų1.245.2 Ų45.21%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-118.3147.1179.2-63.9103.1000111.3L1017 F1033 I1034 V1045 V1052 L1068 T1085 A1086 V1088L1017-L1070 HydrophobicContact CD1-CB 4.18Å; L1017-L1070 HydrophobicContact CD1-CD1 4.26Å; L1017-L1070 HydrophobicContact CD1-CD2 3.77Å; L1017-L1070 HydrophobicContact CD1-CG 4.29Å; F1033-L1070 CarbonylContact O-C 3.56Å; F1033-L1070 VanDerWaalsContact O-CA 3.23Å; F1033-L1070 WeakPolarHBondContact O-CA 3.3Å; F1033-L1070 VanDerWaalsContact O-CB 3.27Å; F1033-L1070 WeakPolarHBondContact O-CB 3.38Å; F1033-L1070 WeakPolarHBondContact O-CD2 3.3Å; F1033-L1070 WeakPolarHBondContact O-CG 3.3Å; I1034-L1070 HydrophobicContact CB-CD2 4.44Å; I1034-L1070 HydrophobicContact CB-CG 4.46Å; I1034-L1070 HydrophobicContact CD1-CD2 4.37Å; I1034-L1070 HydrophobicContact CG1-CD2 3.56Å; I1034-L1070 VanDerWaalsContact CG1-CD2 3.5Å; I1034-L1070 HydrophobicContact CG1-CG 3.94Å; I1034-L1070 HydrophobicContact CG2-CG 4.41Å; V1045-L1070 HydrophobicContact CB-CD2 3.77Å; V1045-L1070 HydrophobicContact CG1-CD2 4.07Å; V1045-L1070 HydrophobicContact CG2-CD2 3.83Å; V1052-L1070 HydrophobicContact CG2-CD1 4.47Å; V1052-L1070 HydrophobicContact CG2-CD2 3.91Å; L1068-L1070 HydrophobicContact CB-CD1 4.03Å; L1070-T1085 CarbonylContact O-C 3.58Å; L1070-T1085 VanDerWaalsContact O-CA 3.26Å; L1070-T1085 WeakPolarHBondContact O-CA 3.28Å; L1070-A1086 PolarHBondContact N-O 2.95Å; L1070-A1086 PolarHBondContact O-N 2.91Å; L1070-V1088 HydrophobicContact CD1-CB 4.1Å; L1070-V1088 HydrophobicContact CD1-CG2 3.44Å; L1070-V1088 VanDerWaalsContact CD1-CG2 3.45Å
1071E89.4Confident83.4Confident47.2 Ų47.248.5 Ų48.522%0.22129%0.292CS..EExtended strand (participates in β ladder)trans-123.2140.4178.8-128176.9-170.700109.7Q362 Y1032 F1033 T1035 I1073 T1083 G1084 T1085Q362-E1071 PolarHBondContact NE2-OE1 2.66Å; Y1032-E1071 CarbonylContact C-O 3.45Å; Y1032-E1071 VanDerWaalsContact CA-O 3.28Å; Y1032-E1071 WeakPolarHBondContact CA-O 3.31Å; F1033-E1071 PolarHBondContact N-O 2.91Å; F1033-E1071 PolarHBondContact O-N 3.15Å; F1033-E1071 VanDerWaalsContact O-N 3.08Å; T1035-E1071 VanDerWaalsContact CB-OE1 3.29Å; T1035-E1071 WeakPolarHBondContact CB-OE1 3.46Å; T1035-E1071 HydrophobicContact CG2-CB 3.84Å; T1035-E1071 VanDerWaalsContact CG2-CD 3.45Å; T1035-E1071 HydrophobicContact CG2-CG 3.93Å; T1035-E1071 WeakPolarHBondContact CG2-OE1 3.49Å; T1035-E1071 WeakPolarHBondContact CG2-OE2 3.32Å; T1035-E1071 WeakPolarHBondContact OG1-CG 3.17Å; T1035-E1071 PolarHBondContact OG1-OE1 3.33Å; E1071-I1073 HydrophobicContact CG-CD1 4.39Å; E1071-I1073 HydrophobicContact CG-CG1 3.98Å; E1071-T1083 HydrophobicContact CB-CG2 4.19Å; E1071-T1083 HydrophobicContact CG-CG2 4.33Å; E1071-T1083 WeakPolarHBondContact OE1-CB 3.41Å; E1071-T1083 WeakPolarHBondContact OE1-CG2 3.49Å; E1071-T1083 PolarHBondContact OE1-OG1 3.05Å; E1071-G1084 CarbonylContact C-O 3.55Å; E1071-G1084 VanDerWaalsContact CA-O 3.26Å; E1071-G1084 WeakPolarHBondContact CA-O 3.35Å; E1071-T1085 HydrophobicContact CB-CG2 4.4Å; E1071-T1085 HydrophobicContact CG-CG2 4.11Å
1072A89.4Confident83.3Confident0 Ų049.9 Ų49.90%030%0.295CS..EExtended strand (participates in β ladder)trans-114.1125.116800000107.8P993 F995 C1019 S1031 Y1032 T1083 G1084P993-A1072 HydrophobicContact CB-CB 3.89Å; F995-A1072 HydrophobicContact CD2-CB 4.18Å; F995-A1072 HydrophobicContact CE1-CB 4.3Å; F995-A1072 HydrophobicContact CE2-CB 3.55Å; F995-A1072 VanDerWaalsContact CE2-CB 3.46Å; F995-A1072 HydrophobicContact CZ-CB 3.52Å; F995-A1072 VanDerWaalsContact CZ-CB 3.47Å; C1019-A1072 HydrophobicContact CB-CB 4.36Å; S1031-A1072 CarbonylContact O-C 3.59Å; S1031-A1072 VanDerWaalsContact O-CA 3.3Å; S1031-A1072 WeakPolarHBondContact O-CA 3.31Å; Y1032-A1072 HydrophobicContact CD1-CB 3.85Å; Y1032-A1072 HydrophobicContact CE1-CB 3.76Å; A1072-T1083 CarbonylContact O-C 3.55Å; A1072-T1083 VanDerWaalsContact O-CA 3.27Å; A1072-T1083 WeakPolarHBondContact O-CA 3.29Å; A1072-G1084 PolarHBondContact N-O 3.07Å; A1072-G1084 PolarHBondContact O-N 3.14Å
1073I87.6Confident83.5Confident29.6 Ų29.649 Ų4915%0.15229%0.29CS..EExtended strand (participates in β ladder)trans-119.6135.9-177.4-45-174.6000107.6Q362 L1030 S1031 F1033 E1071 R1081 R1082 T1083Q362-I1073 HydrophobicContact CG-CD1 4.02Å; L1030-I1073 CarbonylContact C-O 3.45Å; L1030-I1073 WeakPolarHBondContact CA-O 3.28Å; S1031-I1073 WeakPolarHBondContact CB-O 3.44Å; S1031-I1073 PolarHBondContact N-O 3.26Å; S1031-I1073 PolarHBondContact O-N 3.11Å; F1033-I1073 HydrophobicContact CD2-CD1 3.82Å; F1033-I1073 HydrophobicContact CD2-CG1 4.04Å; F1033-I1073 HydrophobicContact CE2-CB 4.22Å; F1033-I1073 HydrophobicContact CE2-CD1 3.76Å; F1033-I1073 HydrophobicContact CE2-CG1 4.08Å; E1071-I1073 HydrophobicContact CG-CD1 4.39Å; E1071-I1073 HydrophobicContact CG-CG1 3.98Å; I1073-R1081 HydrophobicContact CG2-CB 4.14Å; I1073-R1081 HydrophobicContact CG2-CG 4.45Å; I1073-R1082 WeakPolarHBondContact CA-O 3.28Å; I1073-R1082 WeakPolarHBondContact CG2-O 3.4Å; I1073-T1083 HydrophobicContact CB-CG2 4.22Å; I1073-T1083 HydrophobicContact CD1-CG2 4.16Å; I1073-T1083 HydrophobicContact CG1-CG2 3.91Å; I1073-T1083 HydrophobicContact CG2-CG2 4.05Å
1074D86.3Confident83.7Confident0.2 Ų0.247.6 Ų47.60%0.00128%0.283CS..EExtended strand (participates in β ladder)trans-67157167.568.262000111.6N989 P993 N1027 E1029 L1030 G1076 R1081 R1082N989-D1074 PolarHBondContact ND2-OD1 3.05Å; N989-D1074 VanDerWaalsContact ND2-OD1 3.09Å; N989-D1074 PolarHBondContact ND2-OD2 2.91Å; N989-D1074 VanDerWaalsContact OD1-CG 3.27Å; N989-D1074 PolarHBondContact OD1-OD1 2.92Å; N989-D1074 PolarHBondContact OD1-OD2 3Å; P993-D1074 HydrophobicContact CG-CB 3.91Å; N1027-D1074 WeakPolarHBondContact O-CB 3.34Å; E1029-D1074 CarbonylContact O-C 3.59Å; E1029-D1074 WeakPolarHBondContact O-CA 3.31Å; L1030-D1074 HydrophobicContact CD2-CB 4.46Å; D1074-G1076 VanDerWaalsContact C-N 3.29Å; D1074-G1076 PolarHBondContact O-N 2.84Å; D1074-G1076 VanDerWaalsContact OD1-CA 3.29Å; D1074-G1076 WeakPolarHBondContact OD1-CA 3.37Å; D1074-G1076 PolarHBondContact OD1-N 3.04Å; D1074-R1081 WeakPolarHBondContact O-CD 3.3Å; D1074-R1081 WeakPolarHBondContact O-CG 3.14Å; D1074-R1081 VanDerWaalsContact OD1-CA 3.25Å; D1074-R1081 WeakPolarHBondContact OD1-CA 3.34Å; D1074-R1081 VanDerWaalsContact OD1-CB 3.29Å; D1074-R1081 WeakPolarHBondContact OD1-CB 3.36Å; D1074-R1081 VanDerWaalsContact OD1-CG 3.24Å; D1074-R1081 WeakPolarHBondContact OD1-CG 3.38Å; D1074-R1081 WeakPolarHBondContact OD2-CA 3.36Å; D1074-R1082 PolarHBondContact N-O 3.14Å; D1074-R1082 VanDerWaalsContact N-O 3.12Å; D1074-R1082 WeakPolarHBondContact OD2-CA 3.35Å; D1074-R1082 VanDerWaalsContact OD2-CB 3.23Å; D1074-R1082 WeakPolarHBondContact OD2-CB 3.43Å; D1074-R1082 PolarHBondContact OD2-N 3Å
1075N81.6Confident84Confident17.2 Ų17.249.6 Ų49.69%0.09229%0.291CS..  trans-89.315.4176.4-74.6-33.1000113L1026 E1029 S1031 Y1047 R1081L1026-N1075 HydrophobicContact CB-CB 4.26Å; L1026-N1075 HydrophobicContact CD2-CB 4.08Å; L1026-N1075 CarbonylContact O-C 3.55Å; L1026-N1075 VanDerWaalsContact O-C 3.27Å; L1026-N1075 VanDerWaalsContact O-CA 3.27Å; L1026-N1075 WeakPolarHBondContact O-CA 3.32Å; L1026-N1075 VanDerWaalsContact O-CB 3.32Å; L1026-N1075 WeakPolarHBondContact O-CB 3.31Å; L1026-N1075 PolarHBondContact O-N 3.13Å; L1026-N1075 VanDerWaalsContact O-N 3.12Å; E1029-N1075 HydrophobicContact CB-CB 4.31Å; E1029-N1075 VanDerWaalsContact CD-ND2 3.33Å; E1029-N1075 WeakPolarHBondContact CG-ND2 3.4Å; E1029-N1075 VanDerWaalsContact O-CB 3.3Å; E1029-N1075 WeakPolarHBondContact O-CB 3.39Å; E1029-N1075 VanDerWaalsContact O-CG 3.28Å; E1029-N1075 PolarHBondContact O-N 2.93Å; E1029-N1075 VanDerWaalsContact O-N 3.07Å; E1029-N1075 PolarHBondContact O-ND2 3.03Å; E1029-N1075 PolarHBondContact OE2-ND2 3.06Å; S1031-N1075 VanDerWaalsContact OG-CG 3.27Å; S1031-N1075 PolarHBondContact OG-ND2 3.11Å; S1031-N1075 PolarHBondContact OG-OD1 3.07Å; Y1047-N1075 PolarHBondContact OH-OD1 3.34Å; N1075-R1081 VanDerWaalsContact C-NH2 3.31Å; N1075-R1081 PolarHBondContact O-NH2 3.15Å
1076G76.5Confident84.1Confident2.6 Ų2.646.8 Ų46.83%0.02727%0.268CS..  trans-61.6179.2-177.400000114.7N989 L1026 N1027 D1074 V1078 R1081N989-G1076 WeakPolarHBondContact OD1-CA 3.39Å; L1026-G1076 PolarHBondContact O-N 3.1Å; N1027-G1076 WeakPolarHBondContact OD1-CA 3.41Å; D1074-G1076 VanDerWaalsContact C-N 3.29Å; D1074-G1076 PolarHBondContact O-N 2.84Å; D1074-G1076 VanDerWaalsContact OD1-CA 3.29Å; D1074-G1076 WeakPolarHBondContact OD1-CA 3.37Å; D1074-G1076 PolarHBondContact OD1-N 3.04Å; G1076-V1078 PolarHBondContact O-N 2.98Å; G1076-R1081 VanDerWaalsContact O-CG 3.24Å; G1076-R1081 WeakPolarHBondContact O-CG 3.24Å; G1076-R1081 PolarHBondContact O-NE 3.23Å; G1076-R1081 PolarHBondContact O-NH2 3.29Å
1077P73.1Confident84.2Confident69 Ų6948.3 Ų48.345%0.44828%0.278SS..SBendtrans-56.6135.7-175.6-26.134.9000112.9N989 N1027 G1079 K1080 R1081N989-P1077 WeakPolarHBondContact OD1-CD 3.45Å; N1027-P1077 VanDerWaalsContact OD1-CD 3.31Å; N1027-P1077 WeakPolarHBondContact OD1-CD 3.41Å; P1077-G1079 PolarHBondContact O-N 2.95Å; P1077-G1079 VanDerWaalsContact O-N 3.15Å; P1077-K1080 HydrophobicContact CB-CB 4.34Å; P1077-K1080 WeakPolarHBondContact O-CA 3.37Å; P1077-K1080 WeakPolarHBondContact O-CB 3.45Å; P1077-K1080 PolarHBondContact O-N 3.07Å; P1077-R1081 PolarHBondContact O-N 3.12Å; P1077-R1081 VanDerWaalsContact O-N 3.11Å
1078V67.3Low84.2Confident129.6 Ų129.645 Ų4579%0.78526%0.257SS*.THydrogen-bonded Turntrans-54.9123-178.3-179.10000110.5G1076G1076-V1078 PolarHBondContact O-N 2.98Å
1079G70.2Confident84.2Confident81.6 Ų81.649.1 Ų49.184%0.84128%0.276SS*.THydrogen-bonded Turntrans92-5.8-175.200000115.6P1077P1077-G1079 PolarHBondContact O-N 2.95Å; P1077-G1079 VanDerWaalsContact O-N 3.15Å
1080K73.9Confident84.3Confident125.6 Ų125.647.1 Ų47.155%0.54626%0.263SS..THydrogen-bonded Turntrans-110.6-14.1167.2-80.4-163.8170.8-165.60114.6N989 P1077 R1082N989-K1080 PolarHBondContact ND2-O 2.89Å; N989-K1080 PolarHBondContact OD1-O 2.94Å; P1077-K1080 HydrophobicContact CB-CB 4.34Å; P1077-K1080 WeakPolarHBondContact O-CA 3.37Å; P1077-K1080 WeakPolarHBondContact O-CB 3.45Å; P1077-K1080 PolarHBondContact O-N 3.07Å; K1080-R1082 PolarHBondContact O-N 2.98Å
1081R80.8Confident84.2Confident103.4 Ų103.450.4 Ų50.439%0.3928%0.284SS..  trans-51141.4178.1-60.9-175.9177.2-179.8-6.4113D455 I1073 D1074 N1075 G1076 P1077D455-R1081 IonicContact OD2-CZ 3.53Å; D455-R1081 IonicContact OD2-NH1 3.73Å; D455-R1081 PolarHBondContact OD2-NH1 3.12Å; D455-R1081 IonicContact OD2-NH2 2.72Å; D455-R1081 PolarHBondContact OD2-NH2 3.1Å; I1073-R1081 HydrophobicContact CG2-CB 4.14Å; I1073-R1081 HydrophobicContact CG2-CG 4.45Å; D1074-R1081 WeakPolarHBondContact O-CD 3.3Å; D1074-R1081 WeakPolarHBondContact O-CG 3.14Å; D1074-R1081 VanDerWaalsContact OD1-CA 3.25Å; D1074-R1081 WeakPolarHBondContact OD1-CA 3.34Å; D1074-R1081 VanDerWaalsContact OD1-CB 3.29Å; D1074-R1081 WeakPolarHBondContact OD1-CB 3.36Å; D1074-R1081 VanDerWaalsContact OD1-CG 3.24Å; D1074-R1081 WeakPolarHBondContact OD1-CG 3.38Å; D1074-R1081 WeakPolarHBondContact OD2-CA 3.36Å; N1075-R1081 VanDerWaalsContact C-NH2 3.31Å; N1075-R1081 PolarHBondContact O-NH2 3.15Å; G1076-R1081 VanDerWaalsContact O-CG 3.24Å; G1076-R1081 WeakPolarHBondContact O-CG 3.24Å; G1076-R1081 PolarHBondContact O-NE 3.23Å; G1076-R1081 PolarHBondContact O-NH2 3.29Å; P1077-R1081 PolarHBondContact O-N 3.12Å; P1077-R1081 VanDerWaalsContact O-N 3.11Å
1082R82Confident84.2Confident90.6 Ų90.648.5 Ų48.534%0.34228%0.275SS..  trans-117.2160.2178.3-59.4-170.5-177.6-169.510.4110N989 D990 E991 T992 I1073 D1074 K1080N989-R1082 PolarHBondContact O-NE 3.25Å; N989-R1082 VanDerWaalsContact O-NE 3.12Å; N989-R1082 PolarHBondContact O-NH2 3.42Å; N989-R1082 WeakPolarHBondContact OD1-CD 3.45Å; N989-R1082 VanDerWaalsContact OD1-CG 3.23Å; N989-R1082 WeakPolarHBondContact OD1-CG 3.35Å; N989-R1082 PolarHBondContact OD1-NE 2.79Å; N989-R1082 VanDerWaalsContact OD1-NE 3.13Å; D990-R1082 VanDerWaalsContact C-NH2 3.3Å; D990-R1082 VanDerWaalsContact CA-CZ 3.43Å; D990-R1082 VanDerWaalsContact CA-NH2 3.3Å; D990-R1082 VanDerWaalsContact O-CZ 3.23Å; D990-R1082 PolarHBondContact O-NH1 3.09Å; D990-R1082 PolarHBondContact O-NH2 3.12Å; E991-R1082 WeakPolarHBondContact O-CD 3.39Å; E991-R1082 PolarHBondContact O-NE 2.99Å; E991-R1082 PolarHBondContact O-NH1 3.1Å; T992-R1082 HydrophobicContact CG2-CB 4.18Å; T992-R1082 WeakPolarHBondContact OG1-CD 3.4Å; T992-R1082 PolarHBondContact OG1-NH1 3.1Å; I1073-R1082 WeakPolarHBondContact CA-O 3.28Å; I1073-R1082 WeakPolarHBondContact CG2-O 3.4Å; D1074-R1082 PolarHBondContact N-O 3.14Å; D1074-R1082 VanDerWaalsContact N-O 3.12Å; D1074-R1082 WeakPolarHBondContact OD2-CA 3.35Å; D1074-R1082 VanDerWaalsContact OD2-CB 3.23Å; D1074-R1082 WeakPolarHBondContact OD2-CB 3.43Å; D1074-R1082 PolarHBondContact OD2-N 3Å; K1080-R1082 PolarHBondContact O-N 2.98Å
1083T86.8Confident84Confident69.4 Ų69.452.5 Ų52.543%0.42630%0.296SS..EExtended strand (participates in β ladder)trans-138.8135-169.752.90000112.7E1071 A1072 I1073 T1085E1071-T1083 HydrophobicContact CB-CG2 4.19Å; E1071-T1083 HydrophobicContact CG-CG2 4.33Å; E1071-T1083 WeakPolarHBondContact OE1-CB 3.41Å; E1071-T1083 WeakPolarHBondContact OE1-CG2 3.49Å; E1071-T1083 PolarHBondContact OE1-OG1 3.05Å; A1072-T1083 CarbonylContact O-C 3.55Å; A1072-T1083 VanDerWaalsContact O-CA 3.27Å; A1072-T1083 WeakPolarHBondContact O-CA 3.29Å; I1073-T1083 HydrophobicContact CB-CG2 4.22Å; I1073-T1083 HydrophobicContact CD1-CG2 4.16Å; I1073-T1083 HydrophobicContact CG1-CG2 3.91Å; I1073-T1083 HydrophobicContact CG2-CG2 4.05Å; T1083-T1085 HydrophobicContact CG2-CG2 4.35Å
1084G87.1Confident83.8Confident8.8 Ų8.852.7 Ų52.79%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-105.9155165.800000111.6P993 F995 E1071 A1072P993-G1084 WeakPolarHBondContact O-CA 3.4Å; F995-G1084 WeakPolarHBondContact CE2-O 3.37Å; E1071-G1084 CarbonylContact C-O 3.55Å; E1071-G1084 VanDerWaalsContact CA-O 3.26Å; E1071-G1084 WeakPolarHBondContact CA-O 3.35Å; A1072-G1084 PolarHBondContact N-O 3.07Å; A1072-G1084 PolarHBondContact O-N 3.14Å
1085T90Very high83.6Confident83 Ų8354.5 Ų54.551%0.50931%0.308SS..EExtended strand (participates in β ladder)trans-131.5149.1178.360.80000113.7F995 L1070 E1071 T1083F995-T1085 WeakPolarHBondContact CD2-O 3.49Å; L1070-T1085 CarbonylContact O-C 3.58Å; L1070-T1085 VanDerWaalsContact O-CA 3.26Å; L1070-T1085 WeakPolarHBondContact O-CA 3.28Å; E1071-T1085 HydrophobicContact CB-CG2 4.4Å; E1071-T1085 HydrophobicContact CG-CG2 4.11Å; T1083-T1085 HydrophobicContact CG2-CG2 4.35Å
1086A90.5Very high83.5Confident2.4 Ų2.455 Ų552%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-138.9161.4174.200000112F995 A998 Y1000 L1070F995-A1086 HydrophobicContact CB-CB 3.96Å; F995-A1086 HydrophobicContact CD1-CB 4.05Å; F995-A1086 HydrophobicContact CD2-CB 3.94Å; F995-A1086 HydrophobicContact CE1-CB 4.2Å; F995-A1086 HydrophobicContact CE2-CB 4.08Å; F995-A1086 HydrophobicContact CG-CB 3.91Å; F995-A1086 HydrophobicContact CZ-CB 4.2Å; A998-A1086 CarbonylContact O-C 3.59Å; A998-A1086 VanDerWaalsContact O-CA 3.3Å; A998-A1086 WeakPolarHBondContact O-CA 3.33Å; A998-A1086 WeakPolarHBondContact O-CB 3.25Å; Y1000-A1086 HydrophobicContact CD2-CB 4.45Å; Y1000-A1086 HydrophobicContact CE2-CB 4.37Å; L1070-A1086 PolarHBondContact N-O 2.95Å; L1070-A1086 PolarHBondContact O-N 2.91Å
1087T92Very high83.6Confident39.4 Ų39.459 Ų5924%0.24233%0.332CS..EExtended strand (participates in β ladder)trans-124.5132.5175.8-31.20000111.6A998 V999 Y1000 T1067 L1068 V1069 F1089A998-T1087 PolarHBondContact O-N 2.98Å; V999-T1087 CarbonylContact C-O 3.46Å; V999-T1087 VanDerWaalsContact CA-O 3.32Å; V999-T1087 WeakPolarHBondContact CA-O 3.38Å; Y1000-T1087 PolarHBondContact N-O 2.96Å; T1067-T1087 HydrophobicContact CG2-CG2 3.82Å; L1068-T1087 CarbonylContact O-C 3.47Å; L1068-T1087 WeakPolarHBondContact O-CA 3.31Å; L1068-T1087 WeakPolarHBondContact O-CG2 3.48Å; V1069-T1087 HydrophobicContact CG2-CG2 4.39Å; T1087-F1089 HydrophobicContact CG2-CD2 4.35Å; T1087-F1089 HydrophobicContact CG2-CE1 4.35Å; T1087-F1089 HydrophobicContact CG2-CE2 3.97Å; T1087-F1089 HydrophobicContact CG2-CZ 4.03Å
1088V91.9Very high83.9Confident0.2 Ų0.258.1 Ų58.10%0.00132%0.323CS..EExtended strand (participates in β ladder)trans-119115176.2-176.20000109.5Y1000 V1002 V1015 L1017 V1052 T1067 L1068 L1070 V1090Y1000-V1088 HydrophobicContact CD2-CG2 4.24Å; Y1000-V1088 HydrophobicContact CG-CG2 4.36Å; Y1000-V1088 CarbonylContact O-C 3.52Å; Y1000-V1088 VanDerWaalsContact O-CA 3.31Å; Y1000-V1088 WeakPolarHBondContact O-CA 3.19Å; V1002-V1088 HydrophobicContact CG2-CG1 3.99Å; V1015-V1088 HydrophobicContact CG1-CG1 3.89Å; V1015-V1088 HydrophobicContact CG1-CG2 4.07Å; L1017-V1088 HydrophobicContact CD1-CG2 4.44Å; L1017-V1088 HydrophobicContact CD2-CG2 3.9Å; V1052-V1088 HydrophobicContact CG2-CG2 4.46Å; T1067-V1088 CarbonylContact C-O 3.44Å; L1068-V1088 HydrophobicContact CB-CB 4.27Å; L1068-V1088 WeakPolarHBondContact CB-O 3.27Å; L1068-V1088 PolarHBondContact N-O 2.94Å; L1068-V1088 PolarHBondContact O-N 3.09Å; L1070-V1088 HydrophobicContact CD1-CB 4.1Å; L1070-V1088 HydrophobicContact CD1-CG2 3.44Å; L1070-V1088 VanDerWaalsContact CD1-CG2 3.45Å; V1088-V1090 HydrophobicContact CG1-CG2 3.93Å; V1088-V1090 PolarHBondContact O-N 3.24Å
1089F92.1Very high84.5Confident86.8 Ų86.858.5 Ų58.538%0.38131%0.311SS..EExtended strand (participates in β ladder)trans-88.5116.8170.4-65.5-88.5000109.5V999 Y1000 N1001 V1002 Y1066 T1067 T1087 T1091V999-F1089 HydrophobicContact CG1-CD2 3.81Å; V999-F1089 HydrophobicContact CG1-CE2 3.94Å; Y1000-F1089 PolarHBondContact O-N 3.13Å; N1001-F1089 CarbonylContact C-O 3.59Å; N1001-F1089 WeakPolarHBondContact OD1-CD2 3.36Å; V1002-F1089 VanDerWaalsContact CG2-O 3.23Å; V1002-F1089 WeakPolarHBondContact CG2-O 3.47Å; V1002-F1089 PolarHBondContact N-O 3.22Å; Y1066-F1089 WeakPolarHBondContact O-CA 3.49Å; T1067-F1089 HydrophobicContact CG2-CD1 3.78Å; T1067-F1089 HydrophobicContact CG2-CE1 3.46Å; T1067-F1089 VanDerWaalsContact CG2-CE1 3.4Å; T1067-F1089 HydrophobicContact CG2-CG 4.36Å; T1067-F1089 HydrophobicContact CG2-CZ 3.95Å; T1067-F1089 VanDerWaalsContact OG1-CD1 3.29Å; T1067-F1089 WeakPolarHBondContact OG1-CD1 3.24Å; T1087-F1089 HydrophobicContact CG2-CD2 4.35Å; T1087-F1089 HydrophobicContact CG2-CE1 4.35Å; T1087-F1089 HydrophobicContact CG2-CE2 3.97Å; T1087-F1089 HydrophobicContact CG2-CZ 4.03Å; F1089-T1091 PolarHBondContact O-N 3.05Å
1090V91.1Very high85.3Confident1.4 Ų1.454.6 Ų54.61%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-109.3117.5176.7-170.50000109.3V1002 V1004 V1014 F1043 A1065 Y1066 L1068 V1088V1002-V1090 HydrophobicContact CG2-CB 4.36Å; V1002-V1090 HydrophobicContact CG2-CG1 4.33Å; V1002-V1090 HydrophobicContact CG2-CG2 4.03Å; V1002-V1090 WeakPolarHBondContact O-CA 3.32Å; V1004-V1090 HydrophobicContact CB-CG1 4.32Å; V1004-V1090 HydrophobicContact CG2-CG1 3.81Å; V1014-V1090 HydrophobicContact CG1-CG1 4.44Å; V1014-V1090 HydrophobicContact CG1-CG2 4.12Å; F1043-V1090 HydrophobicContact CE1-CB 4.45Å; F1043-V1090 HydrophobicContact CE1-CG1 4.1Å; F1043-V1090 HydrophobicContact CE1-CG2 4.25Å; F1043-V1090 HydrophobicContact CZ-CB 4.25Å; F1043-V1090 HydrophobicContact CZ-CG1 3.88Å; F1043-V1090 HydrophobicContact CZ-CG2 4.26Å; A1065-V1090 CarbonylContact C-O 3.36Å; A1065-V1090 VanDerWaalsContact CA-O 3.28Å; A1065-V1090 WeakPolarHBondContact CA-O 3.34Å; Y1066-V1090 PolarHBondContact N-O 3.21Å; Y1066-V1090 PolarHBondContact O-N 3.09Å; L1068-V1090 HydrophobicContact CD1-CG2 3.96Å; L1068-V1090 HydrophobicContact CG-CG2 4.32Å; V1088-V1090 HydrophobicContact CG1-CG2 3.93Å; V1088-V1090 PolarHBondContact O-N 3.24Å
1091T88.9Confident85.7Confident71.4 Ų71.453.4 Ų53.444%0.43827%0.269SS..EExtended strand (participates in β ladder)trans-95.1127.1168-17.10000109.1V1002 S1003 V1004 F1089 L1093V1002-T1091 PolarHBondContact O-N 3.06Å; V1002-T1091 VanDerWaalsContact O-N 3.17Å; V1002-T1091 PolarHBondContact O-OG1 2.91Å; S1003-T1091 CarbonylContact C-O 3.47Å; S1003-T1091 VanDerWaalsContact CA-O 3.31Å; S1003-T1091 WeakPolarHBondContact CA-O 3.4Å; S1003-T1091 WeakPolarHBondContact CA-OG1 3.22Å; V1004-T1091 PolarHBondContact N-O 2.98Å; F1089-T1091 PolarHBondContact O-N 3.05Å; T1091-L1093 HydrophobicContact CG2-CD2 4.42Å; T1091-L1093 PolarHBondContact O-N 3.11Å
1092V89.3Confident86Confident5.8 Ų5.849.6 Ų49.64%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-82.8136172.3-170.70000108.5V1004 E1006 L1058 R1060 T1063 A1064 Y1066V1004-V1092 CarbonylContact O-C 3.53Å; V1004-V1092 VanDerWaalsContact O-CA 3.27Å; V1004-V1092 WeakPolarHBondContact O-CA 3.31Å; E1006-V1092 HydrophobicContact CB-CG1 3.72Å; L1058-V1092 HydrophobicContact CB-CG1 4.25Å; L1058-V1092 HydrophobicContact CD1-CG1 4.42Å; L1058-V1092 HydrophobicContact CD1-CG2 4.36Å; R1060-V1092 HydrophobicContact CB-CB 4.27Å; R1060-V1092 HydrophobicContact CB-CG1 3.95Å; R1060-V1092 HydrophobicContact CG-CB 4.16Å; R1060-V1092 HydrophobicContact CG-CG1 4.16Å; R1060-V1092 PolarHBondContact NH1-O 3.22Å; T1063-V1092 WeakPolarHBondContact O-CG2 3.41Å; A1064-V1092 WeakPolarHBondContact O-CB 3.36Å; A1064-V1092 PolarHBondContact O-N 2.85Å; A1064-V1092 VanDerWaalsContact O-N 3.12Å; Y1066-V1092 HydrophobicContact CD2-CG2 4.06Å; Y1066-V1092 HydrophobicContact CE2-CG2 3.72Å
1093L85.3Confident85.9Confident84.2 Ų84.250.1 Ų50.144%0.44126%0.264SS..EExtended strand (participates in β ladder)trans-103.7132.4176.6-58.3176.2000110V1004 E1006 T1091 V1095V1004-L1093 PolarHBondContact O-N 3.07Å; E1006-L1093 PolarHBondContact N-O 3.17Å; E1006-L1093 VanDerWaalsContact N-O 3.17Å; T1091-L1093 HydrophobicContact CG2-CD2 4.42Å; T1091-L1093 PolarHBondContact O-N 3.11Å; L1093-V1095 PolarHBondContact O-N 3.06Å
1094D83.6Confident85.6Confident35 Ų3552 Ų5219%0.18727%0.268CS..PPolyproline II helixtrans-60.2130.7-179.5-172.755.9000113.5E1006 R1060 D1130 E1131 F1134E1006-D1094 VanDerWaalsContact OE1-CA 3.28Å; E1006-D1094 WeakPolarHBondContact OE1-CA 3.26Å; R1060-D1094 VanDerWaalsContact CD-OD1 3.29Å; R1060-D1094 WeakPolarHBondContact CD-OD1 3.35Å; R1060-D1094 HydrophobicContact CG-CB 4.03Å; R1060-D1094 IonicContact CZ-OD1 2.97Å; R1060-D1094 VanDerWaalsContact CZ-OD1 3.26Å; R1060-D1094 IonicContact NE-OD1 2.96Å; R1060-D1094 PolarHBondContact NE-OD1 3.03Å; R1060-D1094 IonicContact NH2-OD1 2.67Å; R1060-D1094 PolarHBondContact NH2-OD1 3.08Å; D1094-D1130 WeakPolarHBondContact OD1-CA 3.35Å; D1094-E1131 HydrophobicContact CB-CB 3.99Å; D1094-E1131 VanDerWaalsContact CG-CB 3.42Å; D1094-E1131 VanDerWaalsContact CG-N 3.31Å; D1094-E1131 WeakPolarHBondContact OD1-CB 3.35Å; D1094-E1131 PolarHBondContact OD1-N 3Å; D1094-E1131 WeakPolarHBondContact OD2-CA 3.33Å; D1094-E1131 VanDerWaalsContact OD2-CB 3.27Å; D1094-E1131 WeakPolarHBondContact OD2-CB 3.34Å; D1094-E1131 PolarHBondContact OD2-N 3.1Å; D1094-E1131 VanDerWaalsContact OD2-O 3.04Å; D1094-F1134 HydrophobicContact CB-CD2 4.41Å; D1094-F1134 VanDerWaalsContact O-CE2 3.29Å; D1094-F1134 WeakPolarHBondContact O-CE2 3.31Å; D1094-F1134 WeakPolarHBondContact OD2-CD2 3.26Å
1095V82.4Confident85.1Confident37.6 Ų37.657 Ų5723%0.22830%0.302CS..  trans-125.9140.8172.5179.40000108.7S1005 E1006 D1007 L1093 D1097S1005-V1095 WeakPolarHBondContact OG-CG2 3.37Å; E1006-V1095 HydrophobicContact CG-CB 3.95Å; E1006-V1095 HydrophobicContact CG-CG2 3.96Å; E1006-V1095 PolarHBondContact OE1-N 3.01Å; D1007-V1095 HydrophobicContact CB-CB 4.34Å; D1007-V1095 HydrophobicContact CB-CG1 4.33Å; D1007-V1095 HydrophobicContact CB-CG2 4.15Å; L1093-V1095 PolarHBondContact O-N 3.06Å; V1095-D1097 VanDerWaalsContact C-N 3.26Å; V1095-D1097 HydrophobicContact CG1-CB 4.46Å; V1095-D1097 WeakPolarHBondContact O-CB 3.32Å; V1095-D1097 PolarHBondContact O-N 3.12Å
1096N78.8Confident84.8Confident27.2 Ų27.255.2 Ų55.215%0.14529%0.293CS..  trans-71.672.6179.6-168133.2000111.5N1098 D1130 F1134 N1182 H1183 M1188N1096-N1098 PolarHBondContact ND2-O 2.71Å; N1096-N1098 PolarHBondContact OD1-O 3.49Å; N1096-D1130 VanDerWaalsContact CA-OD2 3.29Å; N1096-D1130 WeakPolarHBondContact CA-OD2 3.35Å; N1096-D1130 PolarHBondContact ND2-OD2 3.02Å; N1096-D1130 PolarHBondContact OD1-OD2 3.45Å; N1096-F1134 HydrophobicContact CB-CB 4.05Å; N1096-F1134 HydrophobicContact CB-CD1 3.77Å; N1096-F1134 HydrophobicContact CB-CD2 4.04Å; N1096-F1134 HydrophobicContact CB-CE1 4.12Å; N1096-F1134 HydrophobicContact CB-CE2 4.18Å; N1096-F1134 HydrophobicContact CB-CG 3.75Å; N1096-F1134 HydrophobicContact CB-CZ 4.29Å; N1096-F1134 WeakPolarHBondContact OD1-CA 3.35Å; N1096-F1134 VanDerWaalsContact OD1-CB 3.23Å; N1096-F1134 WeakPolarHBondContact OD1-CB 3.39Å; N1096-F1134 VanDerWaalsContact OD1-CD1 3.26Å; N1096-F1134 WeakPolarHBondContact OD1-CD1 3.26Å; N1096-F1134 VanDerWaalsContact OD1-CG 3.24Å; N1096-F1134 WeakPolarHBondContact OD1-CG 2.94Å; N1096-N1182 VanDerWaalsContact ND2-CG 3.32Å; N1096-N1182 PolarHBondContact ND2-ND2 3Å; N1096-N1182 VanDerWaalsContact ND2-ND2 3.18Å; N1096-N1182 PolarHBondContact ND2-OD1 2.88Å; N1096-N1182 PolarHBondContact OD1-ND2 2.99Å; N1096-N1182 PolarHBondContact OD1-OD1 2.77Å; N1096-H1183 PolarHBondContact OD1-N 2.99Å; N1096-M1188 WeakPolarHBondContact ND2-CG 3.19Å; N1096-M1188 WeakPolarHBondContact O-CG 3.19Å; N1096-M1188 WeakPolarHBondContact OD1-CB 3.32Å; N1096-M1188 WeakPolarHBondContact OD1-CG 3.1Å
1097D79.1Confident84.7Confident87 Ų8755.7 Ų55.747%0.46529%0.294SS..  trans-103.8-25.2-174.4125.8-49.4000113V1095 D1130 M1188V1095-D1097 VanDerWaalsContact C-N 3.26Å; V1095-D1097 HydrophobicContact CG1-CB 4.46Å; V1095-D1097 WeakPolarHBondContact O-CB 3.32Å; V1095-D1097 PolarHBondContact O-N 3.12Å; D1097-D1130 PolarHBondContact N-OD1 3.18Å; D1097-D1130 PolarHBondContact N-OD2 3.49Å; D1097-M1188 VanDerWaalsContact O-CE 3.25Å; D1097-M1188 WeakPolarHBondContact O-CE 3.29Å; D1097-M1188 WeakPolarHBondContact O-CG 3.33Å
1098N78.3Confident84.4Confident49.8 Ų49.859.2 Ų59.227%0.26631%0.308SS..SBendtrans-81.9168.2168.7-61.8-88.1000111.2E1061 N1096 D1128 A1129 D1130 N1182 M1188E1061-N1098 PolarHBondContact OE2-ND2 2.85Å; N1096-N1098 PolarHBondContact ND2-O 2.71Å; N1096-N1098 PolarHBondContact OD1-O 3.49Å; N1098-D1128 VanDerWaalsContact CB-OD1 3.26Å; N1098-D1128 WeakPolarHBondContact CB-OD1 3.38Å; N1098-A1129 HydrophobicContact CB-CB 4.22Å; N1098-D1130 WeakPolarHBondContact CA-OD1 3.45Å; N1098-D1130 WeakPolarHBondContact CB-OD1 3.39Å; N1098-D1130 PolarHBondContact N-OD1 3.01Å; N1098-D1130 VanDerWaalsContact N-OD1 3.1Å; N1098-D1130 PolarHBondContact N-OD2 2.84Å; N1098-D1130 PolarHBondContact ND2-OD1 2.87Å; N1098-N1182 PolarHBondContact O-ND2 2.86Å; N1098-M1188 VanDerWaalsContact O-CB 3.28Å; N1098-M1188 WeakPolarHBondContact O-CB 3.27Å; N1098-M1188 VanDerWaalsContact O-CG 3.28Å; N1098-M1188 WeakPolarHBondContact O-CG 3.29Å
1099R81.1Confident84.2Confident137.8 Ų137.860 Ų6052%0.5232%0.315SS..  trans-129.6151.3174.169.8-173.7162.8-92.1-1109.1I1101 D1128 M1188R1099-I1101 VanDerWaalsContact O-CG1 3.32Å; R1099-I1101 WeakPolarHBondContact O-CG1 3.26Å; R1099-I1101 PolarHBondContact O-N 3.24Å; R1099-D1128 VanDerWaalsContact C-CG 3.45Å; R1099-D1128 WeakPolarHBondContact CA-OD2 3.18Å; R1099-D1128 PolarHBondContact N-OD1 2.9Å; R1099-M1188 HydrophobicContact CB-CB 4.06Å; R1099-M1188 HydrophobicContact CB-SD 4.15Å
1100P85.8Confident83.9Confident0 Ų059.2 Ų59.20%032%0.319CS..  trans-62.7133.1178.3-2535.8000110.6A1126 T1127 D1128 V1137 A1180 N1182 S1190P1100-A1126 HydrophobicContact CB-CB 4.3Å; P1100-T1127 CarbonylContact C-O 3.52Å; P1100-T1127 VanDerWaalsContact CA-O 3.31Å; P1100-T1127 WeakPolarHBondContact CA-O 3.46Å; P1100-D1128 VanDerWaalsContact CA-OD2 3.31Å; P1100-D1128 WeakPolarHBondContact CA-OD2 2.97Å; P1100-D1128 HydrophobicContact CB-CB 4.46Å; P1100-D1128 WeakPolarHBondContact CD-OD2 3.33Å; P1100-D1128 HydrophobicContact CG-CB 4.36Å; P1100-D1128 VanDerWaalsContact CG-OD2 3.26Å; P1100-D1128 WeakPolarHBondContact CG-OD2 3.36Å; P1100-D1128 VanDerWaalsContact N-OD2 3.12Å; P1100-V1137 HydrophobicContact CB-CB 4.46Å; P1100-V1137 HydrophobicContact CB-CG1 3.91Å; P1100-V1137 HydrophobicContact CB-CG2 3.91Å; P1100-V1137 HydrophobicContact CG-CG1 4.27Å; P1100-V1137 HydrophobicContact CG-CG2 4.15Å; P1100-A1180 HydrophobicContact CB-CB 3.69Å; P1100-A1180 HydrophobicContact CG-CB 4.32Å; P1100-N1182 WeakPolarHBondContact CD-OD1 3.3Å; P1100-N1182 HydrophobicContact CG-CB 4.14Å; P1100-N1182 WeakPolarHBondContact CG-OD1 3.35Å; P1100-S1190 WeakPolarHBondContact O-CB 3.27Å; P1100-S1190 PolarHBondContact O-OG 3.09Å
1101I82.4Confident83.8Confident100.2 Ų100.259.6 Ų59.651%0.51432%0.322SS..EExtended strand (participates in β ladder)trans-112.9123.1178.2-40.8179.9000109.7R1099 A1126 T1127R1099-I1101 VanDerWaalsContact O-CG1 3.32Å; R1099-I1101 WeakPolarHBondContact O-CG1 3.26Å; R1099-I1101 PolarHBondContact O-N 3.24Å; I1101-A1126 CarbonylContact O-C 3.49Å; I1101-A1126 WeakPolarHBondContact O-CA 3.39Å; I1101-A1126 VanDerWaalsContact O-CB 3.3Å; I1101-A1126 WeakPolarHBondContact O-CB 3.26Å; I1101-T1127 WeakPolarHBondContact CG1-O 3.3Å; I1101-T1127 PolarHBondContact N-O 3.01Å; I1101-T1127 PolarHBondContact O-N 3.19Å; I1101-T1127 VanDerWaalsContact O-N 3.07Å
1102F87.3Confident83.8Confident22.6 Ų22.658.4 Ų58.410%0.09932%0.315CS..EExtended strand (participates in β ladder)trans-69.6140.3173.5-73.8-83.1000111.7Q1104 Y1107 L1124 K1125 A1126 Y1139 V1178 A1180 S1190 V1192F1102-Q1104 PolarHBondContact O-N 3Å; F1102-Q1104 VanDerWaalsContact O-N 3.13Å; F1102-Y1107 HydrophobicContact CB-CE2 4.39Å; F1102-Y1107 AromaticContact CD1-CE2 3.95Å; F1102-Y1107 HydrophobicContact CD1-CE2 4.01Å; F1102-Y1107 HydrophobicContact CG-CE2 4.49Å; F1102-L1124 HydrophobicContact CD1-CD2 4.2Å; F1102-L1124 HydrophobicContact CE1-CB 4.31Å; F1102-L1124 HydrophobicContact CE1-CD2 3.65Å; F1102-L1124 HydrophobicContact CZ-CD2 4.38Å; F1102-K1125 WeakPolarHBondContact CA-O 3.22Å; F1102-A1126 HydrophobicContact CB-CB 4.46Å; F1102-A1126 HydrophobicContact CD1-CB 3.83Å; F1102-A1126 HydrophobicContact CD2-CB 4.4Å; F1102-A1126 HydrophobicContact CE1-CB 4.16Å; F1102-A1126 HydrophobicContact CG-CB 4Å; F1102-Y1139 HydrophobicContact CD1-CE1 4.45Å; F1102-Y1139 AromaticContact CE1-CD1 3.83Å; F1102-Y1139 HydrophobicContact CE1-CD1 4.01Å; F1102-Y1139 AromaticContact CE1-CE1 3.9Å; F1102-Y1139 HydrophobicContact CE1-CE1 3.9Å; F1102-Y1139 HydrophobicContact CZ-CD1 4.33Å; F1102-Y1139 HydrophobicContact CZ-CE1 4.44Å; F1102-V1178 HydrophobicContact CE1-CG1 4.48Å; F1102-V1178 HydrophobicContact CZ-CG1 4.26Å; F1102-A1180 HydrophobicContact CD2-CB 4.31Å; F1102-A1180 HydrophobicContact CE1-CB 4.11Å; F1102-A1180 HydrophobicContact CE2-CB 3.53Å; F1102-A1180 VanDerWaalsContact CE2-CB 3.49Å; F1102-A1180 HydrophobicContact CZ-CB 3.42Å; F1102-A1180 VanDerWaalsContact CZ-CB 3.45Å; F1102-S1190 VanDerWaalsContact CD2-OG 3.26Å; F1102-S1190 WeakPolarHBondContact CD2-OG 3.38Å; F1102-S1190 WeakPolarHBondContact CE2-OG 3.31Å; F1102-V1192 HydrophobicContact CB-CB 4.32Å; F1102-V1192 HydrophobicContact CB-CG1 4.49Å; F1102-V1192 HydrophobicContact CB-CG2 4.4Å; F1102-V1192 HydrophobicContact CD1-CB 4.24Å; F1102-V1192 HydrophobicContact CD1-CG1 3.68Å; F1102-V1192 HydrophobicContact CD2-CB 3.68Å; F1102-V1192 HydrophobicContact CD2-CG1 3.83Å; F1102-V1192 HydrophobicContact CE1-CB 4.43Å; F1102-V1192 HydrophobicContact CE1-CG1 3.56Å; F1102-V1192 VanDerWaalsContact CE1-CG1 3.48Å; F1102-V1192 HydrophobicContact CE2-CB 3.92Å; F1102-V1192 HydrophobicContact CE2-CG1 3.71Å; F1102-V1192 HydrophobicContact CG-CB 3.85Å; F1102-V1192 HydrophobicContact CG-CG1 3.81Å; F1102-V1192 HydrophobicContact CG-CG2 4.41Å; F1102-V1192 HydrophobicContact CZ-CB 4.3Å; F1102-V1192 HydrophobicContact CZ-CG1 3.57Å
1103L80.6Confident83.7Confident101.6 Ų101.658.6 Ų58.653%0.53232%0.316SS..SBendtrans-73.7-5.3179.9-60.4-178.3000114.3K1125 T1127L1103-K1125 HydrophobicContact CD1-CB 4.09Å; L1103-K1125 HydrophobicContact CD1-CD 3.63Å; L1103-K1125 HydrophobicContact CD1-CG 3.76Å; L1103-K1125 HydrophobicContact CG-CB 4.45Å; L1103-K1125 HydrophobicContact CG-CG 4.38Å; L1103-K1125 WeakPolarHBondContact CG-O 3.3Å; L1103-K1125 PolarHBondContact N-O 2.99Å; L1103-K1125 VanDerWaalsContact N-O 3.07Å; L1103-T1127 HydrophobicContact CD2-CG2 4.38Å
1104Q79.5Confident83.7Confident110.2 Ų110.259.8 Ų59.852%0.51532%0.323SS..SBendtrans-142148.1177.2-60.7-176-47.300109.6F1102 S1106 Y1107 V1192F1102-Q1104 PolarHBondContact O-N 3Å; F1102-Q1104 VanDerWaalsContact O-N 3.13Å; Q1104-S1106 VanDerWaalsContact C-N 3.29Å; Q1104-S1106 VanDerWaalsContact CB-O 3.3Å; Q1104-S1106 WeakPolarHBondContact CB-O 3.28Å; Q1104-S1106 PolarHBondContact O-N 2.92Å; Q1104-Y1107 HydrophobicContact CB-CD2 4.29Å; Q1104-Y1107 HydrophobicContact CB-CE1 4.3Å; Q1104-Y1107 HydrophobicContact CB-CE2 3.95Å; Q1104-Y1107 HydrophobicContact CG-CE1 4.26Å; Q1104-Y1107 HydrophobicContact CG-CE2 4.5Å; Q1104-Y1107 VanDerWaalsContact OE1-CE1 3.25Å; Q1104-Y1107 PolarHBondContact OE1-OH 2.87Å; Q1104-V1192 WeakPolarHBondContact O-CG2 3.26Å
1105S77.1Confident83.9Confident113.4 Ų113.458.8 Ų58.879%0.79332%0.317SS*.SBendtrans-75.8-21.6178.949.60000114V1192S1105-V1192 WeakPolarHBondContact O-CG2 3.4Å
1106S84.8Confident84.2Confident44.8 Ų44.860.7 Ų60.731%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-156.1156.317251.70000110.4Q1104 R1193Q1104-S1106 VanDerWaalsContact C-N 3.29Å; Q1104-S1106 VanDerWaalsContact CB-O 3.3Å; Q1104-S1106 WeakPolarHBondContact CB-O 3.28Å; Q1104-S1106 PolarHBondContact O-N 2.92Å; S1106-R1193 VanDerWaalsContact CA-O 3.31Å; S1106-R1193 WeakPolarHBondContact CA-O 3.4Å
1107Y86.4Confident84.6Confident13.2 Ų13.264.8 Ų64.85%0.05235%0.349CS..EExtended strand (participates in β ladder)trans-125142.4174-67.9-100.7000109.7F1102 Q1104 V1122 Q1123 L1124 K1125 V1192 R1193 V1194 I1195F1102-Y1107 HydrophobicContact CB-CE2 4.39Å; F1102-Y1107 AromaticContact CD1-CE2 3.95Å; F1102-Y1107 HydrophobicContact CD1-CE2 4.01Å; F1102-Y1107 HydrophobicContact CG-CE2 4.49Å; Q1104-Y1107 HydrophobicContact CB-CD2 4.29Å; Q1104-Y1107 HydrophobicContact CB-CE1 4.3Å; Q1104-Y1107 HydrophobicContact CB-CE2 3.95Å; Q1104-Y1107 HydrophobicContact CG-CE1 4.26Å; Q1104-Y1107 HydrophobicContact CG-CE2 4.5Å; Q1104-Y1107 VanDerWaalsContact OE1-CE1 3.25Å; Q1104-Y1107 PolarHBondContact OE1-OH 2.87Å; Y1107-V1122 HydrophobicContact CD1-CG2 4.08Å; Y1107-Q1123 WeakPolarHBondContact CE1-O 3.39Å; Y1107-L1124 HydrophobicContact CD1-CD2 3.66Å; Y1107-L1124 HydrophobicContact CD1-CG 4.2Å; Y1107-L1124 HydrophobicContact CD2-CD2 3.61Å; Y1107-L1124 VanDerWaalsContact CD2-CD2 3.42Å; Y1107-L1124 HydrophobicContact CD2-CG 4.12Å; Y1107-L1124 HydrophobicContact CE1-CB 4.38Å; Y1107-L1124 HydrophobicContact CE1-CD2 3.99Å; Y1107-L1124 HydrophobicContact CE1-CG 4.21Å; Y1107-L1124 HydrophobicContact CE2-CB 4.41Å; Y1107-L1124 HydrophobicContact CE2-CD2 3.87Å; Y1107-L1124 VanDerWaalsContact CE2-CD2 3.48Å; Y1107-L1124 HydrophobicContact CE2-CG 4.2Å; Y1107-L1124 HydrophobicContact CG-CD2 3.53Å; Y1107-L1124 HydrophobicContact CG-CG 4.21Å; Y1107-K1125 PolarHBondContact OH-N 3.07Å; Y1107-K1125 VanDerWaalsContact OH-N 3.11Å; Y1107-K1125 PolarHBondContact OH-O 3.07Å; Y1107-K1125 VanDerWaalsContact OH-O 3.1Å; Y1107-V1192 HydrophobicContact CD2-CB 4.48Å; Y1107-V1192 HydrophobicContact CD2-CG1 4.05Å; Y1107-V1192 HydrophobicContact CD2-CG2 3.9Å; Y1107-V1192 HydrophobicContact CE2-CG1 4.22Å; Y1107-V1192 HydrophobicContact CE2-CG2 4.06Å; Y1107-R1193 PolarHBondContact N-O 3.1Å; Y1107-R1193 VanDerWaalsContact N-O 3.08Å; Y1107-V1194 HydrophobicContact CD2-CG2 4.38Å; Y1107-V1194 CarbonylContact O-C 3.48Å; Y1107-V1194 VanDerWaalsContact O-CA 3.27Å; Y1107-V1194 WeakPolarHBondContact O-CA 3.39Å; Y1107-I1195 PolarHBondContact O-N 3.11Å
1108E87.3Confident84.9Confident112.4 Ų112.461.7 Ų61.753%0.52534%0.337SS..EExtended strand (participates in β ladder)trans-134.6145.9-179.1-58.4-170.2-176.200111.3I1195 Y1197E1108-I1195 CarbonylContact C-O 3.42Å; E1108-I1195 WeakPolarHBondContact CA-O 3.31Å; E1108-I1195 HydrophobicContact CG-CB 4.23Å; E1108-I1195 HydrophobicContact CG-CD1 4.39Å; E1108-I1195 HydrophobicContact CG-CG1 4.34Å; E1108-I1195 WeakPolarHBondContact OE1-CD1 3.3Å; E1108-Y1197 HydrophobicContact CB-CE2 4.34Å; E1108-Y1197 HydrophobicContact CG-CE2 4.38Å; E1108-Y1197 WeakPolarHBondContact OE2-CE2 3.41Å; E1108-Y1197 PolarHBondContact OE2-OH 3.21Å
1109A87.2Confident85.4Confident18.6 Ų18.664.1 Ų64.115%0.15435%0.347CS..EExtended strand (participates in β ladder)trans-156.8156.3176.500000111.8I1121 V1122 I1195 V1196 Y1197A1109-I1121 HydrophobicContact CB-CG2 3.75Å; A1109-V1122 HydrophobicContact CB-CB 4.13Å; A1109-I1195 PolarHBondContact N-O 3Å; A1109-I1195 VanDerWaalsContact N-O 3.1Å; A1109-V1196 CarbonylContact O-C 3.5Å; A1109-V1196 VanDerWaalsContact O-CA 3.31Å; A1109-V1196 WeakPolarHBondContact O-CA 3.35Å; A1109-Y1197 WeakPolarHBondContact O-CD2 3.28Å; A1109-Y1197 PolarHBondContact O-N 2.97Å
1110S86.4Confident85.8Confident68.2 Ų68.261 Ų6148%0.47735%0.346SS..EExtended strand (participates in β ladder)trans-122.8141.6173.4-37.30000110.7Y1197 E1199S1110-Y1197 WeakPolarHBondContact CA-O 3.38Å; S1110-E1199 WeakPolarHBondContact CB-OE1 3.39Å
1111V88.8Confident86Confident11 Ų1162.2 Ų62.27%0.06735%0.352CS..EExtended strand (participates in β ladder)trans-148.7144.2178.1-73.20000111.7I1115 I1121 L1166 V1196 Y1197 V1198 E1199V1111-I1115 HydrophobicContact CB-CD1 3.82Å; V1111-I1115 HydrophobicContact CB-CG2 4.42Å; V1111-I1115 HydrophobicContact CG1-CD1 3.71Å; V1111-I1115 HydrophobicContact CG2-CD1 3.97Å; V1111-I1115 HydrophobicContact CG2-CG2 4.44Å; V1111-I1121 HydrophobicContact CG1-CB 4.34Å; V1111-I1121 HydrophobicContact CG1-CG1 4.2Å; V1111-I1121 HydrophobicContact CG1-CG2 4.11Å; V1111-I1121 HydrophobicContact CG2-CD1 4.31Å; V1111-I1121 HydrophobicContact CG2-CG2 4.45Å; V1111-L1166 HydrophobicContact CG2-CD1 3.67Å; V1111-V1196 HydrophobicContact CG2-CG1 3.74Å; V1111-Y1197 PolarHBondContact N-O 2.96Å; V1111-Y1197 VanDerWaalsContact O-O 3.05Å; V1111-V1198 CarbonylContact O-C 3.45Å; V1111-V1198 VanDerWaalsContact O-CA 3.3Å; V1111-V1198 WeakPolarHBondContact O-CA 3.27Å; V1111-E1199 PolarHBondContact O-N 3.05Å
1112P87.7Confident86.4Confident44.8 Ų44.858.6 Ų58.629%0.29134%0.335SS..EExtended strand (participates in β ladder)trans-66.5157.1171.220.1-23.2000111.7D1114 I1115 E1199 V1201P1112-D1114 VanDerWaalsContact C-N 3.31Å; P1112-D1114 WeakPolarHBondContact CB-OD1 3.44Å; P1112-D1114 PolarHBondContact O-N 3.03Å; P1112-I1115 HydrophobicContact CB-CG2 4.25Å; P1112-I1115 HydrophobicContact CG-CB 4.35Å; P1112-I1115 HydrophobicContact CG-CG2 4.35Å; P1112-I1115 WeakPolarHBondContact O-CB 3.19Å; P1112-I1115 WeakPolarHBondContact O-CG1 3.45Å; P1112-I1115 WeakPolarHBondContact O-CG2 3.28Å; P1112-I1115 PolarHBondContact O-N 2.96Å; P1112-E1199 CarbonylContact C-O 3.46Å; P1112-E1199 WeakPolarHBondContact CA-O 3.31Å; P1112-E1199 HydrophobicContact CB-CB 4.47Å; P1112-V1201 HydrophobicContact CB-CG2 4.11Å
1113E86.9Confident86.6Confident10.6 Ų10.662.2 Ų62.25%0.0535%0.352CS..THydrogen-bonded Turntrans-75.4-29.8-176.768.4-161.5112.900115.4I1115 L1166 D1167 R1168 V1198 E1199 D1200 V1201E1113-I1115 PolarHBondContact O-N 3.07Å; E1113-I1115 VanDerWaalsContact O-N 3.11Å; E1113-L1166 HydrophobicContact CB-CB 3.86Å; E1113-D1167 VanDerWaalsContact OE2-CA 3.24Å; E1113-D1167 WeakPolarHBondContact OE2-CA 3.4Å; E1113-D1167 PolarHBondContact OE2-N 3.49Å; E1113-R1168 HydrophobicContact CB-CB 4.49Å; E1113-R1168 VanDerWaalsContact CD-CB 3.47Å; E1113-R1168 VanDerWaalsContact OE1-CB 3.29Å; E1113-R1168 WeakPolarHBondContact OE1-CB 3.41Å; E1113-R1168 IonicContact OE1-NE 2.75Å; E1113-R1168 WeakPolarHBondContact OE2-CB 3.29Å; E1113-R1168 PolarHBondContact OE2-N 3.1Å; E1113-V1198 HydrophobicContact CB-CG1 3.67Å; E1113-E1199 VanDerWaalsContact CB-O 3.26Å; E1113-E1199 WeakPolarHBondContact CB-O 3.23Å; E1113-E1199 VanDerWaalsContact CG-O 3.23Å; E1113-E1199 WeakPolarHBondContact CG-O 2.91Å; E1113-E1199 PolarHBondContact N-O 2.93Å; E1113-E1199 VanDerWaalsContact N-O 3.14Å; E1113-D1200 VanDerWaalsContact OE1-C 3.32Å; E1113-D1200 WeakPolarHBondContact OE1-CA 3.33Å; E1113-V1201 HydrophobicContact CG-CB 4.08Å; E1113-V1201 HydrophobicContact CG-CG2 4.06Å; E1113-V1201 PolarHBondContact OE1-N 3Å
1114D85.9Confident87Confident109.4 Ų109.457.4 Ų57.459%0.58533%0.327SS*.THydrogen-bonded Turntrans-67.7-6176.284.5-32000113.7P1112 V1201P1112-D1114 VanDerWaalsContact C-N 3.31Å; P1112-D1114 WeakPolarHBondContact CB-OD1 3.44Å; P1112-D1114 PolarHBondContact O-N 3.03Å; D1114-V1201 HydrophobicContact CB-CB 4.18Å; D1114-V1201 HydrophobicContact CB-CG1 4Å; D1114-V1201 HydrophobicContact CB-CG2 4.29Å
1115I89.1Confident87.4Confident13.4 Ų13.457.8 Ų57.87%0.06933%0.327CS..PPolyproline II helixtrans-52.7128.6-171-179170.2000111.9V1111 P1112 E1113 H1119 R1161 L1166V1111-I1115 HydrophobicContact CB-CD1 3.82Å; V1111-I1115 HydrophobicContact CB-CG2 4.42Å; V1111-I1115 HydrophobicContact CG1-CD1 3.71Å; V1111-I1115 HydrophobicContact CG2-CD1 3.97Å; V1111-I1115 HydrophobicContact CG2-CG2 4.44Å; P1112-I1115 HydrophobicContact CB-CG2 4.25Å; P1112-I1115 HydrophobicContact CG-CB 4.35Å; P1112-I1115 HydrophobicContact CG-CG2 4.35Å; P1112-I1115 WeakPolarHBondContact O-CB 3.19Å; P1112-I1115 WeakPolarHBondContact O-CG1 3.45Å; P1112-I1115 WeakPolarHBondContact O-CG2 3.28Å; P1112-I1115 PolarHBondContact O-N 2.96Å; E1113-I1115 PolarHBondContact O-N 3.07Å; E1113-I1115 VanDerWaalsContact O-N 3.11Å; I1115-H1119 HydrophobicContact CD1-CB 3.91Å; I1115-H1119 HydrophobicContact CG1-CB 3.77Å; I1115-R1161 HydrophobicContact CD1-CB 3.8Å; I1115-R1161 HydrophobicContact CD1-CG 3.77Å; I1115-R1161 HydrophobicContact CG1-CB 4.34Å; I1115-R1161 HydrophobicContact CG1-CG 3.91Å; I1115-R1161 HydrophobicContact CG2-CB 4.17Å; I1115-R1161 HydrophobicContact CG2-CG 3.87Å; I1115-R1161 VanDerWaalsContact O-CD 3.27Å; I1115-R1161 WeakPolarHBondContact O-CD 3.06Å; I1115-R1161 PolarHBondContact O-NE 3.41Å; I1115-R1161 PolarHBondContact O-NH1 3Å; I1115-L1166 HydrophobicContact CD1-CD1 4.05Å; I1115-L1166 HydrophobicContact CG1-CD1 4.16Å; I1115-L1166 HydrophobicContact CG2-CD1 3.95Å
1116P86.8Confident87.8Confident78.8 Ų78.852.7 Ų52.751%0.51229%0.291SS..PPolyproline II helixtrans-64.3153.3-172.1-5.76.6000114G1118 H1119 R1161P1116-G1118 PolarHBondContact O-N 2.96Å; P1116-G1118 VanDerWaalsContact O-N 3.14Å; P1116-H1119 WeakPolarHBondContact O-CB 3.3Å; P1116-H1119 PolarHBondContact O-N 3.08Å; P1116-H1119 PolarHBondContact O-ND1 2.74Å; P1116-R1161 WeakPolarHBondContact O-CD 3.33Å
1117E87.5Confident87.7Confident114 Ų11453.7 Ų53.753%0.53330%0.296SS..THydrogen-bonded Turntrans-55.3129.7179.3175.9-179.9160.900111.9H1119 R1151E1117-H1119 VanDerWaalsContact C-N 3.32Å; E1117-H1119 PolarHBondContact O-N 2.85Å; E1117-R1151 VanDerWaalsContact CB-NH2 3.3Å; E1117-R1151 VanDerWaalsContact CG-NH2 3.33Å; E1117-R1151 IonicContact OE1-CZ 3.13Å; E1117-R1151 IonicContact OE1-NH1 3.37Å; E1117-R1151 PolarHBondContact OE1-NH1 2.99Å; E1117-R1151 IonicContact OE1-NH2 2.82Å; E1117-R1151 PolarHBondContact OE1-NH2 3Å; E1117-R1151 IonicContact OE2-NH2 2.91Å
1118G85.4Confident87.7Confident21.4 Ų21.454.4 Ų54.422%0.22130%0.301CS..THydrogen-bonded Turntrans84.44.1175.700000115.9P1116 S1120 R1151 R1161P1116-G1118 PolarHBondContact O-N 2.96Å; P1116-G1118 VanDerWaalsContact O-N 3.14Å; G1118-S1120 PolarHBondContact O-N 3.43Å; G1118-R1151 VanDerWaalsContact CA-CZ 3.47Å; G1118-R1151 PolarHBondContact O-NH2 3.02Å; G1118-R1161 VanDerWaalsContact CA-O 3.29Å; G1118-R1161 WeakPolarHBondContact CA-O 3.37Å; G1118-R1161 PolarHBondContact N-O 2.96Å; G1118-R1161 VanDerWaalsContact N-O 3.15Å
1119H88.9Confident87.4Confident99.8 Ų99.851.6 Ų51.646%0.46230%0.296SS..  trans-59.2142.2169-13185.8000111.3I1115 P1116 E1117 M1160 R1161I1115-H1119 HydrophobicContact CD1-CB 3.91Å; I1115-H1119 HydrophobicContact CG1-CB 3.77Å; P1116-H1119 WeakPolarHBondContact O-CB 3.3Å; P1116-H1119 PolarHBondContact O-N 3.08Å; P1116-H1119 PolarHBondContact O-ND1 2.74Å; E1117-H1119 VanDerWaalsContact C-N 3.32Å; E1117-H1119 PolarHBondContact O-N 2.85Å; H1119-M1160 CarbonylContact O-C 3.53Å; H1119-M1160 WeakPolarHBondContact O-CA 3.28Å; H1119-M1160 VanDerWaalsContact O-CB 3.26Å; H1119-M1160 WeakPolarHBondContact O-CB 3.28Å; H1119-R1161 HydrophobicContact CB-CB 4.31Å; H1119-R1161 PolarHBondContact O-N 2.93Å; H1119-R1161 VanDerWaalsContact O-N 3.16Å
1120S89.6Confident87.3Confident72 Ų7251.1 Ų51.150%0.50329%0.291SS..EExtended strand (participates in β ladder)trans-71.6137.9176.2-600000111.4G1118G1118-S1120 PolarHBondContact O-N 3.43Å
1121I90.6Very high87Confident26.4 Ų26.452.9 Ų52.914%0.13529%0.292CS..EExtended strand (participates in β ladder)trans-113.5-64179.5-58.6177.8000110.1A1109 V1111 F1150 L1159 R1161 V1196A1109-I1121 HydrophobicContact CB-CG2 3.75Å; V1111-I1121 HydrophobicContact CG1-CB 4.34Å; V1111-I1121 HydrophobicContact CG1-CG1 4.2Å; V1111-I1121 HydrophobicContact CG1-CG2 4.11Å; V1111-I1121 HydrophobicContact CG2-CD1 4.31Å; V1111-I1121 HydrophobicContact CG2-CG2 4.45Å; I1121-F1150 HydrophobicContact CD1-CD1 3.45Å; I1121-F1150 VanDerWaalsContact CD1-CD1 3.43Å; I1121-F1150 HydrophobicContact CD1-CE1 3.59Å; I1121-L1159 HydrophobicContact CB-CB 4.42Å; I1121-L1159 HydrophobicContact CB-CD2 4.35Å; I1121-L1159 HydrophobicContact CB-CG 4.45Å; I1121-L1159 HydrophobicContact CD1-CD2 4.4Å; I1121-L1159 HydrophobicContact CD1-CG 4.47Å; I1121-L1159 HydrophobicContact CG2-CD2 4.28Å; I1121-L1159 PolarHBondContact N-O 3.12Å; I1121-R1161 HydrophobicContact CD1-CB 4.13Å; I1121-V1196 HydrophobicContact CG2-CG1 4.13Å; I1121-V1196 HydrophobicContact CG2-CG2 4.2Å
1122V90.3Very high86.5Confident24 Ų2455.4 Ų55.415%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-148.2146.5-179.666.90000110.9Y1107 A1109 L1124 L1159 V1194Y1107-V1122 HydrophobicContact CD1-CG2 4.08Å; A1109-V1122 HydrophobicContact CB-CB 4.13Å; V1122-L1124 HydrophobicContact CG1-CD1 4.25Å; V1122-L1124 HydrophobicContact CG1-CD2 4.08Å; V1122-L1124 HydrophobicContact CG1-CG 4.44Å; V1122-L1124 HydrophobicContact CG2-CD2 4.31Å; V1122-L1124 PolarHBondContact O-N 3.13Å; V1122-L1159 HydrophobicContact CG1-CB 3.88Å; V1122-L1159 HydrophobicContact CG1-CD2 3.89Å; V1122-L1159 HydrophobicContact CG1-CG 4.49Å; V1122-L1159 PolarHBondContact N-O 2.78Å; V1122-L1159 WeakPolarHBondContact O-CA 3.42Å; V1122-L1159 VanDerWaalsContact O-CB 3.32Å; V1122-L1159 WeakPolarHBondContact O-CB 3.38Å; V1122-L1159 PolarHBondContact O-N 2.98Å; V1122-V1194 HydrophobicContact CG1-CG1 3.8Å
1123Q91Very high85.9Confident98.8 Ų98.858.2 Ų58.246%0.46233%0.329SS..EExtended strand (participates in β ladder)trans-103.3103.2-178.317756.582.900109.7Y1107 S1156 G1157 L1158Y1107-Q1123 WeakPolarHBondContact CE1-O 3.39Å; Q1123-S1156 PolarHBondContact NE2-O 3.21Å; Q1123-G1157 VanDerWaalsContact NE2-C 3.32Å; Q1123-L1158 HydrophobicContact CB-CD1 4.3Å
1124L90.4Very high85.4Confident0.2 Ų0.261.3 Ų61.30%0.00134%0.343CS..  trans-80.6147.5176.8-58.7142.1000110.1F1102 Y1107 V1122 Y1139 I1152 G1157 L1159 V1178 V1192 V1194F1102-L1124 HydrophobicContact CD1-CD2 4.2Å; F1102-L1124 HydrophobicContact CE1-CB 4.31Å; F1102-L1124 HydrophobicContact CE1-CD2 3.65Å; F1102-L1124 HydrophobicContact CZ-CD2 4.38Å; Y1107-L1124 HydrophobicContact CD1-CD2 3.66Å; Y1107-L1124 HydrophobicContact CD1-CG 4.2Å; Y1107-L1124 HydrophobicContact CD2-CD2 3.61Å; Y1107-L1124 VanDerWaalsContact CD2-CD2 3.42Å; Y1107-L1124 HydrophobicContact CD2-CG 4.12Å; Y1107-L1124 HydrophobicContact CE1-CB 4.38Å; Y1107-L1124 HydrophobicContact CE1-CD2 3.99Å; Y1107-L1124 HydrophobicContact CE1-CG 4.21Å; Y1107-L1124 HydrophobicContact CE2-CB 4.41Å; Y1107-L1124 HydrophobicContact CE2-CD2 3.87Å; Y1107-L1124 VanDerWaalsContact CE2-CD2 3.48Å; Y1107-L1124 HydrophobicContact CE2-CG 4.2Å; Y1107-L1124 HydrophobicContact CG-CD2 3.53Å; Y1107-L1124 HydrophobicContact CG-CG 4.21Å; V1122-L1124 HydrophobicContact CG1-CD1 4.25Å; V1122-L1124 HydrophobicContact CG1-CD2 4.08Å; V1122-L1124 HydrophobicContact CG1-CG 4.44Å; V1122-L1124 HydrophobicContact CG2-CD2 4.31Å; V1122-L1124 PolarHBondContact O-N 3.13Å; L1124-Y1139 HydrophobicContact CB-CD1 4.49Å; L1124-Y1139 HydrophobicContact CB-CE1 4.29Å; L1124-I1152 HydrophobicContact CD1-CD1 3.78Å; L1124-I1152 HydrophobicContact CD2-CD1 4.41Å; L1124-G1157 VanDerWaalsContact CB-O 3.26Å; L1124-G1157 WeakPolarHBondContact CB-O 3.32Å; L1124-G1157 VanDerWaalsContact CD1-O 3.24Å; L1124-G1157 WeakPolarHBondContact CD1-O 3.35Å; L1124-G1157 WeakPolarHBondContact CG-O 3.48Å; L1124-G1157 PolarHBondContact N-O 3.1Å; L1124-G1157 VanDerWaalsContact N-O 3.12Å; L1124-L1159 HydrophobicContact CD1-CB 4.18Å; L1124-V1178 HydrophobicContact CD1-CB 4.08Å; L1124-V1178 HydrophobicContact CD1-CG1 3.96Å; L1124-V1178 HydrophobicContact CD1-CG2 3.96Å; L1124-V1178 HydrophobicContact CD2-CB 3.92Å; L1124-V1178 HydrophobicContact CD2-CG1 3.8Å; L1124-V1178 HydrophobicContact CD2-CG2 4.27Å; L1124-V1192 HydrophobicContact CD2-CG1 3.85Å; L1124-V1194 HydrophobicContact CD1-CG2 4.07Å; L1124-V1194 HydrophobicContact CD2-CB 4.5Å; L1124-V1194 HydrophobicContact CD2-CG1 4.29Å; L1124-V1194 HydrophobicContact CD2-CG2 3.7Å; L1124-V1194 VanDerWaalsContact CD2-CG2 3.41Å; L1124-V1194 HydrophobicContact CG-CG2 4.35Å
1125K87.3Confident84.9Confident117.6 Ų117.657.1 Ų57.151%0.51133%0.325SS..  trans-144.5125.6175.7-172.7172.1173.4-169.50111.1F1102 L1103 Y1107F1102-K1125 WeakPolarHBondContact CA-O 3.22Å; L1103-K1125 HydrophobicContact CD1-CB 4.09Å; L1103-K1125 HydrophobicContact CD1-CD 3.63Å; L1103-K1125 HydrophobicContact CD1-CG 3.76Å; L1103-K1125 HydrophobicContact CG-CB 4.45Å; L1103-K1125 HydrophobicContact CG-CG 4.38Å; L1103-K1125 WeakPolarHBondContact CG-O 3.3Å; L1103-K1125 PolarHBondContact N-O 2.99Å; L1103-K1125 VanDerWaalsContact N-O 3.07Å; Y1107-K1125 PolarHBondContact OH-N 3.07Å; Y1107-K1125 VanDerWaalsContact OH-N 3.11Å; Y1107-K1125 PolarHBondContact OH-O 3.07Å; Y1107-K1125 VanDerWaalsContact OH-O 3.1Å
1126A86.1Confident84.6Confident6.4 Ų6.462 Ų625%0.05334%0.343CS..EExtended strand (participates in β ladder)trans-125.1157.8168.200000110.3P1100 I1101 F1102 V1137 Y1139 A1180P1100-A1126 HydrophobicContact CB-CB 4.3Å; I1101-A1126 CarbonylContact O-C 3.49Å; I1101-A1126 WeakPolarHBondContact O-CA 3.39Å; I1101-A1126 VanDerWaalsContact O-CB 3.3Å; I1101-A1126 WeakPolarHBondContact O-CB 3.26Å; F1102-A1126 HydrophobicContact CB-CB 4.46Å; F1102-A1126 HydrophobicContact CD1-CB 3.83Å; F1102-A1126 HydrophobicContact CD2-CB 4.4Å; F1102-A1126 HydrophobicContact CE1-CB 4.16Å; F1102-A1126 HydrophobicContact CG-CB 4Å; A1126-V1137 HydrophobicContact CB-CG1 4.09Å; A1126-Y1139 HydrophobicContact CB-CE1 4.03Å; A1126-Y1139 PolarHBondContact N-OH 3.02Å; A1126-Y1139 PolarHBondContact O-OH 3.11Å; A1126-Y1139 VanDerWaalsContact O-OH 3.09Å; A1126-A1180 HydrophobicContact CB-CB 3.76Å
1127T82.9Confident84.5Confident67.4 Ų67.459.3 Ų59.341%0.41332%0.324SS..EExtended strand (participates in β ladder)trans-130.4142.3178.246.60000109.7P1100 I1101 L1103P1100-T1127 CarbonylContact C-O 3.52Å; P1100-T1127 VanDerWaalsContact CA-O 3.31Å; P1100-T1127 WeakPolarHBondContact CA-O 3.46Å; I1101-T1127 WeakPolarHBondContact CG1-O 3.3Å; I1101-T1127 PolarHBondContact N-O 3.01Å; I1101-T1127 PolarHBondContact O-N 3.19Å; I1101-T1127 VanDerWaalsContact O-N 3.07Å; L1103-T1127 HydrophobicContact CD2-CG2 4.38Å
1128D84.8Confident84.5Confident27.2 Ų27.256.6 Ų56.615%0.14531%0.31CS..  trans-117.2160.8169.5-147.9-36.1000109.3N1098 R1099 P1100 D1130 V1137 N1182N1098-D1128 VanDerWaalsContact CB-OD1 3.26Å; N1098-D1128 WeakPolarHBondContact CB-OD1 3.38Å; R1099-D1128 VanDerWaalsContact C-CG 3.45Å; R1099-D1128 WeakPolarHBondContact CA-OD2 3.18Å; R1099-D1128 PolarHBondContact N-OD1 2.9Å; P1100-D1128 VanDerWaalsContact CA-OD2 3.31Å; P1100-D1128 WeakPolarHBondContact CA-OD2 2.97Å; P1100-D1128 HydrophobicContact CB-CB 4.46Å; P1100-D1128 WeakPolarHBondContact CD-OD2 3.33Å; P1100-D1128 HydrophobicContact CG-CB 4.36Å; P1100-D1128 VanDerWaalsContact CG-OD2 3.26Å; P1100-D1128 WeakPolarHBondContact CG-OD2 3.36Å; P1100-D1128 VanDerWaalsContact N-OD2 3.12Å; D1128-D1130 PolarHBondContact OD1-N 3.42Å; D1128-V1137 HydrophobicContact CB-CG2 3.87Å; D1128-V1137 VanDerWaalsContact N-CG2 3.31Å; D1128-N1182 WeakPolarHBondContact OD2-CB 3.4Å; D1128-N1182 PolarHBondContact OD2-ND2 2.82Å
1129A82.7Confident84.8Confident52.6 Ų52.656.2 Ų56.244%0.43530%0.302SS..  trans-104.2-27.7-17300000113.7R1060 E1061 N1098R1060-A1129 PolarHBondContact NH2-O 2.99Å; E1061-A1129 HydrophobicContact CB-CB 4.13Å; E1061-A1129 HydrophobicContact CG-CB 3.76Å; E1061-A1129 VanDerWaalsContact CG-CB 3.48Å; N1098-A1129 HydrophobicContact CB-CB 4.22Å
1130D84.5Confident84.8Confident9.4 Ų9.455 Ų555%0.0529%0.293CS..SBendtrans-54.5165.6178.7-56.1-16.3000113.2R1060 E1061 D1094 N1096 D1097 N1098 D1128 F1134 G1135R1060-D1130 VanDerWaalsContact NH2-C 3.26Å; E1061-D1130 WeakPolarHBondContact OE1-CA 3.29Å; D1094-D1130 WeakPolarHBondContact OD1-CA 3.35Å; N1096-D1130 VanDerWaalsContact CA-OD2 3.29Å; N1096-D1130 WeakPolarHBondContact CA-OD2 3.35Å; N1096-D1130 PolarHBondContact ND2-OD2 3.02Å; N1096-D1130 PolarHBondContact OD1-OD2 3.45Å; D1097-D1130 PolarHBondContact N-OD1 3.18Å; D1097-D1130 PolarHBondContact N-OD2 3.49Å; N1098-D1130 WeakPolarHBondContact CA-OD1 3.45Å; N1098-D1130 WeakPolarHBondContact CB-OD1 3.39Å; N1098-D1130 PolarHBondContact N-OD1 3.01Å; N1098-D1130 VanDerWaalsContact N-OD1 3.1Å; N1098-D1130 PolarHBondContact N-OD2 2.84Å; N1098-D1130 PolarHBondContact ND2-OD1 2.87Å; D1128-D1130 PolarHBondContact OD1-N 3.42Å; D1130-F1134 VanDerWaalsContact CB-C 3.42Å; D1130-F1134 HydrophobicContact CB-CB 3.65Å; D1130-F1134 VanDerWaalsContact CB-CB 3.41Å; D1130-F1134 WeakPolarHBondContact CB-O 3.29Å; D1130-G1135 VanDerWaalsContact C-CA 3.43Å; D1130-G1135 WeakPolarHBondContact O-CA 3.27Å; D1130-G1135 PolarHBondContact O-N 2.94Å
1131E79.7Confident84.9Confident106.4 Ų106.453.2 Ų53.250%0.49728%0.277SS..SBendtrans-86.8155.6-179-135.9-178.9143.400114.5R1060 D1094 E1133 F1134 G1135R1060-E1131 WeakPolarHBondContact CD-OE2 3.46Å; R1060-E1131 IonicContact CZ-OE2 3.53Å; R1060-E1131 IonicContact NE-OE2 2.79Å; R1060-E1131 VanDerWaalsContact NH1-CD 3.34Å; R1060-E1131 VanDerWaalsContact NH1-CG 3.3Å; R1060-E1131 IonicContact NH1-OE2 3.29Å; R1060-E1131 PolarHBondContact NH1-OE2 3.14Å; R1060-E1131 IonicContact NH2-OE2 3.89Å; R1060-E1131 PolarHBondContact NH2-OE2 2.81Å; D1094-E1131 HydrophobicContact CB-CB 3.99Å; D1094-E1131 VanDerWaalsContact CG-CB 3.42Å; D1094-E1131 VanDerWaalsContact CG-N 3.31Å; D1094-E1131 WeakPolarHBondContact OD1-CB 3.35Å; D1094-E1131 PolarHBondContact OD1-N 3Å; D1094-E1131 WeakPolarHBondContact OD2-CA 3.33Å; D1094-E1131 VanDerWaalsContact OD2-CB 3.27Å; D1094-E1131 WeakPolarHBondContact OD2-CB 3.34Å; D1094-E1131 PolarHBondContact OD2-N 3.1Å; D1094-E1131 VanDerWaalsContact OD2-O 3.04Å; E1131-E1133 PolarHBondContact O-N 3.14Å; E1131-E1133 VanDerWaalsContact O-N 3.1Å; E1131-F1134 CarbonylContact O-C 3.39Å; E1131-F1134 WeakPolarHBondContact O-CA 3.11Å; E1131-F1134 PolarHBondContact O-N 3.02Å; E1131-G1135 PolarHBondContact O-N 2.97Å; E1131-G1135 VanDerWaalsContact O-N 3.09Å
1132G79.3Confident84.7Confident62 Ų6255.2 Ų55.264%0.63929%0.288SS*.THydrogen-bonded Turntrans62.5-110.8162.800000115.7F1134 R1136G1132-F1134 VanDerWaalsContact C-N 3.32Å; G1132-R1136 PolarHBondContact O-NH2 3.07Å
1133E74.9Confident84.4Confident104.4 Ų104.459.4 Ų59.449%0.48831%0.306SS..THydrogen-bonded Turntrans-93.4-17177.9-68.2-73.8137.100112.6E1131 R1136 W1138E1131-E1133 PolarHBondContact O-N 3.14Å; E1131-E1133 VanDerWaalsContact O-N 3.1Å; E1133-R1136 VanDerWaalsContact CD-CD 3.46Å; E1133-R1136 VanDerWaalsContact O-CB 3.31Å; E1133-R1136 WeakPolarHBondContact O-CB 3.33Å; E1133-R1136 PolarHBondContact O-N 3.13Å; E1133-R1136 VanDerWaalsContact OE1-CD 3.29Å; E1133-R1136 WeakPolarHBondContact OE1-CD 3.2Å; E1133-R1136 IonicContact OE1-CZ 3.16Å; E1133-R1136 IonicContact OE1-NE 3.09Å; E1133-R1136 IonicContact OE1-NH1 2.84Å; E1133-R1136 PolarHBondContact OE1-NH1 3.02Å; E1133-R1136 IonicContact OE1-NH2 2.67Å; E1133-R1136 PolarHBondContact OE1-NH2 3Å; E1133-R1136 WeakPolarHBondContact OE2-CD 3.37Å; E1133-R1136 IonicContact OE2-CZ 3.55Å; E1133-R1136 IonicContact OE2-NE 3.14Å; E1133-R1136 IonicContact OE2-NH1 2.79Å; E1133-R1136 PolarHBondContact OE2-NH1 2.94Å; E1133-R1136 IonicContact OE2-NH2 3.11Å; E1133-W1138 HydrophobicContact CB-CH2 4.36Å; E1133-W1138 WeakPolarHBondContact O-CH2 3.1Å; E1133-W1138 VanDerWaalsContact O-CZ3 3.31Å; E1133-W1138 WeakPolarHBondContact O-CZ3 3.19Å; E1133-W1138 WeakPolarHBondContact OE2-CH2 3.17Å; E1133-W1138 WeakPolarHBondContact OE2-CZ2 3.12Å
1134F75.7Confident84.1Confident76.2 Ų76.255.6 Ų55.633%0.33429%0.293SS..THydrogen-bonded Turntrans-75.6-38.7171.5-62.8-35000110.4D1094 N1096 D1130 E1131 G1132 R1136 N1182 H1183D1094-F1134 HydrophobicContact CB-CD2 4.41Å; D1094-F1134 VanDerWaalsContact O-CE2 3.29Å; D1094-F1134 WeakPolarHBondContact O-CE2 3.31Å; D1094-F1134 WeakPolarHBondContact OD2-CD2 3.26Å; N1096-F1134 HydrophobicContact CB-CB 4.05Å; N1096-F1134 HydrophobicContact CB-CD1 3.77Å; N1096-F1134 HydrophobicContact CB-CD2 4.04Å; N1096-F1134 HydrophobicContact CB-CE1 4.12Å; N1096-F1134 HydrophobicContact CB-CE2 4.18Å; N1096-F1134 HydrophobicContact CB-CG 3.75Å; N1096-F1134 HydrophobicContact CB-CZ 4.29Å; N1096-F1134 WeakPolarHBondContact OD1-CA 3.35Å; N1096-F1134 VanDerWaalsContact OD1-CB 3.23Å; N1096-F1134 WeakPolarHBondContact OD1-CB 3.39Å; N1096-F1134 VanDerWaalsContact OD1-CD1 3.26Å; N1096-F1134 WeakPolarHBondContact OD1-CD1 3.26Å; N1096-F1134 VanDerWaalsContact OD1-CG 3.24Å; N1096-F1134 WeakPolarHBondContact OD1-CG 2.94Å; D1130-F1134 VanDerWaalsContact CB-C 3.42Å; D1130-F1134 HydrophobicContact CB-CB 3.65Å; D1130-F1134 VanDerWaalsContact CB-CB 3.41Å; D1130-F1134 WeakPolarHBondContact CB-O 3.29Å; E1131-F1134 CarbonylContact O-C 3.39Å; E1131-F1134 WeakPolarHBondContact O-CA 3.11Å; E1131-F1134 PolarHBondContact O-N 3.02Å; G1132-F1134 VanDerWaalsContact C-N 3.32Å; F1134-R1136 VanDerWaalsContact C-N 3.26Å; F1134-R1136 PolarHBondContact O-N 3.1Å; F1134-R1136 VanDerWaalsContact O-N 3.14Å; F1134-N1182 VanDerWaalsContact O-CB 3.29Å; F1134-N1182 WeakPolarHBondContact O-CB 3.33Å; F1134-N1182 PolarHBondContact O-ND2 3.09Å; F1134-H1183 HydrophobicContact CD1-CB 4.05Å; F1134-H1183 HydrophobicContact CE1-CB 4.12Å
1135G75.9Confident84Confident20.8 Ų20.856.8 Ų56.821%0.21430%0.3CS..SBendtrans-69.50.8171.400000115.7D1130 E1131 V1137D1130-G1135 VanDerWaalsContact C-CA 3.43Å; D1130-G1135 WeakPolarHBondContact O-CA 3.27Å; D1130-G1135 PolarHBondContact O-N 2.94Å; E1131-G1135 PolarHBondContact O-N 2.97Å; E1131-G1135 VanDerWaalsContact O-N 3.09Å; G1135-V1137 PolarHBondContact O-N 2.9Å; G1135-V1137 VanDerWaalsContact O-N 3.14Å
1136R82.9Confident83.5Confident116.2 Ų116.258.5 Ų58.544%0.43831%0.309SS..  trans-92.4101.7-169.5-169.3173.8-157.9171.69.2112.1G1132 E1133 F1134 W1138 N1182G1132-R1136 PolarHBondContact O-NH2 3.07Å; E1133-R1136 VanDerWaalsContact CD-CD 3.46Å; E1133-R1136 VanDerWaalsContact O-CB 3.31Å; E1133-R1136 WeakPolarHBondContact O-CB 3.33Å; E1133-R1136 PolarHBondContact O-N 3.13Å; E1133-R1136 VanDerWaalsContact OE1-CD 3.29Å; E1133-R1136 WeakPolarHBondContact OE1-CD 3.2Å; E1133-R1136 IonicContact OE1-CZ 3.16Å; E1133-R1136 IonicContact OE1-NE 3.09Å; E1133-R1136 IonicContact OE1-NH1 2.84Å; E1133-R1136 PolarHBondContact OE1-NH1 3.02Å; E1133-R1136 IonicContact OE1-NH2 2.67Å; E1133-R1136 PolarHBondContact OE1-NH2 3Å; E1133-R1136 WeakPolarHBondContact OE2-CD 3.37Å; E1133-R1136 IonicContact OE2-CZ 3.55Å; E1133-R1136 IonicContact OE2-NE 3.14Å; E1133-R1136 IonicContact OE2-NH1 2.79Å; E1133-R1136 PolarHBondContact OE2-NH1 2.94Å; E1133-R1136 IonicContact OE2-NH2 3.11Å; F1134-R1136 VanDerWaalsContact C-N 3.26Å; F1134-R1136 PolarHBondContact O-N 3.1Å; F1134-R1136 VanDerWaalsContact O-N 3.14Å; R1136-W1138 HydrophobicContact CB-CH2 4Å; R1136-W1138 HydrophobicContact CB-CZ2 4.35Å; R1136-W1138 HydrophobicContact CB-CZ3 4.13Å; R1136-W1138 HydrophobicContact CG-CD2 4.47Å; R1136-W1138 HydrophobicContact CG-CH2 4.18Å; R1136-W1138 HydrophobicContact CG-CZ2 4.14Å; R1136-W1138 HydrophobicContact CG-CZ3 4.47Å; R1136-W1138 VanDerWaalsContact CZ-CZ2 3.41Å; R1136-W1138 VanDerWaalsContact NE-CZ2 3.28Å; R1136-W1138 VanDerWaalsContact NH2-CH2 3.34Å; R1136-W1138 WeakPolarHBondContact O-CZ3 3.45Å; R1136-W1138 PolarHBondContact O-N 2.85Å; R1136-W1138 PolarHBondContact O-NE1 2.97Å; R1136-N1182 WeakPolarHBondContact O-CA 3.36Å; R1136-N1182 WeakPolarHBondContact O-CB 3.49Å
1137V85.1Confident83Confident21.6 Ų21.659.3 Ų59.313%0.13132%0.318CS..  trans-74.5121.3179.6-171.70000113P1100 A1126 D1128 G1135 Y1139 A1180P1100-V1137 HydrophobicContact CB-CB 4.46Å; P1100-V1137 HydrophobicContact CB-CG1 3.91Å; P1100-V1137 HydrophobicContact CB-CG2 3.91Å; P1100-V1137 HydrophobicContact CG-CG1 4.27Å; P1100-V1137 HydrophobicContact CG-CG2 4.15Å; A1126-V1137 HydrophobicContact CB-CG1 4.09Å; D1128-V1137 HydrophobicContact CB-CG2 3.87Å; D1128-V1137 VanDerWaalsContact N-CG2 3.31Å; G1135-V1137 PolarHBondContact O-N 2.9Å; G1135-V1137 VanDerWaalsContact O-N 3.14Å; V1137-Y1139 HydrophobicContact CB-CE2 4.13Å; V1137-Y1139 HydrophobicContact CG1-CD1 4.41Å; V1137-Y1139 HydrophobicContact CG1-CD2 4.16Å; V1137-Y1139 HydrophobicContact CG1-CE1 4.09Å; V1137-Y1139 HydrophobicContact CG1-CE2 3.9Å; V1137-Y1139 VanDerWaalsContact CG1-CE2 3.45Å; V1137-Y1139 HydrophobicContact CG1-CG 4.46Å; V1137-Y1139 VanDerWaalsContact CG1-CZ 3.43Å; V1137-A1180 HydrophobicContact CG1-CB 3.83Å
1138W87.2Confident83.2Confident58 Ų5860.7 Ų60.722%0.2232%0.323CS..EExtended strand (participates in β ladder)trans-107.6155.5165.1-63-47.1000111.5E1133 R1136 V1154 A1180 Y1181 N1182 H1183E1133-W1138 HydrophobicContact CB-CH2 4.36Å; E1133-W1138 WeakPolarHBondContact O-CH2 3.1Å; E1133-W1138 VanDerWaalsContact O-CZ3 3.31Å; E1133-W1138 WeakPolarHBondContact O-CZ3 3.19Å; E1133-W1138 WeakPolarHBondContact OE2-CH2 3.17Å; E1133-W1138 WeakPolarHBondContact OE2-CZ2 3.12Å; R1136-W1138 HydrophobicContact CB-CH2 4Å; R1136-W1138 HydrophobicContact CB-CZ2 4.35Å; R1136-W1138 HydrophobicContact CB-CZ3 4.13Å; R1136-W1138 HydrophobicContact CG-CD2 4.47Å; R1136-W1138 HydrophobicContact CG-CH2 4.18Å; R1136-W1138 HydrophobicContact CG-CZ2 4.14Å; R1136-W1138 HydrophobicContact CG-CZ3 4.47Å; R1136-W1138 VanDerWaalsContact CZ-CZ2 3.41Å; R1136-W1138 VanDerWaalsContact NE-CZ2 3.28Å; R1136-W1138 VanDerWaalsContact NH2-CH2 3.34Å; R1136-W1138 WeakPolarHBondContact O-CZ3 3.45Å; R1136-W1138 PolarHBondContact O-N 2.85Å; R1136-W1138 PolarHBondContact O-NE1 2.97Å; W1138-V1154 CarbonylContact C-O 3.39Å; W1138-V1154 VanDerWaalsContact CA-O 3.25Å; W1138-V1154 WeakPolarHBondContact CA-O 3.29Å; W1138-V1154 HydrophobicContact CB-CG1 4.12Å; W1138-V1154 HydrophobicContact CB-CG2 4.08Å; W1138-V1154 HydrophobicContact CD2-CG2 4.34Å; W1138-V1154 HydrophobicContact CE3-CB 4.33Å; W1138-V1154 HydrophobicContact CE3-CG1 3.93Å; W1138-V1154 HydrophobicContact CE3-CG2 3.79Å; W1138-V1154 HydrophobicContact CG-CG1 4.25Å; W1138-V1154 HydrophobicContact CG-CG2 4.36Å; W1138-V1154 HydrophobicContact CZ3-CG1 3.98Å; W1138-A1180 CarbonylContact O-C 3.55Å; W1138-A1180 VanDerWaalsContact O-CA 3.31Å; W1138-A1180 WeakPolarHBondContact O-CA 3.29Å; W1138-Y1181 WeakPolarHBondContact CA-O 3.35Å; W1138-Y1181 HydrophobicContact CB-CD1 4.18Å; W1138-Y1181 HydrophobicContact CB-CD2 4.33Å; W1138-Y1181 HydrophobicContact CB-CE1 3.68Å; W1138-Y1181 VanDerWaalsContact CB-CE1 3.45Å; W1138-Y1181 HydrophobicContact CB-CE2 3.94Å; W1138-Y1181 HydrophobicContact CB-CG 4.45Å; W1138-Y1181 VanDerWaalsContact CB-CZ 3.47Å; W1138-Y1181 WeakPolarHBondContact CB-O 3.38Å; W1138-Y1181 HydrophobicContact CD2-CE2 4.37Å; W1138-Y1181 HydrophobicContact CE3-CD2 4.23Å; W1138-Y1181 AromaticContact CE3-CE2 3.85Å; W1138-Y1181 HydrophobicContact CE3-CE2 3.85Å; W1138-Y1181 HydrophobicContact CG-CE2 4.39Å; W1138-Y1181 PolarHBondContact N-O 2.99Å; W1138-Y1181 VanDerWaalsContact O-CD1 3.28Å; W1138-Y1181 WeakPolarHBondContact O-CD1 3.35Å; W1138-Y1181 PolarHBondContact O-N 3.28Å; W1138-Y1181 VanDerWaalsContact O-O 3.13Å; W1138-N1182 VanDerWaalsContact CZ3-O 3.31Å; W1138-N1182 WeakPolarHBondContact CZ3-O 3.2Å; W1138-N1182 PolarHBondContact NE1-O 3.44Å; W1138-N1182 VanDerWaalsContact NE1-O 3.1Å; W1138-H1183 HydrophobicContact CH2-CB 4.45Å; W1138-H1183 AromaticContact CH2-CE1 3.83Å; W1138-H1183 AromaticContact CH2-ND1 3.43Å; W1138-H1183 WeakPolarHBondContact CH2-ND1 3.35Å; W1138-H1183 AromaticContact CZ2-ND1 3.62Å; W1138-H1183 HydrophobicContact CZ3-CB 3.94Å; W1138-H1183 AromaticContact CZ3-ND1 3.91Å
1139Y90.4Very high83.4Confident13.4 Ų13.460.2 Ų60.25%0.05332%0.32CS..EExtended strand (participates in β ladder)trans-124.3135.9-176.5-55.5-97.1000111.8F1102 L1124 A1126 V1137 I1152 V1154 G1157 E1179 A1180F1102-Y1139 HydrophobicContact CD1-CE1 4.45Å; F1102-Y1139 AromaticContact CE1-CD1 3.83Å; F1102-Y1139 HydrophobicContact CE1-CD1 4.01Å; F1102-Y1139 AromaticContact CE1-CE1 3.9Å; F1102-Y1139 HydrophobicContact CE1-CE1 3.9Å; F1102-Y1139 HydrophobicContact CZ-CD1 4.33Å; F1102-Y1139 HydrophobicContact CZ-CE1 4.44Å; L1124-Y1139 HydrophobicContact CB-CD1 4.49Å; L1124-Y1139 HydrophobicContact CB-CE1 4.29Å; A1126-Y1139 HydrophobicContact CB-CE1 4.03Å; A1126-Y1139 PolarHBondContact N-OH 3.02Å; A1126-Y1139 PolarHBondContact O-OH 3.11Å; A1126-Y1139 VanDerWaalsContact O-OH 3.09Å; V1137-Y1139 HydrophobicContact CB-CE2 4.13Å; V1137-Y1139 HydrophobicContact CG1-CD1 4.41Å; V1137-Y1139 HydrophobicContact CG1-CD2 4.16Å; V1137-Y1139 HydrophobicContact CG1-CE1 4.09Å; V1137-Y1139 HydrophobicContact CG1-CE2 3.9Å; V1137-Y1139 VanDerWaalsContact CG1-CE2 3.45Å; V1137-Y1139 HydrophobicContact CG1-CG 4.46Å; V1137-Y1139 VanDerWaalsContact CG1-CZ 3.43Å; Y1139-I1152 HydrophobicContact CD1-CD1 4.35Å; Y1139-I1152 HydrophobicContact CG-CD1 4.39Å; Y1139-I1152 VanDerWaalsContact O-CG2 3.26Å; Y1139-I1152 WeakPolarHBondContact O-CG2 3.43Å; Y1139-V1154 WeakPolarHBondContact CD2-O 3.29Å; Y1139-V1154 PolarHBondContact N-O 2.99Å; Y1139-V1154 WeakPolarHBondContact O-CA 3.32Å; Y1139-G1157 VanDerWaalsContact CD2-CA 3.44Å; Y1139-G1157 VanDerWaalsContact CD2-N 3.33Å; Y1139-G1157 VanDerWaalsContact CE2-N 3.35Å; Y1139-G1157 VanDerWaalsContact CG-CA 3.44Å; Y1139-E1179 CarbonylContact C-O 3.57Å; Y1139-E1179 VanDerWaalsContact CA-O 3.31Å; Y1139-E1179 WeakPolarHBondContact CA-O 3.33Å; Y1139-A1180 HydrophobicContact CD1-CB 4.21Å; Y1139-A1180 HydrophobicContact CE1-CB 4.24Å
1140R90.2Very high83.8Confident73.6 Ų73.657.8 Ų57.828%0.27830%0.3SS..EExtended strand (participates in β ladder)trans-143153.6171.266.2-174.4176.9-153.2-4.5112.1V1178 E1179 Y1181 D1184 L1185R1140-V1178 CarbonylContact O-C 3.55Å; R1140-V1178 WeakPolarHBondContact O-CA 3.29Å; R1140-V1178 WeakPolarHBondContact O-CG1 3.08Å; R1140-E1179 HydrophobicContact CG-CB 4.33Å; R1140-E1179 IonicContact CZ-OE2 2.96Å; R1140-E1179 PolarHBondContact N-O 2.96Å; R1140-E1179 IonicContact NE-OE2 3.34Å; R1140-E1179 PolarHBondContact NE-OE2 3.28Å; R1140-E1179 IonicContact NH2-OE1 3.64Å; R1140-E1179 IonicContact NH2-OE2 3Å; R1140-E1179 PolarHBondContact NH2-OE2 3.04Å; R1140-E1179 PolarHBondContact O-N 3.2Å; R1140-Y1181 HydrophobicContact CB-CD1 4.42Å; R1140-Y1181 HydrophobicContact CB-CE1 3.84Å; R1140-Y1181 HydrophobicContact CG-CD1 4.01Å; R1140-Y1181 HydrophobicContact CG-CE1 3.65Å; R1140-D1184 IonicContact CZ-OD1 2.71Å; R1140-D1184 IonicContact NH1-OD1 3.56Å; R1140-D1184 PolarHBondContact NH1-OD1 3.01Å; R1140-L1185 VanDerWaalsContact NH1-CD2 3.26Å
1141I90.8Very high84.1Confident33.6 Ų33.661.6 Ų61.617%0.17231%0.314CS..EExtended strand (participates in β ladder)trans-89.8118.7173.4-48.4169.7000108H1143 N1145 F1150 I1152 L1159 L1176 M1177 V1178I1141-H1143 WeakPolarHBondContact CG2-O 3.24Å; I1141-N1145 HydrophobicContact CB-CB 4.2Å; I1141-N1145 HydrophobicContact CD1-CB 4.24Å; I1141-N1145 HydrophobicContact CG1-CB 4.48Å; I1141-N1145 HydrophobicContact CG2-CB 3.85Å; I1141-F1150 HydrophobicContact CD1-CB 4.16Å; I1141-I1152 HydrophobicContact CD1-CB 4.31Å; I1141-I1152 HydrophobicContact CD1-CG2 4.3Å; I1141-I1152 HydrophobicContact CG1-CB 4.15Å; I1141-I1152 HydrophobicContact CG1-CG2 3.84Å; I1141-L1159 HydrophobicContact CD1-CD1 3.77Å; I1141-L1159 VanDerWaalsContact CD1-CD1 3.4Å; I1141-L1159 HydrophobicContact CG1-CD1 4.4Å; I1141-L1176 HydrophobicContact CD1-CD1 4.38Å; I1141-L1176 HydrophobicContact CG2-CB 4.16Å; I1141-L1176 HydrophobicContact CG2-CD2 4.42Å; I1141-M1177 CarbonylContact C-O 3.33Å; I1141-M1177 WeakPolarHBondContact CG2-O 3.17Å; I1141-V1178 HydrophobicContact CG1-CG2 4.25Å; I1141-V1178 HydrophobicContact CG2-CG2 4.24Å
1142L86.1Confident84.8Confident69.4 Ų69.457.8 Ų57.836%0.36330%0.297SS..EExtended strand (participates in β ladder)trans-78-49.8178.6-78.7175.6000112.2M1177 E1179L1142-M1177 HydrophobicContact CB-CB 4.36Å; L1142-M1177 HydrophobicContact CB-CG 4.3Å; L1142-M1177 WeakPolarHBondContact CB-O 3.41Å; L1142-M1177 HydrophobicContact CD1-CG 4.2Å; L1142-M1177 PolarHBondContact N-O 3.04Å; L1142-E1179 HydrophobicContact CD1-CB 3.72Å; L1142-E1179 HydrophobicContact CD1-CG 4.14Å; L1142-E1179 WeakPolarHBondContact CD1-OE1 3.41Å; L1142-E1179 HydrophobicContact CD2-CB 4.35Å; L1142-E1179 WeakPolarHBondContact CD2-OE1 3.38Å; L1142-E1179 WeakPolarHBondContact CD2-OE2 3.41Å; L1142-E1179 HydrophobicContact CG-CB 3.73Å; L1142-E1179 HydrophobicContact CG-CG 4.32Å
1143H85.5Confident85.3Confident112.2 Ų112.259.5 Ų59.552%0.51929%0.288SS..EExtended strand (participates in β ladder)trans-147.2166.5-171.4-12.3-59.4000111.2I1141 N1145 L1176 M1177I1141-H1143 WeakPolarHBondContact CG2-O 3.24Å; H1143-N1145 VanDerWaalsContact C-N 3.31Å; H1143-N1145 PolarHBondContact O-N 3.14Å; H1143-L1176 WeakPolarHBondContact O-CA 3.48Å; H1143-M1177 HydrophobicContact CB-CB 3.99Å; H1143-M1177 WeakPolarHBondContact CE1-CB 3.39Å; H1143-M1177 WeakPolarHBondContact CE1-CG 3.49Å; H1143-M1177 PolarHBondContact N-O 2.84Å; H1143-M1177 VanDerWaalsContact NE2-CB 3.28Å; H1143-M1177 WeakPolarHBondContact NE2-CB 3.32Å; H1143-M1177 WeakPolarHBondContact NE2-CG 3.27Å; H1143-M1177 PolarHBondContact O-N 3.21Å; H1143-M1177 VanDerWaalsContact O-N 3.11Å
1144G83.2Confident85.9Confident19.4 Ų19.457.8 Ų57.820%0.228%0.284CS..SBendtrans87.7-25.3-179.100000114.9H1146 H1174 V1175G1144-H1146 VanDerWaalsContact C-N 3.32Å; G1144-H1146 PolarHBondContact N-CD2 2.81Å; G1144-H1146 PolarHBondContact N-NE2 3.17Å; G1144-H1146 PolarHBondContact O-CD2 3.06Å; G1144-H1146 VanDerWaalsContact O-CD2 3.25Å; G1144-H1146 PolarHBondContact O-N 3.08Å; G1144-H1146 PolarHBondContact O-ND1 2.75Å; G1144-H1174 PolarHBondContact O-ND1 2.85Å; G1144-V1175 WeakPolarHBondContact CA-O 3.25Å
1145N88.5Confident86.4Confident25.6 Ų25.656.5 Ų56.514%0.13729%0.292CS..  trans-84.344.7179.8-16824000113.6I1141 H1143 G1147 N1148 N1149 F1150 L1176I1141-N1145 HydrophobicContact CB-CB 4.2Å; I1141-N1145 HydrophobicContact CD1-CB 4.24Å; I1141-N1145 HydrophobicContact CG1-CB 4.48Å; I1141-N1145 HydrophobicContact CG2-CB 3.85Å; H1143-N1145 VanDerWaalsContact C-N 3.31Å; H1143-N1145 PolarHBondContact O-N 3.14Å; N1145-G1147 PolarHBondContact O-N 3.05Å; N1145-G1147 VanDerWaalsContact O-N 3.13Å; N1145-N1148 PolarHBondContact ND2-OD1 2.76Å; N1145-N1148 PolarHBondContact O-N 3.2Å; N1145-N1148 VanDerWaalsContact O-N 3.16Å; N1145-N1148 WeakPolarHBondContact OD1-CA 3.24Å; N1145-N1149 PolarHBondContact OD1-N 3.1Å; N1145-N1149 VanDerWaalsContact OD1-N 3.09Å; N1145-F1150 PolarHBondContact ND2-O 3.11Å; N1145-F1150 WeakPolarHBondContact OD1-CD2 2.97Å; N1145-F1150 PolarHBondContact OD1-N 2.98Å; N1145-F1150 PolarHBondContact OD1-O 3.02Å; N1145-L1176 HydrophobicContact CB-CD2 4.13Å
1146H76.8Confident86.9Confident153.2 Ų153.257.7 Ų57.771%0.70930%0.297SS*.THydrogen-bonded Turntrans-6216.4-173.9-64.9-104.2000112.6G1144 N1148 N1149G1144-H1146 VanDerWaalsContact C-N 3.32Å; G1144-H1146 PolarHBondContact N-CD2 2.81Å; G1144-H1146 PolarHBondContact N-NE2 3.17Å; G1144-H1146 PolarHBondContact O-CD2 3.06Å; G1144-H1146 VanDerWaalsContact O-CD2 3.25Å; G1144-H1146 PolarHBondContact O-N 3.08Å; G1144-H1146 PolarHBondContact O-ND1 2.75Å; H1146-N1148 PolarHBondContact O-N 2.93Å; H1146-N1149 VanDerWaalsContact O-CG 3.29Å; H1146-N1149 PolarHBondContact O-N 2.99Å; H1146-N1149 PolarHBondContact O-OD1 3.19Å
1147G76.8Confident87.2Confident23.6 Ų23.652.2 Ų52.224%0.24328%0.277CS..THydrogen-bonded Turntrans-87.8-5.2177.400000115.8N1145 N1149 R1164N1145-G1147 PolarHBondContact O-N 3.05Å; N1145-G1147 VanDerWaalsContact O-N 3.13Å; G1147-N1149 VanDerWaalsContact C-N 3.29Å; G1147-N1149 VanDerWaalsContact CA-OD1 3.26Å; G1147-N1149 WeakPolarHBondContact CA-OD1 3.31Å; G1147-R1164 WeakPolarHBondContact O-CB 3.22Å; G1147-R1164 VanDerWaalsContact O-CD 3.24Å; G1147-R1164 WeakPolarHBondContact O-CD 3.27Å; G1147-R1164 VanDerWaalsContact O-CG 3.32Å; G1147-R1164 WeakPolarHBondContact O-CG 3.23Å; G1147-R1164 PolarHBondContact O-NE 2.88Å; G1147-R1164 PolarHBondContact O-NH1 2.77Å; G1147-R1164 VanDerWaalsContact O-NH1 3.13Å
1148N86.5Confident87.6Confident96 Ų9653 Ų5351%0.51328%0.28SS..  trans56.840.8-162-59.2-45.8000112.5N1145 H1146 F1150 G1162 P1163 R1164N1145-N1148 PolarHBondContact ND2-OD1 2.76Å; N1145-N1148 PolarHBondContact O-N 3.2Å; N1145-N1148 VanDerWaalsContact O-N 3.16Å; N1145-N1148 WeakPolarHBondContact OD1-CA 3.24Å; H1146-N1148 PolarHBondContact O-N 2.93Å; N1148-F1150 CarbonylContact C-O 3.3Å; N1148-F1150 PolarHBondContact O-N 3.02Å; N1148-G1162 CarbonylContact O-C 3.58Å; N1148-G1162 WeakPolarHBondContact O-CA 3.42Å; N1148-P1163 HydrophobicContact CB-CG 4.14Å; N1148-P1163 VanDerWaalsContact O-CD 3.29Å; N1148-P1163 WeakPolarHBondContact O-CD 3.28Å; N1148-R1164 PolarHBondContact O-N 3.2Å
1149N88.4Confident87.9Confident17 Ų1750.3 Ų50.39%0.09127%0.27CS..  trans-66.4-20171-64.359.3000111.8N1145 H1146 G1147 G1162 R1164 P1165 L1166 H1174N1145-N1149 PolarHBondContact OD1-N 3.1Å; N1145-N1149 VanDerWaalsContact OD1-N 3.09Å; H1146-N1149 VanDerWaalsContact O-CG 3.29Å; H1146-N1149 PolarHBondContact O-N 2.99Å; H1146-N1149 PolarHBondContact O-OD1 3.19Å; G1147-N1149 VanDerWaalsContact C-N 3.29Å; G1147-N1149 VanDerWaalsContact CA-OD1 3.26Å; G1147-N1149 WeakPolarHBondContact CA-OD1 3.31Å; N1149-G1162 VanDerWaalsContact O-CA 3.29Å; N1149-G1162 WeakPolarHBondContact O-CA 3.42Å; N1149-G1162 PolarHBondContact O-N 2.93Å; N1149-R1164 WeakPolarHBondContact OD1-CD 3.5Å; N1149-R1164 PolarHBondContact OD1-NE 3.28Å; N1149-P1165 PolarHBondContact ND2-O 2.98Å; N1149-P1165 PolarHBondContact OD1-O 2.74Å; N1149-L1166 HydrophobicContact CB-CD2 3.89Å; N1149-H1174 PolarHBondContact ND2-CE1 2.67Å; N1149-H1174 VanDerWaalsContact ND2-CE1 3.31Å; N1149-H1174 PolarHBondContact ND2-NE2 3.21Å; N1149-H1174 VanDerWaalsContact ND2-NE2 3.17Å
1150F92.3Very high88Confident2.6 Ų2.651 Ų511%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-128.8158.9177.7-51.9-75.8000112.2I1121 I1141 N1145 N1148 L1159 M1160 L1166 H1174 L1176 V1196I1121-F1150 HydrophobicContact CD1-CD1 3.45Å; I1121-F1150 VanDerWaalsContact CD1-CD1 3.43Å; I1121-F1150 HydrophobicContact CD1-CE1 3.59Å; I1141-F1150 HydrophobicContact CD1-CB 4.16Å; N1145-F1150 PolarHBondContact ND2-O 3.11Å; N1145-F1150 WeakPolarHBondContact OD1-CD2 2.97Å; N1145-F1150 PolarHBondContact OD1-N 2.98Å; N1145-F1150 PolarHBondContact OD1-O 3.02Å; N1148-F1150 CarbonylContact C-O 3.3Å; N1148-F1150 PolarHBondContact O-N 3.02Å; F1150-L1159 HydrophobicContact CB-CD1 4.06Å; F1150-L1159 HydrophobicContact CB-CG 4.34Å; F1150-L1159 HydrophobicContact CD1-CD2 4.43Å; F1150-M1160 CarbonylContact C-O 3.55Å; F1150-M1160 WeakPolarHBondContact CA-O 3.34Å; F1150-L1166 HydrophobicContact CE1-CD1 4.37Å; F1150-L1166 HydrophobicContact CE1-CD2 4.02Å; F1150-L1166 HydrophobicContact CE2-CD2 4.33Å; F1150-L1166 HydrophobicContact CZ-CD2 3.67Å; F1150-H1174 HydrophobicContact CD2-CB 4.49Å; F1150-H1174 HydrophobicContact CE2-CB 3.51Å; F1150-H1174 VanDerWaalsContact CE2-CB 3.45Å; F1150-H1174 AromaticContact CE2-CD2 3.64Å; F1150-H1174 AromaticContact CE2-CG 3.45Å; F1150-H1174 VanDerWaalsContact CE2-CG 3.44Å; F1150-H1174 AromaticContact CE2-ND1 3.88Å; F1150-H1174 HydrophobicContact CZ-CB 3.88Å; F1150-H1174 AromaticContact CZ-CD2 3.61Å; F1150-H1174 AromaticContact CZ-CG 3.77Å; F1150-L1176 HydrophobicContact CB-CD1 4.04Å; F1150-L1176 HydrophobicContact CD1-CD1 4.34Å; F1150-L1176 HydrophobicContact CD2-CD1 3.72Å; F1150-L1176 HydrophobicContact CD2-CD2 3.74Å; F1150-L1176 HydrophobicContact CD2-CG 4.27Å; F1150-L1176 HydrophobicContact CE2-CD1 4.31Å; F1150-L1176 HydrophobicContact CE2-CD2 4.08Å; F1150-L1176 HydrophobicContact CE2-CG 4.44Å; F1150-L1176 HydrophobicContact CG-CD1 3.85Å; F1150-L1176 HydrophobicContact CG-CD2 4.49Å; F1150-V1196 HydrophobicContact CE1-CB 4.18Å; F1150-V1196 HydrophobicContact CE1-CG1 3.89Å; F1150-V1196 HydrophobicContact CE1-CG2 4.13Å; F1150-V1196 HydrophobicContact CE2-CB 4.47Å; F1150-V1196 HydrophobicContact CZ-CB 4Å; F1150-V1196 HydrophobicContact CZ-CG1 4.01Å; F1150-V1196 HydrophobicContact CZ-CG2 4.25Å
1151R91Very high88.1Confident89.4 Ų89.448.5 Ų48.534%0.33726%0.264SS..EExtended strand (participates in β ladder)trans-134.7144.1168.353.2-175.2-168.9-158.50.6108.8E1117 G1118 L1159 M1160 R1161 G1162E1117-R1151 VanDerWaalsContact CB-NH2 3.3Å; E1117-R1151 VanDerWaalsContact CG-NH2 3.33Å; E1117-R1151 IonicContact OE1-CZ 3.13Å; E1117-R1151 IonicContact OE1-NH1 3.37Å; E1117-R1151 PolarHBondContact OE1-NH1 2.99Å; E1117-R1151 IonicContact OE1-NH2 2.82Å; E1117-R1151 PolarHBondContact OE1-NH2 3Å; E1117-R1151 IonicContact OE2-NH2 2.91Å; G1118-R1151 VanDerWaalsContact CA-CZ 3.47Å; G1118-R1151 PolarHBondContact O-NH2 3.02Å; R1151-L1159 WeakPolarHBondContact O-CA 3.3Å; R1151-L1159 WeakPolarHBondContact O-CD1 3.33Å; R1151-M1160 HydrophobicContact CB-CE 4.35Å; R1151-M1160 HydrophobicContact CG-CB 3.83Å; R1151-M1160 HydrophobicContact CG-CE 4.28Å; R1151-M1160 PolarHBondContact N-O 2.91Å; R1151-M1160 PolarHBondContact NE-SD 3.4Å; R1151-M1160 PolarHBondContact NH2-SD 2.55Å; R1151-M1160 PolarHBondContact O-N 3.28Å; R1151-M1160 VanDerWaalsContact O-O 3.11Å; R1151-R1161 PolarHBondContact NE-O 3.13Å; R1151-R1161 PolarHBondContact NH2-O 2.8Å; R1151-G1162 PolarHBondContact NH2-O 3.04Å
1152I92.5Very high87.9Confident26.4 Ų26.446.9 Ų46.914%0.13526%0.256CS..EExtended strand (participates in β ladder)trans-113.6138.4171.8-167.4163.2000109.8L1124 Y1139 I1141 V1154 L1158 L1159 V1178L1124-I1152 HydrophobicContact CD1-CD1 3.78Å; L1124-I1152 HydrophobicContact CD2-CD1 4.41Å; Y1139-I1152 HydrophobicContact CD1-CD1 4.35Å; Y1139-I1152 HydrophobicContact CG-CD1 4.39Å; Y1139-I1152 VanDerWaalsContact O-CG2 3.26Å; Y1139-I1152 WeakPolarHBondContact O-CG2 3.43Å; I1141-I1152 HydrophobicContact CD1-CB 4.31Å; I1141-I1152 HydrophobicContact CD1-CG2 4.3Å; I1141-I1152 HydrophobicContact CG1-CB 4.15Å; I1141-I1152 HydrophobicContact CG1-CG2 3.84Å; I1152-V1154 PolarHBondContact O-N 3.07Å; I1152-V1154 VanDerWaalsContact O-N 3.08Å; I1152-L1158 CarbonylContact C-O 3.57Å; I1152-L1158 WeakPolarHBondContact CA-O 3.21Å; I1152-L1159 HydrophobicContact CB-CD1 4.23Å; I1152-V1178 HydrophobicContact CD1-CB 4.5Å; I1152-V1178 HydrophobicContact CD1-CG1 3.56Å; I1152-V1178 VanDerWaalsContact CD1-CG1 3.48Å; I1152-V1178 HydrophobicContact CD1-CG2 4.23Å
1153H91.1Very high87.9Confident97.6 Ų97.647.2 Ų47.245%0.45226%0.262SS..  trans-78.5110.8175.1-176.6-98.5000110.2G1155 S1156 G1157 L1158 M1160H1153-G1155 VanDerWaalsContact C-N 3.3Å; H1153-G1155 PolarHBondContact O-N 3.02Å; H1153-G1155 VanDerWaalsContact O-N 3.12Å; H1153-S1156 WeakPolarHBondContact CB-OG 3.18Å; H1153-S1156 WeakPolarHBondContact ND1-CB 3.3Å; H1153-S1156 PolarHBondContact ND1-N 2.93Å; H1153-S1156 PolarHBondContact ND1-OG 2.96Å; H1153-S1156 PolarHBondContact O-N 3.01Å; H1153-S1156 VanDerWaalsContact O-N 3.08Å; H1153-G1157 PolarHBondContact O-N 2.97Å; H1153-L1158 HydrophobicContact CB-CB 4.24Å; H1153-L1158 PolarHBondContact N-O 3.28Å; H1153-M1160 HydrophobicContact CB-CE 3.95Å
1154V87.9Confident87.9Confident69 Ų6948.4 Ų48.442%0.41826%0.262SS..THydrogen-bonded Turntrans-55.6-36.2-165.8110.20000113.9W1138 Y1139 I1152W1138-V1154 CarbonylContact C-O 3.39Å; W1138-V1154 VanDerWaalsContact CA-O 3.25Å; W1138-V1154 WeakPolarHBondContact CA-O 3.29Å; W1138-V1154 HydrophobicContact CB-CG1 4.12Å; W1138-V1154 HydrophobicContact CB-CG2 4.08Å; W1138-V1154 HydrophobicContact CD2-CG2 4.34Å; W1138-V1154 HydrophobicContact CE3-CB 4.33Å; W1138-V1154 HydrophobicContact CE3-CG1 3.93Å; W1138-V1154 HydrophobicContact CE3-CG2 3.79Å; W1138-V1154 HydrophobicContact CG-CG1 4.25Å; W1138-V1154 HydrophobicContact CG-CG2 4.36Å; W1138-V1154 HydrophobicContact CZ3-CG1 3.98Å; Y1139-V1154 WeakPolarHBondContact CD2-O 3.29Å; Y1139-V1154 PolarHBondContact N-O 2.99Å; Y1139-V1154 WeakPolarHBondContact O-CA 3.32Å; I1152-V1154 PolarHBondContact O-N 3.07Å; I1152-V1154 VanDerWaalsContact O-N 3.08Å
1155G85.2Confident88Confident48.2 Ų48.251.1 Ų51.150%0.49728%0.276SS..THydrogen-bonded Turntrans-99.18.3-178.700000115.5H1153H1153-G1155 VanDerWaalsContact C-N 3.3Å; H1153-G1155 PolarHBondContact O-N 3.02Å; H1153-G1155 VanDerWaalsContact O-N 3.12Å
1156S87.3Confident87.9Confident46.6 Ų46.650.3 Ų50.333%0.32627%0.272SS..THydrogen-bonded Turntrans-140-12.5176.573.60000115.8Q1123 H1153 L1158Q1123-S1156 PolarHBondContact NE2-O 3.21Å; H1153-S1156 WeakPolarHBondContact CB-OG 3.18Å; H1153-S1156 WeakPolarHBondContact ND1-CB 3.3Å; H1153-S1156 PolarHBondContact ND1-N 2.93Å; H1153-S1156 PolarHBondContact ND1-OG 2.96Å; H1153-S1156 PolarHBondContact O-N 3.01Å; H1153-S1156 VanDerWaalsContact O-N 3.08Å; S1156-L1158 VanDerWaalsContact C-N 3.29Å; S1156-L1158 PolarHBondContact O-N 3.3Å; S1156-L1158 PolarHBondContact OG-N 3.06Å
1157G88.7Confident88.3Confident0 Ų045.3 Ų45.30%025%0.251CS..  trans78.26.8-179.500000115Q1123 L1124 Y1139 H1153 L1159Q1123-G1157 VanDerWaalsContact NE2-C 3.32Å; L1124-G1157 VanDerWaalsContact CB-O 3.26Å; L1124-G1157 WeakPolarHBondContact CB-O 3.32Å; L1124-G1157 VanDerWaalsContact CD1-O 3.24Å; L1124-G1157 WeakPolarHBondContact CD1-O 3.35Å; L1124-G1157 WeakPolarHBondContact CG-O 3.48Å; L1124-G1157 PolarHBondContact N-O 3.1Å; L1124-G1157 VanDerWaalsContact N-O 3.12Å; Y1139-G1157 VanDerWaalsContact CD2-CA 3.44Å; Y1139-G1157 VanDerWaalsContact CD2-N 3.33Å; Y1139-G1157 VanDerWaalsContact CE2-N 3.35Å; Y1139-G1157 VanDerWaalsContact CG-CA 3.44Å; H1153-G1157 PolarHBondContact O-N 2.97Å; G1157-L1159 PolarHBondContact O-N 2.99Å; G1157-L1159 VanDerWaalsContact O-N 3.13Å
1158L93Very high88.8Confident39 Ų3945.8 Ų45.820%0.20425%0.245CC..EExtended strand (participates in β ladder)trans-71.9113.3177.1-177.564.7000110.6Q1123 I1152 H1153 S1156 M1160Q1123-L1158 HydrophobicContact CB-CD1 4.3Å; I1152-L1158 CarbonylContact C-O 3.57Å; I1152-L1158 WeakPolarHBondContact CA-O 3.21Å; H1153-L1158 HydrophobicContact CB-CB 4.24Å; H1153-L1158 PolarHBondContact N-O 3.28Å; S1156-L1158 VanDerWaalsContact C-N 3.29Å; S1156-L1158 PolarHBondContact O-N 3.3Å; S1156-L1158 PolarHBondContact OG-N 3.06Å; L1158-M1160 HydrophobicContact CB-CE 4.42Å; L1158-M1160 HydrophobicContact CD2-CE 4.25Å; L1158-M1160 HydrophobicContact CD2-CG 4.19Å; L1158-M1160 HydrophobicContact CD2-SD 4.27Å; L1158-M1160 HydrophobicContact CG-CE 4.32Å; L1158-M1160 HydrophobicContact CG-CG 4.12Å; L1158-M1160 HydrophobicContact CG-SD 4.47Å; L1158-M1160 WeakPolarHBondContact O-CE 3.38Å
1159L92.9Very high88.6Confident0 Ų043.7 Ų43.70%023%0.232CC..EExtended strand (participates in β ladder)trans-79.2132.1169.1-166.775.6000109.6I1121 V1122 L1124 I1141 F1150 R1151 I1152 G1157 L1176 V1194 V1196I1121-L1159 HydrophobicContact CB-CB 4.42Å; I1121-L1159 HydrophobicContact CB-CD2 4.35Å; I1121-L1159 HydrophobicContact CB-CG 4.45Å; I1121-L1159 HydrophobicContact CD1-CD2 4.4Å; I1121-L1159 HydrophobicContact CD1-CG 4.47Å; I1121-L1159 HydrophobicContact CG2-CD2 4.28Å; I1121-L1159 PolarHBondContact N-O 3.12Å; V1122-L1159 HydrophobicContact CG1-CB 3.88Å; V1122-L1159 HydrophobicContact CG1-CD2 3.89Å; V1122-L1159 HydrophobicContact CG1-CG 4.49Å; V1122-L1159 PolarHBondContact N-O 2.78Å; V1122-L1159 WeakPolarHBondContact O-CA 3.42Å; V1122-L1159 VanDerWaalsContact O-CB 3.32Å; V1122-L1159 WeakPolarHBondContact O-CB 3.38Å; V1122-L1159 PolarHBondContact O-N 2.98Å; L1124-L1159 HydrophobicContact CD1-CB 4.18Å; I1141-L1159 HydrophobicContact CD1-CD1 3.77Å; I1141-L1159 VanDerWaalsContact CD1-CD1 3.4Å; I1141-L1159 HydrophobicContact CG1-CD1 4.4Å; F1150-L1159 HydrophobicContact CB-CD1 4.06Å; F1150-L1159 HydrophobicContact CB-CG 4.34Å; F1150-L1159 HydrophobicContact CD1-CD2 4.43Å; R1151-L1159 WeakPolarHBondContact O-CA 3.3Å; R1151-L1159 WeakPolarHBondContact O-CD1 3.33Å; I1152-L1159 HydrophobicContact CB-CD1 4.23Å; G1157-L1159 PolarHBondContact O-N 2.99Å; G1157-L1159 VanDerWaalsContact O-N 3.13Å; L1159-L1176 HydrophobicContact CD1-CD1 3.99Å; L1159-L1176 HydrophobicContact CD2-CD1 3.77Å; L1159-L1176 HydrophobicContact CG-CD1 4.44Å; L1159-V1194 HydrophobicContact CD2-CG1 4.14Å; L1159-V1196 HydrophobicContact CD2-CG2 4Å
1160M93Very high88.3Confident27.6 Ų27.651.3 Ų51.314%0.13626%0.26CS..EExtended strand (participates in β ladder)trans-132.5158.9178.6-66.8167.2-79.900110.4H1119 F1150 R1151 H1153 L1158 G1162H1119-M1160 CarbonylContact O-C 3.53Å; H1119-M1160 WeakPolarHBondContact O-CA 3.28Å; H1119-M1160 VanDerWaalsContact O-CB 3.26Å; H1119-M1160 WeakPolarHBondContact O-CB 3.28Å; F1150-M1160 CarbonylContact C-O 3.55Å; F1150-M1160 WeakPolarHBondContact CA-O 3.34Å; R1151-M1160 HydrophobicContact CB-CE 4.35Å; R1151-M1160 HydrophobicContact CG-CB 3.83Å; R1151-M1160 HydrophobicContact CG-CE 4.28Å; R1151-M1160 PolarHBondContact N-O 2.91Å; R1151-M1160 PolarHBondContact NE-SD 3.4Å; R1151-M1160 PolarHBondContact NH2-SD 2.55Å; R1151-M1160 PolarHBondContact O-N 3.28Å; R1151-M1160 VanDerWaalsContact O-O 3.11Å; H1153-M1160 HydrophobicContact CB-CE 3.95Å; L1158-M1160 HydrophobicContact CB-CE 4.42Å; L1158-M1160 HydrophobicContact CD2-CE 4.25Å; L1158-M1160 HydrophobicContact CD2-CG 4.19Å; L1158-M1160 HydrophobicContact CD2-SD 4.27Å; L1158-M1160 HydrophobicContact CG-CE 4.32Å; L1158-M1160 HydrophobicContact CG-CG 4.12Å; L1158-M1160 HydrophobicContact CG-SD 4.47Å; L1158-M1160 WeakPolarHBondContact O-CE 3.38Å; M1160-G1162 PolarHBondContact O-N 2.88Å
1161R91.9Very high87.7Confident22.4 Ų22.454.3 Ų54.39%0.08528%0.276CS..EExtended strand (participates in β ladder)trans-64.9133.4170.2-173.2-106.9153.7164.9-19.1110.6I1115 P1116 G1118 H1119 I1121 R1151 P1163 R1164 P1165 L1166I1115-R1161 HydrophobicContact CD1-CB 3.8Å; I1115-R1161 HydrophobicContact CD1-CG 3.77Å; I1115-R1161 HydrophobicContact CG1-CB 4.34Å; I1115-R1161 HydrophobicContact CG1-CG 3.91Å; I1115-R1161 HydrophobicContact CG2-CB 4.17Å; I1115-R1161 HydrophobicContact CG2-CG 3.87Å; I1115-R1161 VanDerWaalsContact O-CD 3.27Å; I1115-R1161 WeakPolarHBondContact O-CD 3.06Å; I1115-R1161 PolarHBondContact O-NE 3.41Å; I1115-R1161 PolarHBondContact O-NH1 3Å; P1116-R1161 WeakPolarHBondContact O-CD 3.33Å; G1118-R1161 VanDerWaalsContact CA-O 3.29Å; G1118-R1161 WeakPolarHBondContact CA-O 3.37Å; G1118-R1161 PolarHBondContact N-O 2.96Å; G1118-R1161 VanDerWaalsContact N-O 3.15Å; H1119-R1161 HydrophobicContact CB-CB 4.31Å; H1119-R1161 PolarHBondContact O-N 2.93Å; H1119-R1161 VanDerWaalsContact O-N 3.16Å; I1121-R1161 HydrophobicContact CD1-CB 4.13Å; R1151-R1161 PolarHBondContact NE-O 3.13Å; R1151-R1161 PolarHBondContact NH2-O 2.8Å; R1161-P1163 PolarHBondContact NH1-O 3.21Å; R1161-P1163 PolarHBondContact NH2-O 3.07Å; R1161-R1164 VanDerWaalsContact CZ-O 3.32Å; R1161-R1164 PolarHBondContact NE-O 3.13Å; R1161-R1164 VanDerWaalsContact NE-O 3.12Å; R1161-R1164 PolarHBondContact NH1-O 2.93Å; R1161-R1164 VanDerWaalsContact NH2-C 3.35Å; R1161-R1164 PolarHBondContact NH2-O 3.1Å; R1161-P1165 VanDerWaalsContact NH2-CA 3.34Å; R1161-P1165 VanDerWaalsContact NH2-N 3.16Å; R1161-L1166 HydrophobicContact CG-CD1 4.3Å; R1161-L1166 HydrophobicContact CG-CG 4.32Å
1162G87.6Confident87.3Confident0 Ų053.6 Ų53.60%028%0.284CS..  trans-83.6-177.4-173.100000114.2N1148 N1149 R1151 M1160 R1164N1148-G1162 CarbonylContact O-C 3.58Å; N1148-G1162 WeakPolarHBondContact O-CA 3.42Å; N1149-G1162 VanDerWaalsContact O-CA 3.29Å; N1149-G1162 WeakPolarHBondContact O-CA 3.42Å; N1149-G1162 PolarHBondContact O-N 2.93Å; R1151-G1162 PolarHBondContact NH2-O 3.04Å; M1160-G1162 PolarHBondContact O-N 2.88Å; G1162-R1164 VanDerWaalsContact C-N 3.32Å; G1162-R1164 CarbonylContact C-O 3.52Å; G1162-R1164 PolarHBondContact O-N 3.09Å; G1162-R1164 VanDerWaalsContact O-O 3.06Å
1163P84.9Confident87.1Confident76.4 Ų76.454.6 Ų54.650%0.49629%0.294SS..SBendtrans-65.8-28.2-17925.8-35.7000114N1148 R1161N1148-P1163 HydrophobicContact CB-CG 4.14Å; N1148-P1163 VanDerWaalsContact O-CD 3.29Å; N1148-P1163 WeakPolarHBondContact O-CD 3.28Å; R1161-P1163 PolarHBondContact NH1-O 3.21Å; R1161-P1163 PolarHBondContact NH2-O 3.07Å
1164R85.7Confident86.9Confident135.6 Ų135.650.4 Ų50.451%0.51227%0.274SS..SBendtrans-81.2141.2170.2-87-161.9179.9155.40.3110.8G1147 N1148 N1149 R1161 G1162 D1167G1147-R1164 WeakPolarHBondContact O-CB 3.22Å; G1147-R1164 VanDerWaalsContact O-CD 3.24Å; G1147-R1164 WeakPolarHBondContact O-CD 3.27Å; G1147-R1164 VanDerWaalsContact O-CG 3.32Å; G1147-R1164 WeakPolarHBondContact O-CG 3.23Å; G1147-R1164 PolarHBondContact O-NE 2.88Å; G1147-R1164 PolarHBondContact O-NH1 2.77Å; G1147-R1164 VanDerWaalsContact O-NH1 3.13Å; N1148-R1164 PolarHBondContact O-N 3.2Å; N1149-R1164 WeakPolarHBondContact OD1-CD 3.5Å; N1149-R1164 PolarHBondContact OD1-NE 3.28Å; R1161-R1164 VanDerWaalsContact CZ-O 3.32Å; R1161-R1164 PolarHBondContact NE-O 3.13Å; R1161-R1164 VanDerWaalsContact NE-O 3.12Å; R1161-R1164 PolarHBondContact NH1-O 2.93Å; R1161-R1164 VanDerWaalsContact NH2-C 3.35Å; R1161-R1164 PolarHBondContact NH2-O 3.1Å; G1162-R1164 VanDerWaalsContact C-N 3.32Å; G1162-R1164 CarbonylContact C-O 3.52Å; G1162-R1164 PolarHBondContact O-N 3.09Å; G1162-R1164 VanDerWaalsContact O-O 3.06Å; R1164-D1167 IonicContact CZ-OD2 2.99Å; R1164-D1167 IonicContact NH2-OD2 3.3Å; R1164-D1167 PolarHBondContact NH2-OD2 3.18Å
1165P85.3Confident86.9Confident76.8 Ų76.850.7 Ų50.750%0.49928%0.276SS..PPolyproline II helixtrans-57.1159.9167.8-3.68.3000111.5N1149 R1161N1149-P1165 PolarHBondContact ND2-O 2.98Å; N1149-P1165 PolarHBondContact OD1-O 2.74Å; R1161-P1165 VanDerWaalsContact NH2-CA 3.34Å; R1161-P1165 VanDerWaalsContact NH2-N 3.16Å
1166L87.5Confident87.1Confident8 Ų848.5 Ų48.54%0.04225%0.253CS..PPolyproline II helixtrans-78160.7156.9-61.8173.4000107.7V1111 E1113 I1115 N1149 F1150 R1161 V1198V1111-L1166 HydrophobicContact CG2-CD1 3.67Å; E1113-L1166 HydrophobicContact CB-CB 3.86Å; I1115-L1166 HydrophobicContact CD1-CD1 4.05Å; I1115-L1166 HydrophobicContact CG1-CD1 4.16Å; I1115-L1166 HydrophobicContact CG2-CD1 3.95Å; N1149-L1166 HydrophobicContact CB-CD2 3.89Å; F1150-L1166 HydrophobicContact CE1-CD1 4.37Å; F1150-L1166 HydrophobicContact CE1-CD2 4.02Å; F1150-L1166 HydrophobicContact CE2-CD2 4.33Å; F1150-L1166 HydrophobicContact CZ-CD2 3.67Å; R1161-L1166 HydrophobicContact CG-CD1 4.3Å; R1161-L1166 HydrophobicContact CG-CG 4.32Å; L1166-V1198 HydrophobicContact CB-CG1 4.04Å; L1166-V1198 HydrophobicContact CD1-CG1 4.32Å; L1166-V1198 HydrophobicContact CD1-CG2 4.29Å; L1166-V1198 HydrophobicContact CD2-CG1 4.44Å; L1166-V1198 HydrophobicContact CD2-CG2 4.26Å
1167D85.7Confident87.3Confident49.2 Ų49.248.3 Ų48.326%0.26325%0.247SC..  trans-162.691.1-164.8166.6-13.3000103.7E1113 R1164 E1169 R1170 N1171E1113-D1167 VanDerWaalsContact OE2-CA 3.24Å; E1113-D1167 WeakPolarHBondContact OE2-CA 3.4Å; E1113-D1167 PolarHBondContact OE2-N 3.49Å; R1164-D1167 IonicContact CZ-OD2 2.99Å; R1164-D1167 IonicContact NH2-OD2 3.3Å; R1164-D1167 PolarHBondContact NH2-OD2 3.18Å; D1167-E1169 VanDerWaalsContact C-N 3.31Å; D1167-R1170 HydrophobicContact CB-CB 4.38Å; D1167-R1170 VanDerWaalsContact CG-CB 3.47Å; D1167-R1170 VanDerWaalsContact CG-CD 3.47Å; D1167-R1170 VanDerWaalsContact CG-NE 3.27Å; D1167-R1170 WeakPolarHBondContact O-CB 3.47Å; D1167-R1170 PolarHBondContact O-N 3.31Å; D1167-R1170 WeakPolarHBondContact OD1-CB 3.34Å; D1167-R1170 VanDerWaalsContact OD1-CD 3.23Å; D1167-R1170 WeakPolarHBondContact OD1-CD 3.44Å; D1167-R1170 WeakPolarHBondContact OD1-CG 3.27Å; D1167-R1170 PolarHBondContact OD1-N 3.31Å; D1167-R1170 IonicContact OD1-NE 3.33Å; D1167-R1170 PolarHBondContact OD1-NE 3Å; D1167-R1170 VanDerWaalsContact OD1-NE 3.16Å; D1167-R1170 WeakPolarHBondContact OD2-CB 3.32Å; D1167-R1170 VanDerWaalsContact OD2-CD 3.25Å; D1167-R1170 WeakPolarHBondContact OD2-CD 3.27Å; D1167-R1170 IonicContact OD2-CZ 3.82Å; D1167-R1170 IonicContact OD2-NE 3.19Å; D1167-R1170 PolarHBondContact OD2-NE 3.43Å; D1167-R1170 IonicContact OD2-NH1 3.03Å; D1167-R1170 PolarHBondContact OD2-NH1 2.97Å; D1167-R1170 IonicContact OD2-NH2 3.13Å; D1167-N1171 PolarHBondContact O-N 3.01Å
1168R86.6Confident87.4Confident34.4 Ų34.448.3 Ų48.313%0.1325%0.247CC..THydrogen-bonded Turntrans-76-32.1-166.6-173.4-149.957.294.2-6.4110.9E1113 R1170 N1171 S1172 V1198 D1200 K1236 D1237 T1238E1113-R1168 HydrophobicContact CB-CB 4.49Å; E1113-R1168 VanDerWaalsContact CD-CB 3.47Å; E1113-R1168 VanDerWaalsContact OE1-CB 3.29Å; E1113-R1168 WeakPolarHBondContact OE1-CB 3.41Å; E1113-R1168 IonicContact OE1-NE 2.75Å; E1113-R1168 WeakPolarHBondContact OE2-CB 3.29Å; E1113-R1168 PolarHBondContact OE2-N 3.1Å; R1168-R1170 CarbonylContact O-C 3.6Å; R1168-R1170 PolarHBondContact O-N 3.14Å; R1168-R1170 VanDerWaalsContact O-N 3.12Å; R1168-N1171 CarbonylContact O-C 3.53Å; R1168-N1171 PolarHBondContact O-N 3.17Å; R1168-N1171 VanDerWaalsContact O-N 3.12Å; R1168-S1172 WeakPolarHBondContact O-CA 3.14Å; R1168-S1172 PolarHBondContact O-N 2.9Å; R1168-S1172 VanDerWaalsContact O-N 3.1Å; R1168-V1198 HydrophobicContact CB-CB 4.26Å; R1168-V1198 HydrophobicContact CB-CG1 3.89Å; R1168-V1198 WeakPolarHBondContact CD-O 3.05Å; R1168-V1198 HydrophobicContact CG-CB 4.18Å; R1168-V1198 HydrophobicContact CG-CG1 4.2Å; R1168-V1198 WeakPolarHBondContact CG-O 2.83Å; R1168-D1200 IonicContact CZ-OD1 3.32Å; R1168-D1200 IonicContact CZ-OD2 2.94Å; R1168-D1200 VanDerWaalsContact NE-CB 3.3Å; R1168-D1200 VanDerWaalsContact NE-CG 3.31Å; R1168-D1200 IonicContact NE-OD1 2.79Å; R1168-D1200 PolarHBondContact NE-OD1 3.08Å; R1168-D1200 IonicContact NE-OD2 3.33Å; R1168-D1200 IonicContact NH1-OD1 3.75Å; R1168-D1200 PolarHBondContact NH1-OD1 3.48Å; R1168-D1200 VanDerWaalsContact NH1-OD1 3.07Å; R1168-D1200 IonicContact NH1-OD2 2.76Å; R1168-D1200 PolarHBondContact NH1-OD2 3.46Å; R1168-D1200 VanDerWaalsContact NH2-CG 3.31Å; R1168-D1200 IonicContact NH2-OD1 2.92Å; R1168-D1200 PolarHBondContact NH2-OD1 3.24Å; R1168-D1200 VanDerWaalsContact NH2-OD1 3.13Å; R1168-D1200 IonicContact NH2-OD2 2.87Å; R1168-D1200 PolarHBondContact NH2-OD2 2.75Å; R1168-K1236 PolarHBondContact NH2-O 2.79Å; R1168-D1237 VanDerWaalsContact NH2-CA 3.32Å; R1168-T1238 PolarHBondContact NE-OG1 2.74Å; R1168-T1238 PolarHBondContact NH2-OG1 3.11Å
1169E83Confident87.2Confident52 Ų5246.8 Ų46.824%0.24324%0.239CC..THydrogen-bonded Turntrans-62.2-28.4176.8-60.241.6-100.600110D1167 E1204 K1236 T1238D1167-E1169 VanDerWaalsContact C-N 3.31Å; E1169-E1204 HydrophobicContact CG-CG 4.23Å; E1169-K1236 HydrophobicContact CB-CB 3.82Å; E1169-K1236 HydrophobicContact CB-CD 3.74Å; E1169-K1236 HydrophobicContact CB-CG 4.49Å; E1169-K1236 HydrophobicContact CG-CB 3.78Å; E1169-K1236 HydrophobicContact CG-CD 4.28Å; E1169-K1236 HydrophobicContact CG-CG 4.36Å; E1169-T1238 WeakPolarHBondContact OE1-CG2 3.32Å; E1169-T1238 PolarHBondContact OE1-N 3.03Å; E1169-T1238 PolarHBondContact OE1-OG1 2.94Å
1170R80.4Confident87Confident176.4 Ų176.446.8 Ų46.867%0.66624%0.239SC*.THydrogen-bonded Turntrans-85.8-45.5167.1-138.2-179.1-170.4155.86.5113.6D1167 R1168 E1204D1167-R1170 HydrophobicContact CB-CB 4.38Å; D1167-R1170 VanDerWaalsContact CG-CB 3.47Å; D1167-R1170 VanDerWaalsContact CG-CD 3.47Å; D1167-R1170 VanDerWaalsContact CG-NE 3.27Å; D1167-R1170 WeakPolarHBondContact O-CB 3.47Å; D1167-R1170 PolarHBondContact O-N 3.31Å; D1167-R1170 WeakPolarHBondContact OD1-CB 3.34Å; D1167-R1170 VanDerWaalsContact OD1-CD 3.23Å; D1167-R1170 WeakPolarHBondContact OD1-CD 3.44Å; D1167-R1170 WeakPolarHBondContact OD1-CG 3.27Å; D1167-R1170 PolarHBondContact OD1-N 3.31Å; D1167-R1170 IonicContact OD1-NE 3.33Å; D1167-R1170 PolarHBondContact OD1-NE 3Å; D1167-R1170 VanDerWaalsContact OD1-NE 3.16Å; D1167-R1170 WeakPolarHBondContact OD2-CB 3.32Å; D1167-R1170 VanDerWaalsContact OD2-CD 3.25Å; D1167-R1170 WeakPolarHBondContact OD2-CD 3.27Å; D1167-R1170 IonicContact OD2-CZ 3.82Å; D1167-R1170 IonicContact OD2-NE 3.19Å; D1167-R1170 PolarHBondContact OD2-NE 3.43Å; D1167-R1170 IonicContact OD2-NH1 3.03Å; D1167-R1170 PolarHBondContact OD2-NH1 2.97Å; D1167-R1170 IonicContact OD2-NH2 3.13Å; R1168-R1170 CarbonylContact O-C 3.6Å; R1168-R1170 PolarHBondContact O-N 3.14Å; R1168-R1170 VanDerWaalsContact O-N 3.12Å; R1170-E1204 IonicContact NH2-OE1 2.76Å; R1170-E1204 PolarHBondContact NH2-OE1 2.8Å
1171N80.6Confident86.7Confident66 Ų6646.7 Ų46.735%0.35324%0.238SC..  trans-148.983.7-165.5-108.591.3000112.9D1167 R1168 S1173 H1174 V1198D1167-N1171 PolarHBondContact O-N 3.01Å; R1168-N1171 CarbonylContact O-C 3.53Å; R1168-N1171 PolarHBondContact O-N 3.17Å; R1168-N1171 VanDerWaalsContact O-N 3.12Å; N1171-S1173 VanDerWaalsContact C-N 3.27Å; N1171-S1173 PolarHBondContact ND2-O 3.25Å; N1171-S1173 VanDerWaalsContact ND2-O 3.14Å; N1171-S1173 PolarHBondContact O-N 3.1Å; N1171-S1173 VanDerWaalsContact O-N 3.09Å; N1171-H1174 VanDerWaalsContact CB-CE1 3.46Å; N1171-H1174 WeakPolarHBondContact CB-CE1 3.36Å; N1171-H1174 WeakPolarHBondContact CB-NE2 3.32Å; N1171-H1174 PolarHBondContact ND2-CE1 2.76Å; N1171-H1174 PolarHBondContact ND2-ND1 3.04Å; N1171-H1174 PolarHBondContact ND2-NE2 2.7Å; N1171-V1198 WeakPolarHBondContact O-CG2 3.31Å
1172S82.8Confident86.2Confident73 Ų7345.8 Ų45.851%0.5123%0.234SC..SBendtrans-63.8-13.7177.662.80000115.7R1168 V1198R1168-S1172 WeakPolarHBondContact O-CA 3.14Å; R1168-S1172 PolarHBondContact O-N 2.9Å; R1168-S1172 VanDerWaalsContact O-N 3.1Å; S1172-V1198 PolarHBondContact O-N 2.95Å
1173S87.9Confident85.3Confident47.6 Ų47.650.7 Ų50.733%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-151.6156.7170.163.30000112.5N1171 V1196N1171-S1173 VanDerWaalsContact C-N 3.27Å; N1171-S1173 PolarHBondContact ND2-O 3.25Å; N1171-S1173 VanDerWaalsContact ND2-O 3.14Å; N1171-S1173 PolarHBondContact O-N 3.1Å; N1171-S1173 VanDerWaalsContact O-N 3.09Å; S1173-V1196 CarbonylContact C-O 3.55Å; S1173-V1196 VanDerWaalsContact CA-O 3.26Å; S1173-V1196 WeakPolarHBondContact CA-O 3.31Å
1174H86.4Confident84.4Confident11.2 Ų11.251.5 Ų51.55%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-130.4112.9177.7-69.5-86.5000110.5G1144 N1149 F1150 N1171 L1176 V1196G1144-H1174 PolarHBondContact O-ND1 2.85Å; N1149-H1174 PolarHBondContact ND2-CE1 2.67Å; N1149-H1174 VanDerWaalsContact ND2-CE1 3.31Å; N1149-H1174 PolarHBondContact ND2-NE2 3.21Å; N1149-H1174 VanDerWaalsContact ND2-NE2 3.17Å; F1150-H1174 HydrophobicContact CD2-CB 4.49Å; F1150-H1174 HydrophobicContact CE2-CB 3.51Å; F1150-H1174 VanDerWaalsContact CE2-CB 3.45Å; F1150-H1174 AromaticContact CE2-CD2 3.64Å; F1150-H1174 AromaticContact CE2-CG 3.45Å; F1150-H1174 VanDerWaalsContact CE2-CG 3.44Å; F1150-H1174 AromaticContact CE2-ND1 3.88Å; F1150-H1174 HydrophobicContact CZ-CB 3.88Å; F1150-H1174 AromaticContact CZ-CD2 3.61Å; F1150-H1174 AromaticContact CZ-CG 3.77Å; N1171-H1174 VanDerWaalsContact CB-CE1 3.46Å; N1171-H1174 WeakPolarHBondContact CB-CE1 3.36Å; N1171-H1174 WeakPolarHBondContact CB-NE2 3.32Å; N1171-H1174 PolarHBondContact ND2-CE1 2.76Å; N1171-H1174 PolarHBondContact ND2-ND1 3.04Å; N1171-H1174 PolarHBondContact ND2-NE2 2.7Å; H1174-L1176 HydrophobicContact CB-CD2 4.2Å; H1174-L1176 HydrophobicContact CB-CG 4.47Å; H1174-L1176 PolarHBondContact O-N 2.79Å; H1174-V1196 HydrophobicContact CB-CB 4.47Å; H1174-V1196 PolarHBondContact N-O 3.3Å; H1174-V1196 PolarHBondContact O-N 3.06Å
1175V88.7Confident83.2Confident75 Ų7551.7 Ų51.746%0.45527%0.267SS..EExtended strand (participates in β ladder)trans-90.9104.2170.3-176.40000108.5G1144 R1193 V1194 I1195G1144-V1175 WeakPolarHBondContact CA-O 3.25Å; V1175-R1193 HydrophobicContact CG1-CG 4.05Å; V1175-V1194 CarbonylContact C-O 3.52Å; V1175-I1195 HydrophobicContact CG2-CG1 4.4Å; V1175-I1195 HydrophobicContact CG2-CG2 4.44Å
1176L90Very high82.2Confident0.4 Ų0.449 Ų490%0.00225%0.254CS..EExtended strand (participates in β ladder)trans-92.2140.7177.4-49.3-179.6000110.1I1141 H1143 N1145 F1150 L1159 H1174 V1178 R1193 V1194 V1196I1141-L1176 HydrophobicContact CD1-CD1 4.38Å; I1141-L1176 HydrophobicContact CG2-CB 4.16Å; I1141-L1176 HydrophobicContact CG2-CD2 4.42Å; H1143-L1176 WeakPolarHBondContact O-CA 3.48Å; N1145-L1176 HydrophobicContact CB-CD2 4.13Å; F1150-L1176 HydrophobicContact CB-CD1 4.04Å; F1150-L1176 HydrophobicContact CD1-CD1 4.34Å; F1150-L1176 HydrophobicContact CD2-CD1 3.72Å; F1150-L1176 HydrophobicContact CD2-CD2 3.74Å; F1150-L1176 HydrophobicContact CD2-CG 4.27Å; F1150-L1176 HydrophobicContact CE2-CD1 4.31Å; F1150-L1176 HydrophobicContact CE2-CD2 4.08Å; F1150-L1176 HydrophobicContact CE2-CG 4.44Å; F1150-L1176 HydrophobicContact CG-CD1 3.85Å; F1150-L1176 HydrophobicContact CG-CD2 4.49Å; L1159-L1176 HydrophobicContact CD1-CD1 3.99Å; L1159-L1176 HydrophobicContact CD2-CD1 3.77Å; L1159-L1176 HydrophobicContact CG-CD1 4.44Å; H1174-L1176 HydrophobicContact CB-CD2 4.2Å; H1174-L1176 HydrophobicContact CB-CG 4.47Å; H1174-L1176 PolarHBondContact O-N 2.79Å; L1176-V1178 HydrophobicContact CB-CG2 4.32Å; L1176-R1193 WeakPolarHBondContact O-CA 3.31Å; L1176-V1194 WeakPolarHBondContact CA-O 3.27Å; L1176-V1194 HydrophobicContact CB-CB 4.27Å; L1176-V1194 WeakPolarHBondContact CB-O 3.47Å; L1176-V1194 PolarHBondContact N-O 3.06Å; L1176-V1194 PolarHBondContact O-N 3.03Å; L1176-V1196 HydrophobicContact CD1-CG2 4.33Å
1177M90Very high81.2Confident44 Ų4453.5 Ų53.522%0.21728%0.284CS..EExtended strand (participates in β ladder)trans-102.7112.1165.8-152.476.5-86.300108I1141 L1142 H1143 S1191 V1192 R1193I1141-M1177 CarbonylContact C-O 3.33Å; I1141-M1177 WeakPolarHBondContact CG2-O 3.17Å; L1142-M1177 HydrophobicContact CB-CB 4.36Å; L1142-M1177 HydrophobicContact CB-CG 4.3Å; L1142-M1177 WeakPolarHBondContact CB-O 3.41Å; L1142-M1177 HydrophobicContact CD1-CG 4.2Å; L1142-M1177 PolarHBondContact N-O 3.04Å; H1143-M1177 HydrophobicContact CB-CB 3.99Å; H1143-M1177 WeakPolarHBondContact CE1-CB 3.39Å; H1143-M1177 WeakPolarHBondContact CE1-CG 3.49Å; H1143-M1177 PolarHBondContact N-O 2.84Å; H1143-M1177 VanDerWaalsContact NE2-CB 3.28Å; H1143-M1177 WeakPolarHBondContact NE2-CB 3.32Å; H1143-M1177 WeakPolarHBondContact NE2-CG 3.27Å; H1143-M1177 PolarHBondContact O-N 3.21Å; H1143-M1177 VanDerWaalsContact O-N 3.11Å; M1177-S1191 VanDerWaalsContact CE-CB 3.49Å; M1177-S1191 VanDerWaalsContact CE-OG 3.25Å; M1177-S1191 WeakPolarHBondContact CE-OG 3.35Å; M1177-V1192 WeakPolarHBondContact CE-O 3.36Å; M1177-R1193 HydrophobicContact CE-CB 4.39Å; M1177-R1193 HydrophobicContact CE-CG 3.74Å; M1177-R1193 HydrophobicContact SD-CG 3.84Å
1178V91Very high80.5Confident0 Ų053.4 Ų53.40%028%0.282CS..EExtended strand (participates in β ladder)trans-103.2133.9178.6-178.60000109.1F1102 L1124 R1140 I1141 I1152 L1176 S1191 V1192 V1194F1102-V1178 HydrophobicContact CE1-CG1 4.48Å; F1102-V1178 HydrophobicContact CZ-CG1 4.26Å; L1124-V1178 HydrophobicContact CD1-CB 4.08Å; L1124-V1178 HydrophobicContact CD1-CG1 3.96Å; L1124-V1178 HydrophobicContact CD1-CG2 3.96Å; L1124-V1178 HydrophobicContact CD2-CB 3.92Å; L1124-V1178 HydrophobicContact CD2-CG1 3.8Å; L1124-V1178 HydrophobicContact CD2-CG2 4.27Å; R1140-V1178 CarbonylContact O-C 3.55Å; R1140-V1178 WeakPolarHBondContact O-CA 3.29Å; R1140-V1178 WeakPolarHBondContact O-CG1 3.08Å; I1141-V1178 HydrophobicContact CG1-CG2 4.25Å; I1141-V1178 HydrophobicContact CG2-CG2 4.24Å; I1152-V1178 HydrophobicContact CD1-CB 4.5Å; I1152-V1178 HydrophobicContact CD1-CG1 3.56Å; I1152-V1178 VanDerWaalsContact CD1-CG1 3.48Å; I1152-V1178 HydrophobicContact CD1-CG2 4.23Å; L1176-V1178 HydrophobicContact CB-CG2 4.32Å; V1178-S1191 CarbonylContact O-C 3.43Å; V1178-S1191 VanDerWaalsContact O-CA 3.27Å; V1178-S1191 WeakPolarHBondContact O-CA 3.33Å; V1178-S1191 WeakPolarHBondContact O-CB 3.49Å; V1178-V1192 HydrophobicContact CB-CG1 4.27Å; V1178-V1192 PolarHBondContact N-O 3.1Å; V1178-V1192 PolarHBondContact O-N 3.29Å; V1178-V1194 HydrophobicContact CB-CG2 4.24Å; V1178-V1194 HydrophobicContact CG2-CB 4.39Å; V1178-V1194 HydrophobicContact CG2-CG2 3.67Å
1179E90Very high80.4Confident7.4 Ų7.457.1 Ų57.14%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-109.3135.5177.9-171.9-176.6-125.300109.9Y1139 R1140 L1142 R1189 S1190Y1139-E1179 CarbonylContact C-O 3.57Å; Y1139-E1179 VanDerWaalsContact CA-O 3.31Å; Y1139-E1179 WeakPolarHBondContact CA-O 3.33Å; R1140-E1179 HydrophobicContact CG-CB 4.33Å; R1140-E1179 IonicContact CZ-OE2 2.96Å; R1140-E1179 PolarHBondContact N-O 2.96Å; R1140-E1179 IonicContact NE-OE2 3.34Å; R1140-E1179 PolarHBondContact NE-OE2 3.28Å; R1140-E1179 IonicContact NH2-OE1 3.64Å; R1140-E1179 IonicContact NH2-OE2 3Å; R1140-E1179 PolarHBondContact NH2-OE2 3.04Å; R1140-E1179 PolarHBondContact O-N 3.2Å; L1142-E1179 HydrophobicContact CD1-CB 3.72Å; L1142-E1179 HydrophobicContact CD1-CG 4.14Å; L1142-E1179 WeakPolarHBondContact CD1-OE1 3.41Å; L1142-E1179 HydrophobicContact CD2-CB 4.35Å; L1142-E1179 WeakPolarHBondContact CD2-OE1 3.38Å; L1142-E1179 WeakPolarHBondContact CD2-OE2 3.41Å; L1142-E1179 HydrophobicContact CG-CB 3.73Å; L1142-E1179 HydrophobicContact CG-CG 4.32Å; E1179-R1189 HydrophobicContact CG-CB 4.04Å; E1179-R1189 WeakPolarHBondContact OE1-CD 3.28Å; E1179-R1189 WeakPolarHBondContact OE1-CG 3.45Å; E1179-R1189 IonicContact OE1-CZ 2.75Å; E1179-R1189 IonicContact OE1-NE 3Å; E1179-R1189 PolarHBondContact OE1-NE 3.12Å; E1179-R1189 IonicContact OE1-NH1 2.84Å; E1179-R1189 PolarHBondContact OE1-NH1 3.12Å; E1179-S1190 CarbonylContact C-O 3.53Å; E1179-S1190 VanDerWaalsContact CA-O 3.24Å; E1179-S1190 WeakPolarHBondContact CA-O 3.37Å; E1179-S1190 VanDerWaalsContact CG-O 3.31Å; E1179-S1190 WeakPolarHBondContact CG-O 3.16Å
1180A88.9Confident80.5Confident0 Ų055.8 Ų55.80%029%0.293CS..EExtended strand (participates in β ladder)trans-104130166.200000108.3P1100 F1102 A1126 V1137 W1138 Y1139 R1189 S1190P1100-A1180 HydrophobicContact CB-CB 3.69Å; P1100-A1180 HydrophobicContact CG-CB 4.32Å; F1102-A1180 HydrophobicContact CD2-CB 4.31Å; F1102-A1180 HydrophobicContact CE1-CB 4.11Å; F1102-A1180 HydrophobicContact CE2-CB 3.53Å; F1102-A1180 VanDerWaalsContact CE2-CB 3.49Å; F1102-A1180 HydrophobicContact CZ-CB 3.42Å; F1102-A1180 VanDerWaalsContact CZ-CB 3.45Å; A1126-A1180 HydrophobicContact CB-CB 3.76Å; V1137-A1180 HydrophobicContact CG1-CB 3.83Å; W1138-A1180 CarbonylContact O-C 3.55Å; W1138-A1180 VanDerWaalsContact O-CA 3.31Å; W1138-A1180 WeakPolarHBondContact O-CA 3.29Å; Y1139-A1180 HydrophobicContact CD1-CB 4.21Å; Y1139-A1180 HydrophobicContact CE1-CB 4.24Å; A1180-R1189 CarbonylContact O-C 3.57Å; A1180-R1189 VanDerWaalsContact O-CA 3.27Å; A1180-R1189 WeakPolarHBondContact O-CA 3.3Å; A1180-R1189 VanDerWaalsContact O-CB 3.27Å; A1180-R1189 WeakPolarHBondContact O-CB 3.32Å; A1180-S1190 PolarHBondContact N-O 3.1Å; A1180-S1190 PolarHBondContact O-N 3.08Å; A1180-S1190 VanDerWaalsContact O-N 3.14Å
1181Y86Confident80.9Confident25.4 Ų25.450.8 Ų50.810%0.128%0.284CS..EExtended strand (participates in β ladder)trans-145.8154-173.568.6-78000110.9W1138 R1140 D1184 L1185W1138-Y1181 WeakPolarHBondContact CA-O 3.35Å; W1138-Y1181 HydrophobicContact CB-CD1 4.18Å; W1138-Y1181 HydrophobicContact CB-CD2 4.33Å; W1138-Y1181 HydrophobicContact CB-CE1 3.68Å; W1138-Y1181 VanDerWaalsContact CB-CE1 3.45Å; W1138-Y1181 HydrophobicContact CB-CE2 3.94Å; W1138-Y1181 HydrophobicContact CB-CG 4.45Å; W1138-Y1181 VanDerWaalsContact CB-CZ 3.47Å; W1138-Y1181 WeakPolarHBondContact CB-O 3.38Å; W1138-Y1181 HydrophobicContact CD2-CE2 4.37Å; W1138-Y1181 HydrophobicContact CE3-CD2 4.23Å; W1138-Y1181 AromaticContact CE3-CE2 3.85Å; W1138-Y1181 HydrophobicContact CE3-CE2 3.85Å; W1138-Y1181 HydrophobicContact CG-CE2 4.39Å; W1138-Y1181 PolarHBondContact N-O 2.99Å; W1138-Y1181 VanDerWaalsContact O-CD1 3.28Å; W1138-Y1181 WeakPolarHBondContact O-CD1 3.35Å; W1138-Y1181 PolarHBondContact O-N 3.28Å; W1138-Y1181 VanDerWaalsContact O-O 3.13Å; R1140-Y1181 HydrophobicContact CB-CD1 4.42Å; R1140-Y1181 HydrophobicContact CB-CE1 3.84Å; R1140-Y1181 HydrophobicContact CG-CD1 4.01Å; R1140-Y1181 HydrophobicContact CG-CE1 3.65Å; Y1181-D1184 WeakPolarHBondContact CE2-OD1 3.38Å; Y1181-D1184 PolarHBondContact OH-OD1 3.01Å; Y1181-L1185 HydrophobicContact CD2-CD2 3.7Å; Y1181-L1185 HydrophobicContact CE2-CD2 3.62Å
1182N80.2Confident81.3Confident2 Ų247.9 Ų47.91%0.01127%0.269CS..SBendtrans-106.7-61.5-177.621.333.2000112.2N1096 N1098 P1100 D1128 F1134 R1136 W1138 D1184 M1188N1096-N1182 VanDerWaalsContact ND2-CG 3.32Å; N1096-N1182 PolarHBondContact ND2-ND2 3Å; N1096-N1182 VanDerWaalsContact ND2-ND2 3.18Å; N1096-N1182 PolarHBondContact ND2-OD1 2.88Å; N1096-N1182 PolarHBondContact OD1-ND2 2.99Å; N1096-N1182 PolarHBondContact OD1-OD1 2.77Å; N1098-N1182 PolarHBondContact O-ND2 2.86Å; P1100-N1182 WeakPolarHBondContact CD-OD1 3.3Å; P1100-N1182 HydrophobicContact CG-CB 4.14Å; P1100-N1182 WeakPolarHBondContact CG-OD1 3.35Å; D1128-N1182 WeakPolarHBondContact OD2-CB 3.4Å; D1128-N1182 PolarHBondContact OD2-ND2 2.82Å; F1134-N1182 VanDerWaalsContact O-CB 3.29Å; F1134-N1182 WeakPolarHBondContact O-CB 3.33Å; F1134-N1182 PolarHBondContact O-ND2 3.09Å; R1136-N1182 WeakPolarHBondContact O-CA 3.36Å; R1136-N1182 WeakPolarHBondContact O-CB 3.49Å; W1138-N1182 VanDerWaalsContact CZ3-O 3.31Å; W1138-N1182 WeakPolarHBondContact CZ3-O 3.2Å; W1138-N1182 PolarHBondContact NE1-O 3.44Å; W1138-N1182 VanDerWaalsContact NE1-O 3.1Å; N1182-D1184 VanDerWaalsContact C-N 3.32Å; N1182-D1184 PolarHBondContact O-N 2.89Å; N1182-M1188 VanDerWaalsContact OD1-CB 3.27Å; N1182-M1188 WeakPolarHBondContact OD1-CB 3.4Å; N1182-M1188 PolarHBondContact OD1-O 3.2Å; N1182-M1188 VanDerWaalsContact OD1-O 3.11Å
1183H70.7Confident81.6Confident103.2 Ų103.251 Ų5148%0.47827%0.27SS..SBendtrans-114.5129.2177.9-163.982.6000111.5N1096 F1134 W1138 L1185 G1186N1096-H1183 PolarHBondContact OD1-N 2.99Å; F1134-H1183 HydrophobicContact CD1-CB 4.05Å; F1134-H1183 HydrophobicContact CE1-CB 4.12Å; W1138-H1183 HydrophobicContact CH2-CB 4.45Å; W1138-H1183 AromaticContact CH2-CE1 3.83Å; W1138-H1183 AromaticContact CH2-ND1 3.43Å; W1138-H1183 WeakPolarHBondContact CH2-ND1 3.35Å; W1138-H1183 AromaticContact CZ2-ND1 3.62Å; W1138-H1183 HydrophobicContact CZ3-CB 3.94Å; W1138-H1183 AromaticContact CZ3-ND1 3.91Å; H1183-L1185 VanDerWaalsContact C-N 3.33Å; H1183-L1185 PolarHBondContact O-N 2.98Å; H1183-L1185 VanDerWaalsContact O-N 3.15Å; H1183-G1186 PolarHBondContact O-N 3.19Å
1184D65Low81.7Confident93.4 Ų93.448.7 Ų48.750%0.49925%0.254SS..THydrogen-bonded Turntrans-69.1-6.1-173.6-97.7-33.9000113.8R1140 Y1181 N1182 G1186R1140-D1184 IonicContact CZ-OD1 2.71Å; R1140-D1184 IonicContact NH1-OD1 3.56Å; R1140-D1184 PolarHBondContact NH1-OD1 3.01Å; Y1181-D1184 WeakPolarHBondContact CE2-OD1 3.38Å; Y1181-D1184 PolarHBondContact OH-OD1 3.01Å; N1182-D1184 VanDerWaalsContact C-N 3.32Å; N1182-D1184 PolarHBondContact O-N 2.89Å; D1184-G1186 PolarHBondContact O-N 2.81Å; D1184-G1186 PolarHBondContact OD1-N 2.79Å; D1184-G1186 VanDerWaalsContact OD2-CA 3.22Å; D1184-G1186 WeakPolarHBondContact OD2-CA 3.21Å; D1184-G1186 PolarHBondContact OD2-N 2.83Å
1185L60.9Low81.8Confident139.4 Ų139.449.4 Ų49.473%0.7326%0.258SS*.THydrogen-bonded Turntrans-110.221-174.3-68.3166.4000113.5R1140 Y1181 H1183 R1189R1140-L1185 VanDerWaalsContact NH1-CD2 3.26Å; Y1181-L1185 HydrophobicContact CD2-CD2 3.7Å; Y1181-L1185 HydrophobicContact CE2-CD2 3.62Å; H1183-L1185 VanDerWaalsContact C-N 3.33Å; H1183-L1185 PolarHBondContact O-N 2.98Å; H1183-L1185 VanDerWaalsContact O-N 3.15Å; L1185-R1189 PolarHBondContact O-NH2 2.71Å
1186G63.5Low81.8Confident20.2 Ų20.245.8 Ų45.821%0.20824%0.236CC..SBendtrans-94.7-176.3-177.500000115.6H1183 D1184 M1188 R1189H1183-G1186 PolarHBondContact O-N 3.19Å; D1184-G1186 PolarHBondContact O-N 2.81Å; D1184-G1186 PolarHBondContact OD1-N 2.79Å; D1184-G1186 VanDerWaalsContact OD2-CA 3.22Å; D1184-G1186 WeakPolarHBondContact OD2-CA 3.21Å; D1184-G1186 PolarHBondContact OD2-N 2.83Å; G1186-M1188 VanDerWaalsContact C-N 3.3Å; G1186-R1189 VanDerWaalsContact O-CZ 3.29Å; G1186-R1189 PolarHBondContact O-NE 2.86Å; G1186-R1189 PolarHBondContact O-NH1 3Å; G1186-R1189 PolarHBondContact O-NH2 2.86Å
1187P66.2Low81.7Confident103.6 Ų103.650.6 Ų50.667%0.67326%0.255SS*.SBendtrans-77.7-18172.733-34.5000113R1189P1187-R1189 VanDerWaalsContact O-CG 3.26Å; P1187-R1189 WeakPolarHBondContact O-CG 3.17Å; P1187-R1189 PolarHBondContact O-N 3.22Å
1188M72.7Confident81.6Confident47.4 Ų47.449 Ų4923%0.23325%0.248CC..  trans-79.397.9-175.4-60.2-45.6-175.800112.1N1096 D1097 N1098 R1099 N1182 G1186N1096-M1188 WeakPolarHBondContact ND2-CG 3.19Å; N1096-M1188 WeakPolarHBondContact O-CG 3.19Å; N1096-M1188 WeakPolarHBondContact OD1-CB 3.32Å; N1096-M1188 WeakPolarHBondContact OD1-CG 3.1Å; D1097-M1188 VanDerWaalsContact O-CE 3.25Å; D1097-M1188 WeakPolarHBondContact O-CE 3.29Å; D1097-M1188 WeakPolarHBondContact O-CG 3.33Å; N1098-M1188 VanDerWaalsContact O-CB 3.28Å; N1098-M1188 WeakPolarHBondContact O-CB 3.27Å; N1098-M1188 VanDerWaalsContact O-CG 3.28Å; N1098-M1188 WeakPolarHBondContact O-CG 3.29Å; R1099-M1188 HydrophobicContact CB-CB 4.06Å; R1099-M1188 HydrophobicContact CB-SD 4.15Å; N1182-M1188 VanDerWaalsContact OD1-CB 3.27Å; N1182-M1188 WeakPolarHBondContact OD1-CB 3.4Å; N1182-M1188 PolarHBondContact OD1-O 3.2Å; N1182-M1188 VanDerWaalsContact OD1-O 3.11Å; G1186-M1188 VanDerWaalsContact C-N 3.3Å
1189R83.3Confident81.2Confident112.4 Ų112.454.1 Ų54.142%0.42427%0.271SS..EExtended strand (participates in β ladder)trans-162.6151-177.140.5179.9161.6-161.7-7.3110.3E1179 A1180 L1185 G1186 P1187E1179-R1189 HydrophobicContact CG-CB 4.04Å; E1179-R1189 WeakPolarHBondContact OE1-CD 3.28Å; E1179-R1189 WeakPolarHBondContact OE1-CG 3.45Å; E1179-R1189 IonicContact OE1-CZ 2.75Å; E1179-R1189 IonicContact OE1-NE 3Å; E1179-R1189 PolarHBondContact OE1-NE 3.12Å; E1179-R1189 IonicContact OE1-NH1 2.84Å; E1179-R1189 PolarHBondContact OE1-NH1 3.12Å; A1180-R1189 CarbonylContact O-C 3.57Å; A1180-R1189 VanDerWaalsContact O-CA 3.27Å; A1180-R1189 WeakPolarHBondContact O-CA 3.3Å; A1180-R1189 VanDerWaalsContact O-CB 3.27Å; A1180-R1189 WeakPolarHBondContact O-CB 3.32Å; L1185-R1189 PolarHBondContact O-NH2 2.71Å; G1186-R1189 VanDerWaalsContact O-CZ 3.29Å; G1186-R1189 PolarHBondContact O-NE 2.86Å; G1186-R1189 PolarHBondContact O-NH1 3Å; G1186-R1189 PolarHBondContact O-NH2 2.86Å; P1187-R1189 VanDerWaalsContact O-CG 3.26Å; P1187-R1189 WeakPolarHBondContact O-CG 3.17Å; P1187-R1189 PolarHBondContact O-N 3.22Å
1190S85.5Confident80.8Confident24.8 Ų24.856.5 Ų56.517%0.17328%0.284CS..EExtended strand (participates in β ladder)trans-125.7161.6166.269.80000110.8P1100 F1102 E1179 A1180P1100-S1190 WeakPolarHBondContact O-CB 3.27Å; P1100-S1190 PolarHBondContact O-OG 3.09Å; F1102-S1190 VanDerWaalsContact CD2-OG 3.26Å; F1102-S1190 WeakPolarHBondContact CD2-OG 3.38Å; F1102-S1190 WeakPolarHBondContact CE2-OG 3.31Å; E1179-S1190 CarbonylContact C-O 3.53Å; E1179-S1190 VanDerWaalsContact CA-O 3.24Å; E1179-S1190 WeakPolarHBondContact CA-O 3.37Å; E1179-S1190 VanDerWaalsContact CG-O 3.31Å; E1179-S1190 WeakPolarHBondContact CG-O 3.16Å; A1180-S1190 PolarHBondContact N-O 3.1Å; A1180-S1190 PolarHBondContact O-N 3.08Å; A1180-S1190 VanDerWaalsContact O-N 3.14Å
1191S88.1Confident80.6Confident69.6 Ų69.658.8 Ų58.849%0.48730%0.298SS..EExtended strand (participates in β ladder)trans-133.4139.9178.859.40000111.3M1177 V1178M1177-S1191 VanDerWaalsContact CE-CB 3.49Å; M1177-S1191 VanDerWaalsContact CE-OG 3.25Å; M1177-S1191 WeakPolarHBondContact CE-OG 3.35Å; V1178-S1191 CarbonylContact O-C 3.43Å; V1178-S1191 VanDerWaalsContact O-CA 3.27Å; V1178-S1191 WeakPolarHBondContact O-CA 3.33Å; V1178-S1191 WeakPolarHBondContact O-CB 3.49Å
1192V89.8Confident80.5Confident5.2 Ų5.259.1 Ų59.13%0.03230%0.302CS..EExtended strand (participates in β ladder)trans-128.2145.7-180730000110.6F1102 Q1104 S1105 Y1107 L1124 M1177 V1178 V1194F1102-V1192 HydrophobicContact CB-CB 4.32Å; F1102-V1192 HydrophobicContact CB-CG1 4.49Å; F1102-V1192 HydrophobicContact CB-CG2 4.4Å; F1102-V1192 HydrophobicContact CD1-CB 4.24Å; F1102-V1192 HydrophobicContact CD1-CG1 3.68Å; F1102-V1192 HydrophobicContact CD2-CB 3.68Å; F1102-V1192 HydrophobicContact CD2-CG1 3.83Å; F1102-V1192 HydrophobicContact CE1-CB 4.43Å; F1102-V1192 HydrophobicContact CE1-CG1 3.56Å; F1102-V1192 VanDerWaalsContact CE1-CG1 3.48Å; F1102-V1192 HydrophobicContact CE2-CB 3.92Å; F1102-V1192 HydrophobicContact CE2-CG1 3.71Å; F1102-V1192 HydrophobicContact CG-CB 3.85Å; F1102-V1192 HydrophobicContact CG-CG1 3.81Å; F1102-V1192 HydrophobicContact CG-CG2 4.41Å; F1102-V1192 HydrophobicContact CZ-CB 4.3Å; F1102-V1192 HydrophobicContact CZ-CG1 3.57Å; Q1104-V1192 WeakPolarHBondContact O-CG2 3.26Å; S1105-V1192 WeakPolarHBondContact O-CG2 3.4Å; Y1107-V1192 HydrophobicContact CD2-CB 4.48Å; Y1107-V1192 HydrophobicContact CD2-CG1 4.05Å; Y1107-V1192 HydrophobicContact CD2-CG2 3.9Å; Y1107-V1192 HydrophobicContact CE2-CG1 4.22Å; Y1107-V1192 HydrophobicContact CE2-CG2 4.06Å; L1124-V1192 HydrophobicContact CD2-CG1 3.85Å; M1177-V1192 WeakPolarHBondContact CE-O 3.36Å; V1178-V1192 HydrophobicContact CB-CG1 4.27Å; V1178-V1192 PolarHBondContact N-O 3.1Å; V1178-V1192 PolarHBondContact O-N 3.29Å; V1192-V1194 HydrophobicContact CG1-CG2 4.33Å
1193R89.2Confident80.5Confident138.2 Ų138.264.3 Ų64.352%0.52233%0.329SS..EExtended strand (participates in β ladder)trans-82.8131.4174.4-84.2-177.2-27.41711.3109.9S1106 Y1107 V1175 L1176 M1177S1106-R1193 VanDerWaalsContact CA-O 3.31Å; S1106-R1193 WeakPolarHBondContact CA-O 3.4Å; Y1107-R1193 PolarHBondContact N-O 3.1Å; Y1107-R1193 VanDerWaalsContact N-O 3.08Å; V1175-R1193 HydrophobicContact CG1-CG 4.05Å; L1176-R1193 WeakPolarHBondContact O-CA 3.31Å; M1177-R1193 HydrophobicContact CE-CB 4.39Å; M1177-R1193 HydrophobicContact CE-CG 3.74Å; M1177-R1193 HydrophobicContact SD-CG 3.84Å
1194V89.7Confident81.1Confident0 Ų062.2 Ų62.20%032%0.32CS..EExtended strand (participates in β ladder)trans-121121172.4-170.70000108.4Y1107 V1122 L1124 L1159 V1175 L1176 V1178 V1192 V1196Y1107-V1194 HydrophobicContact CD2-CG2 4.38Å; Y1107-V1194 CarbonylContact O-C 3.48Å; Y1107-V1194 VanDerWaalsContact O-CA 3.27Å; Y1107-V1194 WeakPolarHBondContact O-CA 3.39Å; V1122-V1194 HydrophobicContact CG1-CG1 3.8Å; L1124-V1194 HydrophobicContact CD1-CG2 4.07Å; L1124-V1194 HydrophobicContact CD2-CB 4.5Å; L1124-V1194 HydrophobicContact CD2-CG1 4.29Å; L1124-V1194 HydrophobicContact CD2-CG2 3.7Å; L1124-V1194 VanDerWaalsContact CD2-CG2 3.41Å; L1124-V1194 HydrophobicContact CG-CG2 4.35Å; L1159-V1194 HydrophobicContact CD2-CG1 4.14Å; V1175-V1194 CarbonylContact C-O 3.52Å; L1176-V1194 WeakPolarHBondContact CA-O 3.27Å; L1176-V1194 HydrophobicContact CB-CB 4.27Å; L1176-V1194 WeakPolarHBondContact CB-O 3.47Å; L1176-V1194 PolarHBondContact N-O 3.06Å; L1176-V1194 PolarHBondContact O-N 3.03Å; V1178-V1194 HydrophobicContact CB-CG2 4.24Å; V1178-V1194 HydrophobicContact CG2-CB 4.39Å; V1178-V1194 HydrophobicContact CG2-CG2 3.67Å; V1192-V1194 HydrophobicContact CG1-CG2 4.33Å; V1194-V1196 HydrophobicContact CG1-CG2 4.38Å
1195I88.9Confident81.8Confident26.2 Ų26.259.5 Ų59.513%0.13431%0.31CS..EExtended strand (participates in β ladder)trans-104.6122.9179.1-49.3179.7000108.4Y1107 E1108 A1109 V1175 Y1197Y1107-I1195 PolarHBondContact O-N 3.11Å; E1108-I1195 CarbonylContact C-O 3.42Å; E1108-I1195 WeakPolarHBondContact CA-O 3.31Å; E1108-I1195 HydrophobicContact CG-CB 4.23Å; E1108-I1195 HydrophobicContact CG-CD1 4.39Å; E1108-I1195 HydrophobicContact CG-CG1 4.34Å; E1108-I1195 WeakPolarHBondContact OE1-CD1 3.3Å; A1109-I1195 PolarHBondContact N-O 3Å; A1109-I1195 VanDerWaalsContact N-O 3.1Å; V1175-I1195 HydrophobicContact CG2-CG1 4.4Å; V1175-I1195 HydrophobicContact CG2-CG2 4.44Å; I1195-Y1197 HydrophobicContact CB-CE2 4.38Å; I1195-Y1197 HydrophobicContact CG2-CD1 4.37Å; I1195-Y1197 HydrophobicContact CG2-CD2 4.38Å; I1195-Y1197 HydrophobicContact CG2-CE1 3.95Å; I1195-Y1197 HydrophobicContact CG2-CE2 3.93Å
1196V88.7Confident83.1Confident0 Ų053 Ų530%028%0.277CS..EExtended strand (participates in β ladder)trans-113.2118.8172.5-172.20000108.7A1109 V1111 I1121 F1150 L1159 S1173 H1174 L1176 V1194A1109-V1196 CarbonylContact O-C 3.5Å; A1109-V1196 VanDerWaalsContact O-CA 3.31Å; A1109-V1196 WeakPolarHBondContact O-CA 3.35Å; V1111-V1196 HydrophobicContact CG2-CG1 3.74Å; I1121-V1196 HydrophobicContact CG2-CG1 4.13Å; I1121-V1196 HydrophobicContact CG2-CG2 4.2Å; F1150-V1196 HydrophobicContact CE1-CB 4.18Å; F1150-V1196 HydrophobicContact CE1-CG1 3.89Å; F1150-V1196 HydrophobicContact CE1-CG2 4.13Å; F1150-V1196 HydrophobicContact CE2-CB 4.47Å; F1150-V1196 HydrophobicContact CZ-CB 4Å; F1150-V1196 HydrophobicContact CZ-CG1 4.01Å; F1150-V1196 HydrophobicContact CZ-CG2 4.25Å; L1159-V1196 HydrophobicContact CD2-CG2 4Å; S1173-V1196 CarbonylContact C-O 3.55Å; S1173-V1196 VanDerWaalsContact CA-O 3.26Å; S1173-V1196 WeakPolarHBondContact CA-O 3.31Å; H1174-V1196 HydrophobicContact CB-CB 4.47Å; H1174-V1196 PolarHBondContact N-O 3.3Å; H1174-V1196 PolarHBondContact O-N 3.06Å; L1176-V1196 HydrophobicContact CD1-CG2 4.33Å; V1194-V1196 HydrophobicContact CG1-CG2 4.38Å
1197Y86.7Confident84.1Confident99.6 Ų99.656.3 Ų56.339%0.39129%0.293SS..EExtended strand (participates in β ladder)trans-88.5141.5171.4-57.2-77.9000109.8E1108 A1109 S1110 V1111 I1195E1108-Y1197 HydrophobicContact CB-CE2 4.34Å; E1108-Y1197 HydrophobicContact CG-CE2 4.38Å; E1108-Y1197 WeakPolarHBondContact OE2-CE2 3.41Å; E1108-Y1197 PolarHBondContact OE2-OH 3.21Å; A1109-Y1197 WeakPolarHBondContact O-CD2 3.28Å; A1109-Y1197 PolarHBondContact O-N 2.97Å; S1110-Y1197 WeakPolarHBondContact CA-O 3.38Å; V1111-Y1197 PolarHBondContact N-O 2.96Å; V1111-Y1197 VanDerWaalsContact O-O 3.05Å; I1195-Y1197 HydrophobicContact CB-CE2 4.38Å; I1195-Y1197 HydrophobicContact CG2-CD1 4.37Å; I1195-Y1197 HydrophobicContact CG2-CD2 4.38Å; I1195-Y1197 HydrophobicContact CG2-CE1 3.95Å; I1195-Y1197 HydrophobicContact CG2-CE2 3.93Å
1198V87.5Confident85Confident11.4 Ų11.452.3 Ų52.37%0.06926%0.264CS..EExtended strand (participates in β ladder)trans-109124.6-179.4-170.40000109.1V1111 E1113 L1166 R1168 N1171 S1172V1111-V1198 CarbonylContact O-C 3.45Å; V1111-V1198 VanDerWaalsContact O-CA 3.3Å; V1111-V1198 WeakPolarHBondContact O-CA 3.27Å; E1113-V1198 HydrophobicContact CB-CG1 3.67Å; L1166-V1198 HydrophobicContact CB-CG1 4.04Å; L1166-V1198 HydrophobicContact CD1-CG1 4.32Å; L1166-V1198 HydrophobicContact CD1-CG2 4.29Å; L1166-V1198 HydrophobicContact CD2-CG1 4.44Å; L1166-V1198 HydrophobicContact CD2-CG2 4.26Å; R1168-V1198 HydrophobicContact CB-CB 4.26Å; R1168-V1198 HydrophobicContact CB-CG1 3.89Å; R1168-V1198 WeakPolarHBondContact CD-O 3.05Å; R1168-V1198 HydrophobicContact CG-CB 4.18Å; R1168-V1198 HydrophobicContact CG-CG1 4.2Å; R1168-V1198 WeakPolarHBondContact CG-O 2.83Å; N1171-V1198 WeakPolarHBondContact O-CG2 3.31Å; S1172-V1198 PolarHBondContact O-N 2.95Å
1199E82.5Confident85.4Confident105.8 Ų105.854.2 Ų54.249%0.49428%0.279SS..EExtended strand (participates in β ladder)trans-94.5148.3177.5-56.9179.7160.100110.6S1110 V1111 P1112 E1113S1110-E1199 WeakPolarHBondContact CB-OE1 3.39Å; V1111-E1199 PolarHBondContact O-N 3.05Å; P1112-E1199 CarbonylContact C-O 3.46Å; P1112-E1199 WeakPolarHBondContact CA-O 3.31Å; P1112-E1199 HydrophobicContact CB-CB 4.47Å; E1113-E1199 VanDerWaalsContact CB-O 3.26Å; E1113-E1199 WeakPolarHBondContact CB-O 3.23Å; E1113-E1199 VanDerWaalsContact CG-O 3.23Å; E1113-E1199 WeakPolarHBondContact CG-O 2.91Å; E1113-E1199 PolarHBondContact N-O 2.93Å; E1113-E1199 VanDerWaalsContact N-O 3.14Å
1200D83.4Confident85.3Confident58.2 Ų58.253.5 Ų53.531%0.31128%0.28SS..  trans-81.3137.3-164.9-169.833.6000114.2E1113 R1168 T1238E1113-D1200 VanDerWaalsContact OE1-C 3.32Å; E1113-D1200 WeakPolarHBondContact OE1-CA 3.33Å; R1168-D1200 IonicContact CZ-OD1 3.32Å; R1168-D1200 IonicContact CZ-OD2 2.94Å; R1168-D1200 VanDerWaalsContact NE-CB 3.3Å; R1168-D1200 VanDerWaalsContact NE-CG 3.31Å; R1168-D1200 IonicContact NE-OD1 2.79Å; R1168-D1200 PolarHBondContact NE-OD1 3.08Å; R1168-D1200 IonicContact NE-OD2 3.33Å; R1168-D1200 IonicContact NH1-OD1 3.75Å; R1168-D1200 PolarHBondContact NH1-OD1 3.48Å; R1168-D1200 VanDerWaalsContact NH1-OD1 3.07Å; R1168-D1200 IonicContact NH1-OD2 2.76Å; R1168-D1200 PolarHBondContact NH1-OD2 3.46Å; R1168-D1200 VanDerWaalsContact NH2-CG 3.31Å; R1168-D1200 IonicContact NH2-OD1 2.92Å; R1168-D1200 PolarHBondContact NH2-OD1 3.24Å; R1168-D1200 VanDerWaalsContact NH2-OD1 3.13Å; R1168-D1200 IonicContact NH2-OD2 2.87Å; R1168-D1200 PolarHBondContact NH2-OD2 2.75Å; D1200-T1238 WeakPolarHBondContact CB-OG1 3.3Å; D1200-T1238 VanDerWaalsContact CG-OG1 3.24Å; D1200-T1238 PolarHBondContact OD1-N 2.93Å; D1200-T1238 PolarHBondContact OD1-OG1 3.37Å; D1200-T1238 VanDerWaalsContact OD2-CA 3.24Å; D1200-T1238 WeakPolarHBondContact OD2-CA 3.29Å; D1200-T1238 VanDerWaalsContact OD2-CB 3.31Å; D1200-T1238 WeakPolarHBondContact OD2-CB 3.32Å; D1200-T1238 PolarHBondContact OD2-N 3.3Å; D1200-T1238 VanDerWaalsContact OD2-O 3.1Å; D1200-T1238 PolarHBondContact OD2-OG1 2.96Å
1201V83.9Confident85Confident48.4 Ų48.460.1 Ų60.129%0.29331%0.308SS..  trans-132.8130.3173.3-179.60000110P1112 E1113 D1114 D1203P1112-V1201 HydrophobicContact CB-CG2 4.11Å; E1113-V1201 HydrophobicContact CG-CB 4.08Å; E1113-V1201 HydrophobicContact CG-CG2 4.06Å; E1113-V1201 PolarHBondContact OE1-N 3Å; D1114-V1201 HydrophobicContact CB-CB 4.18Å; D1114-V1201 HydrophobicContact CB-CG1 4Å; D1114-V1201 HydrophobicContact CB-CG2 4.29Å; V1201-D1203 VanDerWaalsContact C-N 3.32Å; V1201-D1203 WeakPolarHBondContact O-CB 3.29Å; V1201-D1203 PolarHBondContact O-N 3.07Å; V1201-D1203 VanDerWaalsContact O-N 3.15Å
1202N83.4Confident84.7Confident32.6 Ų32.661.2 Ų61.217%0.17431%0.306CS..  trans-70.392.4-177.9-170.772000112.4D1237 G1241 D1287 A1289 P1290 P1291 N1293N1202-D1237 VanDerWaalsContact C-OD2 3.24Å; N1202-D1237 VanDerWaalsContact CA-OD2 3.27Å; N1202-D1237 WeakPolarHBondContact CA-OD2 3.36Å; N1202-D1237 PolarHBondContact ND2-OD2 2.92Å; N1202-D1237 PolarHBondContact OD1-OD2 2.84Å; N1202-G1241 WeakPolarHBondContact OD1-CA 3.4Å; N1202-G1241 PolarHBondContact OD1-O 2.72Å; N1202-D1287 VanDerWaalsContact ND2-CG 3.35Å; N1202-D1287 PolarHBondContact ND2-OD1 2.82Å; N1202-D1287 PolarHBondContact ND2-OD2 2.96Å; N1202-A1289 HydrophobicContact CB-CB 4.11Å; N1202-A1289 PolarHBondContact ND2-O 3.34Å; N1202-P1290 PolarHBondContact ND2-O 3.26Å; N1202-P1291 WeakPolarHBondContact ND2-CD 3.34Å; N1202-N1293 PolarHBondContact ND2-ND2 3.21Å
1203D81.5Confident84.5Confident110.4 Ų110.461.4 Ų61.459%0.5931%0.306SS*.  trans-130.6-8.6-173.9105-34.5000115.1V1201 D1237V1201-D1203 VanDerWaalsContact C-N 3.32Å; V1201-D1203 WeakPolarHBondContact O-CB 3.29Å; V1201-D1203 PolarHBondContact O-N 3.07Å; V1201-D1203 VanDerWaalsContact O-N 3.15Å; D1203-D1237 PolarHBondContact N-OD1 2.96Å; D1203-D1237 VanDerWaalsContact N-OD1 3.12Å; D1203-D1237 PolarHBondContact N-OD2 3.1Å
1204E82Confident84.2Confident60 Ų6058.7 Ų58.728%0.2830%0.302SS..  trans-89.2178.5171-74.4-92.6-178.900112E1169 R1170 D1235 K1236 D1237 N1293E1169-E1204 HydrophobicContact CG-CG 4.23Å; R1170-E1204 IonicContact NH2-OE1 2.76Å; R1170-E1204 PolarHBondContact NH2-OE1 2.8Å; E1204-D1235 WeakPolarHBondContact CB-OD1 3.47Å; E1204-K1236 HydrophobicContact CB-CB 4.28Å; E1204-K1236 HydrophobicContact CG-CB 4.16Å; E1204-K1236 HydrophobicContact CG-CD 4.43Å; E1204-K1236 HydrophobicContact CG-CG 4.33Å; E1204-K1236 IonicContact OE1-NZ 3.23Å; E1204-K1236 PolarHBondContact OE1-NZ 2.95Å; E1204-K1236 IonicContact OE2-NZ 3Å; E1204-K1236 PolarHBondContact OE2-NZ 3.09Å; E1204-D1237 WeakPolarHBondContact CB-OD1 3.36Å; E1204-D1237 PolarHBondContact N-OD1 3.05Å; E1204-D1237 PolarHBondContact N-OD2 3.07Å; E1204-N1293 PolarHBondContact O-ND2 3.02Å; E1204-N1293 VanDerWaalsContact O-ND2 3.08Å
1205A81.1Confident83.9Confident36.2 Ų36.263.9 Ų63.930%0.29932%0.322SS..  trans-144.9152.3-173.500000112.4V1207 D1235 N1293A1205-V1207 WeakPolarHBondContact O-CG2 3.26Å; A1205-V1207 PolarHBondContact O-N 3Å; A1205-D1235 VanDerWaalsContact CA-OD2 3.28Å; A1205-D1235 WeakPolarHBondContact CA-OD2 3.34Å; A1205-D1235 PolarHBondContact N-OD1 3.17Å; A1205-D1235 PolarHBondContact N-OD2 3.24Å; A1205-N1293 HydrophobicContact CB-CB 3.59Å; A1205-N1293 VanDerWaalsContact CB-CB 3.46Å
1206P87Confident83.5Confident3 Ų367.8 Ų67.82%0.01934%0.343CS..  trans-72.3115.6-172-11.820.2000112.7F1208 A1233 T1234 D1235 V1244 A1285 D1287 N1293 G1295P1206-F1208 PolarHBondContact O-N 3.17Å; P1206-A1233 HydrophobicContact CB-CB 4.35Å; P1206-T1234 CarbonylContact C-O 3.15Å; P1206-T1234 WeakPolarHBondContact CA-O 3.19Å; P1206-D1235 WeakPolarHBondContact CA-OD2 3.42Å; P1206-D1235 HydrophobicContact CB-CB 4.38Å; P1206-D1235 VanDerWaalsContact CD-OD2 3.29Å; P1206-D1235 WeakPolarHBondContact CD-OD2 3.29Å; P1206-D1235 HydrophobicContact CG-CB 4.43Å; P1206-D1235 VanDerWaalsContact CG-OD2 3.3Å; P1206-D1235 WeakPolarHBondContact CG-OD2 3.26Å; P1206-V1244 HydrophobicContact CB-CB 4.33Å; P1206-V1244 HydrophobicContact CB-CG1 3.93Å; P1206-V1244 HydrophobicContact CB-CG2 4.04Å; P1206-V1244 HydrophobicContact CG-CG1 4.37Å; P1206-V1244 HydrophobicContact CG-CG2 4.28Å; P1206-A1285 HydrophobicContact CB-CB 4.04Å; P1206-D1287 HydrophobicContact CB-CB 4.4Å; P1206-D1287 WeakPolarHBondContact CD-OD2 3.38Å; P1206-D1287 HydrophobicContact CG-CB 4.02Å; P1206-N1293 WeakPolarHBondContact CD-O 3.19Å; P1206-G1295 VanDerWaalsContact O-CA 3.27Å; P1206-G1295 WeakPolarHBondContact O-CA 3.22Å
1207V84Confident82.9Confident90.2 Ų90.269.6 Ų69.655%0.54736%0.361SS..EExtended strand (participates in β ladder)trans-103.5121-177.8-177.90000111.4A1205 T1209 A1233 T1234A1205-V1207 WeakPolarHBondContact O-CG2 3.26Å; A1205-V1207 PolarHBondContact O-N 3Å; V1207-T1209 PolarHBondContact O-N 3.18Å; V1207-A1233 VanDerWaalsContact C-CB 3.5Å; V1207-A1233 CarbonylContact O-C 3.57Å; V1207-A1233 VanDerWaalsContact O-CA 3.31Å; V1207-A1233 WeakPolarHBondContact O-CA 3.21Å; V1207-A1233 WeakPolarHBondContact O-CB 3.33Å; V1207-T1234 PolarHBondContact N-O 2.93Å; V1207-T1234 PolarHBondContact O-N 3.01Å
1208F86.4Confident82.7Confident18.2 Ų18.265.5 Ų65.58%0.0835%0.345CS..EExtended strand (participates in β ladder)trans-66.8139.9172.2-81.1-79.4000112.9P1206 Q1210 Y1213 V1231 R1232 A1233 Y1246 V1283 S1284 A1285 G1295 F1296 C1297P1206-F1208 PolarHBondContact O-N 3.17Å; F1208-Q1210 VanDerWaalsContact C-N 3.27Å; F1208-Q1210 VanDerWaalsContact CB-O 3.25Å; F1208-Q1210 WeakPolarHBondContact CB-O 3.36Å; F1208-Q1210 PolarHBondContact O-N 2.96Å; F1208-Y1213 HydrophobicContact CB-CE2 4.12Å; F1208-Y1213 AromaticContact CD1-CE2 3.68Å; F1208-Y1213 HydrophobicContact CD1-CE2 4.07Å; F1208-Y1213 AromaticContact CD1-CZ 3.99Å; F1208-Y1213 HydrophobicContact CE1-CE2 4.46Å; F1208-Y1213 HydrophobicContact CG-CE2 4.2Å; F1208-V1231 HydrophobicContact CD1-CB 4.32Å; F1208-V1231 HydrophobicContact CD1-CG2 4.05Å; F1208-V1231 HydrophobicContact CE1-CB 3.95Å; F1208-V1231 HydrophobicContact CE1-CG2 3.79Å; F1208-V1231 HydrophobicContact CZ-CG2 4.22Å; F1208-R1232 CarbonylContact C-O 3.3Å; F1208-R1232 WeakPolarHBondContact CA-O 3.36Å; F1208-R1232 VanDerWaalsContact CD1-O 3.25Å; F1208-R1232 WeakPolarHBondContact CD1-O 3.27Å; F1208-A1233 HydrophobicContact CB-CB 4.42Å; F1208-A1233 HydrophobicContact CD1-CB 3.87Å; F1208-A1233 HydrophobicContact CD2-CB 4.3Å; F1208-A1233 HydrophobicContact CE1-CB 4.09Å; F1208-A1233 HydrophobicContact CG-CB 3.97Å; F1208-A1233 HydrophobicContact CZ-CB 4.42Å; F1208-Y1246 HydrophobicContact CD1-CD1 4.37Å; F1208-Y1246 HydrophobicContact CD1-CE1 4.44Å; F1208-Y1246 AromaticContact CE1-CD1 3.81Å; F1208-Y1246 HydrophobicContact CE1-CD1 3.81Å; F1208-Y1246 AromaticContact CE1-CE1 3.77Å; F1208-Y1246 HydrophobicContact CE1-CE1 3.89Å; F1208-Y1246 AromaticContact CE1-CG 3.88Å; F1208-Y1246 HydrophobicContact CE1-CG 3.88Å; F1208-Y1246 AromaticContact CZ-CD1 3.93Å; F1208-Y1246 HydrophobicContact CZ-CD1 4.02Å; F1208-Y1246 HydrophobicContact CZ-CE1 4.26Å; F1208-Y1246 HydrophobicContact CZ-CG 4.3Å; F1208-V1283 HydrophobicContact CE1-CG1 4.28Å; F1208-V1283 HydrophobicContact CZ-CB 4.48Å; F1208-V1283 HydrophobicContact CZ-CG1 4.19Å; F1208-S1284 VanDerWaalsContact CE2-C 3.43Å; F1208-S1284 VanDerWaalsContact CZ-C 3.45Å; F1208-S1284 WeakPolarHBondContact CZ-O 3.32Å; F1208-A1285 HydrophobicContact CD2-CB 4.18Å; F1208-A1285 HydrophobicContact CE1-CB 4.23Å; F1208-A1285 HydrophobicContact CE2-CB 3.42Å; F1208-A1285 VanDerWaalsContact CE2-CB 3.44Å; F1208-A1285 HydrophobicContact CZ-CB 3.51Å; F1208-A1285 VanDerWaalsContact CZ-CB 3.46Å; F1208-G1295 VanDerWaalsContact CE2-C 3.47Å; F1208-G1295 WeakPolarHBondContact CE2-O 3.22Å; F1208-F1296 VanDerWaalsContact CD2-C 3.43Å; F1208-F1296 VanDerWaalsContact CD2-N 3.26Å; F1208-C1297 HydrophobicContact CB-CB 4.03Å; F1208-C1297 HydrophobicContact CD1-CB 4.17Å; F1208-C1297 VanDerWaalsContact CD1-SG 3.55Å; F1208-C1297 WeakPolarHBondContact CD1-SG 3.41Å; F1208-C1297 HydrophobicContact CD2-CB 3.93Å; F1208-C1297 HydrophobicContact CE1-CB 4.46Å; F1208-C1297 VanDerWaalsContact CE1-SG 3.52Å; F1208-C1297 WeakPolarHBondContact CE1-SG 3.24Å; F1208-C1297 HydrophobicContact CE2-CB 4.2Å; F1208-C1297 HydrophobicContact CG-CB 3.87Å; F1208-C1297 HydrophobicContact CZ-CB 4.49Å; F1208-C1297 VanDerWaalsContact CZ-SG 3.58Å
1209T80.4Confident82.4Confident87.2 Ų87.271.8 Ų71.854%0.53537%0.368SS..SBendtrans-65.8-24.4177.3530000114.1V1207 Y1213 R1232 T1234V1207-T1209 PolarHBondContact O-N 3.18Å; T1209-Y1213 PolarHBondContact N-OH 2.96Å; T1209-Y1213 PolarHBondContact OG1-OH 3.13Å; T1209-R1232 WeakPolarHBondContact CB-O 3.27Å; T1209-R1232 HydrophobicContact CG2-CB 4.22Å; T1209-R1232 HydrophobicContact CG2-CG 4.22Å; T1209-R1232 WeakPolarHBondContact CG2-O 3.3Å; T1209-R1232 PolarHBondContact N-O 3.03Å; T1209-R1232 PolarHBondContact OG1-N 3.48Å; T1209-R1232 PolarHBondContact OG1-O 2.85Å; T1209-T1234 HydrophobicContact CG2-CG2 4.29Å
1210Q82.1Confident82.2Confident97.8 Ų97.867.9 Ų67.946%0.45735%0.35SS..  trans-140149.3170.4-53.1-176.8-47.500110.4F1208 Q1212 Y1213 C1297F1208-Q1210 VanDerWaalsContact C-N 3.27Å; F1208-Q1210 VanDerWaalsContact CB-O 3.25Å; F1208-Q1210 WeakPolarHBondContact CB-O 3.36Å; F1208-Q1210 PolarHBondContact O-N 2.96Å; Q1210-Q1212 PolarHBondContact NE2-O 2.7Å; Q1210-Q1212 PolarHBondContact O-N 2.74Å; Q1210-Y1213 HydrophobicContact CB-CD1 4.2Å; Q1210-Y1213 HydrophobicContact CB-CD2 4.21Å; Q1210-Y1213 HydrophobicContact CB-CE1 3.91Å; Q1210-Y1213 VanDerWaalsContact CB-CE1 3.5Å; Q1210-Y1213 HydrophobicContact CB-CE2 3.89Å; Q1210-Y1213 HydrophobicContact CB-CG 4.3Å; Q1210-Y1213 VanDerWaalsContact CB-CZ 3.4Å; Q1210-Y1213 HydrophobicContact CG-CD1 4.13Å; Q1210-Y1213 HydrophobicContact CG-CE1 3.95Å; Q1210-Y1213 VanDerWaalsContact CG-CE1 3.41Å; Q1210-Y1213 PolarHBondContact N-OH 3.34Å; Q1210-Y1213 VanDerWaalsContact N-OH 3.12Å; Q1210-Y1213 VanDerWaalsContact NE2-CD1 3.25Å; Q1210-Y1213 WeakPolarHBondContact O-CE2 3.32Å; Q1210-Y1213 PolarHBondContact O-OH 2.87Å; Q1210-Y1213 VanDerWaalsContact O-OH 3.04Å; Q1210-Y1213 VanDerWaalsContact OE1-CD1 3.25Å; Q1210-Y1213 VanDerWaalsContact OE1-CE1 3.29Å; Q1210-C1297 VanDerWaalsContact O-CB 3.26Å; Q1210-C1297 WeakPolarHBondContact O-CB 3.21Å
1211Q78.4Confident81.7Confident163.4 Ų163.469.3 Ų69.376%0.76436%0.36SS*.SBendtrans-77.6-36.8170.6-68.8-142.6-28.300111.8Y1213 C1297 S1298Q1211-Y1213 WeakPolarHBondContact O-CD2 3.47Å; Q1211-Y1213 WeakPolarHBondContact O-CE2 3.19Å; Q1211-C1297 CarbonylContact O-C 3.51Å; Q1211-C1297 VanDerWaalsContact O-C 3.32Å; Q1211-C1297 WeakPolarHBondContact O-CA 3.34Å; Q1211-C1297 WeakPolarHBondContact O-CB 3.33Å; Q1211-C1297 PolarHBondContact O-SG 3.05Å; Q1211-S1298 PolarHBondContact O-N 2.93Å; Q1211-S1298 VanDerWaalsContact O-N 3.08Å; Q1211-S1298 PolarHBondContact O-OG 2.83Å
1212Q82.7Confident81.2Confident92.8 Ų92.867.6 Ų67.643%0.43435%0.352SS..EExtended strand (participates in β ladder)trans-135.1131.5178.7-170.3178.3-39.200111.1Q1210 N1214 S1298 V1299Q1210-Q1212 PolarHBondContact NE2-O 2.7Å; Q1210-Q1212 PolarHBondContact O-N 2.74Å; Q1212-N1214 VanDerWaalsContact CG-OD1 3.24Å; Q1212-N1214 WeakPolarHBondContact CG-OD1 3.32Å; Q1212-N1214 PolarHBondContact NE2-ND2 2.65Å; Q1212-N1214 VanDerWaalsContact NE2-ND2 3.15Å; Q1212-N1214 PolarHBondContact NE2-OD1 3.21Å; Q1212-N1214 VanDerWaalsContact NE2-OD1 3.08Å; Q1212-S1298 CarbonylContact C-O 3.46Å; Q1212-S1298 VanDerWaalsContact CA-O 3.27Å; Q1212-S1298 WeakPolarHBondContact CA-O 3.37Å; Q1212-S1298 VanDerWaalsContact CB-OG 3.31Å; Q1212-S1298 WeakPolarHBondContact CB-OG 3.24Å; Q1212-S1298 WeakPolarHBondContact CG-O 3.33Å; Q1212-S1298 VanDerWaalsContact CG-OG 3.28Å; Q1212-S1298 WeakPolarHBondContact CG-OG 3.4Å; Q1212-V1299 VanDerWaalsContact NE2-C 3.29Å; Q1212-V1299 PolarHBondContact NE2-O 3.19Å; Q1212-V1299 VanDerWaalsContact NE2-O 3.09Å
1213Y85.2Confident80.7Confident9.6 Ų9.667.5 Ų67.54%0.03836%0.358CS..EExtended strand (participates in β ladder)trans-110.1129.2177.8-62.4-97.8000109.8F1208 T1209 Q1210 Q1211 I1229 V1230 V1231 R1232 C1297 S1298 V1299 Y1300F1208-Y1213 HydrophobicContact CB-CE2 4.12Å; F1208-Y1213 AromaticContact CD1-CE2 3.68Å; F1208-Y1213 HydrophobicContact CD1-CE2 4.07Å; F1208-Y1213 AromaticContact CD1-CZ 3.99Å; F1208-Y1213 HydrophobicContact CE1-CE2 4.46Å; F1208-Y1213 HydrophobicContact CG-CE2 4.2Å; T1209-Y1213 PolarHBondContact N-OH 2.96Å; T1209-Y1213 PolarHBondContact OG1-OH 3.13Å; Q1210-Y1213 HydrophobicContact CB-CD1 4.2Å; Q1210-Y1213 HydrophobicContact CB-CD2 4.21Å; Q1210-Y1213 HydrophobicContact CB-CE1 3.91Å; Q1210-Y1213 VanDerWaalsContact CB-CE1 3.5Å; Q1210-Y1213 HydrophobicContact CB-CE2 3.89Å; Q1210-Y1213 HydrophobicContact CB-CG 4.3Å; Q1210-Y1213 VanDerWaalsContact CB-CZ 3.4Å; Q1210-Y1213 HydrophobicContact CG-CD1 4.13Å; Q1210-Y1213 HydrophobicContact CG-CE1 3.95Å; Q1210-Y1213 VanDerWaalsContact CG-CE1 3.41Å; Q1210-Y1213 PolarHBondContact N-OH 3.34Å; Q1210-Y1213 VanDerWaalsContact N-OH 3.12Å; Q1210-Y1213 VanDerWaalsContact NE2-CD1 3.25Å; Q1210-Y1213 WeakPolarHBondContact O-CE2 3.32Å; Q1210-Y1213 PolarHBondContact O-OH 2.87Å; Q1210-Y1213 VanDerWaalsContact O-OH 3.04Å; Q1210-Y1213 VanDerWaalsContact OE1-CD1 3.25Å; Q1210-Y1213 VanDerWaalsContact OE1-CE1 3.29Å; Q1211-Y1213 WeakPolarHBondContact O-CD2 3.47Å; Q1211-Y1213 WeakPolarHBondContact O-CE2 3.19Å; Y1213-I1229 HydrophobicContact CD1-CD1 4.16Å; Y1213-I1229 HydrophobicContact CD1-CG1 4.17Å; Y1213-I1229 HydrophobicContact CD1-CG2 4.32Å; Y1213-I1229 HydrophobicContact CG-CD1 4.28Å; Y1213-I1229 HydrophobicContact CG-CG1 4.1Å; Y1213-I1229 HydrophobicContact CG-CG2 4.05Å; Y1213-V1230 WeakPolarHBondContact CE1-O 3.36Å; Y1213-V1231 HydrophobicContact CD1-CG1 4.37Å; Y1213-V1231 HydrophobicContact CD2-CB 4.23Å; Y1213-V1231 HydrophobicContact CD2-CG1 3.67Å; Y1213-V1231 HydrophobicContact CE1-CB 4.4Å; Y1213-V1231 HydrophobicContact CE1-CG1 4.26Å; Y1213-V1231 HydrophobicContact CE2-CB 3.93Å; Y1213-V1231 HydrophobicContact CE2-CG1 3.69Å; Y1213-V1231 VanDerWaalsContact CE2-CG1 3.46Å; Y1213-V1231 HydrophobicContact CG-CB 4.39Å; Y1213-V1231 HydrophobicContact CG-CG1 4.06Å; Y1213-V1231 VanDerWaalsContact CZ-CG1 3.41Å; Y1213-V1231 WeakPolarHBondContact OH-CA 3.39Å; Y1213-V1231 WeakPolarHBondContact OH-CB 3.31Å; Y1213-R1232 PolarHBondContact OH-N 2.88Å; Y1213-R1232 VanDerWaalsContact OH-N 3.1Å; Y1213-R1232 PolarHBondContact OH-O 3.03Å; Y1213-C1297 HydrophobicContact CD2-CB 4.24Å; Y1213-C1297 WeakPolarHBondContact CD2-SG 3.12Å; Y1213-C1297 HydrophobicContact CE2-CB 3.98Å; Y1213-C1297 WeakPolarHBondContact CE2-SG 3.32Å; Y1213-S1298 PolarHBondContact N-O 2.91Å; Y1213-V1299 HydrophobicContact CD2-CG2 4.49Å; Y1213-V1299 CarbonylContact O-C 3.56Å; Y1213-V1299 VanDerWaalsContact O-CA 3.22Å; Y1213-V1299 WeakPolarHBondContact O-CA 3.32Å; Y1213-V1299 WeakPolarHBondContact O-CG1 3.4Å; Y1213-V1299 WeakPolarHBondContact O-CG2 3.36Å; Y1213-Y1300 PolarHBondContact O-N 2.86Å
1214N83.1Confident80.7Confident82.6 Ų82.666.8 Ų66.844%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-122.3133.8-173.8-61.8-48.9000112.7Q1212 L1216 I1229 V1299 Y1300Q1212-N1214 VanDerWaalsContact CG-OD1 3.24Å; Q1212-N1214 WeakPolarHBondContact CG-OD1 3.32Å; Q1212-N1214 PolarHBondContact NE2-ND2 2.65Å; Q1212-N1214 VanDerWaalsContact NE2-ND2 3.15Å; Q1212-N1214 PolarHBondContact NE2-OD1 3.21Å; Q1212-N1214 VanDerWaalsContact NE2-OD1 3.08Å; N1214-L1216 HydrophobicContact CB-CD1 4.47Å; N1214-L1216 HydrophobicContact CB-CD2 3.97Å; N1214-L1216 HydrophobicContact CB-CG 3.88Å; N1214-L1216 PolarHBondContact O-N 3.2Å; N1214-L1216 VanDerWaalsContact O-N 3.15Å; N1214-I1229 VanDerWaalsContact C-CD1 3.45Å; N1214-I1229 VanDerWaalsContact N-CD1 3.26Å; N1214-I1229 WeakPolarHBondContact O-CD1 3.47Å; N1214-V1299 WeakPolarHBondContact OD1-CA 3.46Å; N1214-Y1300 CarbonylContact C-O 3.56Å; N1214-Y1300 VanDerWaalsContact CA-O 3.25Å; N1214-Y1300 WeakPolarHBondContact CA-O 3.29Å; N1214-Y1300 WeakPolarHBondContact OD1-CB 3.43Å; N1214-Y1300 PolarHBondContact OD1-N 2.89Å
1215R83.9Confident80.6Confident109.2 Ų109.266.3 Ų66.341%0.41236%0.364SS..EExtended strand (participates in β ladder)trans-119.7100171.2-178.958173.9169.2-2.7110.6L1218 V1228 I1229 Y1300 V1301 T1302R1215-L1218 HydrophobicContact CG-CB 4.38Å; R1215-V1228 HydrophobicContact CB-CG1 4.12Å; R1215-V1228 WeakPolarHBondContact CD-O 3.4Å; R1215-V1228 HydrophobicContact CG-CG1 3.92Å; R1215-V1228 VanDerWaalsContact CG-O 3.28Å; R1215-V1228 WeakPolarHBondContact CG-O 3.37Å; R1215-V1228 PolarHBondContact NE-O 3.08Å; R1215-I1229 HydrophobicContact CB-CB 4.06Å; R1215-I1229 HydrophobicContact CB-CD1 4.27Å; R1215-I1229 HydrophobicContact CB-CG2 4.27Å; R1215-Y1300 CarbonylContact C-O 3.32Å; R1215-Y1300 WeakPolarHBondContact CA-O 3.39Å; R1215-Y1300 VanDerWaalsContact CB-O 3.29Å; R1215-Y1300 WeakPolarHBondContact CB-O 3.28Å; R1215-Y1300 PolarHBondContact N-O 3.21Å; R1215-Y1300 CarbonylContact O-C 3.57Å; R1215-V1301 HydrophobicContact CB-CB 4.37Å; R1215-V1301 HydrophobicContact CB-CG1 4.32Å; R1215-V1301 HydrophobicContact CB-CG2 4.24Å; R1215-V1301 HydrophobicContact CG-CG1 4.27Å; R1215-V1301 CarbonylContact O-C 3.52Å; R1215-V1301 VanDerWaalsContact O-CA 3.28Å; R1215-V1301 WeakPolarHBondContact O-CA 3.37Å; R1215-V1301 WeakPolarHBondContact O-CG1 3.36Å; R1215-T1302 PolarHBondContact O-N 3.02Å
1216L79.5Confident80.6Confident107.6 Ų107.666.8 Ų66.856%0.56336%0.364SS*.EExtended strand (participates in β ladder)trans-96.2147.1178.4-57.2179.6000111N1214 L1218 Y1300 V1301 T1302N1214-L1216 HydrophobicContact CB-CD1 4.47Å; N1214-L1216 HydrophobicContact CB-CD2 3.97Å; N1214-L1216 HydrophobicContact CB-CG 3.88Å; N1214-L1216 PolarHBondContact O-N 3.2Å; N1214-L1216 VanDerWaalsContact O-N 3.15Å; L1216-L1218 PolarHBondContact O-N 2.94Å; L1216-L1218 VanDerWaalsContact O-N 3.13Å; L1216-Y1300 VanDerWaalsContact CD2-C 3.49Å; L1216-Y1300 HydrophobicContact CD2-CD1 4.13Å; L1216-Y1300 HydrophobicContact CD2-CE1 4.21Å; L1216-Y1300 HydrophobicContact CD2-CG 4.5Å; L1216-Y1300 WeakPolarHBondContact CD2-O 3.21Å; L1216-V1301 VanDerWaalsContact CD2-CA 3.41Å; L1216-V1301 VanDerWaalsContact CD2-N 3.29Å; L1216-T1302 VanDerWaalsContact CA-OG1 3.3Å; L1216-T1302 WeakPolarHBondContact CA-OG1 3.28Å; L1216-T1302 HydrophobicContact CD2-CG2 3.88Å
1217G76.9Confident80.5Confident36.8 Ų36.870.3 Ų70.338%0.37939%0.388SS..EExtended strand (participates in β ladder)trans69.441.217100000114.6R1219 T1302G1217-R1219 PolarHBondContact O-N 3.16Å; G1217-R1219 VanDerWaalsContact O-N 3.13Å; G1217-T1302 CarbonylContact C-O 3.3Å; G1217-T1302 WeakPolarHBondContact CA-O 3.32Å; G1217-T1302 PolarHBondContact N-O 2.95Å; G1217-T1302 VanDerWaalsContact N-O 3.09Å; G1217-T1302 PolarHBondContact N-OG1 2.86Å; G1217-T1302 VanDerWaalsContact N-OG1 3.12Å
1218L82.6Confident80.4Confident13.2 Ų13.266.5 Ų66.57%0.06937%0.366CS..EExtended strand (participates in β ladder)trans-70.5124.7168.6-17059.9000108.5R1215 L1216 E1220 A1222 T1226 V1228 F1256 T1267 L1271 V1301 T1302 L1303 L1304R1215-L1218 HydrophobicContact CG-CB 4.38Å; L1216-L1218 PolarHBondContact O-N 2.94Å; L1216-L1218 VanDerWaalsContact O-N 3.13Å; L1218-E1220 PolarHBondContact O-N 3.18Å; L1218-A1222 HydrophobicContact CD1-CB 4.03Å; L1218-A1222 VanDerWaalsContact CD1-CB 3.45Å; L1218-A1222 HydrophobicContact CG-CB 3.73Å; L1218-T1226 HydrophobicContact CD1-CG2 3.69Å; L1218-V1228 HydrophobicContact CD2-CG1 4.18Å; L1218-V1228 HydrophobicContact CD2-CG2 4.09Å; L1218-F1256 HydrophobicContact CD2-CE1 4.06Å; L1218-F1256 HydrophobicContact CD2-CZ 4.26Å; L1218-T1267 HydrophobicContact CD2-CG2 4.17Å; L1218-L1271 HydrophobicContact CB-CD1 4.17Å; L1218-L1271 HydrophobicContact CD2-CD1 3.44Å; L1218-L1271 VanDerWaalsContact CD2-CD1 3.44Å; L1218-L1271 HydrophobicContact CG-CD1 3.88Å; L1218-V1301 HydrophobicContact CB-CG1 3.95Å; L1218-V1301 HydrophobicContact CD2-CG1 3.96Å; L1218-T1302 WeakPolarHBondContact CA-O 3.24Å; L1218-T1302 WeakPolarHBondContact CB-O 3.1Å; L1218-T1302 PolarHBondContact N-O 3.05Å; L1218-L1303 HydrophobicContact CB-CD2 4.03Å; L1218-L1303 HydrophobicContact CD2-CD2 4.22Å; L1218-L1303 HydrophobicContact CG-CD2 4.35Å; L1218-L1303 CarbonylContact O-C 3.49Å; L1218-L1303 WeakPolarHBondContact O-CA 3.38Å; L1218-L1303 WeakPolarHBondContact O-CD2 3.26Å; L1218-L1304 WeakPolarHBondContact O-CB 3.48Å; L1218-L1304 PolarHBondContact O-N 3.32Å
1219R80.3Confident80.5Confident143.6 Ų143.667.3 Ų67.354%0.54237%0.37SS..EExtended strand (participates in β ladder)trans-60.2145.9175.1-68.7-177.6136.1172.63110.6G1217 T1221 A1222 L1304 E1306G1217-R1219 PolarHBondContact O-N 3.16Å; G1217-R1219 VanDerWaalsContact O-N 3.13Å; R1219-T1221 VanDerWaalsContact C-N 3.26Å; R1219-T1221 WeakPolarHBondContact CB-OG1 3.2Å; R1219-T1221 PolarHBondContact O-N 2.94Å; R1219-A1222 HydrophobicContact CB-CB 4.17Å; R1219-A1222 VanDerWaalsContact O-CB 3.31Å; R1219-A1222 WeakPolarHBondContact O-CB 3.33Å; R1219-A1222 PolarHBondContact O-N 3.17Å; R1219-A1222 VanDerWaalsContact O-N 3.1Å; R1219-L1304 CarbonylContact C-O 3.18Å; R1219-L1304 HydrophobicContact CG-CD2 4.3Å; R1219-E1306 WeakPolarHBondContact CB-OE2 3.24Å; R1219-E1306 VanDerWaalsContact CD-OE1 3.27Å; R1219-E1306 WeakPolarHBondContact CD-OE1 3.19Å; R1219-E1306 WeakPolarHBondContact CD-OE2 3.16Å; R1219-E1306 HydrophobicContact CG-CG 4.25Å; R1219-E1306 WeakPolarHBondContact CG-OE1 3.29Å; R1219-E1306 WeakPolarHBondContact CG-OE2 3.26Å; R1219-E1306 IonicContact CZ-OE1 3.36Å; R1219-E1306 IonicContact CZ-OE2 3.9Å; R1219-E1306 IonicContact NE-OE1 3.24Å; R1219-E1306 PolarHBondContact NE-OE1 3.19Å; R1219-E1306 IonicContact NE-OE2 3.54Å; R1219-E1306 PolarHBondContact NE-OE2 2.82Å; R1219-E1306 IonicContact NH1-OE1 3.93Å; R1219-E1306 PolarHBondContact NH1-OE1 2.75Å; R1219-E1306 IonicContact NH2-OE1 3.43Å; R1219-E1306 PolarHBondContact NH2-OE1 2.73Å; R1219-E1306 IonicContact NH2-OE2 3.7Å
1220E77.7Confident80.8Confident25.2 Ų25.266.2 Ų66.212%0.11836%0.363CS..THydrogen-bonded Turntrans-67-26.7172.167.9-169128.500112.2L1218 A1222 L1271 Y1273 L1303 L1304 N1305 E1306L1218-E1220 PolarHBondContact O-N 3.18Å; E1220-A1222 CarbonylContact O-C 3.31Å; E1220-A1222 PolarHBondContact O-N 3.14Å; E1220-L1271 CarbonylContact C-O 3.58Å; E1220-L1271 VanDerWaalsContact C-O 3.31Å; E1220-L1271 WeakPolarHBondContact CA-O 3.39Å; E1220-L1271 HydrophobicContact CB-CB 4.48Å; E1220-L1271 WeakPolarHBondContact CB-O 3.48Å; E1220-L1271 CarbonylContact O-C 3.57Å; E1220-L1271 WeakPolarHBondContact O-CB 3.23Å; E1220-L1271 VanDerWaalsContact O-O 3.08Å; E1220-Y1273 VanDerWaalsContact CD-CB 3.48Å; E1220-Y1273 WeakPolarHBondContact OE1-CB 3.1Å; E1220-Y1273 WeakPolarHBondContact OE2-CA 2.82Å; E1220-Y1273 VanDerWaalsContact OE2-CB 3.26Å; E1220-Y1273 WeakPolarHBondContact OE2-CB 3.25Å; E1220-Y1273 PolarHBondContact OE2-N 3.18Å; E1220-L1303 HydrophobicContact CB-CD1 4.25Å; E1220-L1303 HydrophobicContact CB-CD2 3.85Å; E1220-L1304 VanDerWaalsContact CB-O 3.22Å; E1220-L1304 WeakPolarHBondContact CB-O 3.26Å; E1220-L1304 WeakPolarHBondContact CG-O 3.35Å; E1220-L1304 PolarHBondContact N-O 2.93Å; E1220-N1305 WeakPolarHBondContact OE1-CA 3.39Å; E1220-N1305 WeakPolarHBondContact OE1-CB 3.41Å; E1220-N1305 PolarHBondContact OE1-ND2 2.83Å; E1220-E1306 HydrophobicContact CG-CB 4.33Å; E1220-E1306 HydrophobicContact CG-CG 4.38Å; E1220-E1306 PolarHBondContact OE1-N 2.94Å
1221T73.6Confident81.1Confident86.8 Ų86.861.6 Ų61.653%0.53334%0.341SS..THydrogen-bonded Turntrans-82.913.4178.361.10000113.1R1219 G1223 E1306 D1308R1219-T1221 VanDerWaalsContact C-N 3.26Å; R1219-T1221 WeakPolarHBondContact CB-OG1 3.2Å; R1219-T1221 PolarHBondContact O-N 2.94Å; T1221-G1223 PolarHBondContact O-N 2.76Å; T1221-G1223 VanDerWaalsContact O-N 3.17Å; T1221-E1306 WeakPolarHBondContact CB-OE2 3.29Å; T1221-E1306 HydrophobicContact CG2-CB 4.26Å; T1221-E1306 HydrophobicContact CG2-CG 3.99Å; T1221-E1306 VanDerWaalsContact CG2-OE2 3.29Å; T1221-E1306 WeakPolarHBondContact CG2-OE2 3.32Å; T1221-E1306 PolarHBondContact N-OE2 3.16Å; T1221-E1306 PolarHBondContact OG1-OE1 2.97Å; T1221-E1306 PolarHBondContact OG1-OE2 2.84Å; T1221-E1306 VanDerWaalsContact OG1-OE2 3.06Å; T1221-D1308 HydrophobicContact CG2-CB 3.98Å
1222A73.7Confident81.6Confident14 Ų1461.5 Ų61.512%0.11633%0.334CS..  trans-75.8119.3172.700000110.9L1218 R1219 E1220 T1226 Y1270 L1271L1218-A1222 HydrophobicContact CD1-CB 4.03Å; L1218-A1222 VanDerWaalsContact CD1-CB 3.45Å; L1218-A1222 HydrophobicContact CG-CB 3.73Å; R1219-A1222 HydrophobicContact CB-CB 4.17Å; R1219-A1222 VanDerWaalsContact O-CB 3.31Å; R1219-A1222 WeakPolarHBondContact O-CB 3.33Å; R1219-A1222 PolarHBondContact O-N 3.17Å; R1219-A1222 VanDerWaalsContact O-N 3.1Å; E1220-A1222 CarbonylContact O-C 3.31Å; E1220-A1222 PolarHBondContact O-N 3.14Å; A1222-T1226 WeakPolarHBondContact CA-OG1 3.2Å; A1222-T1226 HydrophobicContact CB-CG2 4.05Å; A1222-Y1270 WeakPolarHBondContact O-CD1 3.31Å; A1222-L1271 HydrophobicContact CB-CD1 4.35Å
1223G73.6Confident81.7Confident29.6 Ų29.657.4 Ų57.431%0.30532%0.316SS..  trans-77.6172.9-176.800000115.1T1221 G1225 T1226 T1267T1221-G1223 PolarHBondContact O-N 2.76Å; T1221-G1223 VanDerWaalsContact O-N 3.17Å; G1223-G1225 PolarHBondContact O-N 3.07Å; G1223-T1226 PolarHBondContact N-OG1 3.26Å; G1223-T1226 WeakPolarHBondContact O-CB 3.28Å; G1223-T1226 PolarHBondContact O-N 3.14Å; G1223-T1226 VanDerWaalsContact O-N 3.12Å; G1223-T1226 PolarHBondContact O-OG1 2.88Å; G1223-T1267 PolarHBondContact O-OG1 3.16Å
1224I80Confident81.6Confident95 Ų9560.8 Ų60.849%0.48734%0.338SS..THydrogen-bonded Turntrans-61.4137178.4-61.7179.4000110.5V1268 Y1270I1224-V1268 HydrophobicContact CG2-CB 4.47Å; I1224-Y1270 HydrophobicContact CD1-CD2 4.06Å; I1224-Y1270 HydrophobicContact CD1-CE2 3.79Å; I1224-Y1270 HydrophobicContact CD1-CG 4.2Å; I1224-Y1270 HydrophobicContact CG1-CD1 4.37Å; I1224-Y1270 HydrophobicContact CG1-CD2 4.31Å; I1224-Y1270 HydrophobicContact CG1-CE1 4.47Å; I1224-Y1270 HydrophobicContact CG1-CE2 4.23Å; I1224-Y1270 HydrophobicContact CG1-CG 4.19Å
1225G80.2Confident81.8Confident49.4 Ų49.457.9 Ų57.951%0.50932%0.323SS..THydrogen-bonded Turntrans88.65.5-178.200000114.7G1223 S1227 T1267G1223-G1225 PolarHBondContact O-N 3.07Å; G1225-S1227 PolarHBondContact O-N 3.25Å; G1225-S1227 VanDerWaalsContact O-N 3.11Å; G1225-T1267 VanDerWaalsContact CA-O 3.27Å; G1225-T1267 WeakPolarHBondContact CA-O 3.32Å; G1225-T1267 PolarHBondContact N-O 3.03Å; G1225-T1267 PolarHBondContact N-OG1 3.3Å
1226T82Confident81.7Confident47.8 Ų47.858.2 Ų58.229%0.29333%0.327SS..  trans-67.6126.4178.8-61.50000110.4L1218 A1222 G1223 V1228 V1266 T1267L1218-T1226 HydrophobicContact CD1-CG2 3.69Å; A1222-T1226 WeakPolarHBondContact CA-OG1 3.2Å; A1222-T1226 HydrophobicContact CB-CG2 4.05Å; G1223-T1226 PolarHBondContact N-OG1 3.26Å; G1223-T1226 WeakPolarHBondContact O-CB 3.28Å; G1223-T1226 PolarHBondContact O-N 3.14Å; G1223-T1226 VanDerWaalsContact O-N 3.12Å; G1223-T1226 PolarHBondContact O-OG1 2.88Å; T1226-V1228 WeakPolarHBondContact O-CG2 3.25Å; T1226-V1228 PolarHBondContact O-N 3.27Å; T1226-V1266 CarbonylContact O-C 3.53Å; T1226-V1266 VanDerWaalsContact O-CA 3.28Å; T1226-V1266 WeakPolarHBondContact O-CA 3.37Å; T1226-T1267 WeakPolarHBondContact CB-OG1 3.35Å; T1226-T1267 PolarHBondContact N-OG1 3.01Å; T1226-T1267 PolarHBondContact O-N 3.09Å; T1226-T1267 PolarHBondContact O-OG1 3.02Å
1227S83.8Confident82Confident76.2 Ų76.253.5 Ų53.553%0.53330%0.303SS..EExtended strand (participates in β ladder)trans-65.2121.3173.6-26.90000111.4G1225G1225-S1227 PolarHBondContact O-N 3.25Å; G1225-S1227 VanDerWaalsContact O-N 3.11Å
1228V83.3Confident82.1Confident11.4 Ų11.455.2 Ų55.27%0.06931%0.306CS..EExtended strand (participates in β ladder)trans-95-60.1-174.6-179.20000110.7R1215 L1218 T1226 F1256 I1265 V1266 T1267 V1301R1215-V1228 HydrophobicContact CB-CG1 4.12Å; R1215-V1228 WeakPolarHBondContact CD-O 3.4Å; R1215-V1228 HydrophobicContact CG-CG1 3.92Å; R1215-V1228 VanDerWaalsContact CG-O 3.28Å; R1215-V1228 WeakPolarHBondContact CG-O 3.37Å; R1215-V1228 PolarHBondContact NE-O 3.08Å; L1218-V1228 HydrophobicContact CD2-CG1 4.18Å; L1218-V1228 HydrophobicContact CD2-CG2 4.09Å; T1226-V1228 WeakPolarHBondContact O-CG2 3.25Å; T1226-V1228 PolarHBondContact O-N 3.27Å; V1228-F1256 HydrophobicContact CB-CD1 4.43Å; V1228-F1256 HydrophobicContact CB-CE1 4.44Å; V1228-F1256 HydrophobicContact CG1-CD1 4.26Å; V1228-F1256 HydrophobicContact CG1-CE1 4.23Å; V1228-F1256 HydrophobicContact CG2-CD1 3.77Å; V1228-F1256 HydrophobicContact CG2-CE1 3.66Å; V1228-I1265 WeakPolarHBondContact CA-O 3.34Å; V1228-I1265 HydrophobicContact CB-CB 4.46Å; V1228-I1265 HydrophobicContact CB-CG2 4.29Å; V1228-I1265 WeakPolarHBondContact CB-O 3.35Å; V1228-I1265 HydrophobicContact CG2-CG2 4.49Å; V1228-I1265 PolarHBondContact N-O 2.77Å; V1228-V1266 VanDerWaalsContact CG2-C 3.47Å; V1228-T1267 HydrophobicContact CG2-CG2 3.79Å; V1228-V1301 HydrophobicContact CG1-CB 4.33Å; V1228-V1301 HydrophobicContact CG1-CG1 4.17Å; V1228-V1301 HydrophobicContact CG1-CG2 3.85Å
1229I86.9Confident82Confident33.2 Ų33.257.7 Ų57.717%0.1733%0.334CS..EExtended strand (participates in β ladder)trans-166157.8-178-157.7147000111.1Y1213 N1214 R1215 L1264 I1265 V1299Y1213-I1229 HydrophobicContact CD1-CD1 4.16Å; Y1213-I1229 HydrophobicContact CD1-CG1 4.17Å; Y1213-I1229 HydrophobicContact CD1-CG2 4.32Å; Y1213-I1229 HydrophobicContact CG-CD1 4.28Å; Y1213-I1229 HydrophobicContact CG-CG1 4.1Å; Y1213-I1229 HydrophobicContact CG-CG2 4.05Å; N1214-I1229 VanDerWaalsContact C-CD1 3.45Å; N1214-I1229 VanDerWaalsContact N-CD1 3.26Å; N1214-I1229 WeakPolarHBondContact O-CD1 3.47Å; R1215-I1229 HydrophobicContact CB-CB 4.06Å; R1215-I1229 HydrophobicContact CB-CD1 4.27Å; R1215-I1229 HydrophobicContact CB-CG2 4.27Å; I1229-L1264 CarbonylContact O-C 3.52Å; I1229-L1264 WeakPolarHBondContact O-CA 3.37Å; I1229-I1265 HydrophobicContact CG2-CB 4.27Å; I1229-I1265 HydrophobicContact CG2-CD1 4.11Å; I1229-I1265 HydrophobicContact CG2-CG1 4.42Å; I1229-I1265 PolarHBondContact N-O 2.92Å; I1229-I1265 WeakPolarHBondContact O-CA 3.05Å; I1229-I1265 WeakPolarHBondContact O-CB 3.29Å; I1229-I1265 PolarHBondContact O-N 3.2Å; I1229-V1299 HydrophobicContact CB-CG1 4.23Å; I1229-V1299 HydrophobicContact CG2-CB 4.31Å; I1229-V1299 HydrophobicContact CG2-CG1 3.52Å; I1229-V1299 VanDerWaalsContact CG2-CG1 3.48Å; I1229-V1299 HydrophobicContact CG2-CG2 3.79Å
1230V88.3Confident81.8Confident64.8 Ų64.856.4 Ų56.439%0.39334%0.338SS..EExtended strand (participates in β ladder)trans-114.9129.6175.7-178.70000109.5Y1213 R1232 T1262 G1263 L1264Y1213-V1230 WeakPolarHBondContact CE1-O 3.36Å; V1230-R1232 HydrophobicContact CG1-CG 4.06Å; V1230-T1262 VanDerWaalsContact CG1-O 3.26Å; V1230-T1262 WeakPolarHBondContact CG1-O 3.28Å; V1230-G1263 CarbonylContact C-O 3.47Å; V1230-G1263 VanDerWaalsContact CA-O 3.29Å; V1230-G1263 WeakPolarHBondContact CA-O 3.26Å; V1230-L1264 HydrophobicContact CG2-CB 4.12Å; V1230-L1264 HydrophobicContact CG2-CD1 3.55Å; V1230-L1264 VanDerWaalsContact CG2-CD1 3.47Å; V1230-L1264 HydrophobicContact CG2-CG 4.42Å
1231V87.5Confident81.6Confident0.4 Ų0.455.4 Ų55.40%0.00233%0.334CS..  trans-97.6146.7169.1-53.30000110.3F1208 Y1213 Y1246 I1258 T1262 G1263 I1265 V1283 V1299F1208-V1231 HydrophobicContact CD1-CB 4.32Å; F1208-V1231 HydrophobicContact CD1-CG2 4.05Å; F1208-V1231 HydrophobicContact CE1-CB 3.95Å; F1208-V1231 HydrophobicContact CE1-CG2 3.79Å; F1208-V1231 HydrophobicContact CZ-CG2 4.22Å; Y1213-V1231 HydrophobicContact CD1-CG1 4.37Å; Y1213-V1231 HydrophobicContact CD2-CB 4.23Å; Y1213-V1231 HydrophobicContact CD2-CG1 3.67Å; Y1213-V1231 HydrophobicContact CE1-CB 4.4Å; Y1213-V1231 HydrophobicContact CE1-CG1 4.26Å; Y1213-V1231 HydrophobicContact CE2-CB 3.93Å; Y1213-V1231 HydrophobicContact CE2-CG1 3.69Å; Y1213-V1231 VanDerWaalsContact CE2-CG1 3.46Å; Y1213-V1231 HydrophobicContact CG-CB 4.39Å; Y1213-V1231 HydrophobicContact CG-CG1 4.06Å; Y1213-V1231 VanDerWaalsContact CZ-CG1 3.41Å; Y1213-V1231 WeakPolarHBondContact OH-CA 3.39Å; Y1213-V1231 WeakPolarHBondContact OH-CB 3.31Å; V1231-Y1246 HydrophobicContact CG2-CD1 3.76Å; V1231-Y1246 HydrophobicContact CG2-CE1 4.17Å; V1231-Y1246 HydrophobicContact CG2-CG 4.4Å; V1231-I1258 HydrophobicContact CG1-CD1 4.06Å; V1231-I1258 HydrophobicContact CG2-CD1 3.76Å; V1231-T1262 CarbonylContact O-C 3.55Å; V1231-G1263 WeakPolarHBondContact CG2-O 3.36Å; V1231-G1263 PolarHBondContact N-O 3.13Å; V1231-I1265 HydrophobicContact CG1-CD1 4.37Å; V1231-V1283 HydrophobicContact CG2-CG1 4.05Å; V1231-V1299 HydrophobicContact CG1-CG2 3.72Å; V1231-V1299 VanDerWaalsContact CG1-CG2 3.43Å
1232R88Confident81.8Confident161.6 Ų161.652.6 Ų52.661%0.6132%0.323SS*.  trans-142.2133.1-179-130.1-178.1180-172.30.1111.5F1208 T1209 Y1213 V1230 Y1246F1208-R1232 CarbonylContact C-O 3.3Å; F1208-R1232 WeakPolarHBondContact CA-O 3.36Å; F1208-R1232 VanDerWaalsContact CD1-O 3.25Å; F1208-R1232 WeakPolarHBondContact CD1-O 3.27Å; T1209-R1232 WeakPolarHBondContact CB-O 3.27Å; T1209-R1232 HydrophobicContact CG2-CB 4.22Å; T1209-R1232 HydrophobicContact CG2-CG 4.22Å; T1209-R1232 WeakPolarHBondContact CG2-O 3.3Å; T1209-R1232 PolarHBondContact N-O 3.03Å; T1209-R1232 PolarHBondContact OG1-N 3.48Å; T1209-R1232 PolarHBondContact OG1-O 2.85Å; Y1213-R1232 PolarHBondContact OH-N 2.88Å; Y1213-R1232 VanDerWaalsContact OH-N 3.1Å; Y1213-R1232 PolarHBondContact OH-O 3.03Å; V1230-R1232 HydrophobicContact CG1-CG 4.06Å; R1232-Y1246 WeakPolarHBondContact CA-OH 3.4Å
1233A85.9Confident82.2Confident6.4 Ų6.456.5 Ų56.55%0.05334%0.341CS..EExtended strand (participates in β ladder)trans-124.7157.1170.600000111.3P1206 V1207 F1208 V1244 Y1246 A1285P1206-A1233 HydrophobicContact CB-CB 4.35Å; V1207-A1233 VanDerWaalsContact C-CB 3.5Å; V1207-A1233 CarbonylContact O-C 3.57Å; V1207-A1233 VanDerWaalsContact O-CA 3.31Å; V1207-A1233 WeakPolarHBondContact O-CA 3.21Å; V1207-A1233 WeakPolarHBondContact O-CB 3.33Å; F1208-A1233 HydrophobicContact CB-CB 4.42Å; F1208-A1233 HydrophobicContact CD1-CB 3.87Å; F1208-A1233 HydrophobicContact CD2-CB 4.3Å; F1208-A1233 HydrophobicContact CE1-CB 4.09Å; F1208-A1233 HydrophobicContact CG-CB 3.97Å; F1208-A1233 HydrophobicContact CZ-CB 4.42Å; A1233-V1244 HydrophobicContact CB-CG1 3.94Å; A1233-Y1246 HydrophobicContact CB-CD1 4.22Å; A1233-Y1246 HydrophobicContact CB-CE1 3.94Å; A1233-Y1246 VanDerWaalsContact N-CE1 3.35Å; A1233-Y1246 PolarHBondContact N-OH 3.09Å; A1233-Y1246 PolarHBondContact O-OH 3.06Å; A1233-Y1246 VanDerWaalsContact O-OH 3.07Å; A1233-A1285 HydrophobicContact CB-CB 3.67Å
1234T83.7Confident82.8Confident82.8 Ų82.856.1 Ų56.151%0.50833%0.333SS..EExtended strand (participates in β ladder)trans-135.3137.2178.651.80000109.7P1206 V1207 T1209P1206-T1234 CarbonylContact C-O 3.15Å; P1206-T1234 WeakPolarHBondContact CA-O 3.19Å; V1207-T1234 PolarHBondContact N-O 2.93Å; V1207-T1234 PolarHBondContact O-N 3.01Å; T1209-T1234 HydrophobicContact CG2-CG2 4.29Å
1235D86.4Confident83.1Confident21.6 Ų21.654.5 Ų54.512%0.11633%0.325CS..  trans-105.3161.8165.3-147.7-52.2000109.8E1204 A1205 P1206 D1237 G1241 V1244E1204-D1235 WeakPolarHBondContact CB-OD1 3.47Å; A1205-D1235 VanDerWaalsContact CA-OD2 3.28Å; A1205-D1235 WeakPolarHBondContact CA-OD2 3.34Å; A1205-D1235 PolarHBondContact N-OD1 3.17Å; A1205-D1235 PolarHBondContact N-OD2 3.24Å; P1206-D1235 WeakPolarHBondContact CA-OD2 3.42Å; P1206-D1235 HydrophobicContact CB-CB 4.38Å; P1206-D1235 VanDerWaalsContact CD-OD2 3.29Å; P1206-D1235 WeakPolarHBondContact CD-OD2 3.29Å; P1206-D1235 HydrophobicContact CG-CB 4.43Å; P1206-D1235 VanDerWaalsContact CG-OD2 3.3Å; P1206-D1235 WeakPolarHBondContact CG-OD2 3.26Å; D1235-D1237 PolarHBondContact OD1-N 2.97Å; D1235-D1237 VanDerWaalsContact OD1-N 3.16Å; D1235-G1241 WeakPolarHBondContact CB-O 2.9Å; D1235-V1244 HydrophobicContact CB-CG2 4.07Å
1236K81.7Confident83.6Confident115.8 Ų115.853 Ų5350%0.50330%0.304SS..  trans-105.7-19.4-178-64-159-158.996.20114.9R1168 E1169 E1204R1168-K1236 PolarHBondContact NH2-O 2.79Å; E1169-K1236 HydrophobicContact CB-CB 3.82Å; E1169-K1236 HydrophobicContact CB-CD 3.74Å; E1169-K1236 HydrophobicContact CB-CG 4.49Å; E1169-K1236 HydrophobicContact CG-CB 3.78Å; E1169-K1236 HydrophobicContact CG-CD 4.28Å; E1169-K1236 HydrophobicContact CG-CG 4.36Å; E1204-K1236 HydrophobicContact CB-CB 4.28Å; E1204-K1236 HydrophobicContact CG-CB 4.16Å; E1204-K1236 HydrophobicContact CG-CD 4.43Å; E1204-K1236 HydrophobicContact CG-CG 4.33Å; E1204-K1236 IonicContact OE1-NZ 3.23Å; E1204-K1236 PolarHBondContact OE1-NZ 2.95Å; E1204-K1236 IonicContact OE2-NZ 3Å; E1204-K1236 PolarHBondContact OE2-NZ 3.09Å
1237D85.2Confident84Confident8.8 Ų8.858.4 Ų58.45%0.04732%0.319CS..SBendtrans-66.3165.7-176.8-65.5-13.7000110.9R1168 N1202 D1203 E1204 D1235 G1242R1168-D1237 VanDerWaalsContact NH2-CA 3.32Å; N1202-D1237 VanDerWaalsContact C-OD2 3.24Å; N1202-D1237 VanDerWaalsContact CA-OD2 3.27Å; N1202-D1237 WeakPolarHBondContact CA-OD2 3.36Å; N1202-D1237 PolarHBondContact ND2-OD2 2.92Å; N1202-D1237 PolarHBondContact OD1-OD2 2.84Å; D1203-D1237 PolarHBondContact N-OD1 2.96Å; D1203-D1237 VanDerWaalsContact N-OD1 3.12Å; D1203-D1237 PolarHBondContact N-OD2 3.1Å; E1204-D1237 WeakPolarHBondContact CB-OD1 3.36Å; E1204-D1237 PolarHBondContact N-OD1 3.05Å; E1204-D1237 PolarHBondContact N-OD2 3.07Å; D1235-D1237 PolarHBondContact OD1-N 2.97Å; D1235-D1237 VanDerWaalsContact OD1-N 3.16Å; D1237-G1242 VanDerWaalsContact C-CA 3.49Å; D1237-G1242 WeakPolarHBondContact O-CA 3.32Å; D1237-G1242 PolarHBondContact O-N 3.06Å
1238T79.4Confident84.3Confident72.4 Ų72.456.5 Ų56.544%0.44430%0.303SS..  trans-105.4166176.858.10000112.2R1168 E1169 D1200 D1240 G1241 G1242R1168-T1238 PolarHBondContact NE-OG1 2.74Å; R1168-T1238 PolarHBondContact NH2-OG1 3.11Å; E1169-T1238 WeakPolarHBondContact OE1-CG2 3.32Å; E1169-T1238 PolarHBondContact OE1-N 3.03Å; E1169-T1238 PolarHBondContact OE1-OG1 2.94Å; D1200-T1238 WeakPolarHBondContact CB-OG1 3.3Å; D1200-T1238 VanDerWaalsContact CG-OG1 3.24Å; D1200-T1238 PolarHBondContact OD1-N 2.93Å; D1200-T1238 PolarHBondContact OD1-OG1 3.37Å; D1200-T1238 VanDerWaalsContact OD2-CA 3.24Å; D1200-T1238 WeakPolarHBondContact OD2-CA 3.29Å; D1200-T1238 VanDerWaalsContact OD2-CB 3.31Å; D1200-T1238 WeakPolarHBondContact OD2-CB 3.32Å; D1200-T1238 PolarHBondContact OD2-N 3.3Å; D1200-T1238 VanDerWaalsContact OD2-O 3.1Å; D1200-T1238 PolarHBondContact OD2-OG1 2.96Å; T1238-D1240 PolarHBondContact O-N 2.88Å; T1238-G1241 WeakPolarHBondContact O-CA 3.39Å; T1238-G1241 PolarHBondContact O-N 3.1Å; T1238-G1241 VanDerWaalsContact O-N 3.1Å; T1238-G1242 PolarHBondContact O-N 3.08Å
1239G80.6Confident84.5Confident64.8 Ų64.860.5 Ų60.567%0.66832%0.323SS*.THydrogen-bonded Turntrans65.7-132.4-176.400000112G1241 G1242 L1243G1239-G1241 VanDerWaalsContact C-N 3.33Å; G1239-G1241 PolarHBondContact O-N 2.78Å; G1239-G1242 PolarHBondContact O-N 2.94Å; G1239-L1243 PolarHBondContact O-N 3.16Å
1240D75.7Confident84.5Confident117 Ų11761.6 Ų61.663%0.62633%0.334SS*.THydrogen-bonded Turntrans-75.3-19.5-178.4-65.9-32.3000113.1T1238 L1243 G1288 A1289T1238-D1240 PolarHBondContact O-N 2.88Å; D1240-L1243 WeakPolarHBondContact O-CB 3.29Å; D1240-L1243 PolarHBondContact O-N 3.03Å; D1240-G1288 CarbonylContact O-C 3.52Å; D1240-G1288 VanDerWaalsContact O-C 3.31Å; D1240-G1288 WeakPolarHBondContact O-CA 3.34Å; D1240-G1288 PolarHBondContact O-N 2.92Å; D1240-A1289 HydrophobicContact CB-CB 4.21Å; D1240-A1289 PolarHBondContact O-N 3.04Å
1241G74.3Confident84.2Confident3.2 Ų3.260 Ų603%0.03333%0.33CS..THydrogen-bonded Turntrans-69.8-38.3176.100000113.3N1202 D1235 T1238 G1239 L1243 D1287N1202-G1241 WeakPolarHBondContact OD1-CA 3.4Å; N1202-G1241 PolarHBondContact OD1-O 2.72Å; D1235-G1241 WeakPolarHBondContact CB-O 2.9Å; T1238-G1241 WeakPolarHBondContact O-CA 3.39Å; T1238-G1241 PolarHBondContact O-N 3.1Å; T1238-G1241 VanDerWaalsContact O-N 3.1Å; G1239-G1241 VanDerWaalsContact C-N 3.33Å; G1239-G1241 PolarHBondContact O-N 2.78Å; G1241-L1243 VanDerWaalsContact C-N 3.26Å; G1241-L1243 PolarHBondContact O-N 3.05Å; G1241-D1287 VanDerWaalsContact O-CB 3.26Å; G1241-D1287 WeakPolarHBondContact O-CB 3.32Å
1242G78.1Confident84.1Confident28.8 Ų28.860.7 Ų60.730%0.29734%0.336SS..SBendtrans-71.62.4178.100000116.2D1237 T1238 G1239 V1244D1237-G1242 VanDerWaalsContact C-CA 3.49Å; D1237-G1242 WeakPolarHBondContact O-CA 3.32Å; D1237-G1242 PolarHBondContact O-N 3.06Å; T1238-G1242 PolarHBondContact O-N 3.08Å; G1239-G1242 PolarHBondContact O-N 2.94Å; G1242-V1244 PolarHBondContact O-N 3.22Å
1243L81.9Confident83.9Confident96 Ų9659.2 Ų59.250%0.50334%0.336SS..  trans-101.6120.6-169.9-170.664.6000112.5G1239 D1240 G1241 N1245 D1287 G1288G1239-L1243 PolarHBondContact O-N 3.16Å; D1240-L1243 WeakPolarHBondContact O-CB 3.29Å; D1240-L1243 PolarHBondContact O-N 3.03Å; G1241-L1243 VanDerWaalsContact C-N 3.26Å; G1241-L1243 PolarHBondContact O-N 3.05Å; L1243-N1245 PolarHBondContact O-ND2 2.81Å; L1243-D1287 CarbonylContact O-C 3.49Å; L1243-D1287 VanDerWaalsContact O-C 3.28Å; L1243-D1287 VanDerWaalsContact O-CA 3.26Å; L1243-D1287 WeakPolarHBondContact O-CA 3.3Å; L1243-D1287 VanDerWaalsContact O-CB 3.25Å; L1243-D1287 WeakPolarHBondContact O-CB 3.46Å; L1243-G1288 PolarHBondContact O-N 3.13Å; L1243-G1288 VanDerWaalsContact O-N 3.16Å
1244V85.8Confident83.7Confident20.2 Ų20.261.6 Ų61.612%0.12236%0.362CS..PPolyproline II helixtrans-108.5128.7-171.2-171.70000114.3P1206 A1233 D1235 G1242 Y1246 A1285 T1286P1206-V1244 HydrophobicContact CB-CB 4.33Å; P1206-V1244 HydrophobicContact CB-CG1 3.93Å; P1206-V1244 HydrophobicContact CB-CG2 4.04Å; P1206-V1244 HydrophobicContact CG-CG1 4.37Å; P1206-V1244 HydrophobicContact CG-CG2 4.28Å; A1233-V1244 HydrophobicContact CB-CG1 3.94Å; D1235-V1244 HydrophobicContact CB-CG2 4.07Å; G1242-V1244 PolarHBondContact O-N 3.22Å; V1244-Y1246 HydrophobicContact CB-CE2 4.43Å; V1244-Y1246 HydrophobicContact CG1-CD1 4.48Å; V1244-Y1246 HydrophobicContact CG1-CE1 4.2Å; V1244-Y1246 HydrophobicContact CG1-CE2 4.22Å; V1244-Y1246 WeakPolarHBondContact O-CE2 3.42Å; V1244-A1285 HydrophobicContact CG1-CB 3.61Å; V1244-T1286 CarbonylContact C-O 3.39Å; V1244-T1286 VanDerWaalsContact CA-O 3.26Å; V1244-T1286 WeakPolarHBondContact CA-O 3.33Å
1245N86.5Confident83.8Confident61 Ų6159.5 Ų59.533%0.32635%0.346SS..EExtended strand (participates in β ladder)trans-112.5136.7176.8-63.6-59.7000112.8L1243 E1260 A1285 T1286L1243-N1245 PolarHBondContact O-ND2 2.81Å; N1245-E1260 CarbonylContact C-O 3.54Å; N1245-E1260 WeakPolarHBondContact CA-O 3.24Å; N1245-E1260 HydrophobicContact CB-CG 3.99Å; N1245-A1285 CarbonylContact O-C 3.45Å; N1245-A1285 VanDerWaalsContact O-CA 3.28Å; N1245-A1285 WeakPolarHBondContact O-CA 3.33Å; N1245-A1285 WeakPolarHBondContact O-CB 3.3Å; N1245-T1286 PolarHBondContact N-O 3.13Å; N1245-T1286 PolarHBondContact ND2-O 2.88Å; N1245-T1286 PolarHBondContact O-N 3Å
1246Y91.1Very high84Confident19.4 Ų19.459.3 Ų59.38%0.07634%0.344CS..EExtended strand (participates in β ladder)trans-109.6149.3-175.3-54.5-78.8000114.8F1208 V1231 R1232 A1233 V1244 I1258 E1260 S1261 G1263 S1284 A1285F1208-Y1246 HydrophobicContact CD1-CD1 4.37Å; F1208-Y1246 HydrophobicContact CD1-CE1 4.44Å; F1208-Y1246 AromaticContact CE1-CD1 3.81Å; F1208-Y1246 HydrophobicContact CE1-CD1 3.81Å; F1208-Y1246 AromaticContact CE1-CE1 3.77Å; F1208-Y1246 HydrophobicContact CE1-CE1 3.89Å; F1208-Y1246 AromaticContact CE1-CG 3.88Å; F1208-Y1246 HydrophobicContact CE1-CG 3.88Å; F1208-Y1246 AromaticContact CZ-CD1 3.93Å; F1208-Y1246 HydrophobicContact CZ-CD1 4.02Å; F1208-Y1246 HydrophobicContact CZ-CE1 4.26Å; F1208-Y1246 HydrophobicContact CZ-CG 4.3Å; V1231-Y1246 HydrophobicContact CG2-CD1 3.76Å; V1231-Y1246 HydrophobicContact CG2-CE1 4.17Å; V1231-Y1246 HydrophobicContact CG2-CG 4.4Å; R1232-Y1246 WeakPolarHBondContact CA-OH 3.4Å; A1233-Y1246 HydrophobicContact CB-CD1 4.22Å; A1233-Y1246 HydrophobicContact CB-CE1 3.94Å; A1233-Y1246 VanDerWaalsContact N-CE1 3.35Å; A1233-Y1246 PolarHBondContact N-OH 3.09Å; A1233-Y1246 PolarHBondContact O-OH 3.06Å; A1233-Y1246 VanDerWaalsContact O-OH 3.07Å; V1244-Y1246 HydrophobicContact CB-CE2 4.43Å; V1244-Y1246 HydrophobicContact CG1-CD1 4.48Å; V1244-Y1246 HydrophobicContact CG1-CE1 4.2Å; V1244-Y1246 HydrophobicContact CG1-CE2 4.22Å; V1244-Y1246 WeakPolarHBondContact O-CE2 3.42Å; Y1246-I1258 HydrophobicContact CG-CD1 4.47Å; Y1246-E1260 WeakPolarHBondContact CB-O 3.34Å; Y1246-E1260 WeakPolarHBondContact CD2-O 3.38Å; Y1246-E1260 PolarHBondContact N-O 3.01Å; Y1246-E1260 WeakPolarHBondContact O-CA 3.39Å; Y1246-E1260 WeakPolarHBondContact O-CG 3.28Å; Y1246-S1261 VanDerWaalsContact CE2-C 3.47Å; Y1246-S1261 VanDerWaalsContact CE2-O 3.32Å; Y1246-S1261 WeakPolarHBondContact CE2-O 3.16Å; Y1246-G1263 VanDerWaalsContact CD2-CA 3.48Å; Y1246-G1263 VanDerWaalsContact CD2-N 3.33Å; Y1246-S1284 CarbonylContact C-O 3.51Å; Y1246-S1284 VanDerWaalsContact CA-O 3.28Å; Y1246-S1284 WeakPolarHBondContact CA-O 3.4Å; Y1246-A1285 HydrophobicContact CD1-CB 4.27Å; Y1246-A1285 HydrophobicContact CE1-CB 4.31Å
1247R90.3Very high84.4Confident159.6 Ų159.659.9 Ų59.960%0.60235%0.348SS*.EExtended strand (participates in β ladder)trans-156.6136.3176.6179.7178-141.2-175.72.9114.9L1249 V1283 S1284R1247-L1249 PolarHBondContact O-N 2.94Å; R1247-V1283 CarbonylContact O-C 3.52Å; R1247-V1283 VanDerWaalsContact O-C 3.26Å; R1247-V1283 VanDerWaalsContact O-CA 3.28Å; R1247-V1283 WeakPolarHBondContact O-CA 3.22Å; R1247-V1283 VanDerWaalsContact O-CG1 3.23Å; R1247-V1283 WeakPolarHBondContact O-CG1 3.46Å; R1247-S1284 WeakPolarHBondContact CB-OG 3.37Å; R1247-S1284 PolarHBondContact N-O 3.2Å; R1247-S1284 PolarHBondContact O-N 2.97Å; R1247-S1284 PolarHBondContact O-OG 2.96Å
1248I89.6Confident84.7Confident36.6 Ų36.660.6 Ų60.619%0.18835%0.352CS..EExtended strand (participates in β ladder)trans-75.6131.1168.7-77.3165000110.2S1250 A1252 I1258 I1265 M1281 N1282 V1283I1248-S1250 WeakPolarHBondContact CG2-O 3.22Å; I1248-A1252 HydrophobicContact CD1-CB 4.37Å; I1248-A1252 HydrophobicContact CG2-CB 4.22Å; I1248-I1258 HydrophobicContact CB-CB 4.19Å; I1248-I1258 HydrophobicContact CB-CG2 4.05Å; I1248-I1258 VanDerWaalsContact CB-CG2 3.42Å; I1248-I1258 HydrophobicContact CD1-CB 3.69Å; I1248-I1258 HydrophobicContact CD1-CG2 3.95Å; I1248-I1258 HydrophobicContact CG1-CB 3.81Å; I1248-I1258 HydrophobicContact CG1-CD1 4.36Å; I1248-I1258 HydrophobicContact CG1-CG2 3.67Å; I1248-I1258 VanDerWaalsContact N-CG2 3.29Å; I1248-I1265 HydrophobicContact CD1-CD1 4.25Å; I1248-I1265 HydrophobicContact CD1-CG1 4.33Å; I1248-I1265 HydrophobicContact CD1-CG2 4.38Å; I1248-I1265 HydrophobicContact CG1-CD1 4.37Å; I1248-M1281 HydrophobicContact CD1-SD 3.98Å; I1248-M1281 HydrophobicContact CG2-CB 4.36Å; I1248-M1281 HydrophobicContact CG2-CG 4.45Å; I1248-N1282 CarbonylContact C-O 3.52Å; I1248-N1282 VanDerWaalsContact CA-O 3.26Å; I1248-N1282 WeakPolarHBondContact CA-O 3.31Å; I1248-N1282 WeakPolarHBondContact CG1-O 3.33Å; I1248-V1283 HydrophobicContact CG1-CG2 4Å
1249L87.9Confident85.1Confident95.4 Ų95.460.4 Ų60.450%0.49935%0.348SS..EExtended strand (participates in β ladder)trans-97.3-36.4178.4-60.3178.2000113.6R1247 N1282 F1296R1247-L1249 PolarHBondContact O-N 2.94Å; L1249-N1282 HydrophobicContact CB-CB 4.3Å; L1249-N1282 PolarHBondContact N-O 3.03Å; L1249-F1296 HydrophobicContact CD1-CD1 3.98Å; L1249-F1296 HydrophobicContact CD1-CE1 4.08Å
1250S87.5Confident85.4Confident57.6 Ų57.663 Ų6340%0.40334%0.343SS..EExtended strand (participates in β ladder)trans-164.7163.3-176.761.90000112.7I1248 A1252 M1281 N1282I1248-S1250 WeakPolarHBondContact CG2-O 3.22Å; S1250-A1252 PolarHBondContact O-N 3.12Å; S1250-M1281 CarbonylContact O-C 3.4Å; S1250-M1281 VanDerWaalsContact O-CA 3.24Å; S1250-M1281 WeakPolarHBondContact O-CA 3.38Å; S1250-M1281 WeakPolarHBondContact O-CB 3.44Å; S1250-N1282 PolarHBondContact N-O 3.3Å; S1250-N1282 PolarHBondContact O-N 2.96Å; S1250-N1282 WeakPolarHBondContact OG-CB 3.27Å; S1250-N1282 PolarHBondContact OG-ND2 3.12Å; S1250-N1282 VanDerWaalsContact OG-ND2 3.07Å
1251G82Confident85.7Confident30.4 Ų30.461.4 Ų61.431%0.31334%0.341SS..  trans98.7-4.6161.300000117.5E1253 L1280G1251-E1253 PolarHBondContact O-N 3.01Å; G1251-L1280 CarbonylContact C-O 3.52Å; G1251-L1280 VanDerWaalsContact CA-O 3.25Å; G1251-L1280 WeakPolarHBondContact CA-O 3.33Å
1252A84Confident86.1Confident15 Ų1564.7 Ų64.712%0.12436%0.36CS..  trans-76.6-16.5-176.500000115.6I1248 S1250 G1254 K1255 F1256 M1281I1248-A1252 HydrophobicContact CD1-CB 4.37Å; I1248-A1252 HydrophobicContact CG2-CB 4.22Å; S1250-A1252 PolarHBondContact O-N 3.12Å; A1252-G1254 PolarHBondContact O-N 3.05Å; A1252-K1255 WeakPolarHBondContact O-CA 3.07Å; A1252-K1255 WeakPolarHBondContact O-CB 3.49Å; A1252-K1255 WeakPolarHBondContact O-CG 3.06Å; A1252-K1255 PolarHBondContact O-N 2.84Å; A1252-F1256 HydrophobicContact CB-CB 4.02Å; A1252-F1256 HydrophobicContact CB-CD2 4.23Å; A1252-F1256 VanDerWaalsContact CB-O 3.3Å; A1252-F1256 WeakPolarHBondContact CB-O 3.19Å; A1252-F1256 PolarHBondContact O-N 2.87Å; A1252-M1281 HydrophobicContact CB-CG 4.2Å; A1252-M1281 HydrophobicContact CB-SD 4Å
1253E83.6Confident86.5Confident129.4 Ų129.463.3 Ų63.361%0.60535%0.346SS*.THydrogen-bonded Turntrans49.425.1179.7-64.5-173.6-16400115.8G1251 K1255 K1276 Y1279G1251-E1253 PolarHBondContact O-N 3.01Å; E1253-K1255 VanDerWaalsContact C-N 3.26Å; E1253-K1255 HydrophobicContact CB-CG 4.44Å; E1253-K1255 PolarHBondContact O-N 3.03Å; E1253-K1276 IonicContact OE1-NZ 2.78Å; E1253-K1276 PolarHBondContact OE1-NZ 3.2Å; E1253-K1276 VanDerWaalsContact OE2-CE 3.32Å; E1253-K1276 WeakPolarHBondContact OE2-CE 3.43Å; E1253-K1276 IonicContact OE2-NZ 3.39Å; E1253-K1276 PolarHBondContact OE2-NZ 2.93Å; E1253-Y1279 HydrophobicContact CB-CD1 4.36Å; E1253-Y1279 HydrophobicContact CB-CE1 4.45Å
1254G82.6Confident86.9Confident57.8 Ų57.861.3 Ų61.360%0.59634%0.336SS*.THydrogen-bonded Turntrans74.311.6-175.800000114.6A1252 V1268A1252-G1254 PolarHBondContact O-N 3.05Å; G1254-V1268 VanDerWaalsContact O-CG2 3.25Å; G1254-V1268 WeakPolarHBondContact O-CG2 3.2Å
1255K86.1Confident87Confident39.6 Ų39.660.4 Ų60.417%0.17233%0.33CS..THydrogen-bonded Turntrans-101-16.9177-59.8-60.4-166178.70113.8A1252 E1253 T1267 V1268 D1269 Y1270 L1271 Y1279A1252-K1255 WeakPolarHBondContact O-CA 3.07Å; A1252-K1255 WeakPolarHBondContact O-CB 3.49Å; A1252-K1255 WeakPolarHBondContact O-CG 3.06Å; A1252-K1255 PolarHBondContact O-N 2.84Å; E1253-K1255 VanDerWaalsContact C-N 3.26Å; E1253-K1255 HydrophobicContact CB-CG 4.44Å; E1253-K1255 PolarHBondContact O-N 3.03Å; K1255-T1267 CarbonylContact O-C 3.55Å; K1255-T1267 VanDerWaalsContact O-C 3.32Å; K1255-T1267 VanDerWaalsContact O-CA 3.28Å; K1255-T1267 WeakPolarHBondContact O-CA 3.3Å; K1255-V1268 HydrophobicContact CB-CG2 4.5Å; K1255-V1268 PolarHBondContact O-N 2.94Å; K1255-D1269 HydrophobicContact CD-CB 3.76Å; K1255-D1269 WeakPolarHBondContact CD-OD2 3.39Å; K1255-D1269 WeakPolarHBondContact CE-OD2 3.18Å; K1255-D1269 IonicContact NZ-OD1 3.51Å; K1255-D1269 IonicContact NZ-OD2 3.2Å; K1255-D1269 PolarHBondContact NZ-OD2 3.27Å; K1255-Y1270 WeakPolarHBondContact CE-O 3.22Å; K1255-Y1270 PolarHBondContact NZ-O 2.94Å; K1255-L1271 HydrophobicContact CB-CD2 3.97Å; K1255-L1271 HydrophobicContact CG-CD2 4.25Å; K1255-Y1279 HydrophobicContact CB-CD1 4.46Å; K1255-Y1279 HydrophobicContact CB-CE1 4.15Å; K1255-Y1279 HydrophobicContact CG-CE1 3.96Å
1256F90.6Very high87.1Confident16.2 Ų16.259.3 Ų59.37%0.07133%0.326CS..EExtended strand (participates in β ladder)trans-137.5150.7-175.9-53.4-85.7000113.5L1218 V1228 A1252 I1265 V1266 T1267 L1271 Y1279 M1281 V1301L1218-F1256 HydrophobicContact CD2-CE1 4.06Å; L1218-F1256 HydrophobicContact CD2-CZ 4.26Å; V1228-F1256 HydrophobicContact CB-CD1 4.43Å; V1228-F1256 HydrophobicContact CB-CE1 4.44Å; V1228-F1256 HydrophobicContact CG1-CD1 4.26Å; V1228-F1256 HydrophobicContact CG1-CE1 4.23Å; V1228-F1256 HydrophobicContact CG2-CD1 3.77Å; V1228-F1256 HydrophobicContact CG2-CE1 3.66Å; A1252-F1256 HydrophobicContact CB-CB 4.02Å; A1252-F1256 HydrophobicContact CB-CD2 4.23Å; A1252-F1256 VanDerWaalsContact CB-O 3.3Å; A1252-F1256 WeakPolarHBondContact CB-O 3.19Å; A1252-F1256 PolarHBondContact O-N 2.87Å; F1256-I1265 HydrophobicContact CB-CG2 3.94Å; F1256-I1265 HydrophobicContact CD1-CG2 4.21Å; F1256-I1265 HydrophobicContact CG-CG2 4.39Å; F1256-V1266 CarbonylContact C-O 3.45Å; F1256-V1266 VanDerWaalsContact CA-O 3.27Å; F1256-V1266 WeakPolarHBondContact CA-O 3.21Å; F1256-V1266 WeakPolarHBondContact CB-O 3.38Å; F1256-V1266 WeakPolarHBondContact CD1-O 3.3Å; F1256-V1266 WeakPolarHBondContact CG-O 3.24Å; F1256-T1267 HydrophobicContact CD1-CG2 4.29Å; F1256-T1267 HydrophobicContact CE1-CG2 3.8Å; F1256-T1267 HydrophobicContact CZ-CG2 4.34Å; F1256-L1271 HydrophobicContact CE1-CD1 4.37Å; F1256-L1271 HydrophobicContact CE1-CD2 4.49Å; F1256-L1271 HydrophobicContact CE2-CD2 4.21Å; F1256-L1271 HydrophobicContact CZ-CD1 4.18Å; F1256-L1271 HydrophobicContact CZ-CD2 3.79Å; F1256-Y1279 HydrophobicContact CD2-CD1 4.2Å; F1256-Y1279 HydrophobicContact CD2-CD2 4.34Å; F1256-Y1279 HydrophobicContact CD2-CE1 4.48Å; F1256-Y1279 AromaticContact CD2-CG 3.94Å; F1256-Y1279 HydrophobicContact CD2-CG 4.17Å; F1256-Y1279 AromaticContact CE2-CD1 3.73Å; F1256-Y1279 HydrophobicContact CE2-CD1 3.73Å; F1256-Y1279 AromaticContact CE2-CD2 3.53Å; F1256-Y1279 HydrophobicContact CE2-CD2 3.53Å; F1256-Y1279 VanDerWaalsContact CE2-CD2 3.49Å; F1256-Y1279 AromaticContact CE2-CE1 3.76Å; F1256-Y1279 HydrophobicContact CE2-CE1 4.07Å; F1256-Y1279 AromaticContact CE2-CE2 3.78Å; F1256-Y1279 HydrophobicContact CE2-CE2 3.9Å; F1256-Y1279 AromaticContact CE2-CG 3.45Å; F1256-Y1279 HydrophobicContact CE2-CG 3.45Å; F1256-Y1279 VanDerWaalsContact CE2-CG 3.44Å; F1256-Y1279 AromaticContact CE2-CZ 3.77Å; F1256-Y1279 AromaticContact CZ-CD2 3.86Å; F1256-Y1279 HydrophobicContact CZ-CD2 3.86Å; F1256-Y1279 AromaticContact CZ-CE2 3.77Å; F1256-Y1279 HydrophobicContact CZ-CE2 4.14Å; F1256-Y1279 HydrophobicContact CZ-CG 4.22Å; F1256-M1281 HydrophobicContact CB-CE 4.25Å; F1256-M1281 HydrophobicContact CB-CG 4.42Å; F1256-M1281 HydrophobicContact CB-SD 3.67Å; F1256-M1281 VanDerWaalsContact CB-SD 3.58Å; F1256-M1281 WeakPolarHBondContact CB-SD 3.45Å; F1256-M1281 HydrophobicContact CD1-CE 4.12Å; F1256-M1281 VanDerWaalsContact CD1-CE 3.47Å; F1256-M1281 HydrophobicContact CD1-SD 3.79Å; F1256-M1281 HydrophobicContact CD2-CE 3.84Å; F1256-M1281 HydrophobicContact CD2-CG 4.37Å; F1256-M1281 HydrophobicContact CD2-SD 3.93Å; F1256-M1281 VanDerWaalsContact CD2-SD 3.56Å; F1256-M1281 HydrophobicContact CE1-CE 3.57Å; F1256-M1281 HydrophobicContact CE1-SD 4.49Å; F1256-M1281 HydrophobicContact CE2-CE 3.8Å; F1256-M1281 HydrophobicContact CE2-SD 4.31Å; F1256-M1281 HydrophobicContact CG-CE 3.94Å; F1256-M1281 HydrophobicContact CG-SD 3.91Å; F1256-M1281 WeakPolarHBondContact CG-SD 3.34Å; F1256-M1281 HydrophobicContact CZ-CE 3.53Å; F1256-V1301 HydrophobicContact CE1-CG1 4.24Å; F1256-V1301 HydrophobicContact CE1-CG2 4.13Å; F1256-V1301 HydrophobicContact CE2-CG2 4.45Å; F1256-V1301 HydrophobicContact CZ-CB 4.38Å; F1256-V1301 HydrophobicContact CZ-CG1 4.28Å; F1256-V1301 HydrophobicContact CZ-CG2 4.14Å
1257E89.9Confident86.8Confident127.8 Ų127.858.6 Ų58.660%0.59732%0.323SS*.EExtended strand (participates in β ladder)trans-137.4160.2173.6-173162.3-14300110.6I1265 V1266 V1268E1257-I1265 CarbonylContact O-C 3.57Å; E1257-I1265 VanDerWaalsContact O-CA 3.27Å; E1257-I1265 WeakPolarHBondContact O-CA 3.24Å; E1257-I1265 WeakPolarHBondContact O-CB 3.34Å; E1257-I1265 WeakPolarHBondContact O-CG1 3.38Å; E1257-I1265 WeakPolarHBondContact O-CG2 3.19Å; E1257-V1266 HydrophobicContact CB-CG2 4.45Å; E1257-V1266 PolarHBondContact N-O 2.96Å; E1257-V1266 VanDerWaalsContact N-O 3.12Å; E1257-V1266 PolarHBondContact O-N 3.13Å; E1257-V1268 HydrophobicContact CB-CB 4.39Å; E1257-V1268 HydrophobicContact CB-CG1 3.59Å; E1257-V1268 VanDerWaalsContact CB-CG1 3.44Å; E1257-V1268 HydrophobicContact CB-CG2 4.37Å; E1257-V1268 HydrophobicContact CG-CG1 4.43Å; E1257-V1268 WeakPolarHBondContact OE2-CG1 3.11Å
1258I92Very high86.6Confident24.4 Ų24.453.7 Ų53.713%0.12531%0.311CS..EExtended strand (participates in β ladder)trans-122.1142.9175.7-162.5167.1000111.7V1231 Y1246 I1248 E1260 L1264 I1265 V1283V1231-I1258 HydrophobicContact CG1-CD1 4.06Å; V1231-I1258 HydrophobicContact CG2-CD1 3.76Å; Y1246-I1258 HydrophobicContact CG-CD1 4.47Å; I1248-I1258 HydrophobicContact CB-CB 4.19Å; I1248-I1258 HydrophobicContact CB-CG2 4.05Å; I1248-I1258 VanDerWaalsContact CB-CG2 3.42Å; I1248-I1258 HydrophobicContact CD1-CB 3.69Å; I1248-I1258 HydrophobicContact CD1-CG2 3.95Å; I1248-I1258 HydrophobicContact CG1-CB 3.81Å; I1248-I1258 HydrophobicContact CG1-CD1 4.36Å; I1248-I1258 HydrophobicContact CG1-CG2 3.67Å; I1248-I1258 VanDerWaalsContact N-CG2 3.29Å; I1258-E1260 PolarHBondContact O-N 3.04Å; I1258-L1264 CarbonylContact C-O 3.53Å; I1258-L1264 VanDerWaalsContact CA-O 3.31Å; I1258-L1264 WeakPolarHBondContact CA-O 3.14Å; I1258-I1265 HydrophobicContact CB-CG1 4.07Å; I1258-I1265 HydrophobicContact CD1-CD1 4.23Å; I1258-I1265 HydrophobicContact CD1-CG1 3.89Å; I1258-I1265 HydrophobicContact CG1-CD1 4.19Å; I1258-I1265 HydrophobicContact CG1-CG1 3.82Å; I1258-V1283 HydrophobicContact CD1-CG1 3.71Å; I1258-V1283 HydrophobicContact CD1-CG2 4.04Å
1259D87.4Confident86.3Confident68.8 Ų68.855.2 Ų55.237%0.36832%0.319SS..  trans-80.9129.1169.5177.8-84.2000111.3S1261 T1262 G1263 L1264D1259-S1261 VanDerWaalsContact C-N 3.33Å; D1259-S1261 PolarHBondContact O-N 2.97Å; D1259-S1261 WeakPolarHBondContact OD1-CA 3.32Å; D1259-S1261 PolarHBondContact OD1-N 3.02Å; D1259-S1261 PolarHBondContact OD1-OG 2.97Å; D1259-T1262 VanDerWaalsContact CB-OG1 3.29Å; D1259-T1262 WeakPolarHBondContact CB-OG1 3.29Å; D1259-T1262 VanDerWaalsContact CG-OG1 3.27Å; D1259-T1262 PolarHBondContact O-N 3.27Å; D1259-T1262 WeakPolarHBondContact OD1-CA 3.44Å; D1259-T1262 WeakPolarHBondContact OD1-CB 3.23Å; D1259-T1262 WeakPolarHBondContact OD1-CG2 3.28Å; D1259-T1262 PolarHBondContact OD1-N 3.11Å; D1259-T1262 PolarHBondContact OD1-OG1 3.12Å; D1259-G1263 WeakPolarHBondContact O-CA 3.18Å; D1259-G1263 PolarHBondContact O-N 3.16Å; D1259-G1263 PolarHBondContact OD1-N 2.86Å; D1259-L1264 HydrophobicContact CB-CB 4.4Å; D1259-L1264 PolarHBondContact N-O 3.1Å
1260E86.2Confident85.9Confident119.6 Ų119.658 Ų5856%0.55932%0.324SS*.THydrogen-bonded Turntrans-69.6-23.3-173.2-178162.3-145.400113.6N1245 Y1246 I1258N1245-E1260 CarbonylContact C-O 3.54Å; N1245-E1260 WeakPolarHBondContact CA-O 3.24Å; N1245-E1260 HydrophobicContact CB-CG 3.99Å; Y1246-E1260 WeakPolarHBondContact CB-O 3.34Å; Y1246-E1260 WeakPolarHBondContact CD2-O 3.38Å; Y1246-E1260 PolarHBondContact N-O 3.01Å; Y1246-E1260 WeakPolarHBondContact O-CA 3.39Å; Y1246-E1260 WeakPolarHBondContact O-CG 3.28Å; I1258-E1260 PolarHBondContact O-N 3.04Å
1261S82.3Confident85.7Confident83.2 Ų83.256 Ų5658%0.58231%0.309SS*.THydrogen-bonded Turntrans-101.9-24.1-176.769.70000114.6Y1246 D1259Y1246-S1261 VanDerWaalsContact CE2-C 3.47Å; Y1246-S1261 VanDerWaalsContact CE2-O 3.32Å; Y1246-S1261 WeakPolarHBondContact CE2-O 3.16Å; D1259-S1261 VanDerWaalsContact C-N 3.33Å; D1259-S1261 PolarHBondContact O-N 2.97Å; D1259-S1261 WeakPolarHBondContact OD1-CA 3.32Å; D1259-S1261 PolarHBondContact OD1-N 3.02Å; D1259-S1261 PolarHBondContact OD1-OG 2.97Å
1262T83.7Confident85.6Confident71.8 Ų71.857.7 Ų57.744%0.4431%0.311SS..THydrogen-bonded Turntrans-118.8-18.8-172.762.40000114.2V1230 V1231 D1259 L1264V1230-T1262 VanDerWaalsContact CG1-O 3.26Å; V1230-T1262 WeakPolarHBondContact CG1-O 3.28Å; V1231-T1262 CarbonylContact O-C 3.55Å; D1259-T1262 VanDerWaalsContact CB-OG1 3.29Å; D1259-T1262 WeakPolarHBondContact CB-OG1 3.29Å; D1259-T1262 VanDerWaalsContact CG-OG1 3.27Å; D1259-T1262 PolarHBondContact O-N 3.27Å; D1259-T1262 WeakPolarHBondContact OD1-CA 3.44Å; D1259-T1262 WeakPolarHBondContact OD1-CB 3.23Å; D1259-T1262 WeakPolarHBondContact OD1-CG2 3.28Å; D1259-T1262 PolarHBondContact OD1-N 3.11Å; D1259-T1262 PolarHBondContact OD1-OG1 3.12Å; T1262-L1264 PolarHBondContact O-N 3.14Å; T1262-L1264 WeakPolarHBondContact OG1-CB 3.38Å; T1262-L1264 PolarHBondContact OG1-N 2.93Å
1263G85.4Confident85.3Confident0 Ų061 Ų610%032%0.321CS..  trans74.315.4179.300000115.6V1230 V1231 Y1246 D1259 I1265V1230-G1263 CarbonylContact C-O 3.47Å; V1230-G1263 VanDerWaalsContact CA-O 3.29Å; V1230-G1263 WeakPolarHBondContact CA-O 3.26Å; V1231-G1263 WeakPolarHBondContact CG2-O 3.36Å; V1231-G1263 PolarHBondContact N-O 3.13Å; Y1246-G1263 VanDerWaalsContact CD2-CA 3.48Å; Y1246-G1263 VanDerWaalsContact CD2-N 3.33Å; D1259-G1263 WeakPolarHBondContact O-CA 3.18Å; D1259-G1263 PolarHBondContact O-N 3.16Å; D1259-G1263 PolarHBondContact OD1-N 2.86Å; G1263-I1265 PolarHBondContact O-N 3.05Å
1264L90.7Very high84.9Confident53 Ų5360.3 Ų60.328%0.27732%0.317SS..EExtended strand (participates in β ladder)trans-76.9126.8178.1173.164000111.8I1229 V1230 I1258 D1259 T1262 V1266I1229-L1264 CarbonylContact O-C 3.52Å; I1229-L1264 WeakPolarHBondContact O-CA 3.37Å; V1230-L1264 HydrophobicContact CG2-CB 4.12Å; V1230-L1264 HydrophobicContact CG2-CD1 3.55Å; V1230-L1264 VanDerWaalsContact CG2-CD1 3.47Å; V1230-L1264 HydrophobicContact CG2-CG 4.42Å; I1258-L1264 CarbonylContact C-O 3.53Å; I1258-L1264 VanDerWaalsContact CA-O 3.31Å; I1258-L1264 WeakPolarHBondContact CA-O 3.14Å; D1259-L1264 HydrophobicContact CB-CB 4.4Å; D1259-L1264 PolarHBondContact N-O 3.1Å; T1262-L1264 PolarHBondContact O-N 3.14Å; T1262-L1264 WeakPolarHBondContact OG1-CB 3.38Å; T1262-L1264 PolarHBondContact OG1-N 2.93Å; L1264-V1266 HydrophobicContact CD1-CG1 4.37Å; L1264-V1266 HydrophobicContact CD2-CG1 3.88Å; L1264-V1266 HydrophobicContact CG-CG1 3.86Å
1265I88.5Confident84.4Confident0.8 Ų0.862.5 Ų62.50%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-100131.9173.2-57179.5000110.1V1228 I1229 V1231 I1248 F1256 E1257 I1258 G1263 M1281 V1283 V1299V1228-I1265 WeakPolarHBondContact CA-O 3.34Å; V1228-I1265 HydrophobicContact CB-CB 4.46Å; V1228-I1265 HydrophobicContact CB-CG2 4.29Å; V1228-I1265 WeakPolarHBondContact CB-O 3.35Å; V1228-I1265 HydrophobicContact CG2-CG2 4.49Å; V1228-I1265 PolarHBondContact N-O 2.77Å; I1229-I1265 HydrophobicContact CG2-CB 4.27Å; I1229-I1265 HydrophobicContact CG2-CD1 4.11Å; I1229-I1265 HydrophobicContact CG2-CG1 4.42Å; I1229-I1265 PolarHBondContact N-O 2.92Å; I1229-I1265 WeakPolarHBondContact O-CA 3.05Å; I1229-I1265 WeakPolarHBondContact O-CB 3.29Å; I1229-I1265 PolarHBondContact O-N 3.2Å; V1231-I1265 HydrophobicContact CG1-CD1 4.37Å; I1248-I1265 HydrophobicContact CD1-CD1 4.25Å; I1248-I1265 HydrophobicContact CD1-CG1 4.33Å; I1248-I1265 HydrophobicContact CD1-CG2 4.38Å; I1248-I1265 HydrophobicContact CG1-CD1 4.37Å; F1256-I1265 HydrophobicContact CB-CG2 3.94Å; F1256-I1265 HydrophobicContact CD1-CG2 4.21Å; F1256-I1265 HydrophobicContact CG-CG2 4.39Å; E1257-I1265 CarbonylContact O-C 3.57Å; E1257-I1265 VanDerWaalsContact O-CA 3.27Å; E1257-I1265 WeakPolarHBondContact O-CA 3.24Å; E1257-I1265 WeakPolarHBondContact O-CB 3.34Å; E1257-I1265 WeakPolarHBondContact O-CG1 3.38Å; E1257-I1265 WeakPolarHBondContact O-CG2 3.19Å; I1258-I1265 HydrophobicContact CB-CG1 4.07Å; I1258-I1265 HydrophobicContact CD1-CD1 4.23Å; I1258-I1265 HydrophobicContact CD1-CG1 3.89Å; I1258-I1265 HydrophobicContact CG1-CD1 4.19Å; I1258-I1265 HydrophobicContact CG1-CG1 3.82Å; G1263-I1265 PolarHBondContact O-N 3.05Å; I1265-M1281 HydrophobicContact CD1-CE 4.37Å; I1265-M1281 HydrophobicContact CD1-SD 4.21Å; I1265-M1281 HydrophobicContact CG2-CE 4.16Å; I1265-M1281 HydrophobicContact CG2-SD 4.27Å; I1265-V1283 HydrophobicContact CD1-CG2 4.31Å; I1265-V1299 HydrophobicContact CD1-CB 4.23Å; I1265-V1299 HydrophobicContact CD1-CG1 4.09Å; I1265-V1299 HydrophobicContact CD1-CG2 3.81Å
1266V87.9Confident84Confident39.4 Ų39.464.2 Ų64.224%0.23933%0.327CS..EExtended strand (participates in β ladder)trans-124.6159.8179.3-620000112.5T1226 V1228 F1256 E1257 L1264 V1268T1226-V1266 CarbonylContact O-C 3.53Å; T1226-V1266 VanDerWaalsContact O-CA 3.28Å; T1226-V1266 WeakPolarHBondContact O-CA 3.37Å; V1228-V1266 VanDerWaalsContact CG2-C 3.47Å; F1256-V1266 CarbonylContact C-O 3.45Å; F1256-V1266 VanDerWaalsContact CA-O 3.27Å; F1256-V1266 WeakPolarHBondContact CA-O 3.21Å; F1256-V1266 WeakPolarHBondContact CB-O 3.38Å; F1256-V1266 WeakPolarHBondContact CD1-O 3.3Å; F1256-V1266 WeakPolarHBondContact CG-O 3.24Å; E1257-V1266 HydrophobicContact CB-CG2 4.45Å; E1257-V1266 PolarHBondContact N-O 2.96Å; E1257-V1266 VanDerWaalsContact N-O 3.12Å; E1257-V1266 PolarHBondContact O-N 3.13Å; L1264-V1266 HydrophobicContact CD1-CG1 4.37Å; L1264-V1266 HydrophobicContact CD2-CG1 3.88Å; L1264-V1266 HydrophobicContact CG-CG1 3.86Å; V1266-V1268 HydrophobicContact CG2-CG1 4.27Å
1267T85.2Confident83.5Confident4.6 Ų4.666.8 Ų66.83%0.02835%0.345CS..EExtended strand (participates in β ladder)trans-79.5142.8167.859.40000111.8L1218 G1223 G1225 T1226 V1228 K1255 F1256 L1271L1218-T1267 HydrophobicContact CD2-CG2 4.17Å; G1223-T1267 PolarHBondContact O-OG1 3.16Å; G1225-T1267 VanDerWaalsContact CA-O 3.27Å; G1225-T1267 WeakPolarHBondContact CA-O 3.32Å; G1225-T1267 PolarHBondContact N-O 3.03Å; G1225-T1267 PolarHBondContact N-OG1 3.3Å; T1226-T1267 WeakPolarHBondContact CB-OG1 3.35Å; T1226-T1267 PolarHBondContact N-OG1 3.01Å; T1226-T1267 PolarHBondContact O-N 3.09Å; T1226-T1267 PolarHBondContact O-OG1 3.02Å; V1228-T1267 HydrophobicContact CG2-CG2 3.79Å; K1255-T1267 CarbonylContact O-C 3.55Å; K1255-T1267 VanDerWaalsContact O-C 3.32Å; K1255-T1267 VanDerWaalsContact O-CA 3.28Å; K1255-T1267 WeakPolarHBondContact O-CA 3.3Å; F1256-T1267 HydrophobicContact CD1-CG2 4.29Å; F1256-T1267 HydrophobicContact CE1-CG2 3.8Å; F1256-T1267 HydrophobicContact CZ-CG2 4.34Å; T1267-L1271 HydrophobicContact CG2-CD1 3.71Å; T1267-L1271 HydrophobicContact CG2-CG 4.24Å
1268V84.4Confident83.3Confident56.2 Ų56.262.6 Ų62.634%0.34133%0.329SS..  trans-122.60.9174.1-640000115.7I1224 G1254 K1255 E1257 V1266I1224-V1268 HydrophobicContact CG2-CB 4.47Å; G1254-V1268 VanDerWaalsContact O-CG2 3.25Å; G1254-V1268 WeakPolarHBondContact O-CG2 3.2Å; K1255-V1268 HydrophobicContact CB-CG2 4.5Å; K1255-V1268 PolarHBondContact O-N 2.94Å; E1257-V1268 HydrophobicContact CB-CB 4.39Å; E1257-V1268 HydrophobicContact CB-CG1 3.59Å; E1257-V1268 VanDerWaalsContact CB-CG1 3.44Å; E1257-V1268 HydrophobicContact CB-CG2 4.37Å; E1257-V1268 HydrophobicContact CG-CG1 4.43Å; E1257-V1268 WeakPolarHBondContact OE2-CG1 3.11Å; V1266-V1268 HydrophobicContact CG2-CG1 4.27Å
1269D83.6Confident83Confident68.2 Ų68.262.3 Ų62.337%0.36533%0.326SS..SBendtrans-151.4164.6176.5-171.213.7000110.7K1255 L1271K1255-D1269 HydrophobicContact CD-CB 3.76Å; K1255-D1269 WeakPolarHBondContact CD-OD2 3.39Å; K1255-D1269 WeakPolarHBondContact CE-OD2 3.18Å; K1255-D1269 IonicContact NZ-OD1 3.51Å; K1255-D1269 IonicContact NZ-OD2 3.2Å; K1255-D1269 PolarHBondContact NZ-OD2 3.27Å; D1269-L1271 PolarHBondContact O-N 2.93Å
1270Y81Confident83.1Confident153.6 Ų153.663.6 Ų63.660%0.60233%0.333SS*.  trans-70.3152.8-174.1-70.9-80.5000113.6A1222 I1224 K1255A1222-Y1270 WeakPolarHBondContact O-CD1 3.31Å; I1224-Y1270 HydrophobicContact CD1-CD2 4.06Å; I1224-Y1270 HydrophobicContact CD1-CE2 3.79Å; I1224-Y1270 HydrophobicContact CD1-CG 4.2Å; I1224-Y1270 HydrophobicContact CG1-CD1 4.37Å; I1224-Y1270 HydrophobicContact CG1-CD2 4.31Å; I1224-Y1270 HydrophobicContact CG1-CE1 4.47Å; I1224-Y1270 HydrophobicContact CG1-CE2 4.23Å; I1224-Y1270 HydrophobicContact CG1-CG 4.19Å; K1255-Y1270 WeakPolarHBondContact CE-O 3.22Å; K1255-Y1270 PolarHBondContact NZ-O 2.94Å
1271L82.4Confident83.3Confident17.2 Ų17.258 Ų589%0.0931%0.307CS..  trans-113.3152.6178.5-60.1172.7000110.3L1218 E1220 A1222 K1255 F1256 T1267 D1269 Y1279 L1303L1218-L1271 HydrophobicContact CB-CD1 4.17Å; L1218-L1271 HydrophobicContact CD2-CD1 3.44Å; L1218-L1271 VanDerWaalsContact CD2-CD1 3.44Å; L1218-L1271 HydrophobicContact CG-CD1 3.88Å; E1220-L1271 CarbonylContact C-O 3.58Å; E1220-L1271 VanDerWaalsContact C-O 3.31Å; E1220-L1271 WeakPolarHBondContact CA-O 3.39Å; E1220-L1271 HydrophobicContact CB-CB 4.48Å; E1220-L1271 WeakPolarHBondContact CB-O 3.48Å; E1220-L1271 CarbonylContact O-C 3.57Å; E1220-L1271 WeakPolarHBondContact O-CB 3.23Å; E1220-L1271 VanDerWaalsContact O-O 3.08Å; A1222-L1271 HydrophobicContact CB-CD1 4.35Å; K1255-L1271 HydrophobicContact CB-CD2 3.97Å; K1255-L1271 HydrophobicContact CG-CD2 4.25Å; F1256-L1271 HydrophobicContact CE1-CD1 4.37Å; F1256-L1271 HydrophobicContact CE1-CD2 4.49Å; F1256-L1271 HydrophobicContact CE2-CD2 4.21Å; F1256-L1271 HydrophobicContact CZ-CD1 4.18Å; F1256-L1271 HydrophobicContact CZ-CD2 3.79Å; T1267-L1271 HydrophobicContact CG2-CD1 3.71Å; T1267-L1271 HydrophobicContact CG2-CG 4.24Å; D1269-L1271 PolarHBondContact O-N 2.93Å; L1271-Y1279 HydrophobicContact CD2-CE2 4Å; L1271-L1303 HydrophobicContact CB-CD1 4.07Å; L1271-L1303 HydrophobicContact CB-CD2 4.31Å; L1271-L1303 HydrophobicContact CD1-CD2 3.79Å; L1271-L1303 HydrophobicContact CD2-CD1 3.99Å; L1271-L1303 HydrophobicContact CD2-CD2 4.3Å; L1271-L1303 HydrophobicContact CG-CD2 4.36Å
1272D79.2Confident83.6Confident64.2 Ų64.257.5 Ų57.534%0.34330%0.298SS..  trans-156.4120.6-173166.8-26.2000107.3E1274 T1275 K1276 L1303D1272-E1274 VanDerWaalsContact C-N 3.33Å; D1272-E1274 WeakPolarHBondContact OD1-CA 3.5Å; D1272-E1274 WeakPolarHBondContact OD1-CB 3.32Å; D1272-E1274 PolarHBondContact OD1-N 2.93Å; D1272-E1274 VanDerWaalsContact OD1-N 3.08Å; D1272-T1275 WeakPolarHBondContact CB-OG1 3.23Å; D1272-T1275 PolarHBondContact O-N 2.92Å; D1272-T1275 VanDerWaalsContact O-N 3.14Å; D1272-T1275 PolarHBondContact O-OG1 3.02Å; D1272-T1275 VanDerWaalsContact O-OG1 3.1Å; D1272-T1275 VanDerWaalsContact OD1-CB 3.23Å; D1272-T1275 WeakPolarHBondContact OD1-CB 3.27Å; D1272-T1275 WeakPolarHBondContact OD1-CG2 3.29Å; D1272-T1275 PolarHBondContact OD1-N 3.11Å; D1272-T1275 PolarHBondContact OD1-OG1 3.2Å; D1272-T1275 VanDerWaalsContact OD1-OG1 3.13Å; D1272-T1275 WeakPolarHBondContact OD2-CB 2.88Å; D1272-T1275 VanDerWaalsContact OD2-CG2 3.26Å; D1272-T1275 WeakPolarHBondContact OD2-CG2 3.18Å; D1272-T1275 PolarHBondContact OD2-OG1 2.85Å; D1272-K1276 CarbonylContact O-C 3.46Å; D1272-K1276 PolarHBondContact O-N 3.07Å; D1272-K1276 VanDerWaalsContact O-N 3.12Å; D1272-L1303 WeakPolarHBondContact O-CD1 3.29Å
1273Y78.2Confident84Confident85 Ų8554.1 Ų54.133%0.33328%0.277SS..THydrogen-bonded Turntrans-77.4-37.8-174.3-180-95.5000112.5E1220 T1275 K1276 T1277 L1303 L1304 N1305E1220-Y1273 VanDerWaalsContact CD-CB 3.48Å; E1220-Y1273 WeakPolarHBondContact OE1-CB 3.1Å; E1220-Y1273 WeakPolarHBondContact OE2-CA 2.82Å; E1220-Y1273 VanDerWaalsContact OE2-CB 3.26Å; E1220-Y1273 WeakPolarHBondContact OE2-CB 3.25Å; E1220-Y1273 PolarHBondContact OE2-N 3.18Å; Y1273-T1275 PolarHBondContact O-N 3.06Å; Y1273-K1276 PolarHBondContact O-N 3.24Å; Y1273-K1276 VanDerWaalsContact O-N 3.13Å; Y1273-T1277 HydrophobicContact CD1-CG2 4.22Å; Y1273-T1277 HydrophobicContact CD2-CG2 4.18Å; Y1273-T1277 HydrophobicContact CE1-CG2 3.87Å; Y1273-T1277 HydrophobicContact CE2-CG2 4.02Å; Y1273-T1277 HydrophobicContact CG-CG2 4.17Å; Y1273-T1277 WeakPolarHBondContact O-CG2 3.45Å; Y1273-L1303 VanDerWaalsContact CD2-C 3.49Å; Y1273-L1303 HydrophobicContact CD2-CB 3.58Å; Y1273-L1303 HydrophobicContact CD2-CD1 4.18Å; Y1273-L1303 HydrophobicContact CD2-CG 4.27Å; Y1273-L1303 VanDerWaalsContact CE2-C 3.46Å; Y1273-L1303 HydrophobicContact CE2-CB 4.08Å; Y1273-L1303 WeakPolarHBondContact CE2-O 3.31Å; Y1273-L1303 HydrophobicContact CG-CB 3.79Å; Y1273-L1304 VanDerWaalsContact CD1-C 3.45Å; Y1273-N1305 HydrophobicContact CD1-CB 3.7Å; Y1273-N1305 VanDerWaalsContact CD1-CG 3.49Å; Y1273-N1305 WeakPolarHBondContact CD1-ND2 3.32Å; Y1273-N1305 WeakPolarHBondContact CD1-OD1 3.32Å; Y1273-N1305 HydrophobicContact CD2-CB 4.12Å; Y1273-N1305 HydrophobicContact CE1-CB 3.79Å; Y1273-N1305 VanDerWaalsContact CE1-CB 3.49Å; Y1273-N1305 WeakPolarHBondContact CE1-OD1 3.33Å; Y1273-N1305 HydrophobicContact CE2-CB 4.06Å; Y1273-N1305 HydrophobicContact CG-CB 3.81Å; Y1273-N1305 VanDerWaalsContact CG-CB 3.49Å
1274E74.6Confident84.2Confident114 Ų11454.5 Ų54.553%0.53328%0.28SS..THydrogen-bonded Turntrans-59.5-20.1173.8-8460.4-111.600112.3D1272 N1305 I1340D1272-E1274 VanDerWaalsContact C-N 3.33Å; D1272-E1274 WeakPolarHBondContact OD1-CA 3.5Å; D1272-E1274 WeakPolarHBondContact OD1-CB 3.32Å; D1272-E1274 PolarHBondContact OD1-N 2.93Å; D1272-E1274 VanDerWaalsContact OD1-N 3.08Å; E1274-N1305 PolarHBondContact OE1-ND2 3.01Å; E1274-N1305 PolarHBondContact OE1-OD1 2.91Å; E1274-N1305 PolarHBondContact OE2-ND2 2.99Å; E1274-I1340 HydrophobicContact CG-CG2 4.17Å
1275T73.6Confident84.2Confident105.2 Ų105.252 Ų5265%0.64527%0.267SS*.THydrogen-bonded Turntrans-106.8-46.6177.560.80000116.2D1272 Y1273D1272-T1275 WeakPolarHBondContact CB-OG1 3.23Å; D1272-T1275 PolarHBondContact O-N 2.92Å; D1272-T1275 VanDerWaalsContact O-N 3.14Å; D1272-T1275 PolarHBondContact O-OG1 3.02Å; D1272-T1275 VanDerWaalsContact O-OG1 3.1Å; D1272-T1275 VanDerWaalsContact OD1-CB 3.23Å; D1272-T1275 WeakPolarHBondContact OD1-CB 3.27Å; D1272-T1275 WeakPolarHBondContact OD1-CG2 3.29Å; D1272-T1275 PolarHBondContact OD1-N 3.11Å; D1272-T1275 PolarHBondContact OD1-OG1 3.2Å; D1272-T1275 VanDerWaalsContact OD1-OG1 3.13Å; D1272-T1275 WeakPolarHBondContact OD2-CB 2.88Å; D1272-T1275 VanDerWaalsContact OD2-CG2 3.26Å; D1272-T1275 WeakPolarHBondContact OD2-CG2 3.18Å; D1272-T1275 PolarHBondContact OD2-OG1 2.85Å; Y1273-T1275 PolarHBondContact O-N 3.06Å
1276K77.1Confident84.2Confident75.4 Ų75.453.4 Ų53.433%0.32828%0.275SS..  trans-151.2130.5-175.1-170.4171.5176.7163.40115.4E1253 D1272 Y1273 S1278 Y1279 L1303E1253-K1276 IonicContact OE1-NZ 2.78Å; E1253-K1276 PolarHBondContact OE1-NZ 3.2Å; E1253-K1276 VanDerWaalsContact OE2-CE 3.32Å; E1253-K1276 WeakPolarHBondContact OE2-CE 3.43Å; E1253-K1276 IonicContact OE2-NZ 3.39Å; E1253-K1276 PolarHBondContact OE2-NZ 2.93Å; D1272-K1276 CarbonylContact O-C 3.46Å; D1272-K1276 PolarHBondContact O-N 3.07Å; D1272-K1276 VanDerWaalsContact O-N 3.12Å; Y1273-K1276 PolarHBondContact O-N 3.24Å; Y1273-K1276 VanDerWaalsContact O-N 3.13Å; K1276-S1278 VanDerWaalsContact C-N 3.3Å; K1276-S1278 WeakPolarHBondContact CE-O 3.41Å; K1276-S1278 PolarHBondContact NZ-O 2.86Å; K1276-S1278 PolarHBondContact O-N 3.46Å; K1276-S1278 VanDerWaalsContact O-N 3.14Å; K1276-Y1279 HydrophobicContact CD-CD1 4.31Å; K1276-Y1279 HydrophobicContact CD-CE1 3.99Å; K1276-Y1279 HydrophobicContact CD-CE2 4.48Å; K1276-Y1279 VanDerWaalsContact CD-OH 3.31Å; K1276-Y1279 WeakPolarHBondContact CD-OH 3.36Å; K1276-Y1279 WeakPolarHBondContact CE-OH 3.37Å; K1276-Y1279 HydrophobicContact CG-CE2 4.5Å; K1276-Y1279 WeakPolarHBondContact CG-OH 3.3Å; K1276-L1303 WeakPolarHBondContact O-CD1 3.21Å
1277T80.9Confident84.2Confident71.2 Ų71.251.8 Ų51.844%0.43727%0.265SS..  trans-100.1-17.5-170.260.70000118.8Y1273 V1301 T1302 L1303Y1273-T1277 HydrophobicContact CD1-CG2 4.22Å; Y1273-T1277 HydrophobicContact CD2-CG2 4.18Å; Y1273-T1277 HydrophobicContact CE1-CG2 3.87Å; Y1273-T1277 HydrophobicContact CE2-CG2 4.02Å; Y1273-T1277 HydrophobicContact CG-CG2 4.17Å; Y1273-T1277 WeakPolarHBondContact O-CG2 3.45Å; T1277-V1301 CarbonylContact O-C 3.4Å; T1277-T1302 CarbonylContact O-C 3.51Å; T1277-T1302 VanDerWaalsContact O-CA 3.27Å; T1277-T1302 WeakPolarHBondContact O-CA 3.31Å; T1277-T1302 VanDerWaalsContact O-CB 3.31Å; T1277-T1302 WeakPolarHBondContact O-CB 3.33Å; T1277-T1302 PolarHBondContact O-N 2.92Å; T1277-L1303 HydrophobicContact CG2-CB 4.08Å; T1277-L1303 HydrophobicContact CG2-CD1 3.9Å; T1277-L1303 HydrophobicContact CG2-CG 4.13Å; T1277-L1303 PolarHBondContact O-N 2.89Å
1278S84.8Confident84Confident38.2 Ų38.252.9 Ų52.927%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-162.4161.1-174.160.80000117.7K1276 Y1300 V1301K1276-S1278 VanDerWaalsContact C-N 3.3Å; K1276-S1278 WeakPolarHBondContact CE-O 3.41Å; K1276-S1278 PolarHBondContact NZ-O 2.86Å; K1276-S1278 PolarHBondContact O-N 3.46Å; K1276-S1278 VanDerWaalsContact O-N 3.14Å; S1278-Y1300 VanDerWaalsContact CB-CE2 3.47Å; S1278-Y1300 VanDerWaalsContact CB-CZ 3.41Å; S1278-Y1300 WeakPolarHBondContact CB-OH 3.11Å; S1278-Y1300 VanDerWaalsContact OG-CE2 3.31Å; S1278-Y1300 WeakPolarHBondContact OG-CE2 3.31Å; S1278-Y1300 VanDerWaalsContact OG-CZ 3.28Å; S1278-Y1300 PolarHBondContact OG-OH 2.92Å; S1278-V1301 CarbonylContact C-O 3.56Å; S1278-V1301 VanDerWaalsContact CA-O 3.29Å; S1278-V1301 WeakPolarHBondContact CA-O 3.29Å; S1278-V1301 VanDerWaalsContact CB-O 3.28Å; S1278-V1301 WeakPolarHBondContact CB-O 3.35Å
1279Y86.5Confident83.7Confident18 Ų1850.9 Ų50.97%0.07127%0.267CS..EExtended strand (participates in β ladder)trans-144.2151.5-175.9-58.1-90.5000112.9E1253 K1255 F1256 L1271 K1276 Y1300 V1301 L1303E1253-Y1279 HydrophobicContact CB-CD1 4.36Å; E1253-Y1279 HydrophobicContact CB-CE1 4.45Å; K1255-Y1279 HydrophobicContact CB-CD1 4.46Å; K1255-Y1279 HydrophobicContact CB-CE1 4.15Å; K1255-Y1279 HydrophobicContact CG-CE1 3.96Å; F1256-Y1279 HydrophobicContact CD2-CD1 4.2Å; F1256-Y1279 HydrophobicContact CD2-CD2 4.34Å; F1256-Y1279 HydrophobicContact CD2-CE1 4.48Å; F1256-Y1279 AromaticContact CD2-CG 3.94Å; F1256-Y1279 HydrophobicContact CD2-CG 4.17Å; F1256-Y1279 AromaticContact CE2-CD1 3.73Å; F1256-Y1279 HydrophobicContact CE2-CD1 3.73Å; F1256-Y1279 AromaticContact CE2-CD2 3.53Å; F1256-Y1279 HydrophobicContact CE2-CD2 3.53Å; F1256-Y1279 VanDerWaalsContact CE2-CD2 3.49Å; F1256-Y1279 AromaticContact CE2-CE1 3.76Å; F1256-Y1279 HydrophobicContact CE2-CE1 4.07Å; F1256-Y1279 AromaticContact CE2-CE2 3.78Å; F1256-Y1279 HydrophobicContact CE2-CE2 3.9Å; F1256-Y1279 AromaticContact CE2-CG 3.45Å; F1256-Y1279 HydrophobicContact CE2-CG 3.45Å; F1256-Y1279 VanDerWaalsContact CE2-CG 3.44Å; F1256-Y1279 AromaticContact CE2-CZ 3.77Å; F1256-Y1279 AromaticContact CZ-CD2 3.86Å; F1256-Y1279 HydrophobicContact CZ-CD2 3.86Å; F1256-Y1279 AromaticContact CZ-CE2 3.77Å; F1256-Y1279 HydrophobicContact CZ-CE2 4.14Å; F1256-Y1279 HydrophobicContact CZ-CG 4.22Å; L1271-Y1279 HydrophobicContact CD2-CE2 4Å; K1276-Y1279 HydrophobicContact CD-CD1 4.31Å; K1276-Y1279 HydrophobicContact CD-CE1 3.99Å; K1276-Y1279 HydrophobicContact CD-CE2 4.48Å; K1276-Y1279 VanDerWaalsContact CD-OH 3.31Å; K1276-Y1279 WeakPolarHBondContact CD-OH 3.36Å; K1276-Y1279 WeakPolarHBondContact CE-OH 3.37Å; K1276-Y1279 HydrophobicContact CG-CE2 4.5Å; K1276-Y1279 WeakPolarHBondContact CG-OH 3.3Å; Y1279-Y1300 CarbonylContact O-C 3.52Å; Y1279-Y1300 VanDerWaalsContact O-CA 3.3Å; Y1279-Y1300 WeakPolarHBondContact O-CA 3.14Å; Y1279-Y1300 VanDerWaalsContact O-CD2 3.31Å; Y1279-Y1300 WeakPolarHBondContact O-CD2 3.34Å; Y1279-V1301 HydrophobicContact CD2-CB 4.33Å; Y1279-V1301 PolarHBondContact N-O 3Å; Y1279-V1301 VanDerWaalsContact N-O 3.07Å; Y1279-V1301 PolarHBondContact O-N 3.02Å; Y1279-L1303 HydrophobicContact CE2-CD1 4.34Å; Y1279-L1303 HydrophobicContact CE2-CD2 4.38Å; Y1279-L1303 HydrophobicContact CE2-CG 4.32Å
1280L88.7Confident83.4Confident96.8 Ų96.852.4 Ų52.451%0.50728%0.28SS..EExtended strand (participates in β ladder)trans-142.7121.4179.4176.769.3000112.2G1251 V1299 Y1300G1251-L1280 CarbonylContact C-O 3.52Å; G1251-L1280 VanDerWaalsContact CA-O 3.25Å; G1251-L1280 WeakPolarHBondContact CA-O 3.33Å; L1280-V1299 CarbonylContact C-O 3.52Å; L1280-V1299 WeakPolarHBondContact CA-O 3.27Å; L1280-V1299 WeakPolarHBondContact CB-O 3.31Å; L1280-V1299 WeakPolarHBondContact CD1-O 3.32Å; L1280-Y1300 HydrophobicContact CB-CD2 4.05Å; L1280-Y1300 HydrophobicContact CD1-CD2 3.85Å; L1280-Y1300 HydrophobicContact CD1-CE2 4.45Å; L1280-Y1300 HydrophobicContact CD1-CG 4.27Å; L1280-Y1300 HydrophobicContact CG-CD2 4.38Å
1281M89.8Confident83.2Confident1.2 Ų1.249.3 Ų49.31%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-115.4156.8-176.2-63.9165.3-88.800114I1248 S1250 A1252 F1256 I1265 S1298 V1299 V1301I1248-M1281 HydrophobicContact CD1-SD 3.98Å; I1248-M1281 HydrophobicContact CG2-CB 4.36Å; I1248-M1281 HydrophobicContact CG2-CG 4.45Å; S1250-M1281 CarbonylContact O-C 3.4Å; S1250-M1281 VanDerWaalsContact O-CA 3.24Å; S1250-M1281 WeakPolarHBondContact O-CA 3.38Å; S1250-M1281 WeakPolarHBondContact O-CB 3.44Å; A1252-M1281 HydrophobicContact CB-CG 4.2Å; A1252-M1281 HydrophobicContact CB-SD 4Å; F1256-M1281 HydrophobicContact CB-CE 4.25Å; F1256-M1281 HydrophobicContact CB-CG 4.42Å; F1256-M1281 HydrophobicContact CB-SD 3.67Å; F1256-M1281 VanDerWaalsContact CB-SD 3.58Å; F1256-M1281 WeakPolarHBondContact CB-SD 3.45Å; F1256-M1281 HydrophobicContact CD1-CE 4.12Å; F1256-M1281 VanDerWaalsContact CD1-CE 3.47Å; F1256-M1281 HydrophobicContact CD1-SD 3.79Å; F1256-M1281 HydrophobicContact CD2-CE 3.84Å; F1256-M1281 HydrophobicContact CD2-CG 4.37Å; F1256-M1281 HydrophobicContact CD2-SD 3.93Å; F1256-M1281 VanDerWaalsContact CD2-SD 3.56Å; F1256-M1281 HydrophobicContact CE1-CE 3.57Å; F1256-M1281 HydrophobicContact CE1-SD 4.49Å; F1256-M1281 HydrophobicContact CE2-CE 3.8Å; F1256-M1281 HydrophobicContact CE2-SD 4.31Å; F1256-M1281 HydrophobicContact CG-CE 3.94Å; F1256-M1281 HydrophobicContact CG-SD 3.91Å; F1256-M1281 WeakPolarHBondContact CG-SD 3.34Å; F1256-M1281 HydrophobicContact CZ-CE 3.53Å; I1265-M1281 HydrophobicContact CD1-CE 4.37Å; I1265-M1281 HydrophobicContact CD1-SD 4.21Å; I1265-M1281 HydrophobicContact CG2-CE 4.16Å; I1265-M1281 HydrophobicContact CG2-SD 4.27Å; M1281-S1298 CarbonylContact O-C 3.54Å; M1281-S1298 VanDerWaalsContact O-CA 3.29Å; M1281-S1298 WeakPolarHBondContact O-CA 3.3Å; M1281-S1298 VanDerWaalsContact O-CB 3.24Å; M1281-S1298 WeakPolarHBondContact O-CB 3.06Å; M1281-V1299 HydrophobicContact CB-CB 4.27Å; M1281-V1299 HydrophobicContact CB-CG2 3.99Å; M1281-V1299 HydrophobicContact CE-CB 4.15Å; M1281-V1299 HydrophobicContact CE-CG1 3.88Å; M1281-V1299 HydrophobicContact CE-CG2 3.52Å; M1281-V1299 PolarHBondContact N-O 3.16Å; M1281-V1299 PolarHBondContact O-N 3.09Å; M1281-V1299 HydrophobicContact SD-CG2 3.96Å; M1281-V1301 HydrophobicContact CE-CG2 3.62Å
1282N89.1Confident83.3Confident73.6 Ų73.653.9 Ų53.939%0.39430%0.298SS..EExtended strand (participates in β ladder)trans-118.4143.3170.3-74-27.2000111.8I1248 L1249 S1250 C1297I1248-N1282 CarbonylContact C-O 3.52Å; I1248-N1282 VanDerWaalsContact CA-O 3.26Å; I1248-N1282 WeakPolarHBondContact CA-O 3.31Å; I1248-N1282 WeakPolarHBondContact CG1-O 3.33Å; L1249-N1282 HydrophobicContact CB-CB 4.3Å; L1249-N1282 PolarHBondContact N-O 3.03Å; S1250-N1282 PolarHBondContact N-O 3.3Å; S1250-N1282 PolarHBondContact O-N 2.96Å; S1250-N1282 WeakPolarHBondContact OG-CB 3.27Å; S1250-N1282 PolarHBondContact OG-ND2 3.12Å; S1250-N1282 VanDerWaalsContact OG-ND2 3.07Å; N1282-C1297 CarbonylContact C-O 3.55Å; N1282-C1297 VanDerWaalsContact C-O 3.3Å; N1282-C1297 WeakPolarHBondContact CA-O 3.4Å
1283V91.3Very high83.5Confident1.2 Ų1.252.9 Ų52.91%0.00729%0.293CS..EExtended strand (participates in β ladder)trans-138147.9-173.1-171.20000112.4F1208 V1231 R1247 I1248 I1258 I1265 F1296 C1297 V1299F1208-V1283 HydrophobicContact CE1-CG1 4.28Å; F1208-V1283 HydrophobicContact CZ-CB 4.48Å; F1208-V1283 HydrophobicContact CZ-CG1 4.19Å; V1231-V1283 HydrophobicContact CG2-CG1 4.05Å; R1247-V1283 CarbonylContact O-C 3.52Å; R1247-V1283 VanDerWaalsContact O-C 3.26Å; R1247-V1283 VanDerWaalsContact O-CA 3.28Å; R1247-V1283 WeakPolarHBondContact O-CA 3.22Å; R1247-V1283 VanDerWaalsContact O-CG1 3.23Å; R1247-V1283 WeakPolarHBondContact O-CG1 3.46Å; I1248-V1283 HydrophobicContact CG1-CG2 4Å; I1258-V1283 HydrophobicContact CD1-CG1 3.71Å; I1258-V1283 HydrophobicContact CD1-CG2 4.04Å; I1265-V1283 HydrophobicContact CD1-CG2 4.31Å; V1283-F1296 CarbonylContact O-C 3.46Å; V1283-F1296 WeakPolarHBondContact O-CA 3.28Å; V1283-F1296 WeakPolarHBondContact O-CB 3.43Å; V1283-F1296 VanDerWaalsContact O-CD1 3.26Å; V1283-F1296 WeakPolarHBondContact O-CD1 3.38Å; V1283-C1297 HydrophobicContact CB-CB 3.83Å; V1283-C1297 WeakPolarHBondContact CB-SG 3.24Å; V1283-C1297 HydrophobicContact CG2-CB 4.3Å; V1283-C1297 WeakPolarHBondContact CG2-SG 3.29Å; V1283-C1297 PolarHBondContact N-O 2.86Å; V1283-C1297 PolarHBondContact O-N 3.03Å; V1283-C1297 VanDerWaalsContact O-O 3.11Å; V1283-V1299 HydrophobicContact CG2-CG2 3.86Å
1284S91.3Very high83.9Confident7.8 Ų7.854.1 Ų54.16%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-123.3155.9175.9600000114.1F1208 Y1246 R1247 G1295F1208-S1284 VanDerWaalsContact CE2-C 3.43Å; F1208-S1284 VanDerWaalsContact CZ-C 3.45Å; F1208-S1284 WeakPolarHBondContact CZ-O 3.32Å; Y1246-S1284 CarbonylContact C-O 3.51Å; Y1246-S1284 VanDerWaalsContact CA-O 3.28Å; Y1246-S1284 WeakPolarHBondContact CA-O 3.4Å; R1247-S1284 WeakPolarHBondContact CB-OG 3.37Å; R1247-S1284 PolarHBondContact N-O 3.2Å; R1247-S1284 PolarHBondContact O-N 2.97Å; R1247-S1284 PolarHBondContact O-OG 2.96Å; S1284-G1295 CarbonylContact C-O 3.49Å; S1284-G1295 VanDerWaalsContact CA-O 3.28Å; S1284-G1295 WeakPolarHBondContact CA-O 3.3Å; S1284-G1295 WeakPolarHBondContact CB-O 3.5Å
1285A89.9Confident84.4Confident0.6 Ų0.649.2 Ų49.21%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-128.9143.717300000110.5P1206 F1208 A1233 V1244 N1245 Y1246 Q1294 G1295P1206-A1285 HydrophobicContact CB-CB 4.04Å; F1208-A1285 HydrophobicContact CD2-CB 4.18Å; F1208-A1285 HydrophobicContact CE1-CB 4.23Å; F1208-A1285 HydrophobicContact CE2-CB 3.42Å; F1208-A1285 VanDerWaalsContact CE2-CB 3.44Å; F1208-A1285 HydrophobicContact CZ-CB 3.51Å; F1208-A1285 VanDerWaalsContact CZ-CB 3.46Å; A1233-A1285 HydrophobicContact CB-CB 3.67Å; V1244-A1285 HydrophobicContact CG1-CB 3.61Å; N1245-A1285 CarbonylContact O-C 3.45Å; N1245-A1285 VanDerWaalsContact O-CA 3.28Å; N1245-A1285 WeakPolarHBondContact O-CA 3.33Å; N1245-A1285 WeakPolarHBondContact O-CB 3.3Å; Y1246-A1285 HydrophobicContact CD1-CB 4.27Å; Y1246-A1285 HydrophobicContact CE1-CB 4.31Å; A1285-Q1294 CarbonylContact O-C 3.55Å; A1285-Q1294 VanDerWaalsContact O-CA 3.26Å; A1285-Q1294 WeakPolarHBondContact O-CA 3.32Å; A1285-Q1294 WeakPolarHBondContact O-CB 3.23Å; A1285-Q1294 WeakPolarHBondContact O-CG 3.34Å; A1285-G1295 PolarHBondContact N-O 3.01Å; A1285-G1295 PolarHBondContact O-N 3.09Å
1286T88.5Confident85Confident30.4 Ų30.449.8 Ų49.819%0.18728%0.276CS..EExtended strand (participates in β ladder)trans-139.5140.9-178.4-46.80000111.5V1244 N1245 F1292 N1293 Q1294V1244-T1286 CarbonylContact C-O 3.39Å; V1244-T1286 VanDerWaalsContact CA-O 3.26Å; V1244-T1286 WeakPolarHBondContact CA-O 3.33Å; N1245-T1286 PolarHBondContact N-O 3.13Å; N1245-T1286 PolarHBondContact ND2-O 2.88Å; N1245-T1286 PolarHBondContact O-N 3Å; T1286-F1292 HydrophobicContact CG2-CB 4.1Å; T1286-N1293 CarbonylContact C-O 3.32Å; T1286-N1293 VanDerWaalsContact CA-O 3.27Å; T1286-N1293 WeakPolarHBondContact CA-O 3.34Å; T1286-Q1294 HydrophobicContact CG2-CG 3.77Å; T1286-Q1294 WeakPolarHBondContact OG1-CG 3.08Å; T1286-Q1294 PolarHBondContact OG1-NE2 3.19Å; T1286-Q1294 VanDerWaalsContact OG1-NE2 3.09Å
1287D87.3Confident85.6Confident5.8 Ų5.846.6 Ų46.63%0.03126%0.263CS..  trans-77.6178174.273.950.4000113.7N1202 P1206 G1241 L1243 A1289 F1292 N1293N1202-D1287 VanDerWaalsContact ND2-CG 3.35Å; N1202-D1287 PolarHBondContact ND2-OD1 2.82Å; N1202-D1287 PolarHBondContact ND2-OD2 2.96Å; P1206-D1287 HydrophobicContact CB-CB 4.4Å; P1206-D1287 WeakPolarHBondContact CD-OD2 3.38Å; P1206-D1287 HydrophobicContact CG-CB 4.02Å; G1241-D1287 VanDerWaalsContact O-CB 3.26Å; G1241-D1287 WeakPolarHBondContact O-CB 3.32Å; L1243-D1287 CarbonylContact O-C 3.49Å; L1243-D1287 VanDerWaalsContact O-C 3.28Å; L1243-D1287 VanDerWaalsContact O-CA 3.26Å; L1243-D1287 WeakPolarHBondContact O-CA 3.3Å; L1243-D1287 VanDerWaalsContact O-CB 3.25Å; L1243-D1287 WeakPolarHBondContact O-CB 3.46Å; D1287-A1289 PolarHBondContact OD1-N 3.19Å; D1287-A1289 VanDerWaalsContact OD1-N 3.12Å; D1287-F1292 VanDerWaalsContact OD1-CA 3.3Å; D1287-F1292 WeakPolarHBondContact OD1-CA 3.32Å; D1287-F1292 PolarHBondContact OD1-N 3.22Å; D1287-N1293 VanDerWaalsContact CG-N 3.31Å; D1287-N1293 PolarHBondContact N-O 3Å; D1287-N1293 VanDerWaalsContact N-O 3.09Å; D1287-N1293 PolarHBondContact OD1-N 3.18Å; D1287-N1293 VanDerWaalsContact OD2-C 3.31Å; D1287-N1293 VanDerWaalsContact OD2-CA 3.31Å; D1287-N1293 WeakPolarHBondContact OD2-CA 3.37Å; D1287-N1293 WeakPolarHBondContact OD2-CB 3.34Å; D1287-N1293 PolarHBondContact OD2-N 2.91Å; D1287-N1293 PolarHBondContact OD2-ND2 3.16Å
1288G82.3Confident85.8Confident26.8 Ų26.844.4 Ų44.428%0.27625%0.25SS..SBendtrans-103.7-2.7-174.900000116.6D1240 L1243 F1292D1240-G1288 CarbonylContact O-C 3.52Å; D1240-G1288 VanDerWaalsContact O-C 3.31Å; D1240-G1288 WeakPolarHBondContact O-CA 3.34Å; D1240-G1288 PolarHBondContact O-N 2.92Å; L1243-G1288 PolarHBondContact O-N 3.13Å; L1243-G1288 VanDerWaalsContact O-N 3.16Å; G1288-F1292 WeakPolarHBondContact O-CE1 3.37Å
1289A77.8Confident86Confident14.8 Ų14.842.7 Ų42.712%0.12224%0.238CC..SBendtrans-123.6146.7-174.800000112.5N1202 D1240 D1287 F1292N1202-A1289 HydrophobicContact CB-CB 4.11Å; N1202-A1289 PolarHBondContact ND2-O 3.34Å; D1240-A1289 HydrophobicContact CB-CB 4.21Å; D1240-A1289 PolarHBondContact O-N 3.04Å; D1287-A1289 PolarHBondContact OD1-N 3.19Å; D1287-A1289 VanDerWaalsContact OD1-N 3.12Å; A1289-F1292 WeakPolarHBondContact O-CA 3.32Å; A1289-F1292 VanDerWaalsContact O-CD1 3.31Å; A1289-F1292 WeakPolarHBondContact O-CD1 3.24Å; A1289-F1292 PolarHBondContact O-N 2.99Å
1290P76.2Confident86.1Confident99.6 Ų99.645.8 Ų45.865%0.64725%0.251SS*.THydrogen-bonded Turntrans-57128.7174-21.332.1000110.6N1202 F1292N1202-P1290 PolarHBondContact ND2-O 3.26Å; P1290-F1292 HydrophobicContact CB-CE2 4.16Å; P1290-F1292 HydrophobicContact CB-CZ 4.44Å; P1290-F1292 HydrophobicContact CG-CE1 4.5Å; P1290-F1292 HydrophobicContact CG-CE2 3.88Å; P1290-F1292 HydrophobicContact CG-CZ 3.83Å
1291P78.1Confident86Confident89 Ų8941.3 Ų41.358%0.57823%0.227SC*.THydrogen-bonded Turncis-91.56.722.135.5-37.6000117.9N1202 N1293N1202-P1291 WeakPolarHBondContact ND2-CD 3.34Å; P1291-N1293 WeakPolarHBondContact CG-OD1 3.35Å
1292F83.1Confident85.6Confident112.4 Ų112.443.1 Ų43.149%0.49324%0.238SC..  trans6665.7-178.5-50-74000113.4T1286 D1287 G1288 A1289 P1290 Q1294T1286-F1292 HydrophobicContact CG2-CB 4.1Å; D1287-F1292 VanDerWaalsContact OD1-CA 3.3Å; D1287-F1292 WeakPolarHBondContact OD1-CA 3.32Å; D1287-F1292 PolarHBondContact OD1-N 3.22Å; G1288-F1292 WeakPolarHBondContact O-CE1 3.37Å; A1289-F1292 WeakPolarHBondContact O-CA 3.32Å; A1289-F1292 VanDerWaalsContact O-CD1 3.31Å; A1289-F1292 WeakPolarHBondContact O-CD1 3.24Å; A1289-F1292 PolarHBondContact O-N 2.99Å; P1290-F1292 HydrophobicContact CB-CE2 4.16Å; P1290-F1292 HydrophobicContact CB-CZ 4.44Å; P1290-F1292 HydrophobicContact CG-CE1 4.5Å; P1290-F1292 HydrophobicContact CG-CE2 3.88Å; P1290-F1292 HydrophobicContact CG-CZ 3.83Å; F1292-Q1294 WeakPolarHBondContact O-CG 3.38Å
1293N83.5Confident85.3Confident44.4 Ų44.440.5 Ų40.524%0.23722%0.224CC..  trans-70.7155.5-178.3-56.1-59000112.2N1202 E1204 A1205 P1206 T1286 D1287 P1291N1202-N1293 PolarHBondContact ND2-ND2 3.21Å; E1204-N1293 PolarHBondContact O-ND2 3.02Å; E1204-N1293 VanDerWaalsContact O-ND2 3.08Å; A1205-N1293 HydrophobicContact CB-CB 3.59Å; A1205-N1293 VanDerWaalsContact CB-CB 3.46Å; P1206-N1293 WeakPolarHBondContact CD-O 3.19Å; T1286-N1293 CarbonylContact C-O 3.32Å; T1286-N1293 VanDerWaalsContact CA-O 3.27Å; T1286-N1293 WeakPolarHBondContact CA-O 3.34Å; D1287-N1293 VanDerWaalsContact CG-N 3.31Å; D1287-N1293 PolarHBondContact N-O 3Å; D1287-N1293 VanDerWaalsContact N-O 3.09Å; D1287-N1293 PolarHBondContact OD1-N 3.18Å; D1287-N1293 VanDerWaalsContact OD2-C 3.31Å; D1287-N1293 VanDerWaalsContact OD2-CA 3.31Å; D1287-N1293 WeakPolarHBondContact OD2-CA 3.37Å; D1287-N1293 WeakPolarHBondContact OD2-CB 3.34Å; D1287-N1293 PolarHBondContact OD2-N 2.91Å; D1287-N1293 PolarHBondContact OD2-ND2 3.16Å; P1291-N1293 WeakPolarHBondContact CG-OD1 3.35Å
1294Q86.3Confident84.4Confident109.2 Ų109.245 Ų4551%0.5125%0.248SC..EExtended strand (participates in β ladder)trans-139.1143.4-169.2-65.2-166.2-28.100115.3A1285 T1286 F1292 F1296A1285-Q1294 CarbonylContact O-C 3.55Å; A1285-Q1294 VanDerWaalsContact O-CA 3.26Å; A1285-Q1294 WeakPolarHBondContact O-CA 3.32Å; A1285-Q1294 WeakPolarHBondContact O-CB 3.23Å; A1285-Q1294 WeakPolarHBondContact O-CG 3.34Å; T1286-Q1294 HydrophobicContact CG2-CG 3.77Å; T1286-Q1294 WeakPolarHBondContact OG1-CG 3.08Å; T1286-Q1294 PolarHBondContact OG1-NE2 3.19Å; T1286-Q1294 VanDerWaalsContact OG1-NE2 3.09Å; F1292-Q1294 WeakPolarHBondContact O-CG 3.38Å; Q1294-F1296 HydrophobicContact CB-CE2 4.32Å; Q1294-F1296 HydrophobicContact CB-CZ 4.19Å
1295G85.6Confident83.3Confident11.4 Ų11.447.7 Ų47.712%0.11826%0.262CS..EExtended strand (participates in β ladder)trans-123.3166.4171.300000114P1206 F1208 S1284 A1285P1206-G1295 VanDerWaalsContact O-CA 3.27Å; P1206-G1295 WeakPolarHBondContact O-CA 3.22Å; F1208-G1295 VanDerWaalsContact CE2-C 3.47Å; F1208-G1295 WeakPolarHBondContact CE2-O 3.22Å; S1284-G1295 CarbonylContact C-O 3.49Å; S1284-G1295 VanDerWaalsContact CA-O 3.28Å; S1284-G1295 WeakPolarHBondContact CA-O 3.3Å; S1284-G1295 WeakPolarHBondContact CB-O 3.5Å; A1285-G1295 PolarHBondContact N-O 3.01Å; A1285-G1295 PolarHBondContact O-N 3.09Å
1296F87.5Confident82Confident117 Ų11751 Ų5151%0.51328%0.277SS..EExtended strand (participates in β ladder)trans-142.8151.4-174.1-57-85.3000114.6F1208 L1249 V1283 Q1294F1208-F1296 VanDerWaalsContact CD2-C 3.43Å; F1208-F1296 VanDerWaalsContact CD2-N 3.26Å; L1249-F1296 HydrophobicContact CD1-CD1 3.98Å; L1249-F1296 HydrophobicContact CD1-CE1 4.08Å; V1283-F1296 CarbonylContact O-C 3.46Å; V1283-F1296 WeakPolarHBondContact O-CA 3.28Å; V1283-F1296 WeakPolarHBondContact O-CB 3.43Å; V1283-F1296 VanDerWaalsContact O-CD1 3.26Å; V1283-F1296 WeakPolarHBondContact O-CD1 3.38Å; Q1294-F1296 HydrophobicContact CB-CE2 4.32Å; Q1294-F1296 HydrophobicContact CB-CZ 4.19Å
1297C88.6Confident80.7Confident9.4 Ų9.453.6 Ų53.66%0.06429%0.289CS..EExtended strand (participates in β ladder)trans-150.80174.381.40000114.2F1208 Q1210 Q1211 Y1213 N1282 V1283F1208-C1297 HydrophobicContact CB-CB 4.03Å; F1208-C1297 HydrophobicContact CD1-CB 4.17Å; F1208-C1297 VanDerWaalsContact CD1-SG 3.55Å; F1208-C1297 WeakPolarHBondContact CD1-SG 3.41Å; F1208-C1297 HydrophobicContact CD2-CB 3.93Å; F1208-C1297 HydrophobicContact CE1-CB 4.46Å; F1208-C1297 VanDerWaalsContact CE1-SG 3.52Å; F1208-C1297 WeakPolarHBondContact CE1-SG 3.24Å; F1208-C1297 HydrophobicContact CE2-CB 4.2Å; F1208-C1297 HydrophobicContact CG-CB 3.87Å; F1208-C1297 HydrophobicContact CZ-CB 4.49Å; F1208-C1297 VanDerWaalsContact CZ-SG 3.58Å; Q1210-C1297 VanDerWaalsContact O-CB 3.26Å; Q1210-C1297 WeakPolarHBondContact O-CB 3.21Å; Q1211-C1297 CarbonylContact O-C 3.51Å; Q1211-C1297 VanDerWaalsContact O-C 3.32Å; Q1211-C1297 WeakPolarHBondContact O-CA 3.34Å; Q1211-C1297 WeakPolarHBondContact O-CB 3.33Å; Q1211-C1297 PolarHBondContact O-SG 3.05Å; Y1213-C1297 HydrophobicContact CD2-CB 4.24Å; Y1213-C1297 WeakPolarHBondContact CD2-SG 3.12Å; Y1213-C1297 HydrophobicContact CE2-CB 3.98Å; Y1213-C1297 WeakPolarHBondContact CE2-SG 3.32Å; N1282-C1297 CarbonylContact C-O 3.55Å; N1282-C1297 VanDerWaalsContact C-O 3.3Å; N1282-C1297 WeakPolarHBondContact CA-O 3.4Å; V1283-C1297 HydrophobicContact CB-CB 3.83Å; V1283-C1297 WeakPolarHBondContact CB-SG 3.24Å; V1283-C1297 HydrophobicContact CG2-CB 4.3Å; V1283-C1297 WeakPolarHBondContact CG2-SG 3.29Å; V1283-C1297 PolarHBondContact N-O 2.86Å; V1283-C1297 PolarHBondContact O-N 3.03Å; V1283-C1297 VanDerWaalsContact O-O 3.11Å
1298S86.4Confident79.4Confident24.6 Ų24.657.6 Ų57.617%0.17231%0.311CS..EExtended strand (participates in β ladder)000440000115.9Q1211 Q1212 Y1213 M1281Q1211-S1298 PolarHBondContact O-N 2.93Å; Q1211-S1298 VanDerWaalsContact O-N 3.08Å; Q1211-S1298 PolarHBondContact O-OG 2.83Å; Q1212-S1298 CarbonylContact C-O 3.46Å; Q1212-S1298 VanDerWaalsContact CA-O 3.27Å; Q1212-S1298 WeakPolarHBondContact CA-O 3.37Å; Q1212-S1298 VanDerWaalsContact CB-OG 3.31Å; Q1212-S1298 WeakPolarHBondContact CB-OG 3.24Å; Q1212-S1298 WeakPolarHBondContact CG-O 3.33Å; Q1212-S1298 VanDerWaalsContact CG-OG 3.28Å; Q1212-S1298 WeakPolarHBondContact CG-OG 3.4Å; Y1213-S1298 PolarHBondContact N-O 2.91Å; M1281-S1298 CarbonylContact O-C 3.54Å; M1281-S1298 VanDerWaalsContact O-CA 3.29Å; M1281-S1298 WeakPolarHBondContact O-CA 3.3Å; M1281-S1298 VanDerWaalsContact O-CB 3.24Å; M1281-S1298 WeakPolarHBondContact O-CB 3.06Å
1299V89.2Confident78.3Confident1.8 Ų1.861.5 Ų61.51%0.01132%0.321CS..EExtended strand (participates in β ladder)000-174.20000114.5Q1212 Y1213 N1214 I1229 V1231 I1265 L1280 M1281 V1283 V1301Q1212-V1299 VanDerWaalsContact NE2-C 3.29Å; Q1212-V1299 PolarHBondContact NE2-O 3.19Å; Q1212-V1299 VanDerWaalsContact NE2-O 3.09Å; Y1213-V1299 HydrophobicContact CD2-CG2 4.49Å; Y1213-V1299 CarbonylContact O-C 3.56Å; Y1213-V1299 VanDerWaalsContact O-CA 3.22Å; Y1213-V1299 WeakPolarHBondContact O-CA 3.32Å; Y1213-V1299 WeakPolarHBondContact O-CG1 3.4Å; Y1213-V1299 WeakPolarHBondContact O-CG2 3.36Å; N1214-V1299 WeakPolarHBondContact OD1-CA 3.46Å; I1229-V1299 HydrophobicContact CB-CG1 4.23Å; I1229-V1299 HydrophobicContact CG2-CB 4.31Å; I1229-V1299 HydrophobicContact CG2-CG1 3.52Å; I1229-V1299 VanDerWaalsContact CG2-CG1 3.48Å; I1229-V1299 HydrophobicContact CG2-CG2 3.79Å; V1231-V1299 HydrophobicContact CG1-CG2 3.72Å; V1231-V1299 VanDerWaalsContact CG1-CG2 3.43Å; I1265-V1299 HydrophobicContact CD1-CB 4.23Å; I1265-V1299 HydrophobicContact CD1-CG1 4.09Å; I1265-V1299 HydrophobicContact CD1-CG2 3.81Å; L1280-V1299 CarbonylContact C-O 3.52Å; L1280-V1299 WeakPolarHBondContact CA-O 3.27Å; L1280-V1299 WeakPolarHBondContact CB-O 3.31Å; L1280-V1299 WeakPolarHBondContact CD1-O 3.32Å; M1281-V1299 HydrophobicContact CB-CB 4.27Å; M1281-V1299 HydrophobicContact CB-CG2 3.99Å; M1281-V1299 HydrophobicContact CE-CB 4.15Å; M1281-V1299 HydrophobicContact CE-CG1 3.88Å; M1281-V1299 HydrophobicContact CE-CG2 3.52Å; M1281-V1299 PolarHBondContact N-O 3.16Å; M1281-V1299 PolarHBondContact O-N 3.09Å; M1281-V1299 HydrophobicContact SD-CG2 3.96Å; V1283-V1299 HydrophobicContact CG2-CG2 3.86Å; V1299-V1301 HydrophobicContact CG1-CG2 4.33Å
1300Y86.6Confident77.2Confident84.2 Ų84.263 Ų6333%0.3333%0.334SS..EExtended strand (participates in β ladder)000-171-118.4000115.3Y1213 N1214 R1215 L1216 S1278 Y1279 L1280 T1302Y1213-Y1300 PolarHBondContact O-N 2.86Å; N1214-Y1300 CarbonylContact C-O 3.56Å; N1214-Y1300 VanDerWaalsContact CA-O 3.25Å; N1214-Y1300 WeakPolarHBondContact CA-O 3.29Å; N1214-Y1300 WeakPolarHBondContact OD1-CB 3.43Å; N1214-Y1300 PolarHBondContact OD1-N 2.89Å; R1215-Y1300 CarbonylContact C-O 3.32Å; R1215-Y1300 WeakPolarHBondContact CA-O 3.39Å; R1215-Y1300 VanDerWaalsContact CB-O 3.29Å; R1215-Y1300 WeakPolarHBondContact CB-O 3.28Å; R1215-Y1300 PolarHBondContact N-O 3.21Å; R1215-Y1300 CarbonylContact O-C 3.57Å; L1216-Y1300 VanDerWaalsContact CD2-C 3.49Å; L1216-Y1300 HydrophobicContact CD2-CD1 4.13Å; L1216-Y1300 HydrophobicContact CD2-CE1 4.21Å; L1216-Y1300 HydrophobicContact CD2-CG 4.5Å; L1216-Y1300 WeakPolarHBondContact CD2-O 3.21Å; S1278-Y1300 VanDerWaalsContact CB-CE2 3.47Å; S1278-Y1300 VanDerWaalsContact CB-CZ 3.41Å; S1278-Y1300 WeakPolarHBondContact CB-OH 3.11Å; S1278-Y1300 VanDerWaalsContact OG-CE2 3.31Å; S1278-Y1300 WeakPolarHBondContact OG-CE2 3.31Å; S1278-Y1300 VanDerWaalsContact OG-CZ 3.28Å; S1278-Y1300 PolarHBondContact OG-OH 2.92Å; Y1279-Y1300 CarbonylContact O-C 3.52Å; Y1279-Y1300 VanDerWaalsContact O-CA 3.3Å; Y1279-Y1300 WeakPolarHBondContact O-CA 3.14Å; Y1279-Y1300 VanDerWaalsContact O-CD2 3.31Å; Y1279-Y1300 WeakPolarHBondContact O-CD2 3.34Å; L1280-Y1300 HydrophobicContact CB-CD2 4.05Å; L1280-Y1300 HydrophobicContact CD1-CD2 3.85Å; L1280-Y1300 HydrophobicContact CD1-CE2 4.45Å; L1280-Y1300 HydrophobicContact CD1-CG 4.27Å; L1280-Y1300 HydrophobicContact CG-CD2 4.38Å; Y1300-T1302 HydrophobicContact CD1-CG2 4.24Å; Y1300-T1302 HydrophobicContact CE1-CG2 3.49Å; Y1300-T1302 VanDerWaalsContact CE1-CG2 3.49Å
1301V86.8Confident76.8Confident2.8 Ų2.859.6 Ų59.62%0.01731%0.312CS..EExtended strand (participates in β ladder)000-162.60000114.1R1215 L1216 L1218 V1228 F1256 T1277 S1278 Y1279 M1281 V1299R1215-V1301 HydrophobicContact CB-CB 4.37Å; R1215-V1301 HydrophobicContact CB-CG1 4.32Å; R1215-V1301 HydrophobicContact CB-CG2 4.24Å; R1215-V1301 HydrophobicContact CG-CG1 4.27Å; R1215-V1301 CarbonylContact O-C 3.52Å; R1215-V1301 VanDerWaalsContact O-CA 3.28Å; R1215-V1301 WeakPolarHBondContact O-CA 3.37Å; R1215-V1301 WeakPolarHBondContact O-CG1 3.36Å; L1216-V1301 VanDerWaalsContact CD2-CA 3.41Å; L1216-V1301 VanDerWaalsContact CD2-N 3.29Å; L1218-V1301 HydrophobicContact CB-CG1 3.95Å; L1218-V1301 HydrophobicContact CD2-CG1 3.96Å; V1228-V1301 HydrophobicContact CG1-CB 4.33Å; V1228-V1301 HydrophobicContact CG1-CG1 4.17Å; V1228-V1301 HydrophobicContact CG1-CG2 3.85Å; F1256-V1301 HydrophobicContact CE1-CG1 4.24Å; F1256-V1301 HydrophobicContact CE1-CG2 4.13Å; F1256-V1301 HydrophobicContact CE2-CG2 4.45Å; F1256-V1301 HydrophobicContact CZ-CB 4.38Å; F1256-V1301 HydrophobicContact CZ-CG1 4.28Å; F1256-V1301 HydrophobicContact CZ-CG2 4.14Å; T1277-V1301 CarbonylContact O-C 3.4Å; S1278-V1301 CarbonylContact C-O 3.56Å; S1278-V1301 VanDerWaalsContact CA-O 3.29Å; S1278-V1301 WeakPolarHBondContact CA-O 3.29Å; S1278-V1301 VanDerWaalsContact CB-O 3.28Å; S1278-V1301 WeakPolarHBondContact CB-O 3.35Å; Y1279-V1301 HydrophobicContact CD2-CB 4.33Å; Y1279-V1301 PolarHBondContact N-O 3Å; Y1279-V1301 VanDerWaalsContact N-O 3.07Å; Y1279-V1301 PolarHBondContact O-N 3.02Å; M1281-V1301 HydrophobicContact CE-CG2 3.62Å; V1299-V1301 HydrophobicContact CG1-CG2 4.33Å
1302T81.7Confident76.2Confident38.8 Ų38.860.7 Ų60.724%0.23831%0.309CS..EExtended strand (participates in β ladder)00065.80000114.6R1215 L1216 G1217 L1218 T1277 Y1300R1215-T1302 PolarHBondContact O-N 3.02Å; L1216-T1302 VanDerWaalsContact CA-OG1 3.3Å; L1216-T1302 WeakPolarHBondContact CA-OG1 3.28Å; L1216-T1302 HydrophobicContact CD2-CG2 3.88Å; G1217-T1302 CarbonylContact C-O 3.3Å; G1217-T1302 WeakPolarHBondContact CA-O 3.32Å; G1217-T1302 PolarHBondContact N-O 2.95Å; G1217-T1302 VanDerWaalsContact N-O 3.09Å; G1217-T1302 PolarHBondContact N-OG1 2.86Å; G1217-T1302 VanDerWaalsContact N-OG1 3.12Å; L1218-T1302 WeakPolarHBondContact CA-O 3.24Å; L1218-T1302 WeakPolarHBondContact CB-O 3.1Å; L1218-T1302 PolarHBondContact N-O 3.05Å; T1277-T1302 CarbonylContact O-C 3.51Å; T1277-T1302 VanDerWaalsContact O-CA 3.27Å; T1277-T1302 WeakPolarHBondContact O-CA 3.31Å; T1277-T1302 VanDerWaalsContact O-CB 3.31Å; T1277-T1302 WeakPolarHBondContact O-CB 3.33Å; T1277-T1302 PolarHBondContact O-N 2.92Å; Y1300-T1302 HydrophobicContact CD1-CG2 4.24Å; Y1300-T1302 HydrophobicContact CE1-CG2 3.49Å; Y1300-T1302 VanDerWaalsContact CE1-CG2 3.49Å
1303L82.9Confident76Confident18.6 Ų18.657.5 Ų57.510%0.09730%0.295CS..EExtended strand (participates in β ladder)000-56.6-169.7000116.4L1218 E1220 L1271 D1272 Y1273 K1276 T1277 Y1279L1218-L1303 HydrophobicContact CB-CD2 4.03Å; L1218-L1303 HydrophobicContact CD2-CD2 4.22Å; L1218-L1303 HydrophobicContact CG-CD2 4.35Å; L1218-L1303 CarbonylContact O-C 3.49Å; L1218-L1303 WeakPolarHBondContact O-CA 3.38Å; L1218-L1303 WeakPolarHBondContact O-CD2 3.26Å; E1220-L1303 HydrophobicContact CB-CD1 4.25Å; E1220-L1303 HydrophobicContact CB-CD2 3.85Å; L1271-L1303 HydrophobicContact CB-CD1 4.07Å; L1271-L1303 HydrophobicContact CB-CD2 4.31Å; L1271-L1303 HydrophobicContact CD1-CD2 3.79Å; L1271-L1303 HydrophobicContact CD2-CD1 3.99Å; L1271-L1303 HydrophobicContact CD2-CD2 4.3Å; L1271-L1303 HydrophobicContact CG-CD2 4.36Å; D1272-L1303 WeakPolarHBondContact O-CD1 3.29Å; Y1273-L1303 VanDerWaalsContact CD2-C 3.49Å; Y1273-L1303 HydrophobicContact CD2-CB 3.58Å; Y1273-L1303 HydrophobicContact CD2-CD1 4.18Å; Y1273-L1303 HydrophobicContact CD2-CG 4.27Å; Y1273-L1303 VanDerWaalsContact CE2-C 3.46Å; Y1273-L1303 HydrophobicContact CE2-CB 4.08Å; Y1273-L1303 WeakPolarHBondContact CE2-O 3.31Å; Y1273-L1303 HydrophobicContact CG-CB 3.79Å; K1276-L1303 WeakPolarHBondContact O-CD1 3.21Å; T1277-L1303 HydrophobicContact CG2-CB 4.08Å; T1277-L1303 HydrophobicContact CG2-CD1 3.9Å; T1277-L1303 HydrophobicContact CG2-CG 4.13Å; T1277-L1303 PolarHBondContact O-N 2.89Å; Y1279-L1303 HydrophobicContact CE2-CD1 4.34Å; Y1279-L1303 HydrophobicContact CE2-CD2 4.38Å; Y1279-L1303 HydrophobicContact CE2-CG 4.32Å
1304L72.7Confident75.5Confident95.6 Ų95.658.3 Ų58.350%0.50130%0.304SS..EExtended strand (participates in β ladder)000-173.462.5000114.3L1218 R1219 E1220 Y1273 E1306L1218-L1304 WeakPolarHBondContact O-CB 3.48Å; L1218-L1304 PolarHBondContact O-N 3.32Å; R1219-L1304 CarbonylContact C-O 3.18Å; R1219-L1304 HydrophobicContact CG-CD2 4.3Å; E1220-L1304 VanDerWaalsContact CB-O 3.22Å; E1220-L1304 WeakPolarHBondContact CB-O 3.26Å; E1220-L1304 WeakPolarHBondContact CG-O 3.35Å; E1220-L1304 PolarHBondContact N-O 2.93Å; Y1273-L1304 VanDerWaalsContact CD1-C 3.45Å; L1304-E1306 PolarHBondContact O-N 3Å
1305N69Low74.9Confident65.2 Ų65.258.2 Ų58.235%0.34931%0.307SS..  000-169.5-16.3000115.5E1220 Y1273 E1274E1220-N1305 WeakPolarHBondContact OE1-CA 3.39Å; E1220-N1305 WeakPolarHBondContact OE1-CB 3.41Å; E1220-N1305 PolarHBondContact OE1-ND2 2.83Å; Y1273-N1305 HydrophobicContact CD1-CB 3.7Å; Y1273-N1305 VanDerWaalsContact CD1-CG 3.49Å; Y1273-N1305 WeakPolarHBondContact CD1-ND2 3.32Å; Y1273-N1305 WeakPolarHBondContact CD1-OD1 3.32Å; Y1273-N1305 HydrophobicContact CD2-CB 4.12Å; Y1273-N1305 HydrophobicContact CE1-CB 3.79Å; Y1273-N1305 VanDerWaalsContact CE1-CB 3.49Å; Y1273-N1305 WeakPolarHBondContact CE1-OD1 3.33Å; Y1273-N1305 HydrophobicContact CE2-CB 4.06Å; Y1273-N1305 HydrophobicContact CG-CB 3.81Å; Y1273-N1305 VanDerWaalsContact CG-CB 3.49Å; E1274-N1305 PolarHBondContact OE1-ND2 3.01Å; E1274-N1305 PolarHBondContact OE1-OD1 2.91Å; E1274-N1305 PolarHBondContact OE2-ND2 2.99Å
1306E61.4Low74.2Confident69.6 Ų69.661.7 Ų61.733%0.32534%0.335SS..  000-57-162.910400117.1R1219 E1220 T1221 L1304 D1308R1219-E1306 WeakPolarHBondContact CB-OE2 3.24Å; R1219-E1306 VanDerWaalsContact CD-OE1 3.27Å; R1219-E1306 WeakPolarHBondContact CD-OE1 3.19Å; R1219-E1306 WeakPolarHBondContact CD-OE2 3.16Å; R1219-E1306 HydrophobicContact CG-CG 4.25Å; R1219-E1306 WeakPolarHBondContact CG-OE1 3.29Å; R1219-E1306 WeakPolarHBondContact CG-OE2 3.26Å; R1219-E1306 IonicContact CZ-OE1 3.36Å; R1219-E1306 IonicContact CZ-OE2 3.9Å; R1219-E1306 IonicContact NE-OE1 3.24Å; R1219-E1306 PolarHBondContact NE-OE1 3.19Å; R1219-E1306 IonicContact NE-OE2 3.54Å; R1219-E1306 PolarHBondContact NE-OE2 2.82Å; R1219-E1306 IonicContact NH1-OE1 3.93Å; R1219-E1306 PolarHBondContact NH1-OE1 2.75Å; R1219-E1306 IonicContact NH2-OE1 3.43Å; R1219-E1306 PolarHBondContact NH2-OE1 2.73Å; R1219-E1306 IonicContact NH2-OE2 3.7Å; E1220-E1306 HydrophobicContact CG-CB 4.33Å; E1220-E1306 HydrophobicContact CG-CG 4.38Å; E1220-E1306 PolarHBondContact OE1-N 2.94Å; T1221-E1306 WeakPolarHBondContact CB-OE2 3.29Å; T1221-E1306 HydrophobicContact CG2-CB 4.26Å; T1221-E1306 HydrophobicContact CG2-CG 3.99Å; T1221-E1306 VanDerWaalsContact CG2-OE2 3.29Å; T1221-E1306 WeakPolarHBondContact CG2-OE2 3.32Å; T1221-E1306 PolarHBondContact N-OE2 3.16Å; T1221-E1306 PolarHBondContact OG1-OE1 2.97Å; T1221-E1306 PolarHBondContact OG1-OE2 2.84Å; T1221-E1306 VanDerWaalsContact OG1-OE2 3.06Å; L1304-E1306 PolarHBondContact O-N 3Å; E1306-D1308 VanDerWaalsContact C-N 3.33Å; E1306-D1308 PolarHBondContact O-N 2.99Å
1307L61.1Low73.8Confident84.2 Ų84.259.3 Ų59.344%0.44133%0.332SS..  000-99.5172.8000114.6D1341 N1342 L1343 D1393 G1394 G1395 P1396L1307-D1341 VanDerWaalsContact C-OD2 3.31Å; L1307-D1341 VanDerWaalsContact CA-OD2 3.24Å; L1307-D1341 WeakPolarHBondContact CA-OD2 3.18Å; L1307-D1341 HydrophobicContact CD2-CB 3.66Å; L1307-D1341 WeakPolarHBondContact CD2-OD2 3.28Å; L1307-D1341 HydrophobicContact CG-CB 4.18Å; L1307-N1342 HydrophobicContact CD2-CB 3.99Å; L1307-L1343 HydrophobicContact CD1-CD1 4.11Å; L1307-L1343 HydrophobicContact CD2-CD1 4.23Å; L1307-L1343 HydrophobicContact CG-CD1 4.46Å; L1307-D1393 VanDerWaalsContact CD1-O 3.28Å; L1307-D1393 WeakPolarHBondContact CD1-O 3.38Å; L1307-G1394 VanDerWaalsContact CD1-C 3.46Å; L1307-G1394 WeakPolarHBondContact CD1-O 3.5Å; L1307-G1395 VanDerWaalsContact CB-CA 3.41Å; L1307-G1395 WeakPolarHBondContact O-CA 3.09Å; L1307-P1396 WeakPolarHBondContact O-CD 3.32Å; L1307-P1396 WeakPolarHBondContact O-CG 3.23Å
1308D60.9Low73.3Confident91 Ų9161.2 Ų61.249%0.48734%0.339SS..  00076.8-38.8000119T1221 E1306 D1341 P1396 K1397T1221-D1308 HydrophobicContact CG2-CB 3.98Å; E1306-D1308 VanDerWaalsContact C-N 3.33Å; E1306-D1308 PolarHBondContact O-N 2.99Å; D1308-D1341 PolarHBondContact N-OD2 3.09Å; D1308-D1341 VanDerWaalsContact N-OD2 3.11Å; D1308-P1396 VanDerWaalsContact C-CG 3.47Å; D1308-P1396 HydrophobicContact CB-CG 4.35Å; D1308-K1397 VanDerWaalsContact O-CD 3.23Å; D1308-K1397 WeakPolarHBondContact O-CD 3.36Å; D1308-K1397 WeakPolarHBondContact O-CE 3.31Å; D1308-K1397 WeakPolarHBondContact O-CG 3.33Å; D1308-K1397 PolarHBondContact O-NZ 2.9Å; D1308-K1397 IonicContact OD2-NZ 3.5Å; D1308-K1397 PolarHBondContact OD2-NZ 2.67Å
1309E58.8Low73Confident107 Ų10767.2 Ų67.250%0.536%0.364SS..SBend000-84.2-68.3171.700117.6I1340 D1341 G1395 P1396 K1397E1309-I1340 HydrophobicContact CB-CG2 4.06Å; E1309-I1340 HydrophobicContact CG-CG2 4.15Å; E1309-D1341 WeakPolarHBondContact CA-OD2 3.49Å; E1309-D1341 HydrophobicContact CB-CB 3.87Å; E1309-D1341 WeakPolarHBondContact CB-OD1 3.42Å; E1309-D1341 VanDerWaalsContact CB-OD2 3.29Å; E1309-D1341 WeakPolarHBondContact CB-OD2 3.08Å; E1309-D1341 PolarHBondContact N-OD2 3Å; E1309-D1341 VanDerWaalsContact N-OD2 3.09Å; E1309-G1395 VanDerWaalsContact O-CA 3.29Å; E1309-G1395 WeakPolarHBondContact O-CA 3.37Å; E1309-P1396 WeakPolarHBondContact O-CD 3.33Å; E1309-P1396 WeakPolarHBondContact O-CG 3.38Å; E1309-K1397 VanDerWaalsContact CD-NZ 3.35Å; E1309-K1397 IonicContact OE1-NZ 2.76Å; E1309-K1397 IonicContact OE2-NZ 3.64Å; E1309-K1397 PolarHBondContact OE2-NZ 2.89Å
1310A55.6Low72.3Confident47.8 Ų47.868.4 Ų68.440%0.39537%0.374SS..  00000000119.3S1339 I1340 P1396 K1397 V1398A1310-S1339 PolarHBondContact O-OG 2.81Å; A1310-I1340 WeakPolarHBondContact O-CB 3.32Å; A1310-I1340 PolarHBondContact O-N 3.11Å; A1310-P1396 VanDerWaalsContact CA-O 3.25Å; A1310-P1396 WeakPolarHBondContact CA-O 3.35Å; A1310-P1396 WeakPolarHBondContact CB-O 3.4Å; A1310-K1397 HydrophobicContact CB-CB 3.84Å; A1310-K1397 HydrophobicContact CB-CD 4.07Å; A1310-V1398 HydrophobicContact CB-CB 4.25Å
1311V66.4Low71.9Confident27.6 Ų27.669.4 Ų69.417%0.16739%0.389CS..PPolyproline II helix000-169.70000116.8A1337 Y1338 I1340 D1341 I1346 A1391 D1393 S1400V1311-A1337 HydrophobicContact CG1-CB 3.83Å; V1311-Y1338 WeakPolarHBondContact CA-O 3.36Å; V1311-Y1338 WeakPolarHBondContact CG1-O 3.5Å; V1311-I1340 HydrophobicContact CB-CB 4.42Å; V1311-I1340 HydrophobicContact CG1-CB 3.98Å; V1311-I1340 HydrophobicContact CG1-CG1 4.09Å; V1311-D1341 HydrophobicContact CG2-CB 3.98Å; V1311-I1346 HydrophobicContact CG1-CD1 3.91Å; V1311-I1346 HydrophobicContact CG1-CG1 4.19Å; V1311-I1346 HydrophobicContact CG1-CG2 4.2Å; V1311-A1391 HydrophobicContact CG1-CB 4Å; V1311-D1393 HydrophobicContact CG2-CB 3.7Å; V1311-D1393 VanDerWaalsContact CG2-OD1 3.29Å; V1311-D1393 WeakPolarHBondContact CG2-OD1 3.13Å; V1311-D1393 VanDerWaalsContact CG2-OD2 3.31Å; V1311-D1393 WeakPolarHBondContact CG2-OD2 3.3Å; V1311-S1400 WeakPolarHBondContact CB-OG 3.44Å; V1311-S1400 VanDerWaalsContact O-CB 3.22Å; V1311-S1400 WeakPolarHBondContact O-CB 3.4Å; V1311-S1400 PolarHBondContact O-OG 2.81Å
1312Q66.4Low71.7Confident111.8 Ų111.870.5 Ų70.552%0.52239%0.394SS..EExtended strand (participates in β ladder)000-97.6-17710.500117.8A1337 Y1338Q1312-A1337 CarbonylContact O-C 3.53Å; Q1312-A1337 WeakPolarHBondContact O-CA 3.41Å; Q1312-A1337 VanDerWaalsContact O-CB 3.29Å; Q1312-A1337 WeakPolarHBondContact O-CB 3.46Å; Q1312-Y1338 HydrophobicContact CB-CD1 4.27Å; Q1312-Y1338 HydrophobicContact CB-CD2 4.22Å; Q1312-Y1338 HydrophobicContact CB-CE1 4.01Å; Q1312-Y1338 HydrophobicContact CB-CE2 4Å; Q1312-Y1338 HydrophobicContact CB-CG 4.42Å; Q1312-Y1338 HydrophobicContact CG-CE2 4.13Å; Q1312-Y1338 PolarHBondContact N-O 3.11Å; Q1312-Y1338 WeakPolarHBondContact O-CD1 3.3Å; Q1312-Y1338 PolarHBondContact O-N 3.02Å; Q1312-Y1338 VanDerWaalsContact OE1-CZ 3.28Å; Q1312-Y1338 PolarHBondContact OE1-OH 3.06Å
1313F78.1Confident71.5Confident45.8 Ų45.873.7 Ų73.720%0.20141%0.408CS..EExtended strand (participates in β ladder)000-105.3-89000117.3N1315 V1335 Q1336 A1337 Y1338 Y1348 V1389 A1391 S1400 V1402F1313-N1315 VanDerWaalsContact C-N 3.27Å; F1313-N1315 PolarHBondContact O-N 2.9Å; F1313-V1335 HydrophobicContact CD1-CB 4.41Å; F1313-V1335 HydrophobicContact CE1-CB 4.27Å; F1313-V1335 HydrophobicContact CE1-CG2 4.21Å; F1313-Q1336 WeakPolarHBondContact CA-O 3.44Å; F1313-Q1336 VanDerWaalsContact CD1-O 3.27Å; F1313-Q1336 WeakPolarHBondContact CD1-O 3.36Å; F1313-Q1336 WeakPolarHBondContact CE1-O 3.05Å; F1313-A1337 HydrophobicContact CD1-CB 4.02Å; F1313-A1337 HydrophobicContact CD2-CB 4.1Å; F1313-A1337 HydrophobicContact CE1-CB 4.11Å; F1313-A1337 HydrophobicContact CE2-CB 3.98Å; F1313-A1337 HydrophobicContact CG-CB 4.08Å; F1313-A1337 HydrophobicContact CZ-CB 4.32Å; F1313-Y1338 WeakPolarHBondContact CD2-O 3.14Å; F1313-Y1338 PolarHBondContact N-OH 2.77Å; F1313-Y1338 WeakPolarHBondContact O-CE1 3.25Å; F1313-Y1338 PolarHBondContact O-OH 3.4Å; F1313-Y1348 HydrophobicContact CD1-CE1 4.29Å; F1313-Y1348 AromaticContact CE1-CD1 3.65Å; F1313-Y1348 HydrophobicContact CE1-CD1 3.99Å; F1313-Y1348 AromaticContact CE1-CE1 3.79Å; F1313-Y1348 HydrophobicContact CE1-CE1 3.91Å; F1313-Y1348 AromaticContact CZ-CD1 3.92Å; F1313-Y1348 HydrophobicContact CZ-CD1 4.19Å; F1313-Y1348 HydrophobicContact CZ-CE1 4.28Å; F1313-V1389 HydrophobicContact CE1-CG1 4.35Å; F1313-V1389 HydrophobicContact CZ-CG1 4.19Å; F1313-V1389 WeakPolarHBondContact CZ-O 3.47Å; F1313-A1391 HydrophobicContact CD1-CB 4.15Å; F1313-A1391 HydrophobicContact CD2-CB 4.06Å; F1313-A1391 HydrophobicContact CE1-CB 3.86Å; F1313-A1391 HydrophobicContact CE2-CB 3.52Å; F1313-A1391 VanDerWaalsContact CE2-N 3.31Å; F1313-A1391 HydrophobicContact CG-CB 4.08Å; F1313-A1391 HydrophobicContact CZ-CB 3.47Å; F1313-A1391 VanDerWaalsContact CZ-CB 3.5Å; F1313-A1391 VanDerWaalsContact CZ-N 3.34Å; F1313-S1400 VanDerWaalsContact CD2-C 3.46Å; F1313-S1400 VanDerWaalsContact CD2-OG 3.29Å; F1313-S1400 WeakPolarHBondContact CD2-OG 3.46Å; F1313-S1400 VanDerWaalsContact CE2-O 3.31Å; F1313-S1400 WeakPolarHBondContact CE2-O 3.23Å; F1313-V1402 HydrophobicContact CB-CB 4.22Å; F1313-V1402 HydrophobicContact CD1-CB 4.04Å; F1313-V1402 HydrophobicContact CD1-CG1 3.74Å; F1313-V1402 HydrophobicContact CD2-CB 3.72Å; F1313-V1402 HydrophobicContact CD2-CG1 3.95Å; F1313-V1402 HydrophobicContact CE1-CB 4.16Å; F1313-V1402 HydrophobicContact CE1-CG1 3.58Å; F1313-V1402 VanDerWaalsContact CE1-CG1 3.44Å; F1313-V1402 HydrophobicContact CE2-CB 4.21Å; F1313-V1402 HydrophobicContact CE2-CG1 4.01Å; F1313-V1402 HydrophobicContact CG-CB 3.73Å; F1313-V1402 HydrophobicContact CG-CG1 3.77Å; F1313-V1402 HydrophobicContact CG-CG2 4.48Å; F1313-V1402 HydrophobicContact CZ-CB 4.3Å; F1313-V1402 HydrophobicContact CZ-CG1 3.77Å
1314S73.6Confident71.3Confident61.8 Ų61.873.7 Ų73.743%0.43241%0.407SS..SBend00087.90000119.3Y1318 Q1336 A1337S1314-Y1318 PolarHBondContact OG-OH 2.84Å; S1314-Q1336 WeakPolarHBondContact CB-O 3.21Å; S1314-Q1336 PolarHBondContact N-O 2.96Å; S1314-Q1336 PolarHBondContact OG-O 2.89Å; S1314-Q1336 VanDerWaalsContact OG-O 3.06Å; S1314-A1337 VanDerWaalsContact OG-CA 3.26Å; S1314-A1337 WeakPolarHBondContact OG-CA 3.46Å; S1314-A1337 WeakPolarHBondContact OG-CB 3.25Å
1315N72.9Confident71.4Confident106.6 Ų106.673.4 Ų73.457%0.5741%0.406SS*.  000-104.116.1000113.6F1313 S1317 Y1318 V1402F1313-N1315 VanDerWaalsContact C-N 3.27Å; F1313-N1315 PolarHBondContact O-N 2.9Å; N1315-S1317 VanDerWaalsContact C-N 3.29Å; N1315-S1317 PolarHBondContact O-N 2.62Å; N1315-Y1318 HydrophobicContact CB-CD2 4.44Å; N1315-Y1318 HydrophobicContact CB-CE1 4.32Å; N1315-Y1318 HydrophobicContact CB-CE2 4.08Å; N1315-Y1318 WeakPolarHBondContact CB-OH 3.25Å; N1315-Y1318 PolarHBondContact ND2-OH 2.85Å; N1315-V1402 WeakPolarHBondContact O-CG2 3.25Å
1316A71.4Confident71.8Confident85 Ų8572.8 Ų72.870%0.70240%0.403SS*.SBend00000000119V1335 V1402A1316-V1335 WeakPolarHBondContact O-CG1 3.13Å; A1316-V1402 VanDerWaalsContact O-CG2 3.27Å; A1316-V1402 WeakPolarHBondContact O-CG2 3.4Å
1317S79.2Confident72.4Confident65.6 Ų65.672.9 Ų72.946%0.45942%0.415SS..EExtended strand (participates in β ladder)00059.30000116.5N1315 K1403N1315-S1317 VanDerWaalsContact C-N 3.29Å; N1315-S1317 PolarHBondContact O-N 2.62Å; S1317-K1403 CarbonylContact C-O 3.5Å; S1317-K1403 VanDerWaalsContact CA-O 3.31Å; S1317-K1403 WeakPolarHBondContact CA-O 3.18Å; S1317-K1403 WeakPolarHBondContact CB-O 3Å
1318Y78.9Confident73.1Confident49 Ų4974.2 Ų74.219%0.19242%0.422CS..EExtended strand (participates in β ladder)000-55.1-96.4000115.2S1314 N1315 V1333 R1334 V1335 Q1336 V1402 K1403 V1404 Y1405S1314-Y1318 PolarHBondContact OG-OH 2.84Å; N1315-Y1318 HydrophobicContact CB-CD2 4.44Å; N1315-Y1318 HydrophobicContact CB-CE1 4.32Å; N1315-Y1318 HydrophobicContact CB-CE2 4.08Å; N1315-Y1318 WeakPolarHBondContact CB-OH 3.25Å; N1315-Y1318 PolarHBondContact ND2-OH 2.85Å; Y1318-V1333 HydrophobicContact CD1-CG1 4.25Å; Y1318-V1333 HydrophobicContact CD1-CG2 3.85Å; Y1318-V1333 HydrophobicContact CD2-CB 4.25Å; Y1318-V1333 HydrophobicContact CD2-CG1 3.56Å; Y1318-V1333 HydrophobicContact CD2-CG2 3.75Å; Y1318-V1333 HydrophobicContact CE1-CG2 3.7Å; Y1318-V1333 HydrophobicContact CE2-CG1 4.46Å; Y1318-V1333 HydrophobicContact CE2-CG2 3.95Å; Y1318-V1333 HydrophobicContact CG-CB 4.1Å; Y1318-V1333 HydrophobicContact CG-CG1 3.43Å; Y1318-V1333 VanDerWaalsContact CG-CG1 3.43Å; Y1318-V1333 HydrophobicContact CG-CG2 4.2Å; Y1318-R1334 WeakPolarHBondContact CD1-O 3.38Å; Y1318-R1334 VanDerWaalsContact CE1-O 3.27Å; Y1318-R1334 WeakPolarHBondContact CE1-O 3.34Å; Y1318-R1334 WeakPolarHBondContact CE2-O 3.45Å; Y1318-R1334 VanDerWaalsContact CZ-O 3.28Å; Y1318-R1334 PolarHBondContact OH-O 2.97Å; Y1318-V1335 HydrophobicContact CD1-CG1 4.31Å; Y1318-V1335 HydrophobicContact CD2-CB 4.47Å; Y1318-V1335 HydrophobicContact CD2-CG1 3.84Å; Y1318-V1335 HydrophobicContact CE1-CB 4.49Å; Y1318-V1335 HydrophobicContact CE1-CG1 4.21Å; Y1318-V1335 HydrophobicContact CE2-CB 3.95Å; Y1318-V1335 HydrophobicContact CE2-CG1 3.77Å; Y1318-V1335 HydrophobicContact CG-CG1 4.06Å; Y1318-Q1336 PolarHBondContact OH-N 3.5Å; Y1318-Q1336 VanDerWaalsContact OH-N 3.11Å; Y1318-Q1336 PolarHBondContact OH-O 3.24Å; Y1318-V1402 HydrophobicContact CD2-CG1 4.22Å; Y1318-V1402 HydrophobicContact CD2-CG2 3.8Å; Y1318-V1402 HydrophobicContact CE2-CG1 4.21Å; Y1318-V1402 HydrophobicContact CE2-CG2 4.15Å; Y1318-K1403 PolarHBondContact N-O 3.13Å; Y1318-V1404 HydrophobicContact CD2-CG2 4.28Å; Y1318-V1404 CarbonylContact O-C 3.46Å; Y1318-V1404 VanDerWaalsContact O-CA 3.27Å; Y1318-V1404 WeakPolarHBondContact O-CA 3.35Å; Y1318-Y1405 WeakPolarHBondContact O-CD2 3.31Å; Y1318-Y1405 PolarHBondContact O-N 3.18Å; Y1318-Y1405 VanDerWaalsContact O-N 3.09Å
1319E79Confident73.8Confident152.2 Ų152.272 Ų7271%0.71142%0.42SS*.EExtended strand (participates in β ladder)000-64-179.3166.200115.6I1332 Y1405E1319-I1332 VanDerWaalsContact O-CG2 3.3Å; E1319-I1332 WeakPolarHBondContact O-CG2 3.16Å; E1319-Y1405 CarbonylContact C-O 3.44Å; E1319-Y1405 WeakPolarHBondContact CA-O 3.49Å; E1319-Y1405 HydrophobicContact CG-CD2 4.08Å
1320A75Confident75Confident25.2 Ų25.269.8 Ų69.821%0.20841%0.414CS..EExtended strand (participates in β ladder)00000000116.7I1332 V1333 V1404 Y1405 I1406 T1407A1320-I1332 HydrophobicContact CB-CD1 3.7Å; A1320-I1332 HydrophobicContact CB-CG1 4.24Å; A1320-I1332 HydrophobicContact CB-CG2 3.6Å; A1320-I1332 VanDerWaalsContact CB-CG2 3.43Å; A1320-V1333 HydrophobicContact CB-CB 4.38Å; A1320-V1333 HydrophobicContact CB-CG1 4.48Å; A1320-V1404 HydrophobicContact CB-CG1 4.01Å; A1320-Y1405 PolarHBondContact N-O 2.98Å; A1320-Y1405 CarbonylContact O-C 3.57Å; A1320-I1406 HydrophobicContact CB-CG1 4.45Å; A1320-I1406 CarbonylContact O-C 3.59Å; A1320-I1406 VanDerWaalsContact O-CA 3.28Å; A1320-I1406 WeakPolarHBondContact O-CA 3.07Å; A1320-T1407 PolarHBondContact O-N 2.83Å
1321V77.6Confident76.3Confident106.8 Ų106.873.9 Ų73.965%0.64743%0.425SS*.EExtended strand (participates in β ladder)000-175.80000112.9T1407 L1409V1321-T1407 CarbonylContact C-O 3.56Å; V1321-T1407 VanDerWaalsContact CA-O 3.31Å; V1321-T1407 WeakPolarHBondContact CA-O 3.12Å; V1321-T1407 WeakPolarHBondContact CG1-OG1 3.39Å; V1321-L1409 HydrophobicContact CG1-CD1 3.83Å; V1321-L1409 HydrophobicContact CG1-CD2 3.91Å; V1321-L1409 HydrophobicContact CG1-CG 3.67Å
1322I82.3Confident77.2Confident26 Ų2674.2 Ų74.213%0.13343%0.425CS..  00063.8169.6000115.3L1326 I1332 F1362 V1373 V1377 I1406 T1407 V1408 L1409I1322-L1326 HydrophobicContact CB-CD1 3.79Å; I1322-L1326 HydrophobicContact CD1-CD1 4.37Å; I1322-L1326 HydrophobicContact CG1-CD1 4.49Å; I1322-L1326 HydrophobicContact CG2-CD1 3.94Å; I1322-I1332 HydrophobicContact CD1-CD1 4.27Å; I1322-I1332 HydrophobicContact CG2-CD1 4.02Å; I1322-I1332 HydrophobicContact CG2-CG1 4.11Å; I1322-I1332 HydrophobicContact CG2-CG2 4.07Å; I1322-F1362 HydrophobicContact CD1-CE1 3.92Å; I1322-F1362 HydrophobicContact CD1-CZ 4.14Å; I1322-V1373 HydrophobicContact CD1-CG2 4.01Å; I1322-V1377 HydrophobicContact CD1-CG1 4.03Å; I1322-V1377 HydrophobicContact CD1-CG2 4.18Å; I1322-I1406 HydrophobicContact CB-CD1 4.26Å; I1322-I1406 HydrophobicContact CB-CG1 4.24Å; I1322-I1406 HydrophobicContact CD1-CD1 3.58Å; I1322-I1406 HydrophobicContact CD1-CG1 4.36Å; I1322-I1406 HydrophobicContact CD1-CG2 3.94Å; I1322-I1406 VanDerWaalsContact CD1-CG2 3.46Å; I1322-I1406 HydrophobicContact CG1-CB 4.45Å; I1322-I1406 HydrophobicContact CG1-CD1 3.55Å; I1322-I1406 HydrophobicContact CG1-CG1 3.75Å; I1322-I1406 HydrophobicContact CG1-CG2 3.95Å; I1322-I1406 HydrophobicContact CG2-CD1 3.85Å; I1322-I1406 HydrophobicContact CG2-CG1 3.94Å; I1322-T1407 CarbonylContact C-O 3.49Å; I1322-T1407 WeakPolarHBondContact CA-O 3.47Å; I1322-T1407 WeakPolarHBondContact CG1-O 3.4Å; I1322-T1407 PolarHBondContact N-O 3.1Å; I1322-T1407 CarbonylContact O-C 3.53Å; I1322-T1407 VanDerWaalsContact O-C 3.31Å; I1322-T1407 WeakPolarHBondContact O-CA 3.46Å; I1322-T1407 WeakPolarHBondContact O-CB 3.24Å; I1322-V1408 HydrophobicContact CD1-CG2 4.26Å; I1322-V1408 HydrophobicContact CG1-CG2 4.11Å; I1322-V1408 CarbonylContact O-C 3.54Å; I1322-V1408 VanDerWaalsContact O-CA 3.27Å; I1322-V1408 WeakPolarHBondContact O-CA 3.41Å; I1322-L1409 WeakPolarHBondContact O-CG 3.36Å; I1322-L1409 PolarHBondContact O-N 3.11Å
1323M78.2Confident78.1Confident105.2 Ų105.270.4 Ų70.452%0.51841%0.41SS..  0165.70-95.2172.5162.800112.4L1326 V1377 T1407 L1409M1323-L1326 HydrophobicContact CB-CD1 4.12Å; M1323-L1326 HydrophobicContact CB-CG 4.29Å; M1323-L1326 WeakPolarHBondContact O-CB 3.46Å; M1323-L1326 VanDerWaalsContact O-CD1 3.3Å; M1323-L1326 WeakPolarHBondContact O-CD1 3.2Å; M1323-L1326 VanDerWaalsContact O-CG 3.24Å; M1323-L1326 WeakPolarHBondContact O-CG 3.19Å; M1323-V1377 WeakPolarHBondContact O-CG2 3.34Å; M1323-T1407 PolarHBondContact N-O 2.85Å; M1323-L1409 HydrophobicContact CE-CB 4.46Å; M1323-L1409 HydrophobicContact CE-CD1 4.06Å; M1323-L1409 HydrophobicContact CE-CG 4.12Å; M1323-L1409 HydrophobicContact CG-CB 4.09Å; M1323-L1409 HydrophobicContact CG-CD1 4.18Å
1324E78.9Confident78.4Confident17.8 Ų17.874.5 Ų74.58%0.08342%0.424CS..THydrogen-bonded Turntrans-75168.1171.487.6165.3144.200114.5L1326 V1377 D1378 R1379 V1408 L1409 D1410 E1411E1324-L1326 PolarHBondContact O-N 3Å; E1324-L1326 VanDerWaalsContact O-N 3.14Å; E1324-V1377 CarbonylContact C-O 3.27Å; E1324-V1377 WeakPolarHBondContact CA-O 3.35Å; E1324-V1377 HydrophobicContact CB-CG1 4.3Å; E1324-V1377 VanDerWaalsContact CB-O 3.32Å; E1324-V1377 WeakPolarHBondContact CB-O 3.31Å; E1324-D1378 VanDerWaalsContact OE2-CA 3.24Å; E1324-D1378 WeakPolarHBondContact OE2-CA 3.31Å; E1324-R1379 HydrophobicContact CB-CB 4.19Å; E1324-R1379 HydrophobicContact CG-CB 4.24Å; E1324-R1379 WeakPolarHBondContact OE1-CB 3.05Å; E1324-R1379 IonicContact OE1-NE 3.75Å; E1324-R1379 VanDerWaalsContact OE2-CB 3.27Å; E1324-R1379 WeakPolarHBondContact OE2-CB 3.37Å; E1324-R1379 PolarHBondContact OE2-N 2.95Å; E1324-V1408 HydrophobicContact CB-CG1 3.77Å; E1324-L1409 HydrophobicContact CB-CB 3.63Å; E1324-L1409 WeakPolarHBondContact CB-O 3.42Å; E1324-L1409 VanDerWaalsContact CD-C 3.48Å; E1324-L1409 HydrophobicContact CG-CB 4.1Å; E1324-L1409 WeakPolarHBondContact CG-O 3.28Å; E1324-L1409 PolarHBondContact N-O 2.85Å; E1324-D1410 VanDerWaalsContact OE1-C 3.23Å; E1324-D1410 WeakPolarHBondContact OE1-CA 3.14Å; E1324-E1411 HydrophobicContact CG-CB 3.77Å; E1324-E1411 HydrophobicContact CG-CG 4.03Å; E1324-E1411 WeakPolarHBondContact O-CG 3.24Å; E1324-E1411 PolarHBondContact OE1-N 3.04Å
1325N74.7Confident78.9Confident89.8 Ų89.872.1 Ų72.148%0.4841%0.407SS..THydrogen-bonded Turntrans51.823.4-175.5-77.2-58.9000114.5A1327 V1377 E1411 D1413N1325-A1327 PolarHBondContact O-N 2.97Å; N1325-V1377 WeakPolarHBondContact CA-O 3.41Å; N1325-V1377 PolarHBondContact N-O 3Å; N1325-E1411 HydrophobicContact CB-CB 4.22Å; N1325-E1411 HydrophobicContact CB-CG 4.33Å; N1325-D1413 VanDerWaalsContact ND2-CB 3.31Å; N1325-D1413 WeakPolarHBondContact ND2-CB 3.23Å; N1325-D1413 PolarHBondContact ND2-OD2 3.1Å; N1325-D1413 PolarHBondContact OD1-OD2 3.16Å
1326L76.9Confident79.2Confident54 Ų5473 Ų7328%0.28341%0.407SS..PPolyproline II helixtrans-66.7147.7178.8-90.3-178.5000112.7I1322 M1323 E1324 L1328 T1330 V1373I1322-L1326 HydrophobicContact CB-CD1 3.79Å; I1322-L1326 HydrophobicContact CD1-CD1 4.37Å; I1322-L1326 HydrophobicContact CG1-CD1 4.49Å; I1322-L1326 HydrophobicContact CG2-CD1 3.94Å; M1323-L1326 HydrophobicContact CB-CD1 4.12Å; M1323-L1326 HydrophobicContact CB-CG 4.29Å; M1323-L1326 WeakPolarHBondContact O-CB 3.46Å; M1323-L1326 VanDerWaalsContact O-CD1 3.3Å; M1323-L1326 WeakPolarHBondContact O-CD1 3.2Å; M1323-L1326 VanDerWaalsContact O-CG 3.24Å; M1323-L1326 WeakPolarHBondContact O-CG 3.19Å; E1324-L1326 PolarHBondContact O-N 3Å; E1324-L1326 VanDerWaalsContact O-N 3.14Å; L1326-L1328 PolarHBondContact O-N 2.82Å; L1326-L1328 VanDerWaalsContact O-N 3.15Å; L1326-T1330 HydrophobicContact CD1-CG2 4.06Å; L1326-T1330 HydrophobicContact CD2-CG2 4.03Å; L1326-T1330 HydrophobicContact CG-CG2 4.4Å; L1326-V1373 HydrophobicContact CB-CB 4.47Å; L1326-V1373 HydrophobicContact CB-CG1 4.36Å; L1326-V1373 HydrophobicContact CB-CG2 4.05Å; L1326-V1373 HydrophobicContact CD1-CG2 4.1Å
1327A73.9Confident79.5Confident70.6 Ų70.669.8 Ų69.858%0.58338%0.381SS*.PPolyproline II helixtrans-71.8143.118000000112.4N1325 G1329 T1330N1325-A1327 PolarHBondContact O-N 2.97Å; A1327-G1329 PolarHBondContact O-N 3.15Å; A1327-G1329 VanDerWaalsContact O-N 3.09Å; A1327-T1330 WeakPolarHBondContact O-CB 3.19Å; A1327-T1330 PolarHBondContact O-N 2.93Å; A1327-T1330 PolarHBondContact O-OG1 3.06Å
1328L77.4Confident79Confident112.6 Ų112.672.6 Ų72.659%0.5938%0.382SS*.THydrogen-bonded Turntrans-64.5133.5-179.4-54.5179.5000111.1L1326 V1373 K1374 G1375 L1376L1326-L1328 PolarHBondContact O-N 2.82Å; L1326-L1328 VanDerWaalsContact O-N 3.15Å; L1328-V1373 HydrophobicContact CD2-CG1 4.29Å; L1328-K1374 VanDerWaalsContact CD2-C 3.44Å; L1328-K1374 WeakPolarHBondContact CD2-O 3.42Å; L1328-G1375 VanDerWaalsContact CD2-C 3.48Å; L1328-G1375 VanDerWaalsContact CD2-O 3.26Å; L1328-G1375 WeakPolarHBondContact CD2-O 3.38Å; L1328-L1376 HydrophobicContact CD2-CD2 4.32Å; L1328-L1376 HydrophobicContact CD2-CG 4.49Å
1329G75.8Confident78.5Confident42.8 Ų42.871.3 Ų71.344%0.44138%0.38SS..THydrogen-bonded Turntrans102.7-1.1175.600000117A1327 E1331 T1372 V1373A1327-G1329 PolarHBondContact O-N 3.15Å; A1327-G1329 VanDerWaalsContact O-N 3.09Å; G1329-E1331 PolarHBondContact O-N 3.12Å; G1329-T1372 VanDerWaalsContact O-CG2 3.28Å; G1329-T1372 WeakPolarHBondContact O-CG2 3.14Å; G1329-V1373 WeakPolarHBondContact CA-O 3.28Å; G1329-V1373 PolarHBondContact N-O 3.08Å; G1329-V1373 VanDerWaalsContact N-O 3.09Å
1330T82.3Confident77.8Confident60.8 Ų60.869.2 Ų69.237%0.37337%0.373SS..  trans-62.1138.8177.7-49.80000112.2L1326 A1327 T1372 V1373L1326-T1330 HydrophobicContact CD1-CG2 4.06Å; L1326-T1330 HydrophobicContact CD2-CG2 4.03Å; L1326-T1330 HydrophobicContact CG-CG2 4.4Å; A1327-T1330 WeakPolarHBondContact O-CB 3.19Å; A1327-T1330 PolarHBondContact O-N 2.93Å; A1327-T1330 PolarHBondContact O-OG1 3.06Å; T1330-T1372 CarbonylContact O-C 3.55Å; T1330-T1372 VanDerWaalsContact O-C 3.31Å; T1330-T1372 VanDerWaalsContact O-CA 3.24Å; T1330-T1372 WeakPolarHBondContact O-CA 3.31Å; T1330-T1372 WeakPolarHBondContact O-CB 3.32Å; T1330-V1373 PolarHBondContact O-N 2.96Å
1331E84.3Confident77.3Confident135.2 Ų135.270.3 Ų70.363%0.63238%0.375SS*.EExtended strand (participates in β ladder)trans-87147.1-176.3-105.4-175.5174.500114G1329 R1334 V1370 I1371 T1372G1329-E1331 PolarHBondContact O-N 3.12Å; E1331-R1334 IonicContact OE2-NH2 2.68Å; E1331-V1370 HydrophobicContact CB-CG1 3.96Å; E1331-V1370 VanDerWaalsContact CD-CG1 3.43Å; E1331-V1370 HydrophobicContact CG-CG1 3.89Å; E1331-V1370 WeakPolarHBondContact OE1-CG1 3.28Å; E1331-I1371 CarbonylContact C-O 3.5Å; E1331-T1372 HydrophobicContact CB-CG2 4.33Å; E1331-T1372 HydrophobicContact CG-CG2 3.86Å
1332I84.3Confident76.5Confident33.4 Ų33.470.1 Ų70.117%0.17137%0.371CS..EExtended strand (participates in β ladder)trans-121.6-74.8-178.3-45.2-179.8000113.3E1319 A1320 I1322 F1362 I1371 V1373 V1404 I1406E1319-I1332 VanDerWaalsContact O-CG2 3.3Å; E1319-I1332 WeakPolarHBondContact O-CG2 3.16Å; A1320-I1332 HydrophobicContact CB-CD1 3.7Å; A1320-I1332 HydrophobicContact CB-CG1 4.24Å; A1320-I1332 HydrophobicContact CB-CG2 3.6Å; A1320-I1332 VanDerWaalsContact CB-CG2 3.43Å; I1322-I1332 HydrophobicContact CD1-CD1 4.27Å; I1322-I1332 HydrophobicContact CG2-CD1 4.02Å; I1322-I1332 HydrophobicContact CG2-CG1 4.11Å; I1322-I1332 HydrophobicContact CG2-CG2 4.07Å; I1332-F1362 HydrophobicContact CD1-CD1 3.33Å; I1332-F1362 VanDerWaalsContact CD1-CD1 3.45Å; I1332-F1362 HydrophobicContact CD1-CE1 3.38Å; I1332-F1362 VanDerWaalsContact CD1-CE1 3.45Å; I1332-F1362 HydrophobicContact CD1-CG 4.35Å; I1332-F1362 HydrophobicContact CD1-CZ 4.36Å; I1332-I1371 WeakPolarHBondContact CA-O 3.46Å; I1332-I1371 HydrophobicContact CB-CB 4.16Å; I1332-I1371 HydrophobicContact CB-CG2 4.29Å; I1332-I1371 WeakPolarHBondContact CB-O 3.5Å; I1332-I1371 HydrophobicContact CD1-CB 3.92Å; I1332-I1371 HydrophobicContact CD1-CG2 4.16Å; I1332-I1371 HydrophobicContact CG1-CB 3.92Å; I1332-I1371 HydrophobicContact CG1-CG2 4.14Å; I1332-I1371 PolarHBondContact N-O 3.01Å; I1332-V1373 HydrophobicContact CD1-CG2 3.96Å; I1332-V1373 HydrophobicContact CG1-CG2 4.22Å; I1332-V1404 HydrophobicContact CD1-CB 4.19Å; I1332-V1404 HydrophobicContact CD1-CG1 3.83Å; I1332-V1404 HydrophobicContact CD1-CG2 4.18Å; I1332-V1404 HydrophobicContact CG2-CG1 4.43Å; I1332-I1406 HydrophobicContact CD1-CD1 4.01Å; I1332-I1406 HydrophobicContact CG2-CD1 4.05Å; I1332-I1406 HydrophobicContact CG2-CG1 4.24Å
1333V85.6Confident75.4Confident32.6 Ų32.675.1 Ų75.120%0.19840%0.397CS..EExtended strand (participates in β ladder)trans-160.6168.3-169.768.90000114Y1318 A1320 V1370 I1371 V1404Y1318-V1333 HydrophobicContact CD1-CG1 4.25Å; Y1318-V1333 HydrophobicContact CD1-CG2 3.85Å; Y1318-V1333 HydrophobicContact CD2-CB 4.25Å; Y1318-V1333 HydrophobicContact CD2-CG1 3.56Å; Y1318-V1333 HydrophobicContact CD2-CG2 3.75Å; Y1318-V1333 HydrophobicContact CE1-CG2 3.7Å; Y1318-V1333 HydrophobicContact CE2-CG1 4.46Å; Y1318-V1333 HydrophobicContact CE2-CG2 3.95Å; Y1318-V1333 HydrophobicContact CG-CB 4.1Å; Y1318-V1333 HydrophobicContact CG-CG1 3.43Å; Y1318-V1333 VanDerWaalsContact CG-CG1 3.43Å; Y1318-V1333 HydrophobicContact CG-CG2 4.2Å; A1320-V1333 HydrophobicContact CB-CB 4.38Å; A1320-V1333 HydrophobicContact CB-CG1 4.48Å; V1333-V1370 CarbonylContact O-C 3.54Å; V1333-V1370 VanDerWaalsContact O-CA 3.28Å; V1333-V1370 WeakPolarHBondContact O-CA 3.1Å; V1333-I1371 HydrophobicContact CG1-CB 4.18Å; V1333-I1371 HydrophobicContact CG1-CD1 3.95Å; V1333-I1371 HydrophobicContact CG1-CG1 4.39Å; V1333-I1371 PolarHBondContact N-O 3.36Å; V1333-I1371 WeakPolarHBondContact O-CB 3.22Å; V1333-I1371 PolarHBondContact O-N 2.89Å; V1333-V1404 HydrophobicContact CG1-CG1 3.58Å
1334R85.2Confident74.5Confident132 Ų13276.1 Ų76.150%0.49840%0.404SS..  trans-135.50-169.1-165.7-176.8-145.1-167.9-5.7116.4Y1318 E1331 T1368 G1369 V1370Y1318-R1334 WeakPolarHBondContact CD1-O 3.38Å; Y1318-R1334 VanDerWaalsContact CE1-O 3.27Å; Y1318-R1334 WeakPolarHBondContact CE1-O 3.34Å; Y1318-R1334 WeakPolarHBondContact CE2-O 3.45Å; Y1318-R1334 VanDerWaalsContact CZ-O 3.28Å; Y1318-R1334 PolarHBondContact OH-O 2.97Å; E1331-R1334 IonicContact OE2-NH2 2.68Å; R1334-T1368 VanDerWaalsContact CD-O 3.29Å; R1334-T1368 WeakPolarHBondContact CD-O 3.28Å; R1334-T1368 WeakPolarHBondContact CG-O 3.34Å; R1334-T1368 PolarHBondContact NE-O 3Å; R1334-T1368 PolarHBondContact NH2-O 3.07Å; R1334-G1369 CarbonylContact C-O 2.91Å; R1334-G1369 WeakPolarHBondContact CA-O 3.4Å; R1334-V1370 HydrophobicContact CB-CG2 4.1Å; R1334-V1370 HydrophobicContact CG-CG2 3.82Å; R1334-V1370 VanDerWaalsContact NE-CG2 3.29Å
1335V84Confident73.8Confident11.2 Ų11.282.5 Ų82.57%0.06843%0.434CS..  000-54.20000116.3F1313 A1316 Y1318 Y1348 I1364 G1369 V1389 V1402 V1404F1313-V1335 HydrophobicContact CD1-CB 4.41Å; F1313-V1335 HydrophobicContact CE1-CB 4.27Å; F1313-V1335 HydrophobicContact CE1-CG2 4.21Å; A1316-V1335 WeakPolarHBondContact O-CG1 3.13Å; Y1318-V1335 HydrophobicContact CD1-CG1 4.31Å; Y1318-V1335 HydrophobicContact CD2-CB 4.47Å; Y1318-V1335 HydrophobicContact CD2-CG1 3.84Å; Y1318-V1335 HydrophobicContact CE1-CB 4.49Å; Y1318-V1335 HydrophobicContact CE1-CG1 4.21Å; Y1318-V1335 HydrophobicContact CE2-CB 3.95Å; Y1318-V1335 HydrophobicContact CE2-CG1 3.77Å; Y1318-V1335 HydrophobicContact CG-CG1 4.06Å; V1335-Y1348 HydrophobicContact CG2-CD1 3.99Å; V1335-Y1348 HydrophobicContact CG2-CD2 4.14Å; V1335-Y1348 HydrophobicContact CG2-CE1 4.22Å; V1335-Y1348 HydrophobicContact CG2-CG 3.99Å; V1335-I1364 HydrophobicContact CG2-CD1 3.91Å; V1335-G1369 WeakPolarHBondContact CG2-O 3.39Å; V1335-G1369 PolarHBondContact N-O 2.98Å; V1335-G1369 VanDerWaalsContact N-O 3.09Å; V1335-V1389 HydrophobicContact CG1-CB 4.5Å; V1335-V1389 HydrophobicContact CG1-CG2 4.32Å; V1335-V1389 HydrophobicContact CG2-CB 4.44Å; V1335-V1389 HydrophobicContact CG2-CG1 3.92Å; V1335-V1402 HydrophobicContact CB-CG1 4.4Å; V1335-V1402 HydrophobicContact CG1-CG1 4.12Å; V1335-V1404 HydrophobicContact CG1-CG2 3.96Å
1336Q79.1Confident73.8Confident125 Ų12580 Ų8058%0.58442%0.421SS*.  000-121.9178.7-1600117.3F1313 S1314 Y1318 Y1348F1313-Q1336 WeakPolarHBondContact CA-O 3.44Å; F1313-Q1336 VanDerWaalsContact CD1-O 3.27Å; F1313-Q1336 WeakPolarHBondContact CD1-O 3.36Å; F1313-Q1336 WeakPolarHBondContact CE1-O 3.05Å; S1314-Q1336 WeakPolarHBondContact CB-O 3.21Å; S1314-Q1336 PolarHBondContact N-O 2.96Å; S1314-Q1336 PolarHBondContact OG-O 2.89Å; S1314-Q1336 VanDerWaalsContact OG-O 3.06Å; Y1318-Q1336 PolarHBondContact OH-N 3.5Å; Y1318-Q1336 VanDerWaalsContact OH-N 3.11Å; Y1318-Q1336 PolarHBondContact OH-O 3.24Å; Q1336-Y1348 VanDerWaalsContact C-OH 3.25Å; Q1336-Y1348 VanDerWaalsContact CA-OH 3.27Å; Q1336-Y1348 WeakPolarHBondContact CA-OH 3.29Å
1337A76.3Confident73.8Confident17.8 Ų17.880.7 Ų80.715%0.14743%0.427CS..EExtended strand (participates in β ladder)00000000117.2V1311 Q1312 F1313 S1314 I1346 Y1348 A1391V1311-A1337 HydrophobicContact CG1-CB 3.83Å; Q1312-A1337 CarbonylContact O-C 3.53Å; Q1312-A1337 WeakPolarHBondContact O-CA 3.41Å; Q1312-A1337 VanDerWaalsContact O-CB 3.29Å; Q1312-A1337 WeakPolarHBondContact O-CB 3.46Å; F1313-A1337 HydrophobicContact CD1-CB 4.02Å; F1313-A1337 HydrophobicContact CD2-CB 4.1Å; F1313-A1337 HydrophobicContact CE1-CB 4.11Å; F1313-A1337 HydrophobicContact CE2-CB 3.98Å; F1313-A1337 HydrophobicContact CG-CB 4.08Å; F1313-A1337 HydrophobicContact CZ-CB 4.32Å; S1314-A1337 VanDerWaalsContact OG-CA 3.26Å; S1314-A1337 WeakPolarHBondContact OG-CA 3.46Å; S1314-A1337 WeakPolarHBondContact OG-CB 3.25Å; A1337-I1346 HydrophobicContact CB-CB 4.4Å; A1337-I1346 HydrophobicContact CB-CD1 4.28Å; A1337-I1346 HydrophobicContact CB-CG2 4.24Å; A1337-I1346 VanDerWaalsContact O-CD1 3.23Å; A1337-I1346 WeakPolarHBondContact O-CD1 3.3Å; A1337-Y1348 HydrophobicContact CB-CE1 3.93Å; A1337-Y1348 WeakPolarHBondContact CB-OH 3.19Å; A1337-Y1348 PolarHBondContact N-OH 3.06Å; A1337-Y1348 VanDerWaalsContact N-OH 3.13Å; A1337-A1391 HydrophobicContact CB-CB 3.57Å
1338Y70.1Confident74.3Confident124.8 Ų124.878.7 Ų78.749%0.48941%0.405SS..EExtended strand (participates in β ladder)00064-85000116.7V1311 Q1312 F1313 I1346V1311-Y1338 WeakPolarHBondContact CA-O 3.36Å; V1311-Y1338 WeakPolarHBondContact CG1-O 3.5Å; Q1312-Y1338 HydrophobicContact CB-CD1 4.27Å; Q1312-Y1338 HydrophobicContact CB-CD2 4.22Å; Q1312-Y1338 HydrophobicContact CB-CE1 4.01Å; Q1312-Y1338 HydrophobicContact CB-CE2 4Å; Q1312-Y1338 HydrophobicContact CB-CG 4.42Å; Q1312-Y1338 HydrophobicContact CG-CE2 4.13Å; Q1312-Y1338 PolarHBondContact N-O 3.11Å; Q1312-Y1338 WeakPolarHBondContact O-CD1 3.3Å; Q1312-Y1338 PolarHBondContact O-N 3.02Å; Q1312-Y1338 VanDerWaalsContact OE1-CZ 3.28Å; Q1312-Y1338 PolarHBondContact OE1-OH 3.06Å; F1313-Y1338 WeakPolarHBondContact CD2-O 3.14Å; F1313-Y1338 PolarHBondContact N-OH 2.77Å; F1313-Y1338 WeakPolarHBondContact O-CE1 3.25Å; F1313-Y1338 PolarHBondContact O-OH 3.4Å; Y1338-I1346 VanDerWaalsContact C-CD1 3.49Å; Y1338-I1346 VanDerWaalsContact CA-CD1 3.4Å; Y1338-I1346 WeakPolarHBondContact O-CD1 3.42Å
1339S67.4Low74.8Confident21.4 Ų21.478 Ų7815%0.1539%0.394CS..  000-176.90000115.6A1310 D1341 N1342 L1343 D1393A1310-S1339 PolarHBondContact O-OG 2.81Å; S1339-D1341 PolarHBondContact OG-N 3.39Å; S1339-N1342 PolarHBondContact OG-N 3.15Å; S1339-L1343 WeakPolarHBondContact O-CA 3.22Å; S1339-L1343 WeakPolarHBondContact O-CD2 3.35Å; S1339-D1393 VanDerWaalsContact CB-OD2 3.24Å; S1339-D1393 WeakPolarHBondContact CB-OD2 3.29Å; S1339-D1393 PolarHBondContact OG-OD2 2.99Å
1340I63.6Low75.2Confident107.8 Ų107.877.5 Ų77.555%0.55338%0.38SS*.SBend0-65.90-60.4176.7000115.6E1274 E1309 A1310 V1311 N1342 L1343E1274-I1340 HydrophobicContact CG-CG2 4.17Å; E1309-I1340 HydrophobicContact CB-CG2 4.06Å; E1309-I1340 HydrophobicContact CG-CG2 4.15Å; A1310-I1340 WeakPolarHBondContact O-CB 3.32Å; A1310-I1340 PolarHBondContact O-N 3.11Å; V1311-I1340 HydrophobicContact CB-CB 4.42Å; V1311-I1340 HydrophobicContact CG1-CB 3.98Å; V1311-I1340 HydrophobicContact CG1-CG1 4.09Å; I1340-N1342 VanDerWaalsContact C-N 3.31Å; I1340-N1342 PolarHBondContact O-N 2.97Å; I1340-N1342 VanDerWaalsContact O-N 3.13Å; I1340-L1343 VanDerWaalsContact O-O 3.07Å
1341D66.1Low75.2Confident47.8 Ų47.875.8 Ų75.826%0.25637%0.369SS..SBendtrans-48.9-13.1-171.5-82.5-10.4000113.6L1307 D1308 E1309 V1311 S1339 L1343L1307-D1341 VanDerWaalsContact C-OD2 3.31Å; L1307-D1341 VanDerWaalsContact CA-OD2 3.24Å; L1307-D1341 WeakPolarHBondContact CA-OD2 3.18Å; L1307-D1341 HydrophobicContact CD2-CB 3.66Å; L1307-D1341 WeakPolarHBondContact CD2-OD2 3.28Å; L1307-D1341 HydrophobicContact CG-CB 4.18Å; D1308-D1341 PolarHBondContact N-OD2 3.09Å; D1308-D1341 VanDerWaalsContact N-OD2 3.11Å; E1309-D1341 WeakPolarHBondContact CA-OD2 3.49Å; E1309-D1341 HydrophobicContact CB-CB 3.87Å; E1309-D1341 WeakPolarHBondContact CB-OD1 3.42Å; E1309-D1341 VanDerWaalsContact CB-OD2 3.29Å; E1309-D1341 WeakPolarHBondContact CB-OD2 3.08Å; E1309-D1341 PolarHBondContact N-OD2 3Å; E1309-D1341 VanDerWaalsContact N-OD2 3.09Å; V1311-D1341 HydrophobicContact CG2-CB 3.98Å; S1339-D1341 PolarHBondContact OG-N 3.39Å; D1341-L1343 WeakPolarHBondContact O-CD1 3.32Å; D1341-L1343 VanDerWaalsContact O-CG 3.25Å; D1341-L1343 WeakPolarHBondContact O-CG 3.2Å; D1341-L1343 PolarHBondContact O-N 3.07Å
1342N60.8Low74.8Confident103.4 Ų103.472.2 Ų72.255%0.55336%0.362SS*.  trans101.747.6173.6-149.55.6000115.1L1307 S1339 I1340 N1344 Q1345 D1393L1307-N1342 HydrophobicContact CD2-CB 3.99Å; S1339-N1342 PolarHBondContact OG-N 3.15Å; I1340-N1342 VanDerWaalsContact C-N 3.31Å; I1340-N1342 PolarHBondContact O-N 2.97Å; I1340-N1342 VanDerWaalsContact O-N 3.13Å; N1342-N1344 PolarHBondContact O-N 2.96Å; N1342-N1344 PolarHBondContact OD1-N 2.88Å; N1342-Q1345 WeakPolarHBondContact ND2-CB 3.45Å; N1342-Q1345 PolarHBondContact ND2-OE1 3.46Å; N1342-Q1345 WeakPolarHBondContact OD1-CB 3.08Å; N1342-Q1345 PolarHBondContact OD1-N 2.73Å; N1342-D1393 HydrophobicContact CB-CB 4.28Å; N1342-D1393 PolarHBondContact ND2-O 3.38Å
1343L58.5Low74.1Confident131.4 Ų131.479.3 Ų79.369%0.68839%0.388SS*.SBendtrans-92.9-16177.3-70.6165.3000114.1L1307 S1339 I1340 D1341L1307-L1343 HydrophobicContact CD1-CD1 4.11Å; L1307-L1343 HydrophobicContact CD2-CD1 4.23Å; L1307-L1343 HydrophobicContact CG-CD1 4.46Å; S1339-L1343 WeakPolarHBondContact O-CA 3.22Å; S1339-L1343 WeakPolarHBondContact O-CD2 3.35Å; I1340-L1343 VanDerWaalsContact O-O 3.07Å; D1341-L1343 WeakPolarHBondContact O-CD1 3.32Å; D1341-L1343 VanDerWaalsContact O-CG 3.25Å; D1341-L1343 WeakPolarHBondContact O-CG 3.2Å; D1341-L1343 PolarHBondContact O-N 3.07Å
1344N58.6Low73.7Confident125.6 Ų125.678.1 Ų78.167%0.67238%0.381SS*.  trans-134.7126.2-165.3-69.1-52.3000116.4N1342 D1393N1342-N1344 PolarHBondContact O-N 2.96Å; N1342-N1344 PolarHBondContact OD1-N 2.88Å; N1344-D1393 HydrophobicContact CB-CB 4.36Å; N1344-D1393 WeakPolarHBondContact CB-O 3.34Å; N1344-D1393 PolarHBondContact ND2-O 2.96Å
1345Q65.1Low73.3Confident152 Ų15273.8 Ų73.871%0.7137%0.371SS*.  trans-135.6120.8178.6-134.2174.9-5.300113.5N1342N1342-Q1345 WeakPolarHBondContact ND2-CB 3.45Å; N1342-Q1345 PolarHBondContact ND2-OE1 3.46Å; N1342-Q1345 WeakPolarHBondContact OD1-CB 3.08Å; N1342-Q1345 PolarHBondContact OD1-N 2.73Å
1346I74Confident72.9Confident37.8 Ų37.877.2 Ų77.219%0.19440%0.4CS..  trans-107.3140.6177.8-60.7164.6000111.9V1311 A1337 Y1338 Y1348 A1391 D1392 D1393V1311-I1346 HydrophobicContact CG1-CD1 3.91Å; V1311-I1346 HydrophobicContact CG1-CG1 4.19Å; V1311-I1346 HydrophobicContact CG1-CG2 4.2Å; A1337-I1346 HydrophobicContact CB-CB 4.4Å; A1337-I1346 HydrophobicContact CB-CD1 4.28Å; A1337-I1346 HydrophobicContact CB-CG2 4.24Å; A1337-I1346 VanDerWaalsContact O-CD1 3.23Å; A1337-I1346 WeakPolarHBondContact O-CD1 3.3Å; Y1338-I1346 VanDerWaalsContact C-CD1 3.49Å; Y1338-I1346 VanDerWaalsContact CA-CD1 3.4Å; Y1338-I1346 WeakPolarHBondContact O-CD1 3.42Å; I1346-Y1348 HydrophobicContact CG2-CE1 4.27Å; I1346-Y1348 HydrophobicContact CG2-CE2 4.43Å; I1346-A1391 HydrophobicContact CG2-CB 3.89Å; I1346-D1392 CarbonylContact C-O 3.59Å; I1346-D1392 VanDerWaalsContact CA-O 3.29Å; I1346-D1392 WeakPolarHBondContact CA-O 3.35Å; I1346-D1392 WeakPolarHBondContact CG2-O 3.13Å; I1346-D1393 HydrophobicContact CG1-CB 4.09Å
1347T77.8Confident72.8Confident68.8 Ų68.876.9 Ų76.942%0.42240%0.399SS..EExtended strand (participates in β ladder)trans-124146.3179.748.90000112.9A1366 A1391 D1392T1347-A1366 CarbonylContact C-O 3.54Å; T1347-A1366 VanDerWaalsContact CA-O 3.32Å; T1347-A1366 WeakPolarHBondContact CA-O 3.3Å; T1347-A1366 HydrophobicContact CG2-CB 4.35Å; T1347-A1391 VanDerWaalsContact O-CA 3.3Å; T1347-A1391 WeakPolarHBondContact O-CA 3.34Å; T1347-D1392 PolarHBondContact N-O 3.07Å; T1347-D1392 PolarHBondContact O-N 2.97Å; T1347-D1392 VanDerWaalsContact O-N 3.09Å; T1347-D1392 PolarHBondContact OG1-O 2.94Å
1348Y84.3Confident72.8Confident28.6 Ų28.676.1 Ų76.111%0.11239%0.392CS..EExtended strand (participates in β ladder)trans-110.9139.5177.8-53.1-78.5000112.7F1313 V1335 Q1336 A1337 I1346 I1364 A1366 G1369 V1390 A1391F1313-Y1348 HydrophobicContact CD1-CE1 4.29Å; F1313-Y1348 AromaticContact CE1-CD1 3.65Å; F1313-Y1348 HydrophobicContact CE1-CD1 3.99Å; F1313-Y1348 AromaticContact CE1-CE1 3.79Å; F1313-Y1348 HydrophobicContact CE1-CE1 3.91Å; F1313-Y1348 AromaticContact CZ-CD1 3.92Å; F1313-Y1348 HydrophobicContact CZ-CD1 4.19Å; F1313-Y1348 HydrophobicContact CZ-CE1 4.28Å; V1335-Y1348 HydrophobicContact CG2-CD1 3.99Å; V1335-Y1348 HydrophobicContact CG2-CD2 4.14Å; V1335-Y1348 HydrophobicContact CG2-CE1 4.22Å; V1335-Y1348 HydrophobicContact CG2-CG 3.99Å; Q1336-Y1348 VanDerWaalsContact C-OH 3.25Å; Q1336-Y1348 VanDerWaalsContact CA-OH 3.27Å; Q1336-Y1348 WeakPolarHBondContact CA-OH 3.29Å; A1337-Y1348 HydrophobicContact CB-CE1 3.93Å; A1337-Y1348 WeakPolarHBondContact CB-OH 3.19Å; A1337-Y1348 PolarHBondContact N-OH 3.06Å; A1337-Y1348 VanDerWaalsContact N-OH 3.13Å; I1346-Y1348 HydrophobicContact CG2-CE1 4.27Å; I1346-Y1348 HydrophobicContact CG2-CE2 4.43Å; Y1348-I1364 WeakPolarHBondContact O-CG2 3.29Å; Y1348-A1366 WeakPolarHBondContact CD2-O 3.4Å; Y1348-A1366 PolarHBondContact N-O 3.03Å; Y1348-A1366 VanDerWaalsContact O-CA 3.3Å; Y1348-A1366 WeakPolarHBondContact O-CA 3.15Å; Y1348-A1366 WeakPolarHBondContact O-CB 3.3Å; Y1348-G1369 VanDerWaalsContact CD2-N 3.3Å; Y1348-V1390 CarbonylContact C-O 3.36Å; Y1348-V1390 VanDerWaalsContact CA-O 3.22Å; Y1348-V1390 WeakPolarHBondContact CA-O 3.25Å; Y1348-A1391 HydrophobicContact CD1-CB 4.09Å; Y1348-A1391 HydrophobicContact CE1-CB 4.03Å
1349R87.1Confident73.3Confident98.2 Ų98.273.3 Ų73.337%0.37138%0.382SS..EExtended strand (participates in β ladder)trans-148.1160.2174.859.2-178.5169.583.1-4.3112.5V1389 V1390 D1392 D1399R1349-V1389 CarbonylContact O-C 3.47Å; R1349-V1389 WeakPolarHBondContact O-CA 3.28Å; R1349-V1389 WeakPolarHBondContact O-CG1 3.27Å; R1349-V1390 HydrophobicContact CG-CB 3.91Å; R1349-V1390 HydrophobicContact CG-CG1 4.24Å; R1349-V1390 HydrophobicContact CG-CG2 4.33Å; R1349-V1390 PolarHBondContact N-O 3.19Å; R1349-V1390 VanDerWaalsContact N-O 3.08Å; R1349-V1390 VanDerWaalsContact NH1-CG2 3.28Å; R1349-V1390 PolarHBondContact O-N 2.98Å; R1349-D1392 IonicContact CZ-OD2 3.15Å; R1349-D1392 IonicContact NE-OD2 3.15Å; R1349-D1392 PolarHBondContact NE-OD2 3.39Å; R1349-D1392 IonicContact NH2-OD2 3.67Å; R1349-D1392 PolarHBondContact NH2-OD2 3.24Å; R1349-D1399 IonicContact CZ-OD1 3.01Å; R1349-D1399 IonicContact CZ-OD2 3.17Å; R1349-D1399 VanDerWaalsContact CZ-OD2 3.24Å; R1349-D1399 IonicContact NE-OD2 3.55Å; R1349-D1399 PolarHBondContact NE-OD2 2.81Å; R1349-D1399 IonicContact NH1-OD1 3.51Å; R1349-D1399 IonicContact NH1-OD2 3.27Å; R1349-D1399 PolarHBondContact NH1-OD2 2.82Å; R1349-D1399 IonicContact NH2-OD1 3.07Å; R1349-D1399 PolarHBondContact NH2-OD1 2.78Å; R1349-D1399 IonicContact NH2-OD2 3.47Å; R1349-D1399 PolarHBondContact NH2-OD2 3.04Å
1350F85.7Confident74Confident32 Ų3274.8 Ų74.814%0.1440%0.396CS..EExtended strand (participates in β ladder)trans-71.2141163.9-75.6-37.2000110.2T1354 K1359 F1362 I1364 I1371 L1387 T1388 V1389F1350-T1354 HydrophobicContact CB-CG2 4.37Å; F1350-T1354 HydrophobicContact CG-CG2 4.35Å; F1350-K1359 HydrophobicContact CB-CG 4.36Å; F1350-K1359 HydrophobicContact CD2-CG 4.14Å; F1350-F1362 HydrophobicContact CE2-CB 4.3Å; F1350-F1362 WeakPolarHBondContact CE2-O 3.22Å; F1350-F1362 HydrophobicContact CZ-CB 4.28Å; F1350-I1364 HydrophobicContact CB-CG2 4.06Å; F1350-I1364 HydrophobicContact CD1-CB 4.13Å; F1350-I1364 HydrophobicContact CD1-CD1 3.89Å; F1350-I1364 HydrophobicContact CD1-CG1 4.26Å; F1350-I1364 HydrophobicContact CD1-CG2 4.02Å; F1350-I1364 VanDerWaalsContact CD1-CG2 3.46Å; F1350-I1364 HydrophobicContact CD2-CB 4.08Å; F1350-I1364 HydrophobicContact CD2-CG2 3.93Å; F1350-I1364 HydrophobicContact CE1-CB 3.91Å; F1350-I1364 HydrophobicContact CE1-CD1 3.72Å; F1350-I1364 VanDerWaalsContact CE1-CD1 3.45Å; F1350-I1364 HydrophobicContact CE1-CG1 4.26Å; F1350-I1364 HydrophobicContact CE1-CG2 4.09Å; F1350-I1364 HydrophobicContact CE2-CB 4.05Å; F1350-I1364 HydrophobicContact CE2-CG2 4.03Å; F1350-I1364 HydrophobicContact CG-CB 4.16Å; F1350-I1364 HydrophobicContact CG-CG2 3.92Å; F1350-I1364 HydrophobicContact CZ-CB 3.74Å; F1350-I1364 HydrophobicContact CZ-CD1 4.3Å; F1350-I1364 HydrophobicContact CZ-CG1 4.49Å; F1350-I1364 HydrophobicContact CZ-CG2 4.09Å; F1350-I1371 HydrophobicContact CE1-CD1 4Å; F1350-I1371 HydrophobicContact CE1-CG1 4.22Å; F1350-I1371 HydrophobicContact CZ-CD1 4.24Å; F1350-I1371 HydrophobicContact CZ-CG1 4.12Å; F1350-I1371 HydrophobicContact CZ-CG2 4.17Å; F1350-L1387 HydrophobicContact CD1-CB 4.17Å; F1350-L1387 HydrophobicContact CD1-CD2 4.26Å; F1350-L1387 HydrophobicContact CD2-CD2 4.34Å; F1350-L1387 HydrophobicContact CE1-CB 3.92Å; F1350-L1387 HydrophobicContact CE1-CD1 3.84Å; F1350-L1387 HydrophobicContact CE1-CD2 4.04Å; F1350-L1387 HydrophobicContact CE1-CG 4.12Å; F1350-L1387 HydrophobicContact CE2-CD1 4.45Å; F1350-L1387 HydrophobicContact CE2-CD2 4.11Å; F1350-L1387 HydrophobicContact CZ-CB 4.24Å; F1350-L1387 HydrophobicContact CZ-CD1 3.85Å; F1350-L1387 HydrophobicContact CZ-CD2 3.98Å; F1350-L1387 HydrophobicContact CZ-CG 4.26Å; F1350-T1388 CarbonylContact C-O 3.52Å; F1350-T1388 VanDerWaalsContact CA-O 3.25Å; F1350-T1388 WeakPolarHBondContact CA-O 3.34Å; F1350-T1388 WeakPolarHBondContact CD1-O 3.26Å; F1350-T1388 VanDerWaalsContact CG-O 3.29Å; F1350-T1388 WeakPolarHBondContact CG-O 3.21Å; F1350-V1389 HydrophobicContact CD1-CG2 3.82Å; F1350-V1389 HydrophobicContact CE1-CG2 3.96Å
1351D80.8Confident74.9Confident25.4 Ų25.470.7 Ų70.714%0.13638%0.375CS..  trans-68.5157.1175.1168.653.9000112.3Y1353 T1354 K1359 T1388 V1390 T1401D1351-Y1353 VanDerWaalsContact C-N 3.3Å; D1351-Y1353 PolarHBondContact O-N 3.18Å; D1351-Y1353 WeakPolarHBondContact OD2-CA 3.2Å; D1351-Y1353 VanDerWaalsContact OD2-CB 3.22Å; D1351-Y1353 WeakPolarHBondContact OD2-CB 3.36Å; D1351-Y1353 WeakPolarHBondContact OD2-CD2 3.37Å; D1351-Y1353 PolarHBondContact OD2-N 3.03Å; D1351-Y1353 VanDerWaalsContact OD2-N 3.14Å; D1351-T1354 WeakPolarHBondContact O-CB 3.4Å; D1351-T1354 PolarHBondContact O-N 2.95Å; D1351-T1354 VanDerWaalsContact O-N 3.15Å; D1351-T1354 PolarHBondContact O-OG1 3.15Å; D1351-T1354 PolarHBondContact OD2-N 3.15Å; D1351-K1359 VanDerWaalsContact O-CE 3.27Å; D1351-K1359 WeakPolarHBondContact O-CE 3.29Å; D1351-K1359 PolarHBondContact O-NZ 2.95Å; D1351-T1388 HydrophobicContact CB-CG2 3.7Å; D1351-T1388 VanDerWaalsContact CB-O 3.3Å; D1351-T1388 WeakPolarHBondContact CB-O 3.34Å; D1351-T1388 VanDerWaalsContact CB-OG1 3.29Å; D1351-T1388 WeakPolarHBondContact CB-OG1 3.28Å; D1351-T1388 VanDerWaalsContact N-C 3.33Å; D1351-T1388 PolarHBondContact N-O 3.12Å; D1351-T1388 PolarHBondContact O-OG1 3.28Å; D1351-T1388 WeakPolarHBondContact OD2-CB 3.42Å; D1351-T1388 PolarHBondContact OD2-OG1 3.16Å; D1351-T1388 VanDerWaalsContact OD2-OG1 3.07Å; D1351-V1390 HydrophobicContact CB-CG2 3.69Å; D1351-V1390 WeakPolarHBondContact OD1-CG2 3.29Å; D1351-T1401 HydrophobicContact CB-CG2 4.44Å
1352A75.5Confident76Confident60 Ų6068.6 Ų68.650%0.49636%0.364SS..THydrogen-bonded Turntrans-53.9-44.3178.300000112.7T1354 K1359A1352-T1354 VanDerWaalsContact C-N 3.3Å; A1352-T1354 PolarHBondContact O-N 3.05Å; A1352-T1354 VanDerWaalsContact O-N 3.12Å; A1352-K1359 PolarHBondContact O-NZ 3.03Å
1353Y71.1Confident77.3Confident182.2 Ų182.268.9 Ų68.972%0.71536%0.36SS*.THydrogen-bonded Turntrans-81-0.6-172.1-53.4-75.1000114.7D1351 S1355D1351-Y1353 VanDerWaalsContact C-N 3.3Å; D1351-Y1353 PolarHBondContact O-N 3.18Å; D1351-Y1353 WeakPolarHBondContact OD2-CA 3.2Å; D1351-Y1353 VanDerWaalsContact OD2-CB 3.22Å; D1351-Y1353 WeakPolarHBondContact OD2-CB 3.36Å; D1351-Y1353 WeakPolarHBondContact OD2-CD2 3.37Å; D1351-Y1353 PolarHBondContact OD2-N 3.03Å; D1351-Y1353 VanDerWaalsContact OD2-N 3.14Å; Y1353-S1355 PolarHBondContact O-N 2.91Å; Y1353-S1355 VanDerWaalsContact O-N 3.17Å
1354T77.4Confident78.7Confident6.2 Ų6.264.1 Ų64.14%0.03834%0.335CS..SBendtrans-63.8128.9169.8-65.70000110.2F1350 D1351 A1352 A1356 A1358 K1359 T1386 L1387 T1388F1350-T1354 HydrophobicContact CB-CG2 4.37Å; F1350-T1354 HydrophobicContact CG-CG2 4.35Å; D1351-T1354 WeakPolarHBondContact O-CB 3.4Å; D1351-T1354 PolarHBondContact O-N 2.95Å; D1351-T1354 VanDerWaalsContact O-N 3.15Å; D1351-T1354 PolarHBondContact O-OG1 3.15Å; D1351-T1354 PolarHBondContact OD2-N 3.15Å; A1352-T1354 VanDerWaalsContact C-N 3.3Å; A1352-T1354 PolarHBondContact O-N 3.05Å; A1352-T1354 VanDerWaalsContact O-N 3.12Å; T1354-A1356 PolarHBondContact O-N 2.79Å; T1354-A1358 HydrophobicContact CG2-CB 4.25Å; T1354-K1359 HydrophobicContact CG2-CD 4.03Å; T1354-K1359 HydrophobicContact CG2-CG 4.03Å; T1354-K1359 WeakPolarHBondContact O-CD 3.08Å; T1354-K1359 VanDerWaalsContact O-CE 3.24Å; T1354-K1359 WeakPolarHBondContact O-CE 3.32Å; T1354-K1359 PolarHBondContact O-NZ 3.14Å; T1354-T1386 WeakPolarHBondContact CG2-O 3.31Å; T1354-L1387 HydrophobicContact CG2-CB 4.32Å; T1354-L1387 HydrophobicContact CG2-CD2 3.6Å; T1354-L1387 HydrophobicContact CG2-CG 4.47Å; T1354-L1387 VanDerWaalsContact OG1-CA 3.29Å; T1354-L1387 WeakPolarHBondContact OG1-CA 3.32Å; T1354-T1388 WeakPolarHBondContact OG1-CA 3.43Å; T1354-T1388 WeakPolarHBondContact OG1-CB 3.3Å; T1354-T1388 PolarHBondContact OG1-N 3.1Å; T1354-T1388 VanDerWaalsContact OG1-N 3.11Å; T1354-T1388 PolarHBondContact OG1-O 3.2Å; T1354-T1388 VanDerWaalsContact OG1-O 3.09Å; T1354-T1388 PolarHBondContact OG1-OG1 2.8Å
1355S75Confident80Confident42.4 Ų42.461.5 Ų61.530%0.29732%0.321SS..  trans-61.6147.4-168.777.40000113.5N648 Y1353 Q1357 A1358 K1359N648-S1355 WeakPolarHBondContact ND2-CB 3.4Å; N648-S1355 PolarHBondContact ND2-OG 2.92Å; N648-S1355 VanDerWaalsContact ND2-OG 3.09Å; Y1353-S1355 PolarHBondContact O-N 2.91Å; Y1353-S1355 VanDerWaalsContact O-N 3.17Å; S1355-Q1357 VanDerWaalsContact C-N 3.28Å; S1355-Q1357 PolarHBondContact O-N 3.14Å; S1355-Q1357 VanDerWaalsContact O-N 3.09Å; S1355-A1358 WeakPolarHBondContact O-CB 3.49Å; S1355-A1358 PolarHBondContact O-N 3.1Å; S1355-A1358 VanDerWaalsContact O-N 3.12Å; S1355-A1358 WeakPolarHBondContact OG-CB 3.45Å; S1355-A1358 PolarHBondContact OG-N 2.99Å; S1355-K1359 WeakPolarHBondContact O-CD 3.45Å; S1355-K1359 WeakPolarHBondContact O-CG 3.28Å; S1355-K1359 PolarHBondContact O-N 2.94Å; S1355-K1359 VanDerWaalsContact O-N 3.08Å
1356A76.9Confident80.8Confident82.4 Ų82.456.7 Ų56.768%0.68131%0.307SS*.Hα-helixtrans-62.3-36.1-177.200000112.7T1354 A1358 K1359 A1360T1354-A1356 PolarHBondContact O-N 2.79Å; A1356-A1358 PolarHBondContact O-N 2.62Å; A1356-K1359 CarbonylContact O-C 3.45Å; A1356-K1359 PolarHBondContact O-N 3.01Å; A1356-K1359 VanDerWaalsContact O-N 3.11Å; A1356-A1360 PolarHBondContact O-N 3.13Å; A1356-A1360 VanDerWaalsContact O-N 3.1Å
1357Q75.8Confident81Confident119.6 Ų119.661.5 Ų61.556%0.55933%0.332SS*.Hα-helixtrans-62.2-46173.9-64.6164.3-27.100111.1N648 S1355 K1359 A1360 L1361 Y1385N648-Q1357 PolarHBondContact ND2-OE1 3.38Å; N648-Q1357 PolarHBondContact OD1-NE2 3.27Å; N648-Q1357 PolarHBondContact OD1-OE1 3.35Å; S1355-Q1357 VanDerWaalsContact C-N 3.28Å; S1355-Q1357 PolarHBondContact O-N 3.14Å; S1355-Q1357 VanDerWaalsContact O-N 3.09Å; Q1357-K1359 VanDerWaalsContact C-N 3.31Å; Q1357-K1359 PolarHBondContact O-N 3.15Å; Q1357-A1360 WeakPolarHBondContact O-CA 3.27Å; Q1357-A1360 WeakPolarHBondContact O-CB 3.32Å; Q1357-A1360 PolarHBondContact O-N 3.09Å; Q1357-A1360 VanDerWaalsContact O-N 3.09Å; Q1357-L1361 WeakPolarHBondContact O-CG 3.21Å; Q1357-L1361 PolarHBondContact O-N 3.23Å; Q1357-L1361 VanDerWaalsContact O-N 3.16Å; Q1357-Y1385 VanDerWaalsContact C-CD1 3.42Å; Q1357-Y1385 HydrophobicContact CB-CD1 3.58Å; Q1357-Y1385 HydrophobicContact CB-CE1 4.01Å; Q1357-Y1385 HydrophobicContact CG-CE1 4.49Å
1358A78.1Confident81.1Confident0 Ų060.8 Ų60.80%033%0.328CS..Hα-helixtrans-65.5-37.8176.900000112.3T1354 S1355 A1356 A1360 L1361 F1362 Y1385 T1386 L1387T1354-A1358 HydrophobicContact CG2-CB 4.25Å; S1355-A1358 WeakPolarHBondContact O-CB 3.49Å; S1355-A1358 PolarHBondContact O-N 3.1Å; S1355-A1358 VanDerWaalsContact O-N 3.12Å; S1355-A1358 WeakPolarHBondContact OG-CB 3.45Å; S1355-A1358 PolarHBondContact OG-N 2.99Å; A1356-A1358 PolarHBondContact O-N 2.62Å; A1358-A1360 VanDerWaalsContact C-N 3.3Å; A1358-A1360 PolarHBondContact O-N 3.05Å; A1358-L1361 CarbonylContact O-C 3.51Å; A1358-L1361 WeakPolarHBondContact O-CA 3.3Å; A1358-L1361 PolarHBondContact O-N 3.1Å; A1358-L1361 VanDerWaalsContact O-N 3.13Å; A1358-F1362 HydrophobicContact CB-CD2 4.28Å; A1358-F1362 HydrophobicContact CB-CE2 4.49Å; A1358-F1362 WeakPolarHBondContact O-CB 3.23Å; A1358-F1362 VanDerWaalsContact O-CD2 3.26Å; A1358-F1362 WeakPolarHBondContact O-CD2 3.33Å; A1358-F1362 PolarHBondContact O-N 3.1Å; A1358-Y1385 HydrophobicContact CB-CD1 4.17Å; A1358-Y1385 HydrophobicContact CB-CG 4.37Å; A1358-T1386 WeakPolarHBondContact CB-O 3.43Å; A1358-L1387 HydrophobicContact CB-CD2 3.77Å
1359K80Confident81Confident66.4 Ų66.459.6 Ų59.629%0.28932%0.323SS..Hα-helixtrans-68.2-21.1173-72.3176.5175157.10114.1F1350 D1351 A1352 T1354 S1355 A1356 Q1357 L1361 K1374F1350-K1359 HydrophobicContact CB-CG 4.36Å; F1350-K1359 HydrophobicContact CD2-CG 4.14Å; D1351-K1359 VanDerWaalsContact O-CE 3.27Å; D1351-K1359 WeakPolarHBondContact O-CE 3.29Å; D1351-K1359 PolarHBondContact O-NZ 2.95Å; A1352-K1359 PolarHBondContact O-NZ 3.03Å; T1354-K1359 HydrophobicContact CG2-CD 4.03Å; T1354-K1359 HydrophobicContact CG2-CG 4.03Å; T1354-K1359 WeakPolarHBondContact O-CD 3.08Å; T1354-K1359 VanDerWaalsContact O-CE 3.24Å; T1354-K1359 WeakPolarHBondContact O-CE 3.32Å; T1354-K1359 PolarHBondContact O-NZ 3.14Å; S1355-K1359 WeakPolarHBondContact O-CD 3.45Å; S1355-K1359 WeakPolarHBondContact O-CG 3.28Å; S1355-K1359 PolarHBondContact O-N 2.94Å; S1355-K1359 VanDerWaalsContact O-N 3.08Å; A1356-K1359 CarbonylContact O-C 3.45Å; A1356-K1359 PolarHBondContact O-N 3.01Å; A1356-K1359 VanDerWaalsContact O-N 3.11Å; Q1357-K1359 VanDerWaalsContact C-N 3.31Å; Q1357-K1359 PolarHBondContact O-N 3.15Å; K1359-L1361 PolarHBondContact O-N 3.13Å; K1359-K1374 PolarHBondContact O-NZ 2.82Å; K1359-K1374 VanDerWaalsContact O-NZ 3.1Å
1360A82.3Confident81Confident53.8 Ų53.856.1 Ų56.145%0.44531%0.313SS..Hα-helixtrans-75.2-35.917100000111.1A1356 Q1357 A1358 K1374 G1375A1356-A1360 PolarHBondContact O-N 3.13Å; A1356-A1360 VanDerWaalsContact O-N 3.1Å; Q1357-A1360 WeakPolarHBondContact O-CA 3.27Å; Q1357-A1360 WeakPolarHBondContact O-CB 3.32Å; Q1357-A1360 PolarHBondContact O-N 3.09Å; Q1357-A1360 VanDerWaalsContact O-N 3.09Å; A1358-A1360 VanDerWaalsContact C-N 3.3Å; A1358-A1360 PolarHBondContact O-N 3.05Å; A1360-K1374 WeakPolarHBondContact O-CB 3.27Å; A1360-K1374 WeakPolarHBondContact O-CD 3.35Å; A1360-K1374 WeakPolarHBondContact O-CE 3.42Å; A1360-K1374 VanDerWaalsContact O-CG 3.31Å; A1360-K1374 WeakPolarHBondContact O-CG 3.39Å; A1360-G1375 VanDerWaalsContact O-CA 3.26Å; A1360-G1375 WeakPolarHBondContact O-CA 3.43Å; A1360-G1375 PolarHBondContact O-N 3.09Å
1361L83Confident81.2Confident21 Ų2154.6 Ų54.611%0.1131%0.307CS..Hα-helixtrans-92.4-27.2-174.5-63.6179.1000114.7Q1357 A1358 K1359 V1373 K1374 G1375 L1376 V1377 Y1385Q1357-L1361 WeakPolarHBondContact O-CG 3.21Å; Q1357-L1361 PolarHBondContact O-N 3.23Å; Q1357-L1361 VanDerWaalsContact O-N 3.16Å; A1358-L1361 CarbonylContact O-C 3.51Å; A1358-L1361 WeakPolarHBondContact O-CA 3.3Å; A1358-L1361 PolarHBondContact O-N 3.1Å; A1358-L1361 VanDerWaalsContact O-N 3.13Å; K1359-L1361 PolarHBondContact O-N 3.13Å; L1361-V1373 CarbonylContact O-C 3.51Å; L1361-V1373 VanDerWaalsContact O-C 3.23Å; L1361-V1373 WeakPolarHBondContact O-CA 3.18Å; L1361-K1374 WeakPolarHBondContact O-CB 3.39Å; L1361-K1374 PolarHBondContact O-N 3.06Å; L1361-G1375 PolarHBondContact O-N 2.79Å; L1361-G1375 VanDerWaalsContact O-N 3.13Å; L1361-L1376 WeakPolarHBondContact CD2-O 3.33Å; L1361-V1377 HydrophobicContact CB-CG2 4.26Å; L1361-V1377 HydrophobicContact CD2-CG2 4.27Å; L1361-Y1385 HydrophobicContact CD1-CD1 4.38Å; L1361-Y1385 HydrophobicContact CD1-CD2 4.19Å; L1361-Y1385 VanDerWaalsContact CD1-CD2 3.49Å; L1361-Y1385 HydrophobicContact CD1-CE1 3.83Å; L1361-Y1385 HydrophobicContact CD1-CE2 3.57Å; L1361-Y1385 HydrophobicContact CD1-CG 4.19Å; L1361-Y1385 VanDerWaalsContact CD1-CZ 3.45Å; L1361-Y1385 VanDerWaalsContact CD1-OH 3.22Å; L1361-Y1385 WeakPolarHBondContact CD1-OH 3.34Å
1362F88.3Confident81.5Confident4.4 Ų4.454.4 Ų54.42%0.01931%0.306CS..EExtended strand (participates in β ladder)trans-127.7155.6-176.2-49.6-68.8000113.1I1322 I1332 F1350 A1358 I1371 T1372 V1373 V1377 Y1385 L1387 I1406I1322-F1362 HydrophobicContact CD1-CE1 3.92Å; I1322-F1362 HydrophobicContact CD1-CZ 4.14Å; I1332-F1362 HydrophobicContact CD1-CD1 3.33Å; I1332-F1362 VanDerWaalsContact CD1-CD1 3.45Å; I1332-F1362 HydrophobicContact CD1-CE1 3.38Å; I1332-F1362 VanDerWaalsContact CD1-CE1 3.45Å; I1332-F1362 HydrophobicContact CD1-CG 4.35Å; I1332-F1362 HydrophobicContact CD1-CZ 4.36Å; F1350-F1362 HydrophobicContact CE2-CB 4.3Å; F1350-F1362 WeakPolarHBondContact CE2-O 3.22Å; F1350-F1362 HydrophobicContact CZ-CB 4.28Å; A1358-F1362 HydrophobicContact CB-CD2 4.28Å; A1358-F1362 HydrophobicContact CB-CE2 4.49Å; A1358-F1362 WeakPolarHBondContact O-CB 3.23Å; A1358-F1362 VanDerWaalsContact O-CD2 3.26Å; A1358-F1362 WeakPolarHBondContact O-CD2 3.33Å; A1358-F1362 PolarHBondContact O-N 3.1Å; F1362-I1371 HydrophobicContact CB-CG2 4.25Å; F1362-T1372 CarbonylContact C-O 3.34Å; F1362-T1372 VanDerWaalsContact CA-O 3.24Å; F1362-T1372 WeakPolarHBondContact CA-O 3.27Å; F1362-V1373 HydrophobicContact CD1-CG2 4.32Å; F1362-V1373 HydrophobicContact CE1-CG2 4.19Å; F1362-V1377 HydrophobicContact CE1-CG2 3.98Å; F1362-V1377 HydrophobicContact CZ-CG2 4.16Å; F1362-Y1385 HydrophobicContact CD2-CG 4.48Å; F1362-Y1385 HydrophobicContact CE2-CD1 4.45Å; F1362-Y1385 AromaticContact CE2-CD2 3.68Å; F1362-Y1385 HydrophobicContact CE2-CD2 3.86Å; F1362-Y1385 HydrophobicContact CE2-CE2 4.4Å; F1362-Y1385 AromaticContact CE2-CG 3.82Å; F1362-Y1385 HydrophobicContact CE2-CG 3.89Å; F1362-Y1385 AromaticContact CZ-CD2 3.98Å; F1362-Y1385 HydrophobicContact CZ-CD2 4.17Å; F1362-Y1385 HydrophobicContact CZ-CG 4.47Å; F1362-L1387 HydrophobicContact CB-CD1 4.15Å; F1362-L1387 HydrophobicContact CB-CD2 4.41Å; F1362-L1387 HydrophobicContact CD2-CD1 4.17Å; F1362-L1387 HydrophobicContact CD2-CD2 4.16Å; F1362-L1387 HydrophobicContact CD2-CG 4.33Å; F1362-L1387 HydrophobicContact CG-CD1 4.31Å; F1362-I1406 HydrophobicContact CD1-CD1 3.97Å; F1362-I1406 HydrophobicContact CD2-CD1 3.98Å; F1362-I1406 HydrophobicContact CE1-CD1 3.73Å; F1362-I1406 HydrophobicContact CE1-CG1 3.89Å; F1362-I1406 HydrophobicContact CE1-CG2 4.04Å; F1362-I1406 HydrophobicContact CE2-CB 4.49Å; F1362-I1406 HydrophobicContact CE2-CD1 3.81Å; F1362-I1406 HydrophobicContact CE2-CG2 4.43Å; F1362-I1406 HydrophobicContact CG-CD1 4.06Å; F1362-I1406 HydrophobicContact CZ-CB 4.19Å; F1362-I1406 HydrophobicContact CZ-CD1 3.64Å; F1362-I1406 VanDerWaalsContact CZ-CD1 3.43Å; F1362-I1406 HydrophobicContact CZ-CG1 3.56Å; F1362-I1406 HydrophobicContact CZ-CG2 4Å
1363K87.6Confident81.9Confident109 Ų10951.8 Ų51.847%0.47428%0.284SS..EExtended strand (participates in β ladder)trans-134.3153.8170.964.7179.2-178.1173.30110.6I1371 T1372 V1373 K1374K1363-I1371 CarbonylContact O-C 3.37Å; K1363-I1371 VanDerWaalsContact O-CA 3.28Å; K1363-I1371 WeakPolarHBondContact O-CA 3.35Å; K1363-I1371 WeakPolarHBondContact O-CB 3.48Å; K1363-I1371 WeakPolarHBondContact O-CG1 3.45Å; K1363-I1371 VanDerWaalsContact O-CG2 3.25Å; K1363-I1371 WeakPolarHBondContact O-CG2 3.24Å; K1363-T1372 WeakPolarHBondContact CE-OG1 3.34Å; K1363-T1372 WeakPolarHBondContact CG-OG1 3.22Å; K1363-T1372 PolarHBondContact N-O 3.11Å; K1363-T1372 PolarHBondContact O-N 3.15Å; K1363-T1372 VanDerWaalsContact O-O 3.12Å; K1363-V1373 WeakPolarHBondContact CE-O 2.94Å; K1363-K1374 HydrophobicContact CB-CB 3.94Å; K1363-K1374 HydrophobicContact CB-CD 4.09Å; K1363-K1374 HydrophobicContact CB-CG 4.18Å; K1363-K1374 HydrophobicContact CD-CB 4.19Å; K1363-K1374 HydrophobicContact CD-CG 4.28Å; K1363-K1374 HydrophobicContact CG-CB 4.02Å; K1363-K1374 HydrophobicContact CG-CG 4.41Å
1364I89Confident82.4Confident31.2 Ų31.248.8 Ų48.816%0.1627%0.274CS..EExtended strand (participates in β ladder)trans-113.8145.7168.8-168.3164.5000110.4V1335 Y1348 F1350 A1366 G1369 V1370 I1371 V1389V1335-I1364 HydrophobicContact CG2-CD1 3.91Å; Y1348-I1364 WeakPolarHBondContact O-CG2 3.29Å; F1350-I1364 HydrophobicContact CB-CG2 4.06Å; F1350-I1364 HydrophobicContact CD1-CB 4.13Å; F1350-I1364 HydrophobicContact CD1-CD1 3.89Å; F1350-I1364 HydrophobicContact CD1-CG1 4.26Å; F1350-I1364 HydrophobicContact CD1-CG2 4.02Å; F1350-I1364 VanDerWaalsContact CD1-CG2 3.46Å; F1350-I1364 HydrophobicContact CD2-CB 4.08Å; F1350-I1364 HydrophobicContact CD2-CG2 3.93Å; F1350-I1364 HydrophobicContact CE1-CB 3.91Å; F1350-I1364 HydrophobicContact CE1-CD1 3.72Å; F1350-I1364 VanDerWaalsContact CE1-CD1 3.45Å; F1350-I1364 HydrophobicContact CE1-CG1 4.26Å; F1350-I1364 HydrophobicContact CE1-CG2 4.09Å; F1350-I1364 HydrophobicContact CE2-CB 4.05Å; F1350-I1364 HydrophobicContact CE2-CG2 4.03Å; F1350-I1364 HydrophobicContact CG-CB 4.16Å; F1350-I1364 HydrophobicContact CG-CG2 3.92Å; F1350-I1364 HydrophobicContact CZ-CB 3.74Å; F1350-I1364 HydrophobicContact CZ-CD1 4.3Å; F1350-I1364 HydrophobicContact CZ-CG1 4.49Å; F1350-I1364 HydrophobicContact CZ-CG2 4.09Å; I1364-A1366 PolarHBondContact O-N 3.38Å; I1364-G1369 WeakPolarHBondContact CG1-O 3.21Å; I1364-V1370 CarbonylContact C-O 3.45Å; I1364-V1370 VanDerWaalsContact CA-O 3.28Å; I1364-V1370 WeakPolarHBondContact CA-O 3.38Å; I1364-I1371 HydrophobicContact CB-CG1 4.09Å; I1364-I1371 HydrophobicContact CD1-CD1 4.31Å; I1364-I1371 HydrophobicContact CD1-CG1 4Å; I1364-I1371 HydrophobicContact CG1-CD1 4.49Å; I1364-I1371 HydrophobicContact CG1-CG1 3.93Å; I1364-V1389 HydrophobicContact CD1-CB 4.38Å; I1364-V1389 HydrophobicContact CD1-CG1 3.64Å; I1364-V1389 VanDerWaalsContact CD1-CG1 3.46Å; I1364-V1389 HydrophobicContact CD1-CG2 3.89Å
1365D85Confident82.5Confident70.6 Ų70.649.2 Ų49.238%0.37828%0.28SS..  trans-84127.1169.7-178.9-86.8000110.7I1367 T1368 G1369 V1370D1365-I1367 VanDerWaalsContact C-N 3.3Å; D1365-I1367 PolarHBondContact O-N 2.91Å; D1365-I1367 VanDerWaalsContact O-N 3.13Å; D1365-I1367 PolarHBondContact OD1-N 2.98Å; D1365-I1367 VanDerWaalsContact OD1-N 3.14Å; D1365-T1368 VanDerWaalsContact CB-OG1 3.29Å; D1365-T1368 WeakPolarHBondContact CB-OG1 3.35Å; D1365-T1368 VanDerWaalsContact CG-OG1 3.25Å; D1365-T1368 WeakPolarHBondContact OD1-CA 3.4Å; D1365-T1368 WeakPolarHBondContact OD1-CB 3.32Å; D1365-T1368 PolarHBondContact OD1-N 3.07Å; D1365-T1368 PolarHBondContact OD1-OG1 2.83Å; D1365-G1369 VanDerWaalsContact O-CA 3.22Å; D1365-G1369 WeakPolarHBondContact O-CA 3.31Å; D1365-G1369 PolarHBondContact O-N 3.05Å; D1365-V1370 HydrophobicContact CB-CB 4.32Å; D1365-V1370 WeakPolarHBondContact CB-O 3.16Å; D1365-V1370 PolarHBondContact N-O 3Å
1366A82.1Confident82.7Confident49.8 Ų49.853.3 Ų53.341%0.41230%0.298SS..THydrogen-bonded Turntrans-74.7-16.9-169.500000114.9T1347 Y1348 I1364T1347-A1366 CarbonylContact C-O 3.54Å; T1347-A1366 VanDerWaalsContact CA-O 3.32Å; T1347-A1366 WeakPolarHBondContact CA-O 3.3Å; T1347-A1366 HydrophobicContact CG2-CB 4.35Å; Y1348-A1366 WeakPolarHBondContact CD2-O 3.4Å; Y1348-A1366 PolarHBondContact N-O 3.03Å; Y1348-A1366 VanDerWaalsContact O-CA 3.3Å; Y1348-A1366 WeakPolarHBondContact O-CA 3.15Å; Y1348-A1366 WeakPolarHBondContact O-CB 3.3Å; I1364-A1366 PolarHBondContact O-N 3.38Å
1367I77.8Confident82.9Confident138.6 Ų138.649.6 Ų49.671%0.71127%0.267SS*.THydrogen-bonded Turntrans-105.7-37.4-176.5-58173000110.6D1365D1365-I1367 VanDerWaalsContact C-N 3.3Å; D1365-I1367 PolarHBondContact O-N 2.91Å; D1365-I1367 VanDerWaalsContact O-N 3.13Å; D1365-I1367 PolarHBondContact OD1-N 2.98Å; D1365-I1367 VanDerWaalsContact OD1-N 3.14Å
1368T81.3Confident83.1Confident55.8 Ų55.845.7 Ų45.734%0.34225%0.25SS..THydrogen-bonded Turntrans-101.7-23.2-174.765.70000113.5R1334 D1365 V1370R1334-T1368 VanDerWaalsContact CD-O 3.29Å; R1334-T1368 WeakPolarHBondContact CD-O 3.28Å; R1334-T1368 WeakPolarHBondContact CG-O 3.34Å; R1334-T1368 PolarHBondContact NE-O 3Å; R1334-T1368 PolarHBondContact NH2-O 3.07Å; D1365-T1368 VanDerWaalsContact CB-OG1 3.29Å; D1365-T1368 WeakPolarHBondContact CB-OG1 3.35Å; D1365-T1368 VanDerWaalsContact CG-OG1 3.25Å; D1365-T1368 WeakPolarHBondContact OD1-CA 3.4Å; D1365-T1368 WeakPolarHBondContact OD1-CB 3.32Å; D1365-T1368 PolarHBondContact OD1-N 3.07Å; D1365-T1368 PolarHBondContact OD1-OG1 2.83Å; T1368-V1370 VanDerWaalsContact C-N 3.28Å; T1368-V1370 PolarHBondContact O-N 3.09Å; T1368-V1370 VanDerWaalsContact OG1-CG2 3.27Å; T1368-V1370 WeakPolarHBondContact OG1-CG2 3.45Å; T1368-V1370 PolarHBondContact OG1-N 3.4Å
1369G81.6Confident83.3Confident1.6 Ų1.648.7 Ų48.72%0.01626%0.262CS..  trans83.613.2179.300000115.8R1334 V1335 Y1348 I1364 D1365 I1371R1334-G1369 CarbonylContact C-O 2.91Å; R1334-G1369 WeakPolarHBondContact CA-O 3.4Å; V1335-G1369 WeakPolarHBondContact CG2-O 3.39Å; V1335-G1369 PolarHBondContact N-O 2.98Å; V1335-G1369 VanDerWaalsContact N-O 3.09Å; Y1348-G1369 VanDerWaalsContact CD2-N 3.3Å; I1364-G1369 WeakPolarHBondContact CG1-O 3.21Å; D1365-G1369 VanDerWaalsContact O-CA 3.22Å; D1365-G1369 WeakPolarHBondContact O-CA 3.31Å; D1365-G1369 PolarHBondContact O-N 3.05Å; G1369-I1371 PolarHBondContact O-N 2.64Å
1370V87.6Confident83.3Confident24.8 Ų24.848.9 Ų48.915%0.1526%0.263CS..  trans-84.5130-174.6-1770000112.6E1331 V1333 R1334 I1364 D1365 T1368 T1372E1331-V1370 HydrophobicContact CB-CG1 3.96Å; E1331-V1370 VanDerWaalsContact CD-CG1 3.43Å; E1331-V1370 HydrophobicContact CG-CG1 3.89Å; E1331-V1370 WeakPolarHBondContact OE1-CG1 3.28Å; V1333-V1370 CarbonylContact O-C 3.54Å; V1333-V1370 VanDerWaalsContact O-CA 3.28Å; V1333-V1370 WeakPolarHBondContact O-CA 3.1Å; R1334-V1370 HydrophobicContact CB-CG2 4.1Å; R1334-V1370 HydrophobicContact CG-CG2 3.82Å; R1334-V1370 VanDerWaalsContact NE-CG2 3.29Å; I1364-V1370 CarbonylContact C-O 3.45Å; I1364-V1370 VanDerWaalsContact CA-O 3.28Å; I1364-V1370 WeakPolarHBondContact CA-O 3.38Å; D1365-V1370 HydrophobicContact CB-CB 4.32Å; D1365-V1370 WeakPolarHBondContact CB-O 3.16Å; D1365-V1370 PolarHBondContact N-O 3Å; T1368-V1370 VanDerWaalsContact C-N 3.28Å; T1368-V1370 PolarHBondContact O-N 3.09Å; T1368-V1370 VanDerWaalsContact OG1-CG2 3.27Å; T1368-V1370 WeakPolarHBondContact OG1-CG2 3.45Å; T1368-V1370 PolarHBondContact OG1-N 3.4Å; V1370-T1372 HydrophobicContact CG1-CG2 4.09Å; V1370-T1372 PolarHBondContact O-N 3.49Å
1371I88.3Confident82.9Confident2.4 Ų2.453.4 Ų53.41%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-97.3134.5178.5-59.5173.2000111E1331 I1332 V1333 F1350 F1362 K1363 I1364 G1369 L1387 V1389 V1404 I1406E1331-I1371 CarbonylContact C-O 3.5Å; I1332-I1371 WeakPolarHBondContact CA-O 3.46Å; I1332-I1371 HydrophobicContact CB-CB 4.16Å; I1332-I1371 HydrophobicContact CB-CG2 4.29Å; I1332-I1371 WeakPolarHBondContact CB-O 3.5Å; I1332-I1371 HydrophobicContact CD1-CB 3.92Å; I1332-I1371 HydrophobicContact CD1-CG2 4.16Å; I1332-I1371 HydrophobicContact CG1-CB 3.92Å; I1332-I1371 HydrophobicContact CG1-CG2 4.14Å; I1332-I1371 PolarHBondContact N-O 3.01Å; V1333-I1371 HydrophobicContact CG1-CB 4.18Å; V1333-I1371 HydrophobicContact CG1-CD1 3.95Å; V1333-I1371 HydrophobicContact CG1-CG1 4.39Å; V1333-I1371 PolarHBondContact N-O 3.36Å; V1333-I1371 WeakPolarHBondContact O-CB 3.22Å; V1333-I1371 PolarHBondContact O-N 2.89Å; F1350-I1371 HydrophobicContact CE1-CD1 4Å; F1350-I1371 HydrophobicContact CE1-CG1 4.22Å; F1350-I1371 HydrophobicContact CZ-CD1 4.24Å; F1350-I1371 HydrophobicContact CZ-CG1 4.12Å; F1350-I1371 HydrophobicContact CZ-CG2 4.17Å; F1362-I1371 HydrophobicContact CB-CG2 4.25Å; K1363-I1371 CarbonylContact O-C 3.37Å; K1363-I1371 VanDerWaalsContact O-CA 3.28Å; K1363-I1371 WeakPolarHBondContact O-CA 3.35Å; K1363-I1371 WeakPolarHBondContact O-CB 3.48Å; K1363-I1371 WeakPolarHBondContact O-CG1 3.45Å; K1363-I1371 VanDerWaalsContact O-CG2 3.25Å; K1363-I1371 WeakPolarHBondContact O-CG2 3.24Å; I1364-I1371 HydrophobicContact CB-CG1 4.09Å; I1364-I1371 HydrophobicContact CD1-CD1 4.31Å; I1364-I1371 HydrophobicContact CD1-CG1 4Å; I1364-I1371 HydrophobicContact CG1-CD1 4.49Å; I1364-I1371 HydrophobicContact CG1-CG1 3.93Å; G1369-I1371 PolarHBondContact O-N 2.64Å; I1371-L1387 HydrophobicContact CD1-CD1 4.12Å; I1371-L1387 HydrophobicContact CG2-CD1 4Å; I1371-V1389 HydrophobicContact CD1-CG2 4.13Å; I1371-V1404 HydrophobicContact CD1-CB 4.11Å; I1371-V1404 HydrophobicContact CD1-CG1 4Å; I1371-V1404 HydrophobicContact CD1-CG2 3.8Å; I1371-V1404 VanDerWaalsContact CD1-CG2 3.49Å; I1371-I1406 HydrophobicContact CG2-CD1 3.99Å
1372T86.8Confident82.3Confident20.2 Ų20.253.4 Ų53.412%0.12428%0.279CS..EExtended strand (participates in β ladder)trans-140.1159.7-178.452.70000113.1G1329 T1330 E1331 F1362 K1363 V1370 K1374G1329-T1372 VanDerWaalsContact O-CG2 3.28Å; G1329-T1372 WeakPolarHBondContact O-CG2 3.14Å; T1330-T1372 CarbonylContact O-C 3.55Å; T1330-T1372 VanDerWaalsContact O-C 3.31Å; T1330-T1372 VanDerWaalsContact O-CA 3.24Å; T1330-T1372 WeakPolarHBondContact O-CA 3.31Å; T1330-T1372 WeakPolarHBondContact O-CB 3.32Å; E1331-T1372 HydrophobicContact CB-CG2 4.33Å; E1331-T1372 HydrophobicContact CG-CG2 3.86Å; F1362-T1372 CarbonylContact C-O 3.34Å; F1362-T1372 VanDerWaalsContact CA-O 3.24Å; F1362-T1372 WeakPolarHBondContact CA-O 3.27Å; K1363-T1372 WeakPolarHBondContact CE-OG1 3.34Å; K1363-T1372 WeakPolarHBondContact CG-OG1 3.22Å; K1363-T1372 PolarHBondContact N-O 3.11Å; K1363-T1372 PolarHBondContact O-N 3.15Å; K1363-T1372 VanDerWaalsContact O-O 3.12Å; V1370-T1372 HydrophobicContact CG1-CG2 4.09Å; V1370-T1372 PolarHBondContact O-N 3.49Å; T1372-K1374 PolarHBondContact O-N 3.15Å
1373V84.5Confident81.7Confident5.8 Ų5.858 Ų584%0.03530%0.303CS..EExtended strand (participates in β ladder)trans-71.6136.8175.7179.20000112.2I1322 L1326 L1328 G1329 T1330 I1332 L1361 F1362 K1363 G1375 V1377 I1406I1322-V1373 HydrophobicContact CD1-CG2 4.01Å; L1326-V1373 HydrophobicContact CB-CB 4.47Å; L1326-V1373 HydrophobicContact CB-CG1 4.36Å; L1326-V1373 HydrophobicContact CB-CG2 4.05Å; L1326-V1373 HydrophobicContact CD1-CG2 4.1Å; L1328-V1373 HydrophobicContact CD2-CG1 4.29Å; G1329-V1373 WeakPolarHBondContact CA-O 3.28Å; G1329-V1373 PolarHBondContact N-O 3.08Å; G1329-V1373 VanDerWaalsContact N-O 3.09Å; T1330-V1373 PolarHBondContact O-N 2.96Å; I1332-V1373 HydrophobicContact CD1-CG2 3.96Å; I1332-V1373 HydrophobicContact CG1-CG2 4.22Å; L1361-V1373 CarbonylContact O-C 3.51Å; L1361-V1373 VanDerWaalsContact O-C 3.23Å; L1361-V1373 WeakPolarHBondContact O-CA 3.18Å; F1362-V1373 HydrophobicContact CD1-CG2 4.32Å; F1362-V1373 HydrophobicContact CE1-CG2 4.19Å; K1363-V1373 WeakPolarHBondContact CE-O 2.94Å; V1373-G1375 VanDerWaalsContact CG1-O 3.23Å; V1373-G1375 WeakPolarHBondContact CG1-O 3.41Å; V1373-V1377 HydrophobicContact CG1-CB 4.42Å; V1373-V1377 HydrophobicContact CG1-CG2 3.96Å; V1373-V1377 HydrophobicContact CG2-CG2 4.34Å; V1373-I1406 HydrophobicContact CG1-CD1 4.37Å; V1373-I1406 HydrophobicContact CG2-CD1 4.3Å
1374K82.4Confident81.2Confident118 Ų11857.7 Ų57.751%0.51330%0.302SS..  trans-127-26.4-176.3177.7-173.5162.2-168.40115L1328 K1359 A1360 L1361 K1363 T1372L1328-K1374 VanDerWaalsContact CD2-C 3.44Å; L1328-K1374 WeakPolarHBondContact CD2-O 3.42Å; K1359-K1374 PolarHBondContact O-NZ 2.82Å; K1359-K1374 VanDerWaalsContact O-NZ 3.1Å; A1360-K1374 WeakPolarHBondContact O-CB 3.27Å; A1360-K1374 WeakPolarHBondContact O-CD 3.35Å; A1360-K1374 WeakPolarHBondContact O-CE 3.42Å; A1360-K1374 VanDerWaalsContact O-CG 3.31Å; A1360-K1374 WeakPolarHBondContact O-CG 3.39Å; L1361-K1374 WeakPolarHBondContact O-CB 3.39Å; L1361-K1374 PolarHBondContact O-N 3.06Å; K1363-K1374 HydrophobicContact CB-CB 3.94Å; K1363-K1374 HydrophobicContact CB-CD 4.09Å; K1363-K1374 HydrophobicContact CB-CG 4.18Å; K1363-K1374 HydrophobicContact CD-CB 4.19Å; K1363-K1374 HydrophobicContact CD-CG 4.28Å; K1363-K1374 HydrophobicContact CG-CB 4.02Å; K1363-K1374 HydrophobicContact CG-CG 4.41Å; T1372-K1374 PolarHBondContact O-N 3.15Å
1375G79.8Confident80.9Confident15.6 Ų15.657 Ų5716%0.16130%0.298CS..SBendtrans-120.9170.9-179.800000113.4L1328 A1360 L1361 V1373 V1377L1328-G1375 VanDerWaalsContact CD2-C 3.48Å; L1328-G1375 VanDerWaalsContact CD2-O 3.26Å; L1328-G1375 WeakPolarHBondContact CD2-O 3.38Å; A1360-G1375 VanDerWaalsContact O-CA 3.26Å; A1360-G1375 WeakPolarHBondContact O-CA 3.43Å; A1360-G1375 PolarHBondContact O-N 3.09Å; L1361-G1375 PolarHBondContact O-N 2.79Å; L1361-G1375 VanDerWaalsContact O-N 3.13Å; V1373-G1375 VanDerWaalsContact CG1-O 3.23Å; V1373-G1375 WeakPolarHBondContact CG1-O 3.41Å; G1375-V1377 VanDerWaalsContact C-N 3.25Å; G1375-V1377 PolarHBondContact O-N 3.04Å; G1375-V1377 VanDerWaalsContact O-N 3.14Å
1376L78.5Confident80.7Confident127.6 Ų127.656.1 Ų56.167%0.66830%0.295SS*.  trans-74.1120.5172.3-74.7169.4000109.7L1328 L1361 D1378L1328-L1376 HydrophobicContact CD2-CD2 4.32Å; L1328-L1376 HydrophobicContact CD2-CG 4.49Å; L1361-L1376 WeakPolarHBondContact CD2-O 3.33Å; L1376-D1378 PolarHBondContact O-N 3.08Å; L1376-D1378 VanDerWaalsContact O-N 3.17Å
1377V80.7Confident80.8Confident4.8 Ų4.853.8 Ų53.83%0.02928%0.275CS..  trans-87.6127.9174.9-1780000108.2I1322 M1323 E1324 N1325 L1361 F1362 V1373 G1375 V1408I1322-V1377 HydrophobicContact CD1-CG1 4.03Å; I1322-V1377 HydrophobicContact CD1-CG2 4.18Å; M1323-V1377 WeakPolarHBondContact O-CG2 3.34Å; E1324-V1377 CarbonylContact C-O 3.27Å; E1324-V1377 WeakPolarHBondContact CA-O 3.35Å; E1324-V1377 HydrophobicContact CB-CG1 4.3Å; E1324-V1377 VanDerWaalsContact CB-O 3.32Å; E1324-V1377 WeakPolarHBondContact CB-O 3.31Å; N1325-V1377 WeakPolarHBondContact CA-O 3.41Å; N1325-V1377 PolarHBondContact N-O 3Å; L1361-V1377 HydrophobicContact CB-CG2 4.26Å; L1361-V1377 HydrophobicContact CD2-CG2 4.27Å; F1362-V1377 HydrophobicContact CE1-CG2 3.98Å; F1362-V1377 HydrophobicContact CZ-CG2 4.16Å; V1373-V1377 HydrophobicContact CG1-CB 4.42Å; V1373-V1377 HydrophobicContact CG1-CG2 3.96Å; V1373-V1377 HydrophobicContact CG2-CG2 4.34Å; G1375-V1377 VanDerWaalsContact C-N 3.25Å; G1375-V1377 PolarHBondContact O-N 3.04Å; G1375-V1377 VanDerWaalsContact O-N 3.14Å; V1377-V1408 HydrophobicContact CG1-CB 4.19Å; V1377-V1408 HydrophobicContact CG1-CG1 3.63Å; V1377-V1408 VanDerWaalsContact CG1-CG1 3.49Å; V1377-V1408 HydrophobicContact CG1-CG2 3.75Å
1378D79.9Confident81.1Confident38.4 Ų38.448.2 Ų48.221%0.20525%0.248CC..  trans-146.2117-168.6165.2-43.8000105.6E1324 L1376 E1380 K1381 G1382E1324-D1378 VanDerWaalsContact OE2-CA 3.24Å; E1324-D1378 WeakPolarHBondContact OE2-CA 3.31Å; L1376-D1378 PolarHBondContact O-N 3.08Å; L1376-D1378 VanDerWaalsContact O-N 3.17Å; D1378-E1380 VanDerWaalsContact C-N 3.3Å; D1378-E1380 PolarHBondContact O-N 3.04Å; D1378-E1380 PolarHBondContact OD1-N 3.01Å; D1378-K1381 HydrophobicContact CB-CB 4.5Å; D1378-K1381 HydrophobicContact CB-CD 4.3Å; D1378-K1381 HydrophobicContact CB-CG 4.45Å; D1378-K1381 VanDerWaalsContact CG-NZ 3.26Å; D1378-K1381 VanDerWaalsContact O-CB 3.29Å; D1378-K1381 WeakPolarHBondContact O-CB 3.13Å; D1378-K1381 PolarHBondContact O-N 2.84Å; D1378-K1381 VanDerWaalsContact O-N 3.12Å; D1378-K1381 WeakPolarHBondContact OD1-CB 3.28Å; D1378-K1381 VanDerWaalsContact OD1-CD 3.32Å; D1378-K1381 WeakPolarHBondContact OD1-CD 3.32Å; D1378-K1381 VanDerWaalsContact OD1-CG 3.27Å; D1378-K1381 WeakPolarHBondContact OD1-CG 3.37Å; D1378-K1381 PolarHBondContact OD1-N 2.85Å; D1378-K1381 IonicContact OD1-NZ 3.32Å; D1378-K1381 PolarHBondContact OD1-NZ 2.91Å; D1378-K1381 WeakPolarHBondContact OD2-CE 3.27Å; D1378-K1381 IonicContact OD2-NZ 3.19Å; D1378-K1381 PolarHBondContact OD2-NZ 3.08Å; D1378-G1382 PolarHBondContact O-N 3.02Å
1379R83Confident81.3Confident63.4 Ų63.445.7 Ų45.724%0.23923%0.232CC..G310 helixtrans-73.2-27.7-167.7-176.3-13874.680.4-11.1112.4E1324 K1381 G1382 D1383 V1408 L1409 D1410 P1446E1324-R1379 HydrophobicContact CB-CB 4.19Å; E1324-R1379 HydrophobicContact CG-CB 4.24Å; E1324-R1379 WeakPolarHBondContact OE1-CB 3.05Å; E1324-R1379 IonicContact OE1-NE 3.75Å; E1324-R1379 VanDerWaalsContact OE2-CB 3.27Å; E1324-R1379 WeakPolarHBondContact OE2-CB 3.37Å; E1324-R1379 PolarHBondContact OE2-N 2.95Å; R1379-K1381 PolarHBondContact O-N 3.22Å; R1379-G1382 CarbonylContact O-C 3.43Å; R1379-G1382 VanDerWaalsContact O-C 3.26Å; R1379-G1382 WeakPolarHBondContact O-CA 3.32Å; R1379-G1382 PolarHBondContact O-N 3.2Å; R1379-D1383 HydrophobicContact CG-CB 3.93Å; R1379-D1383 PolarHBondContact O-N 3.11Å; R1379-D1383 VanDerWaalsContact O-N 3.17Å; R1379-V1408 HydrophobicContact CB-CB 4.32Å; R1379-V1408 HydrophobicContact CB-CG1 4.2Å; R1379-V1408 HydrophobicContact CG-CB 4.07Å; R1379-V1408 HydrophobicContact CG-CG1 4.17Å; R1379-L1409 VanDerWaalsContact CA-O 3.27Å; R1379-L1409 WeakPolarHBondContact CA-O 3.24Å; R1379-L1409 VanDerWaalsContact CB-O 3.22Å; R1379-L1409 WeakPolarHBondContact CB-O 3.45Å; R1379-L1409 PolarHBondContact N-O 3.36Å; R1379-D1410 HydrophobicContact CB-CB 3.7Å; R1379-D1410 HydrophobicContact CG-CB 3.51Å; R1379-D1410 IonicContact CZ-OD1 3.39Å; R1379-D1410 IonicContact NE-OD1 3.23Å; R1379-D1410 PolarHBondContact NE-OD1 2.9Å; R1379-D1410 IonicContact NH1-OD1 2.84Å; R1379-D1410 PolarHBondContact NH1-OD1 3.38Å; R1379-D1410 IonicContact NH1-OD2 3.55Å; R1379-D1410 IonicContact NH2-OD1 3.28Å; R1379-D1410 PolarHBondContact NH2-OD1 3.05Å; R1379-P1446 PolarHBondContact NH2-O 2.9Å
1380E79Confident81.4Confident69.8 Ų69.845.8 Ų45.833%0.32623%0.233SC..G310 helixtrans-65.5-11.7174.4-7162.9-120.200111.6D1378 N1414 P1446D1378-E1380 VanDerWaalsContact C-N 3.3Å; D1378-E1380 PolarHBondContact O-N 3.04Å; D1378-E1380 PolarHBondContact OD1-N 3.01Å; E1380-N1414 VanDerWaalsContact CG-ND2 3.25Å; E1380-N1414 WeakPolarHBondContact CG-ND2 3.35Å; E1380-N1414 PolarHBondContact OE2-ND2 3.23Å; E1380-P1446 HydrophobicContact CB-CB 4.25Å; E1380-P1446 HydrophobicContact CG-CB 3.92Å; E1380-P1446 HydrophobicContact CG-CG 3.76Å
1381K73.9Confident80.9Confident147.6 Ų147.644.8 Ų44.864%0.64223%0.227SC*.G310 helixtrans-103-31.6176.1-65.9179.3-171.469.90115.1D1378 R1379D1378-K1381 HydrophobicContact CB-CB 4.5Å; D1378-K1381 HydrophobicContact CB-CD 4.3Å; D1378-K1381 HydrophobicContact CB-CG 4.45Å; D1378-K1381 VanDerWaalsContact CG-NZ 3.26Å; D1378-K1381 VanDerWaalsContact O-CB 3.29Å; D1378-K1381 WeakPolarHBondContact O-CB 3.13Å; D1378-K1381 PolarHBondContact O-N 2.84Å; D1378-K1381 VanDerWaalsContact O-N 3.12Å; D1378-K1381 WeakPolarHBondContact OD1-CB 3.28Å; D1378-K1381 VanDerWaalsContact OD1-CD 3.32Å; D1378-K1381 WeakPolarHBondContact OD1-CD 3.32Å; D1378-K1381 VanDerWaalsContact OD1-CG 3.27Å; D1378-K1381 WeakPolarHBondContact OD1-CG 3.37Å; D1378-K1381 PolarHBondContact OD1-N 2.85Å; D1378-K1381 IonicContact OD1-NZ 3.32Å; D1378-K1381 PolarHBondContact OD1-NZ 2.91Å; D1378-K1381 WeakPolarHBondContact OD2-CE 3.27Å; D1378-K1381 IonicContact OD2-NZ 3.19Å; D1378-K1381 PolarHBondContact OD2-NZ 3.08Å; R1379-K1381 PolarHBondContact O-N 3.22Å
1382G71.3Confident80.4Confident22.8 Ų22.846.9 Ų46.924%0.23524%0.238CC..  trans174.2142.7178.300000115.6D1378 R1379 Y1385 V1408D1378-G1382 PolarHBondContact O-N 3.02Å; R1379-G1382 CarbonylContact O-C 3.43Å; R1379-G1382 VanDerWaalsContact O-C 3.26Å; R1379-G1382 WeakPolarHBondContact O-CA 3.32Å; R1379-G1382 PolarHBondContact O-N 3.2Å; G1382-Y1385 VanDerWaalsContact C-OH 3.32Å; G1382-Y1385 VanDerWaalsContact CA-OH 3.23Å; G1382-Y1385 WeakPolarHBondContact CA-OH 3.37Å; G1382-Y1385 PolarHBondContact N-OH 2.95Å; G1382-Y1385 WeakPolarHBondContact O-CE2 3.25Å; G1382-Y1385 VanDerWaalsContact O-CZ 3.23Å; G1382-Y1385 PolarHBondContact O-OH 2.92Å; G1382-V1408 VanDerWaalsContact O-CG2 3.31Å; G1382-V1408 WeakPolarHBondContact O-CG2 3.41Å
1383D75.9Confident79.6Confident100.4 Ų100.447.1 Ų47.154%0.53724%0.238SC..SBendtrans-104.2-26.8-167.263.9-17.6000116.8R1379 Y1385 T1407 V1408R1379-D1383 HydrophobicContact CG-CB 3.93Å; R1379-D1383 PolarHBondContact O-N 3.11Å; R1379-D1383 VanDerWaalsContact O-N 3.17Å; D1383-Y1385 VanDerWaalsContact C-CZ 3.41Å; D1383-Y1385 VanDerWaalsContact C-OH 3.25Å; D1383-Y1385 WeakPolarHBondContact O-CE2 3.22Å; D1383-Y1385 PolarHBondContact O-OH 3.25Å; D1383-T1407 CarbonylContact O-C 3.54Å; D1383-T1407 WeakPolarHBondContact O-CA 3.44Å; D1383-T1407 WeakPolarHBondContact O-CG2 3.27Å; D1383-V1408 PolarHBondContact O-N 2.84Å
1384F76.6Confident78.7Confident103.4 Ų103.449.3 Ų49.345%0.45426%0.262SS..EExtended strand (participates in β ladder)trans-143.3138.3-171.2-170-97.4000114.7T1386 Y1405 I1406 T1407F1384-T1386 WeakPolarHBondContact CE1-OG1 3.24Å; F1384-Y1405 AromaticContact CE1-CD1 3.63Å; F1384-Y1405 HydrophobicContact CE1-CD1 3.8Å; F1384-Y1405 HydrophobicContact CE1-CE1 4.2Å; F1384-Y1405 HydrophobicContact CE1-CG 4.45Å; F1384-Y1405 HydrophobicContact CE2-CD1 4.44Å; F1384-Y1405 AromaticContact CZ-CD1 3.58Å; F1384-Y1405 HydrophobicContact CZ-CD1 3.58Å; F1384-Y1405 VanDerWaalsContact CZ-CD1 3.42Å; F1384-Y1405 HydrophobicContact CZ-CE1 4.23Å; F1384-Y1405 AromaticContact CZ-CG 3.85Å; F1384-Y1405 HydrophobicContact CZ-CG 4.01Å; F1384-I1406 WeakPolarHBondContact CA-O 3.13Å; F1384-I1406 VanDerWaalsContact CD2-O 3.23Å; F1384-I1406 WeakPolarHBondContact CD2-O 3.32Å; F1384-I1406 WeakPolarHBondContact CE2-O 3.04Å; F1384-I1406 WeakPolarHBondContact CG-O 3.36Å; F1384-T1407 HydrophobicContact CD2-CG2 4.43Å; F1384-T1407 WeakPolarHBondContact CD2-OG1 3.32Å
1385Y82.6Confident77.8Confident16 Ų1644.5 Ų44.56%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-134.1149-172.8-57.9-72.3000114.2Q1357 A1358 L1361 F1362 G1382 D1383 Y1405 I1406 V1408Q1357-Y1385 VanDerWaalsContact C-CD1 3.42Å; Q1357-Y1385 HydrophobicContact CB-CD1 3.58Å; Q1357-Y1385 HydrophobicContact CB-CE1 4.01Å; Q1357-Y1385 HydrophobicContact CG-CE1 4.49Å; A1358-Y1385 HydrophobicContact CB-CD1 4.17Å; A1358-Y1385 HydrophobicContact CB-CG 4.37Å; L1361-Y1385 HydrophobicContact CD1-CD1 4.38Å; L1361-Y1385 HydrophobicContact CD1-CD2 4.19Å; L1361-Y1385 VanDerWaalsContact CD1-CD2 3.49Å; L1361-Y1385 HydrophobicContact CD1-CE1 3.83Å; L1361-Y1385 HydrophobicContact CD1-CE2 3.57Å; L1361-Y1385 HydrophobicContact CD1-CG 4.19Å; L1361-Y1385 VanDerWaalsContact CD1-CZ 3.45Å; L1361-Y1385 VanDerWaalsContact CD1-OH 3.22Å; L1361-Y1385 WeakPolarHBondContact CD1-OH 3.34Å; F1362-Y1385 HydrophobicContact CD2-CG 4.48Å; F1362-Y1385 HydrophobicContact CE2-CD1 4.45Å; F1362-Y1385 AromaticContact CE2-CD2 3.68Å; F1362-Y1385 HydrophobicContact CE2-CD2 3.86Å; F1362-Y1385 HydrophobicContact CE2-CE2 4.4Å; F1362-Y1385 AromaticContact CE2-CG 3.82Å; F1362-Y1385 HydrophobicContact CE2-CG 3.89Å; F1362-Y1385 AromaticContact CZ-CD2 3.98Å; F1362-Y1385 HydrophobicContact CZ-CD2 4.17Å; F1362-Y1385 HydrophobicContact CZ-CG 4.47Å; G1382-Y1385 VanDerWaalsContact C-OH 3.32Å; G1382-Y1385 VanDerWaalsContact CA-OH 3.23Å; G1382-Y1385 WeakPolarHBondContact CA-OH 3.37Å; G1382-Y1385 PolarHBondContact N-OH 2.95Å; G1382-Y1385 WeakPolarHBondContact O-CE2 3.25Å; G1382-Y1385 VanDerWaalsContact O-CZ 3.23Å; G1382-Y1385 PolarHBondContact O-OH 2.92Å; D1383-Y1385 VanDerWaalsContact C-CZ 3.41Å; D1383-Y1385 VanDerWaalsContact C-OH 3.25Å; D1383-Y1385 WeakPolarHBondContact O-CE2 3.22Å; D1383-Y1385 PolarHBondContact O-OH 3.25Å; Y1385-Y1405 CarbonylContact O-C 3.57Å; Y1385-Y1405 WeakPolarHBondContact O-CA 3.3Å; Y1385-Y1405 VanDerWaalsContact O-CD1 3.23Å; Y1385-Y1405 WeakPolarHBondContact O-CD1 3.17Å; Y1385-I1406 HydrophobicContact CD2-CB 3.98Å; Y1385-I1406 HydrophobicContact CD2-CG2 3.45Å; Y1385-I1406 VanDerWaalsContact CD2-CG2 3.45Å; Y1385-I1406 HydrophobicContact CE2-CB 4.44Å; Y1385-I1406 HydrophobicContact CE2-CG2 3.43Å; Y1385-I1406 VanDerWaalsContact CE2-CG2 3.43Å; Y1385-I1406 PolarHBondContact N-O 2.96Å; Y1385-I1406 PolarHBondContact O-N 3Å; Y1385-V1408 HydrophobicContact CD2-CG2 4.27Å; Y1385-V1408 HydrophobicContact CE2-CG2 3.93Å
1386T80.3Confident76.7Confident51.2 Ų51.248.8 Ų48.831%0.31427%0.272SS..EExtended strand (participates in β ladder)trans-129.4137.2175-50.40000111.2T1354 A1358 F1384 K1403 V1404 Y1405T1354-T1386 WeakPolarHBondContact CG2-O 3.31Å; A1358-T1386 WeakPolarHBondContact CB-O 3.43Å; F1384-T1386 WeakPolarHBondContact CE1-OG1 3.24Å; T1386-K1403 HydrophobicContact CG2-CB 4.17Å; T1386-K1403 HydrophobicContact CG2-CD 3.98Å; T1386-K1403 HydrophobicContact CG2-CG 4.07Å; T1386-V1404 CarbonylContact C-O 3.47Å; T1386-V1404 VanDerWaalsContact CA-O 3.23Å; T1386-V1404 WeakPolarHBondContact CA-O 3.3Å; T1386-V1404 WeakPolarHBondContact CG2-O 3.3Å; T1386-Y1405 HydrophobicContact CG2-CD1 3.77Å; T1386-Y1405 HydrophobicContact CG2-CE1 3.75Å; T1386-Y1405 WeakPolarHBondContact OG1-CD1 3.32Å
1387L84.8Confident75.6Confident0.8 Ų0.848 Ų480%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-122.6141.4179.8-55.1165.5000111.5F1350 T1354 A1358 F1362 I1371 K1403 V1404 I1406F1350-L1387 HydrophobicContact CD1-CB 4.17Å; F1350-L1387 HydrophobicContact CD1-CD2 4.26Å; F1350-L1387 HydrophobicContact CD2-CD2 4.34Å; F1350-L1387 HydrophobicContact CE1-CB 3.92Å; F1350-L1387 HydrophobicContact CE1-CD1 3.84Å; F1350-L1387 HydrophobicContact CE1-CD2 4.04Å; F1350-L1387 HydrophobicContact CE1-CG 4.12Å; F1350-L1387 HydrophobicContact CE2-CD1 4.45Å; F1350-L1387 HydrophobicContact CE2-CD2 4.11Å; F1350-L1387 HydrophobicContact CZ-CB 4.24Å; F1350-L1387 HydrophobicContact CZ-CD1 3.85Å; F1350-L1387 HydrophobicContact CZ-CD2 3.98Å; F1350-L1387 HydrophobicContact CZ-CG 4.26Å; T1354-L1387 HydrophobicContact CG2-CB 4.32Å; T1354-L1387 HydrophobicContact CG2-CD2 3.6Å; T1354-L1387 HydrophobicContact CG2-CG 4.47Å; T1354-L1387 VanDerWaalsContact OG1-CA 3.29Å; T1354-L1387 WeakPolarHBondContact OG1-CA 3.32Å; A1358-L1387 HydrophobicContact CB-CD2 3.77Å; F1362-L1387 HydrophobicContact CB-CD1 4.15Å; F1362-L1387 HydrophobicContact CB-CD2 4.41Å; F1362-L1387 HydrophobicContact CD2-CD1 4.17Å; F1362-L1387 HydrophobicContact CD2-CD2 4.16Å; F1362-L1387 HydrophobicContact CD2-CG 4.33Å; F1362-L1387 HydrophobicContact CG-CD1 4.31Å; I1371-L1387 HydrophobicContact CD1-CD1 4.12Å; I1371-L1387 HydrophobicContact CG2-CD1 4Å; L1387-K1403 CarbonylContact O-C 3.52Å; L1387-K1403 VanDerWaalsContact O-CA 3.3Å; L1387-K1403 WeakPolarHBondContact O-CA 3.31Å; L1387-K1403 WeakPolarHBondContact O-CB 3.15Å; L1387-K1403 WeakPolarHBondContact O-CG 3.38Å; L1387-V1404 HydrophobicContact CB-CB 4.15Å; L1387-V1404 HydrophobicContact CB-CG2 4.41Å; L1387-V1404 HydrophobicContact CD1-CB 4.12Å; L1387-V1404 HydrophobicContact CD1-CG1 4.33Å; L1387-V1404 HydrophobicContact CD1-CG2 3.61Å; L1387-V1404 PolarHBondContact N-O 2.9Å; L1387-V1404 PolarHBondContact O-N 3.08Å; L1387-I1406 HydrophobicContact CD1-CD1 3.7Å; L1387-I1406 VanDerWaalsContact CD1-CD1 3.44Å; L1387-I1406 HydrophobicContact CD1-CG1 4.38Å; L1387-I1406 HydrophobicContact CG-CD1 4.35Å
1388T83.9Confident74.4Confident21.4 Ų21.454 Ų5413%0.13130%0.3CS..EExtended strand (participates in β ladder)trans-117.8132.4174.1-19.70000110.6F1350 D1351 T1354 V1402 K1403F1350-T1388 CarbonylContact C-O 3.52Å; F1350-T1388 VanDerWaalsContact CA-O 3.25Å; F1350-T1388 WeakPolarHBondContact CA-O 3.34Å; F1350-T1388 WeakPolarHBondContact CD1-O 3.26Å; F1350-T1388 VanDerWaalsContact CG-O 3.29Å; F1350-T1388 WeakPolarHBondContact CG-O 3.21Å; D1351-T1388 HydrophobicContact CB-CG2 3.7Å; D1351-T1388 VanDerWaalsContact CB-O 3.3Å; D1351-T1388 WeakPolarHBondContact CB-O 3.34Å; D1351-T1388 VanDerWaalsContact CB-OG1 3.29Å; D1351-T1388 WeakPolarHBondContact CB-OG1 3.28Å; D1351-T1388 VanDerWaalsContact N-C 3.33Å; D1351-T1388 PolarHBondContact N-O 3.12Å; D1351-T1388 PolarHBondContact O-OG1 3.28Å; D1351-T1388 WeakPolarHBondContact OD2-CB 3.42Å; D1351-T1388 PolarHBondContact OD2-OG1 3.16Å; D1351-T1388 VanDerWaalsContact OD2-OG1 3.07Å; T1354-T1388 WeakPolarHBondContact OG1-CA 3.43Å; T1354-T1388 WeakPolarHBondContact OG1-CB 3.3Å; T1354-T1388 PolarHBondContact OG1-N 3.1Å; T1354-T1388 VanDerWaalsContact OG1-N 3.11Å; T1354-T1388 PolarHBondContact OG1-O 3.2Å; T1354-T1388 VanDerWaalsContact OG1-O 3.09Å; T1354-T1388 PolarHBondContact OG1-OG1 2.8Å; T1388-V1402 CarbonylContact C-O 3.41Å; T1388-V1402 VanDerWaalsContact CA-O 3.23Å; T1388-V1402 WeakPolarHBondContact CA-O 3.19Å; T1388-V1402 WeakPolarHBondContact CG2-O 3.21Å; T1388-K1403 HydrophobicContact CG2-CD 4.48Å; T1388-K1403 HydrophobicContact CG2-CG 4.12Å
1389V85Confident73.5Confident3.2 Ų3.255.7 Ų55.72%0.01931%0.309CS..EExtended strand (participates in β ladder)trans-117.10-176.8176.50000112.1F1313 V1335 R1349 F1350 I1364 I1371 T1401 V1402 V1404F1313-V1389 HydrophobicContact CE1-CG1 4.35Å; F1313-V1389 HydrophobicContact CZ-CG1 4.19Å; F1313-V1389 WeakPolarHBondContact CZ-O 3.47Å; V1335-V1389 HydrophobicContact CG1-CB 4.5Å; V1335-V1389 HydrophobicContact CG1-CG2 4.32Å; V1335-V1389 HydrophobicContact CG2-CB 4.44Å; V1335-V1389 HydrophobicContact CG2-CG1 3.92Å; R1349-V1389 CarbonylContact O-C 3.47Å; R1349-V1389 WeakPolarHBondContact O-CA 3.28Å; R1349-V1389 WeakPolarHBondContact O-CG1 3.27Å; F1350-V1389 HydrophobicContact CD1-CG2 3.82Å; F1350-V1389 HydrophobicContact CE1-CG2 3.96Å; I1364-V1389 HydrophobicContact CD1-CB 4.38Å; I1364-V1389 HydrophobicContact CD1-CG1 3.64Å; I1364-V1389 VanDerWaalsContact CD1-CG1 3.46Å; I1364-V1389 HydrophobicContact CD1-CG2 3.89Å; I1371-V1389 HydrophobicContact CD1-CG2 4.13Å; V1389-T1401 CarbonylContact O-C 3.56Å; V1389-T1401 WeakPolarHBondContact O-CA 3.43Å; V1389-T1401 WeakPolarHBondContact O-CB 3.37Å; V1389-T1401 WeakPolarHBondContact O-CG2 3.46Å; V1389-V1402 HydrophobicContact CB-CB 4.14Å; V1389-V1402 HydrophobicContact CB-CG1 3.85Å; V1389-V1402 HydrophobicContact CG1-CB 4.3Å; V1389-V1402 HydrophobicContact CG1-CG1 4.15Å; V1389-V1402 HydrophobicContact CG2-CG1 3.88Å; V1389-V1402 PolarHBondContact N-O 2.97Å; V1389-V1402 PolarHBondContact O-N 3.1Å; V1389-V1404 HydrophobicContact CG2-CG2 4.02Å
1390V84.6Confident72.7Confident4 Ų454.1 Ų54.12%0.02431%0.307CS..EExtended strand (participates in β ladder)000-173.60000112.1Y1348 R1349 D1351 D1392 D1399 S1400 T1401Y1348-V1390 CarbonylContact C-O 3.36Å; Y1348-V1390 VanDerWaalsContact CA-O 3.22Å; Y1348-V1390 WeakPolarHBondContact CA-O 3.25Å; R1349-V1390 HydrophobicContact CG-CB 3.91Å; R1349-V1390 HydrophobicContact CG-CG1 4.24Å; R1349-V1390 HydrophobicContact CG-CG2 4.33Å; R1349-V1390 PolarHBondContact N-O 3.19Å; R1349-V1390 VanDerWaalsContact N-O 3.08Å; R1349-V1390 VanDerWaalsContact NH1-CG2 3.28Å; R1349-V1390 PolarHBondContact O-N 2.98Å; D1351-V1390 HydrophobicContact CB-CG2 3.69Å; D1351-V1390 WeakPolarHBondContact OD1-CG2 3.29Å; V1390-D1392 HydrophobicContact CG1-CB 4.07Å; V1390-D1399 HydrophobicContact CB-CB 4.21Å; V1390-D1399 HydrophobicContact CG1-CB 3.46Å; V1390-D1399 VanDerWaalsContact CG1-CG 3.41Å; V1390-D1399 WeakPolarHBondContact CG1-OD1 3.26Å; V1390-D1399 WeakPolarHBondContact CG1-OD2 3.34Å; V1390-D1399 HydrophobicContact CG2-CB 4.09Å; V1390-S1400 CarbonylContact C-O 3.52Å; V1390-S1400 VanDerWaalsContact CA-O 3.27Å; V1390-S1400 WeakPolarHBondContact CA-O 3.29Å; V1390-S1400 WeakPolarHBondContact CG1-O 3.31Å; V1390-T1401 HydrophobicContact CB-CG2 4.36Å; V1390-T1401 HydrophobicContact CG1-CG2 4.35Å; V1390-T1401 HydrophobicContact CG2-CG2 3.99Å
1391A77.8Confident72.8Confident4 Ų454.9 Ų54.93%0.03332%0.317CS..EExtended strand (participates in β ladder)00000000112.8V1311 F1313 A1337 I1346 T1347 Y1348 D1399 S1400V1311-A1391 HydrophobicContact CG1-CB 4Å; F1313-A1391 HydrophobicContact CD1-CB 4.15Å; F1313-A1391 HydrophobicContact CD2-CB 4.06Å; F1313-A1391 HydrophobicContact CE1-CB 3.86Å; F1313-A1391 HydrophobicContact CE2-CB 3.52Å; F1313-A1391 VanDerWaalsContact CE2-N 3.31Å; F1313-A1391 HydrophobicContact CG-CB 4.08Å; F1313-A1391 HydrophobicContact CZ-CB 3.47Å; F1313-A1391 VanDerWaalsContact CZ-CB 3.5Å; F1313-A1391 VanDerWaalsContact CZ-N 3.34Å; A1337-A1391 HydrophobicContact CB-CB 3.57Å; I1346-A1391 HydrophobicContact CG2-CB 3.89Å; T1347-A1391 VanDerWaalsContact O-CA 3.3Å; T1347-A1391 WeakPolarHBondContact O-CA 3.34Å; Y1348-A1391 HydrophobicContact CD1-CB 4.09Å; Y1348-A1391 HydrophobicContact CE1-CB 4.03Å; A1391-D1399 VanDerWaalsContact C-OD2 3.27Å; A1391-D1399 WeakPolarHBondContact CA-OD2 3.04Å; A1391-D1399 PolarHBondContact N-OD2 2.77Å; A1391-S1400 PolarHBondContact N-O 3.13Å; A1391-S1400 VanDerWaalsContact O-CB 3.3Å; A1391-S1400 WeakPolarHBondContact O-CB 3.41Å; A1391-S1400 PolarHBondContact O-N 3.32Å; A1391-S1400 PolarHBondContact O-OG 3.13Å
1392D76Confident73.3Confident46.2 Ų46.248.5 Ų48.525%0.24729%0.29CS..EExtended strand (participates in β ladder)0131.80-172.7-5.8000111.8I1346 T1347 R1349 V1390 G1394 K1397I1346-D1392 CarbonylContact C-O 3.59Å; I1346-D1392 VanDerWaalsContact CA-O 3.29Å; I1346-D1392 WeakPolarHBondContact CA-O 3.35Å; I1346-D1392 WeakPolarHBondContact CG2-O 3.13Å; T1347-D1392 PolarHBondContact N-O 3.07Å; T1347-D1392 PolarHBondContact O-N 2.97Å; T1347-D1392 VanDerWaalsContact O-N 3.09Å; T1347-D1392 PolarHBondContact OG1-O 2.94Å; R1349-D1392 IonicContact CZ-OD2 3.15Å; R1349-D1392 IonicContact NE-OD2 3.15Å; R1349-D1392 PolarHBondContact NE-OD2 3.39Å; R1349-D1392 IonicContact NH2-OD2 3.67Å; R1349-D1392 PolarHBondContact NH2-OD2 3.24Å; V1390-D1392 HydrophobicContact CG1-CB 4.07Å; D1392-G1394 WeakPolarHBondContact OD1-CA 3.38Å; D1392-G1394 PolarHBondContact OD1-N 3Å; D1392-K1397 WeakPolarHBondContact OD1-CE 3.34Å; D1392-K1397 IonicContact OD1-NZ 3.18Å; D1392-K1397 PolarHBondContact OD1-NZ 2.88Å; D1392-K1397 IonicContact OD2-NZ 3.6Å; D1392-K1397 PolarHBondContact OD2-NZ 2.9Å
1393D72Confident74Confident23.8 Ų23.852.6 Ų52.613%0.12730%0.301CS..  trans-109.9-19.3176.183-22.9000114.6L1307 V1311 S1339 N1342 N1344 I1346 G1395L1307-D1393 VanDerWaalsContact CD1-O 3.28Å; L1307-D1393 WeakPolarHBondContact CD1-O 3.38Å; V1311-D1393 HydrophobicContact CG2-CB 3.7Å; V1311-D1393 VanDerWaalsContact CG2-OD1 3.29Å; V1311-D1393 WeakPolarHBondContact CG2-OD1 3.13Å; V1311-D1393 VanDerWaalsContact CG2-OD2 3.31Å; V1311-D1393 WeakPolarHBondContact CG2-OD2 3.3Å; S1339-D1393 VanDerWaalsContact CB-OD2 3.24Å; S1339-D1393 WeakPolarHBondContact CB-OD2 3.29Å; S1339-D1393 PolarHBondContact OG-OD2 2.99Å; N1342-D1393 HydrophobicContact CB-CB 4.28Å; N1342-D1393 PolarHBondContact ND2-O 3.38Å; N1344-D1393 HydrophobicContact CB-CB 4.36Å; N1344-D1393 WeakPolarHBondContact CB-O 3.34Å; N1344-D1393 PolarHBondContact ND2-O 2.96Å; I1346-D1393 HydrophobicContact CG1-CB 4.09Å; D1393-G1395 PolarHBondContact OD1-N 2.91Å; D1393-G1395 VanDerWaalsContact OD1-N 3.13Å
1394G64.6Low74.4Confident52.2 Ų52.247.8 Ų47.854%0.53828%0.276SS..SBendtrans109.9-3.1-179.800000116.3L1307 D1392L1307-G1394 VanDerWaalsContact CD1-C 3.46Å; L1307-G1394 WeakPolarHBondContact CD1-O 3.5Å; D1392-G1394 WeakPolarHBondContact OD1-CA 3.38Å; D1392-G1394 PolarHBondContact OD1-N 3Å
1395G63Low74.8Confident18.6 Ų18.646.7 Ų46.719%0.19227%0.269CS..SBendtrans-75.5167.8174.200000114.1L1307 E1309 D1393 K1397L1307-G1395 VanDerWaalsContact CB-CA 3.41Å; L1307-G1395 WeakPolarHBondContact O-CA 3.09Å; E1309-G1395 VanDerWaalsContact O-CA 3.29Å; E1309-G1395 WeakPolarHBondContact O-CA 3.37Å; D1393-G1395 PolarHBondContact OD1-N 2.91Å; D1393-G1395 VanDerWaalsContact OD1-N 3.13Å; G1395-K1397 VanDerWaalsContact C-N 3.32Å; G1395-K1397 WeakPolarHBondContact O-CG 3.05Å; G1395-K1397 PolarHBondContact O-N 3Å
1396P57.3Low74.7Confident105.6 Ų105.646 Ų4669%0.68627%0.267SS*.SBendtrans-68.317.9172.925.7-34.1000114.5L1307 D1308 E1309 A1310 V1398L1307-P1396 WeakPolarHBondContact O-CD 3.32Å; L1307-P1396 WeakPolarHBondContact O-CG 3.23Å; D1308-P1396 VanDerWaalsContact C-CG 3.47Å; D1308-P1396 HydrophobicContact CB-CG 4.35Å; E1309-P1396 WeakPolarHBondContact O-CD 3.33Å; E1309-P1396 WeakPolarHBondContact O-CG 3.38Å; A1310-P1396 VanDerWaalsContact CA-O 3.25Å; A1310-P1396 WeakPolarHBondContact CA-O 3.35Å; A1310-P1396 WeakPolarHBondContact CB-O 3.4Å; P1396-V1398 PolarHBondContact O-N 2.96Å
1397K56.3Low74.4Confident110.4 Ų110.446.3 Ų46.348%0.4827%0.268SS..SBendtrans-91.50179.9-58.4-176.2-176.7167.10113D1308 E1309 A1310 D1392 G1395 D1399 S1400D1308-K1397 VanDerWaalsContact O-CD 3.23Å; D1308-K1397 WeakPolarHBondContact O-CD 3.36Å; D1308-K1397 WeakPolarHBondContact O-CE 3.31Å; D1308-K1397 WeakPolarHBondContact O-CG 3.33Å; D1308-K1397 PolarHBondContact O-NZ 2.9Å; D1308-K1397 IonicContact OD2-NZ 3.5Å; D1308-K1397 PolarHBondContact OD2-NZ 2.67Å; E1309-K1397 VanDerWaalsContact CD-NZ 3.35Å; E1309-K1397 IonicContact OE1-NZ 2.76Å; E1309-K1397 IonicContact OE2-NZ 3.64Å; E1309-K1397 PolarHBondContact OE2-NZ 2.89Å; A1310-K1397 HydrophobicContact CB-CB 3.84Å; A1310-K1397 HydrophobicContact CB-CD 4.07Å; D1392-K1397 WeakPolarHBondContact OD1-CE 3.34Å; D1392-K1397 IonicContact OD1-NZ 3.18Å; D1392-K1397 PolarHBondContact OD1-NZ 2.88Å; D1392-K1397 IonicContact OD2-NZ 3.6Å; D1392-K1397 PolarHBondContact OD2-NZ 2.9Å; G1395-K1397 VanDerWaalsContact C-N 3.32Å; G1395-K1397 WeakPolarHBondContact O-CG 3.05Å; G1395-K1397 PolarHBondContact O-N 3Å; K1397-D1399 PolarHBondContact O-N 2.99Å; K1397-S1400 PolarHBondContact O-OG 2.87Å
1398V55.1Low73.9Confident131.8 Ų131.846.9 Ų46.980%0.79927%0.272SS*.  000-1720000113.4A1310 P1396 S1400A1310-V1398 HydrophobicContact CB-CB 4.25Å; P1396-V1398 PolarHBondContact O-N 2.96Å; V1398-S1400 PolarHBondContact O-N 2.88Å; V1398-S1400 VanDerWaalsContact O-N 3.1Å
1399D60.2Low73.2Confident72.8 Ų72.850 Ų5039%0.38929%0.288SS..  000-62.4-15.1000118.5R1349 V1390 A1391 K1397 T1401R1349-D1399 IonicContact CZ-OD1 3.01Å; R1349-D1399 IonicContact CZ-OD2 3.17Å; R1349-D1399 VanDerWaalsContact CZ-OD2 3.24Å; R1349-D1399 IonicContact NE-OD2 3.55Å; R1349-D1399 PolarHBondContact NE-OD2 2.81Å; R1349-D1399 IonicContact NH1-OD1 3.51Å; R1349-D1399 IonicContact NH1-OD2 3.27Å; R1349-D1399 PolarHBondContact NH1-OD2 2.82Å; R1349-D1399 IonicContact NH2-OD1 3.07Å; R1349-D1399 PolarHBondContact NH2-OD1 2.78Å; R1349-D1399 IonicContact NH2-OD2 3.47Å; R1349-D1399 PolarHBondContact NH2-OD2 3.04Å; V1390-D1399 HydrophobicContact CB-CB 4.21Å; V1390-D1399 HydrophobicContact CG1-CB 3.46Å; V1390-D1399 VanDerWaalsContact CG1-CG 3.41Å; V1390-D1399 WeakPolarHBondContact CG1-OD1 3.26Å; V1390-D1399 WeakPolarHBondContact CG1-OD2 3.34Å; V1390-D1399 HydrophobicContact CG2-CB 4.09Å; A1391-D1399 VanDerWaalsContact C-OD2 3.27Å; A1391-D1399 WeakPolarHBondContact CA-OD2 3.04Å; A1391-D1399 PolarHBondContact N-OD2 2.77Å; K1397-D1399 PolarHBondContact O-N 2.99Å; D1399-T1401 PolarHBondContact O-N 2.73Å
1400S67.5Low72.6Confident29.2 Ų29.252.2 Ų52.220%0.20430%0.299CS..EExtended strand (participates in β ladder)00057.30000115V1311 F1313 V1390 A1391 K1397 V1398V1311-S1400 WeakPolarHBondContact CB-OG 3.44Å; V1311-S1400 VanDerWaalsContact O-CB 3.22Å; V1311-S1400 WeakPolarHBondContact O-CB 3.4Å; V1311-S1400 PolarHBondContact O-OG 2.81Å; F1313-S1400 VanDerWaalsContact CD2-C 3.46Å; F1313-S1400 VanDerWaalsContact CD2-OG 3.29Å; F1313-S1400 WeakPolarHBondContact CD2-OG 3.46Å; F1313-S1400 VanDerWaalsContact CE2-O 3.31Å; F1313-S1400 WeakPolarHBondContact CE2-O 3.23Å; V1390-S1400 CarbonylContact C-O 3.52Å; V1390-S1400 VanDerWaalsContact CA-O 3.27Å; V1390-S1400 WeakPolarHBondContact CA-O 3.29Å; V1390-S1400 WeakPolarHBondContact CG1-O 3.31Å; A1391-S1400 PolarHBondContact N-O 3.13Å; A1391-S1400 VanDerWaalsContact O-CB 3.3Å; A1391-S1400 WeakPolarHBondContact O-CB 3.41Å; A1391-S1400 PolarHBondContact O-N 3.32Å; A1391-S1400 PolarHBondContact O-OG 3.13Å; K1397-S1400 PolarHBondContact O-OG 2.87Å; V1398-S1400 PolarHBondContact O-N 2.88Å; V1398-S1400 VanDerWaalsContact O-N 3.1Å
1401T80.8Confident71.8Confident87.8 Ų87.857 Ų5754%0.53932%0.321SS..EExtended strand (participates in β ladder)00066.80000118D1351 V1389 V1390 D1399D1351-T1401 HydrophobicContact CB-CG2 4.44Å; V1389-T1401 CarbonylContact O-C 3.56Å; V1389-T1401 WeakPolarHBondContact O-CA 3.43Å; V1389-T1401 WeakPolarHBondContact O-CB 3.37Å; V1389-T1401 WeakPolarHBondContact O-CG2 3.46Å; V1390-T1401 HydrophobicContact CB-CG2 4.36Å; V1390-T1401 HydrophobicContact CG1-CG2 4.35Å; V1390-T1401 HydrophobicContact CG2-CG2 3.99Å; D1399-T1401 PolarHBondContact O-N 2.73Å
1402V83.5Confident71.6Confident12.4 Ų12.459.1 Ų59.18%0.07533%0.332CS..EExtended strand (participates in β ladder)00079.60000115.5F1313 N1315 A1316 Y1318 V1335 T1388 V1389F1313-V1402 HydrophobicContact CB-CB 4.22Å; F1313-V1402 HydrophobicContact CD1-CB 4.04Å; F1313-V1402 HydrophobicContact CD1-CG1 3.74Å; F1313-V1402 HydrophobicContact CD2-CB 3.72Å; F1313-V1402 HydrophobicContact CD2-CG1 3.95Å; F1313-V1402 HydrophobicContact CE1-CB 4.16Å; F1313-V1402 HydrophobicContact CE1-CG1 3.58Å; F1313-V1402 VanDerWaalsContact CE1-CG1 3.44Å; F1313-V1402 HydrophobicContact CE2-CB 4.21Å; F1313-V1402 HydrophobicContact CE2-CG1 4.01Å; F1313-V1402 HydrophobicContact CG-CB 3.73Å; F1313-V1402 HydrophobicContact CG-CG1 3.77Å; F1313-V1402 HydrophobicContact CG-CG2 4.48Å; F1313-V1402 HydrophobicContact CZ-CB 4.3Å; F1313-V1402 HydrophobicContact CZ-CG1 3.77Å; N1315-V1402 WeakPolarHBondContact O-CG2 3.25Å; A1316-V1402 VanDerWaalsContact O-CG2 3.27Å; A1316-V1402 WeakPolarHBondContact O-CG2 3.4Å; Y1318-V1402 HydrophobicContact CD2-CG1 4.22Å; Y1318-V1402 HydrophobicContact CD2-CG2 3.8Å; Y1318-V1402 HydrophobicContact CE2-CG1 4.21Å; Y1318-V1402 HydrophobicContact CE2-CG2 4.15Å; V1335-V1402 HydrophobicContact CB-CG1 4.4Å; V1335-V1402 HydrophobicContact CG1-CG1 4.12Å; T1388-V1402 CarbonylContact C-O 3.41Å; T1388-V1402 VanDerWaalsContact CA-O 3.23Å; T1388-V1402 WeakPolarHBondContact CA-O 3.19Å; T1388-V1402 WeakPolarHBondContact CG2-O 3.21Å; V1389-V1402 HydrophobicContact CB-CB 4.14Å; V1389-V1402 HydrophobicContact CB-CG1 3.85Å; V1389-V1402 HydrophobicContact CG1-CB 4.3Å; V1389-V1402 HydrophobicContact CG1-CG1 4.15Å; V1389-V1402 HydrophobicContact CG2-CG1 3.88Å; V1389-V1402 PolarHBondContact N-O 2.97Å; V1389-V1402 PolarHBondContact O-N 3.1Å
1403K85.8Confident71.6Confident108.8 Ų108.860.4 Ų60.447%0.47334%0.339SS..EExtended strand (participates in β ladder)000-63.9-172.5-179.9-178.50117.8S1317 Y1318 T1386 L1387 T1388 Y1405S1317-K1403 CarbonylContact C-O 3.5Å; S1317-K1403 VanDerWaalsContact CA-O 3.31Å; S1317-K1403 WeakPolarHBondContact CA-O 3.18Å; S1317-K1403 WeakPolarHBondContact CB-O 3Å; Y1318-K1403 PolarHBondContact N-O 3.13Å; T1386-K1403 HydrophobicContact CG2-CB 4.17Å; T1386-K1403 HydrophobicContact CG2-CD 3.98Å; T1386-K1403 HydrophobicContact CG2-CG 4.07Å; L1387-K1403 CarbonylContact O-C 3.52Å; L1387-K1403 VanDerWaalsContact O-CA 3.3Å; L1387-K1403 WeakPolarHBondContact O-CA 3.31Å; L1387-K1403 WeakPolarHBondContact O-CB 3.15Å; L1387-K1403 WeakPolarHBondContact O-CG 3.38Å; T1388-K1403 HydrophobicContact CG2-CD 4.48Å; T1388-K1403 HydrophobicContact CG2-CG 4.12Å; K1403-Y1405 HydrophobicContact CB-CE1 4.37Å; K1403-Y1405 HydrophobicContact CB-CE2 4.2Å; K1403-Y1405 HydrophobicContact CD-CE1 4.41Å; K1403-Y1405 WeakPolarHBondContact CD-OH 3.38Å
1404V85.2Confident71.9Confident0.8 Ų0.861.3 Ų61.31%0.00534%0.344CS..EExtended strand (participates in β ladder)000-162.50000115Y1318 A1320 I1332 V1333 V1335 I1371 T1386 L1387 V1389 I1406Y1318-V1404 HydrophobicContact CD2-CG2 4.28Å; Y1318-V1404 CarbonylContact O-C 3.46Å; Y1318-V1404 VanDerWaalsContact O-CA 3.27Å; Y1318-V1404 WeakPolarHBondContact O-CA 3.35Å; A1320-V1404 HydrophobicContact CB-CG1 4.01Å; I1332-V1404 HydrophobicContact CD1-CB 4.19Å; I1332-V1404 HydrophobicContact CD1-CG1 3.83Å; I1332-V1404 HydrophobicContact CD1-CG2 4.18Å; I1332-V1404 HydrophobicContact CG2-CG1 4.43Å; V1333-V1404 HydrophobicContact CG1-CG1 3.58Å; V1335-V1404 HydrophobicContact CG1-CG2 3.96Å; I1371-V1404 HydrophobicContact CD1-CB 4.11Å; I1371-V1404 HydrophobicContact CD1-CG1 4Å; I1371-V1404 HydrophobicContact CD1-CG2 3.8Å; I1371-V1404 VanDerWaalsContact CD1-CG2 3.49Å; T1386-V1404 CarbonylContact C-O 3.47Å; T1386-V1404 VanDerWaalsContact CA-O 3.23Å; T1386-V1404 WeakPolarHBondContact CA-O 3.3Å; T1386-V1404 WeakPolarHBondContact CG2-O 3.3Å; L1387-V1404 HydrophobicContact CB-CB 4.15Å; L1387-V1404 HydrophobicContact CB-CG2 4.41Å; L1387-V1404 HydrophobicContact CD1-CB 4.12Å; L1387-V1404 HydrophobicContact CD1-CG1 4.33Å; L1387-V1404 HydrophobicContact CD1-CG2 3.61Å; L1387-V1404 PolarHBondContact N-O 2.9Å; L1387-V1404 PolarHBondContact O-N 3.08Å; V1389-V1404 HydrophobicContact CG2-CG2 4.02Å; V1404-I1406 HydrophobicContact CG1-CG1 4.33Å
1405Y83.5Confident72.7Confident80 Ų8060.8 Ų60.831%0.31433%0.332SS..EExtended strand (participates in β ladder)000-55.9-75.9000116.8Y1318 E1319 A1320 F1384 Y1385 T1386 K1403Y1318-Y1405 WeakPolarHBondContact O-CD2 3.31Å; Y1318-Y1405 PolarHBondContact O-N 3.18Å; Y1318-Y1405 VanDerWaalsContact O-N 3.09Å; E1319-Y1405 CarbonylContact C-O 3.44Å; E1319-Y1405 WeakPolarHBondContact CA-O 3.49Å; E1319-Y1405 HydrophobicContact CG-CD2 4.08Å; A1320-Y1405 PolarHBondContact N-O 2.98Å; A1320-Y1405 CarbonylContact O-C 3.57Å; F1384-Y1405 AromaticContact CE1-CD1 3.63Å; F1384-Y1405 HydrophobicContact CE1-CD1 3.8Å; F1384-Y1405 HydrophobicContact CE1-CE1 4.2Å; F1384-Y1405 HydrophobicContact CE1-CG 4.45Å; F1384-Y1405 HydrophobicContact CE2-CD1 4.44Å; F1384-Y1405 AromaticContact CZ-CD1 3.58Å; F1384-Y1405 HydrophobicContact CZ-CD1 3.58Å; F1384-Y1405 VanDerWaalsContact CZ-CD1 3.42Å; F1384-Y1405 HydrophobicContact CZ-CE1 4.23Å; F1384-Y1405 AromaticContact CZ-CG 3.85Å; F1384-Y1405 HydrophobicContact CZ-CG 4.01Å; Y1385-Y1405 CarbonylContact O-C 3.57Å; Y1385-Y1405 WeakPolarHBondContact O-CA 3.3Å; Y1385-Y1405 VanDerWaalsContact O-CD1 3.23Å; Y1385-Y1405 WeakPolarHBondContact O-CD1 3.17Å; T1386-Y1405 HydrophobicContact CG2-CD1 3.77Å; T1386-Y1405 HydrophobicContact CG2-CE1 3.75Å; T1386-Y1405 WeakPolarHBondContact OG1-CD1 3.32Å; K1403-Y1405 HydrophobicContact CB-CE1 4.37Å; K1403-Y1405 HydrophobicContact CB-CE2 4.2Å; K1403-Y1405 HydrophobicContact CD-CE1 4.41Å; K1403-Y1405 WeakPolarHBondContact CD-OH 3.38Å
1406I82Confident73.8Confident1.4 Ų1.460.6 Ų60.61%0.00733%0.327CS..EExtended strand (participates in β ladder)000-63.3178.9000115.1A1320 I1322 I1332 F1362 I1371 V1373 F1384 Y1385 L1387 V1404 V1408A1320-I1406 HydrophobicContact CB-CG1 4.45Å; A1320-I1406 CarbonylContact O-C 3.59Å; A1320-I1406 VanDerWaalsContact O-CA 3.28Å; A1320-I1406 WeakPolarHBondContact O-CA 3.07Å; I1322-I1406 HydrophobicContact CB-CD1 4.26Å; I1322-I1406 HydrophobicContact CB-CG1 4.24Å; I1322-I1406 HydrophobicContact CD1-CD1 3.58Å; I1322-I1406 HydrophobicContact CD1-CG1 4.36Å; I1322-I1406 HydrophobicContact CD1-CG2 3.94Å; I1322-I1406 VanDerWaalsContact CD1-CG2 3.46Å; I1322-I1406 HydrophobicContact CG1-CB 4.45Å; I1322-I1406 HydrophobicContact CG1-CD1 3.55Å; I1322-I1406 HydrophobicContact CG1-CG1 3.75Å; I1322-I1406 HydrophobicContact CG1-CG2 3.95Å; I1322-I1406 HydrophobicContact CG2-CD1 3.85Å; I1322-I1406 HydrophobicContact CG2-CG1 3.94Å; I1332-I1406 HydrophobicContact CD1-CD1 4.01Å; I1332-I1406 HydrophobicContact CG2-CD1 4.05Å; I1332-I1406 HydrophobicContact CG2-CG1 4.24Å; F1362-I1406 HydrophobicContact CD1-CD1 3.97Å; F1362-I1406 HydrophobicContact CD2-CD1 3.98Å; F1362-I1406 HydrophobicContact CE1-CD1 3.73Å; F1362-I1406 HydrophobicContact CE1-CG1 3.89Å; F1362-I1406 HydrophobicContact CE1-CG2 4.04Å; F1362-I1406 HydrophobicContact CE2-CB 4.49Å; F1362-I1406 HydrophobicContact CE2-CD1 3.81Å; F1362-I1406 HydrophobicContact CE2-CG2 4.43Å; F1362-I1406 HydrophobicContact CG-CD1 4.06Å; F1362-I1406 HydrophobicContact CZ-CB 4.19Å; F1362-I1406 HydrophobicContact CZ-CD1 3.64Å; F1362-I1406 VanDerWaalsContact CZ-CD1 3.43Å; F1362-I1406 HydrophobicContact CZ-CG1 3.56Å; F1362-I1406 HydrophobicContact CZ-CG2 4Å; I1371-I1406 HydrophobicContact CG2-CD1 3.99Å; V1373-I1406 HydrophobicContact CG1-CD1 4.37Å; V1373-I1406 HydrophobicContact CG2-CD1 4.3Å; F1384-I1406 WeakPolarHBondContact CA-O 3.13Å; F1384-I1406 VanDerWaalsContact CD2-O 3.23Å; F1384-I1406 WeakPolarHBondContact CD2-O 3.32Å; F1384-I1406 WeakPolarHBondContact CE2-O 3.04Å; F1384-I1406 WeakPolarHBondContact CG-O 3.36Å; Y1385-I1406 HydrophobicContact CD2-CB 3.98Å; Y1385-I1406 HydrophobicContact CD2-CG2 3.45Å; Y1385-I1406 VanDerWaalsContact CD2-CG2 3.45Å; Y1385-I1406 HydrophobicContact CE2-CB 4.44Å; Y1385-I1406 HydrophobicContact CE2-CG2 3.43Å; Y1385-I1406 VanDerWaalsContact CE2-CG2 3.43Å; Y1385-I1406 PolarHBondContact N-O 2.96Å; Y1385-I1406 PolarHBondContact O-N 3Å; L1387-I1406 HydrophobicContact CD1-CD1 3.7Å; L1387-I1406 VanDerWaalsContact CD1-CD1 3.44Å; L1387-I1406 HydrophobicContact CD1-CG1 4.38Å; L1387-I1406 HydrophobicContact CG-CD1 4.35Å; V1404-I1406 HydrophobicContact CG1-CG1 4.33Å; I1406-V1408 HydrophobicContact CG2-CG2 4.47Å
1407T73.7Confident75Confident56.6 Ų56.663.8 Ų63.835%0.34733%0.326SS..EExtended strand (participates in β ladder)000-41.30000116A1320 V1321 I1322 M1323 D1383 F1384A1320-T1407 PolarHBondContact O-N 2.83Å; V1321-T1407 CarbonylContact C-O 3.56Å; V1321-T1407 VanDerWaalsContact CA-O 3.31Å; V1321-T1407 WeakPolarHBondContact CA-O 3.12Å; V1321-T1407 WeakPolarHBondContact CG1-OG1 3.39Å; I1322-T1407 CarbonylContact C-O 3.49Å; I1322-T1407 WeakPolarHBondContact CA-O 3.47Å; I1322-T1407 WeakPolarHBondContact CG1-O 3.4Å; I1322-T1407 PolarHBondContact N-O 3.1Å; I1322-T1407 CarbonylContact O-C 3.53Å; I1322-T1407 VanDerWaalsContact O-C 3.31Å; I1322-T1407 WeakPolarHBondContact O-CA 3.46Å; I1322-T1407 WeakPolarHBondContact O-CB 3.24Å; M1323-T1407 PolarHBondContact N-O 2.85Å; D1383-T1407 CarbonylContact O-C 3.54Å; D1383-T1407 WeakPolarHBondContact O-CA 3.44Å; D1383-T1407 WeakPolarHBondContact O-CG2 3.27Å; F1384-T1407 HydrophobicContact CD2-CG2 4.43Å; F1384-T1407 WeakPolarHBondContact CD2-OG1 3.32Å
1408V73.6Confident76.4Confident14.8 Ų14.860.4 Ų60.49%0.0931%0.311CS..  000-171.40000115.9I1322 E1324 V1377 R1379 G1382 D1383 Y1385 I1406I1322-V1408 HydrophobicContact CD1-CG2 4.26Å; I1322-V1408 HydrophobicContact CG1-CG2 4.11Å; I1322-V1408 CarbonylContact O-C 3.54Å; I1322-V1408 VanDerWaalsContact O-CA 3.27Å; I1322-V1408 WeakPolarHBondContact O-CA 3.41Å; E1324-V1408 HydrophobicContact CB-CG1 3.77Å; V1377-V1408 HydrophobicContact CG1-CB 4.19Å; V1377-V1408 HydrophobicContact CG1-CG1 3.63Å; V1377-V1408 VanDerWaalsContact CG1-CG1 3.49Å; V1377-V1408 HydrophobicContact CG1-CG2 3.75Å; R1379-V1408 HydrophobicContact CB-CB 4.32Å; R1379-V1408 HydrophobicContact CB-CG1 4.2Å; R1379-V1408 HydrophobicContact CG-CB 4.07Å; R1379-V1408 HydrophobicContact CG-CG1 4.17Å; G1382-V1408 VanDerWaalsContact O-CG2 3.31Å; G1382-V1408 WeakPolarHBondContact O-CG2 3.41Å; D1383-V1408 PolarHBondContact O-N 2.84Å; Y1385-V1408 HydrophobicContact CD2-CG2 4.27Å; Y1385-V1408 HydrophobicContact CE2-CG2 3.93Å; I1406-V1408 HydrophobicContact CG2-CG2 4.47Å
1409L69.2Low77.5Confident86 Ų8656.1 Ų56.145%0.4528%0.283SS..  000-63.7-178.6000114.9V1321 I1322 M1323 E1324 R1379V1321-L1409 HydrophobicContact CG1-CD1 3.83Å; V1321-L1409 HydrophobicContact CG1-CD2 3.91Å; V1321-L1409 HydrophobicContact CG1-CG 3.67Å; I1322-L1409 WeakPolarHBondContact O-CG 3.36Å; I1322-L1409 PolarHBondContact O-N 3.11Å; M1323-L1409 HydrophobicContact CE-CB 4.46Å; M1323-L1409 HydrophobicContact CE-CD1 4.06Å; M1323-L1409 HydrophobicContact CE-CG 4.12Å; M1323-L1409 HydrophobicContact CG-CB 4.09Å; M1323-L1409 HydrophobicContact CG-CD1 4.18Å; E1324-L1409 HydrophobicContact CB-CB 3.63Å; E1324-L1409 WeakPolarHBondContact CB-O 3.42Å; E1324-L1409 VanDerWaalsContact CD-C 3.48Å; E1324-L1409 HydrophobicContact CG-CB 4.1Å; E1324-L1409 WeakPolarHBondContact CG-O 3.28Å; E1324-L1409 PolarHBondContact N-O 2.85Å; R1379-L1409 VanDerWaalsContact CA-O 3.27Å; R1379-L1409 WeakPolarHBondContact CA-O 3.24Å; R1379-L1409 VanDerWaalsContact CB-O 3.22Å; R1379-L1409 WeakPolarHBondContact CB-O 3.45Å; R1379-L1409 PolarHBondContact N-O 3.36Å
1410D72.5Confident78.3Confident49.2 Ų49.261.9 Ų61.926%0.26331%0.306SS..  000173.395.8000120.6E1324 R1379 D1447 A1448 N1451E1324-D1410 VanDerWaalsContact OE1-C 3.23Å; E1324-D1410 WeakPolarHBondContact OE1-CA 3.14Å; R1379-D1410 HydrophobicContact CB-CB 3.7Å; R1379-D1410 HydrophobicContact CG-CB 3.51Å; R1379-D1410 IonicContact CZ-OD1 3.39Å; R1379-D1410 IonicContact NE-OD1 3.23Å; R1379-D1410 PolarHBondContact NE-OD1 2.9Å; R1379-D1410 IonicContact NH1-OD1 2.84Å; R1379-D1410 PolarHBondContact NH1-OD1 3.38Å; R1379-D1410 IonicContact NH1-OD2 3.55Å; R1379-D1410 IonicContact NH2-OD1 3.28Å; R1379-D1410 PolarHBondContact NH2-OD1 3.05Å; D1410-D1447 WeakPolarHBondContact OD1-CA 3.25Å; D1410-A1448 HydrophobicContact CB-CB 3.92Å; D1410-A1448 VanDerWaalsContact CG-CB 3.47Å; D1410-A1448 VanDerWaalsContact CG-N 3.25Å; D1410-A1448 WeakPolarHBondContact OD1-CA 3.43Å; D1410-A1448 VanDerWaalsContact OD1-CB 3.23Å; D1410-A1448 WeakPolarHBondContact OD1-CB 3.37Å; D1410-A1448 PolarHBondContact OD1-N 2.99Å; D1410-A1448 PolarHBondContact OD2-N 3.15Å; D1410-A1448 VanDerWaalsContact OD2-N 3.09Å; D1410-N1451 PolarHBondContact OD2-ND2 3.05Å
1411E68.1Low78.8Confident104 Ų10463.8 Ų63.849%0.48632%0.316SS..  000-78.2-106.3173.200114.6E1324 N1325 D1413 N1451E1324-E1411 HydrophobicContact CG-CB 3.77Å; E1324-E1411 HydrophobicContact CG-CG 4.03Å; E1324-E1411 WeakPolarHBondContact O-CG 3.24Å; E1324-E1411 PolarHBondContact OE1-N 3.04Å; N1325-E1411 HydrophobicContact CB-CB 4.22Å; N1325-E1411 HydrophobicContact CB-CG 4.33Å; E1411-D1413 HydrophobicContact CB-CB 4.39Å; E1411-D1413 PolarHBondContact O-N 2.87Å; E1411-N1451 VanDerWaalsContact C-ND2 3.27Å
1412N72.8Confident79Confident49.4 Ų49.460 Ų6026%0.26429%0.293SS..  000174.756.9000114.9D1447 N1451 D1501 G1503 P1505 R1507N1412-D1447 VanDerWaalsContact CA-OD2 3.31Å; N1412-D1447 WeakPolarHBondContact CA-OD2 3.3Å; N1412-D1447 PolarHBondContact OD1-OD2 2.9Å; N1412-N1451 HydrophobicContact CB-CB 4.1Å; N1412-N1451 VanDerWaalsContact CB-CG 3.41Å; N1412-N1451 WeakPolarHBondContact CB-OD1 3.45Å; N1412-N1451 PolarHBondContact N-ND2 2.99Å; N1412-N1451 VanDerWaalsContact ND2-CB 3.35Å; N1412-N1451 WeakPolarHBondContact ND2-CB 3.47Å; N1412-N1451 PolarHBondContact ND2-OD1 3.41Å; N1412-N1451 WeakPolarHBondContact OD1-CA 3.16Å; N1412-N1451 WeakPolarHBondContact OD1-CB 3.33Å; N1412-N1451 PolarHBondContact OD1-O 2.85Å; N1412-N1451 PolarHBondContact OD1-OD1 3.41Å; N1412-D1501 PolarHBondContact ND2-OD1 3.11Å; N1412-D1501 PolarHBondContact ND2-OD2 3.21Å; N1412-D1501 PolarHBondContact OD1-OD1 3.21Å; N1412-D1501 PolarHBondContact OD1-OD2 3.06Å; N1412-G1503 VanDerWaalsContact CG-CA 3.48Å; N1412-P1505 PolarHBondContact ND2-O 3.11Å; N1412-P1505 VanDerWaalsContact ND2-O 3.1Å; N1412-R1507 WeakPolarHBondContact ND2-CD 3.49Å; N1412-R1507 WeakPolarHBondContact ND2-CG 3.17Å; N1412-R1507 VanDerWaalsContact O-CD 3.23Å; N1412-R1507 WeakPolarHBondContact O-CD 3.33Å; N1412-R1507 PolarHBondContact O-NE 3.46Å; N1412-R1507 PolarHBondContact O-NH1 3.04Å
1413D77.5Confident79.1Confident73.8 Ų73.862.1 Ų62.140%0.39530%0.304SS..  000120.5-40.7000117.5N1325 E1411 D1447 R1507N1325-D1413 VanDerWaalsContact ND2-CB 3.31Å; N1325-D1413 WeakPolarHBondContact ND2-CB 3.23Å; N1325-D1413 PolarHBondContact ND2-OD2 3.1Å; N1325-D1413 PolarHBondContact OD1-OD2 3.16Å; E1411-D1413 HydrophobicContact CB-CB 4.39Å; E1411-D1413 PolarHBondContact O-N 2.87Å; D1413-D1447 PolarHBondContact N-OD1 3.38Å; D1413-D1447 PolarHBondContact N-OD2 3.03Å; D1413-D1447 VanDerWaalsContact N-OD2 3.11Å; D1413-R1507 VanDerWaalsContact C-NH1 3.26Å; D1413-R1507 VanDerWaalsContact CA-NH1 3.32Å; D1413-R1507 PolarHBondContact O-NE 3.35Å; D1413-R1507 PolarHBondContact O-NH1 2.91Å; D1413-R1507 PolarHBondContact O-NH2 3.21Å
1414N78.3Confident79.1Confident41.2 Ų41.260 Ų6022%0.2230%0.303CS..  000-80-88.5000116.4E1380 R1417 D1445 P1446 D1447 R1507E1380-N1414 VanDerWaalsContact CG-ND2 3.25Å; E1380-N1414 WeakPolarHBondContact CG-ND2 3.35Å; E1380-N1414 PolarHBondContact OE2-ND2 3.23Å; N1414-R1417 PolarHBondContact OD1-NH2 3.26Å; N1414-R1417 VanDerWaalsContact OD1-NH2 3.09Å; N1414-D1445 VanDerWaalsContact CB-OD1 3.24Å; N1414-D1445 WeakPolarHBondContact CB-OD1 3.18Å; N1414-P1446 VanDerWaalsContact C-CB 3.42Å; N1414-P1446 HydrophobicContact CB-CB 4.21Å; N1414-P1446 HydrophobicContact CB-CG 3.95Å; N1414-P1446 PolarHBondContact N-O 3.01Å; N1414-D1447 WeakPolarHBondContact CB-OD1 3.31Å; N1414-D1447 PolarHBondContact N-OD1 3.05Å; N1414-D1447 PolarHBondContact N-OD2 2.84Å; N1414-D1447 VanDerWaalsContact N-OD2 3.1Å; N1414-D1447 PolarHBondContact ND2-OD1 3.01Å; N1414-D1447 VanDerWaalsContact O-OD1 3.12Å; N1414-R1507 VanDerWaalsContact O-CD 3.24Å; N1414-R1507 WeakPolarHBondContact O-CD 3.35Å; N1414-R1507 PolarHBondContact O-NE 3.09Å; N1414-R1507 VanDerWaalsContact O-NE 3.08Å; N1414-R1507 PolarHBondContact O-NH1 2.72Å; N1414-R1507 PolarHBondContact O-NH2 3.17Å
1415S80Confident79.2Confident42.4 Ų42.463.3 Ų63.330%0.29733%0.33SS..  000-57.10000112.8R1417 D1445 P1446 R1507S1415-R1417 WeakPolarHBondContact O-CG 3.39Å; S1415-R1417 PolarHBondContact O-N 2.8Å; S1415-D1445 WeakPolarHBondContact CA-OD1 3.29Å; S1415-D1445 WeakPolarHBondContact CA-OD2 3.28Å; S1415-D1445 VanDerWaalsContact N-CG 3.34Å; S1415-D1445 PolarHBondContact N-OD1 2.89Å; S1415-D1445 PolarHBondContact N-OD2 2.98Å; S1415-P1446 VanDerWaalsContact N-CD 3.29Å; S1415-P1446 WeakPolarHBondContact O-CD 3.44Å; S1415-P1446 VanDerWaalsContact O-CG 3.25Å; S1415-P1446 WeakPolarHBondContact O-CG 3.21Å; S1415-R1507 VanDerWaalsContact OG-CB 3.24Å; S1415-R1507 WeakPolarHBondContact OG-CB 3.29Å; S1415-R1507 WeakPolarHBondContact OG-CD 3.42Å; S1415-R1507 PolarHBondContact OG-NE 3.07Å; S1415-R1507 PolarHBondContact OG-NH2 3.13Å; S1415-R1507 VanDerWaalsContact OG-NH2 3.17Å
1416P86.3Confident79.4Confident14.6 Ų14.660.6 Ų60.610%0.09532%0.321CS..  000-15.522000116.7A1443 R1444 D1445 V1454 A1499 D1501 R1507 K1509P1416-A1443 HydrophobicContact CB-CB 4.36Å; P1416-R1444 CarbonylContact C-O 3.35Å; P1416-R1444 WeakPolarHBondContact CA-O 3.29Å; P1416-R1444 WeakPolarHBondContact CB-O 3.2Å; P1416-D1445 WeakPolarHBondContact CA-OD2 3.35Å; P1416-D1445 HydrophobicContact CB-CB 4.13Å; P1416-D1445 VanDerWaalsContact CB-OD1 3.3Å; P1416-D1445 WeakPolarHBondContact CB-OD1 2.9Å; P1416-D1445 WeakPolarHBondContact CB-OD2 3.27Å; P1416-D1445 WeakPolarHBondContact CD-OD1 3.44Å; P1416-D1445 WeakPolarHBondContact CD-OD2 3.33Å; P1416-D1445 HydrophobicContact CG-CB 4.29Å; P1416-D1445 WeakPolarHBondContact CG-OD1 2.94Å; P1416-D1445 VanDerWaalsContact CG-OD2 3.32Å; P1416-D1445 WeakPolarHBondContact CG-OD2 3.34Å; P1416-D1445 VanDerWaalsContact N-OD2 3.08Å; P1416-V1454 HydrophobicContact CB-CB 4.43Å; P1416-V1454 HydrophobicContact CB-CG1 3.86Å; P1416-V1454 HydrophobicContact CB-CG2 3.94Å; P1416-V1454 HydrophobicContact CG-CB 4.43Å; P1416-V1454 HydrophobicContact CG-CG1 4.09Å; P1416-V1454 HydrophobicContact CG-CG2 4.08Å; P1416-A1499 HydrophobicContact CB-CB 3.8Å; P1416-A1499 HydrophobicContact CG-CB 4.44Å; P1416-D1501 WeakPolarHBondContact CD-OD2 3.4Å; P1416-D1501 HydrophobicContact CG-CB 3.95Å; P1416-D1501 VanDerWaalsContact CG-N 3.33Å; P1416-R1507 WeakPolarHBondContact CD-O 3.16Å; P1416-K1509 VanDerWaalsContact O-CB 3.28Å; P1416-K1509 WeakPolarHBondContact O-CB 3.31Å; P1416-K1509 WeakPolarHBondContact O-CG 3.35Å
1417R83.6Confident79.8Confident171.4 Ų171.464.2 Ų64.265%0.64735%0.346SS*.EExtended strand (participates in β ladder)0131.80-54.1-172.5-172.6177.86.3111.5N1414 S1415 D1419 A1443 R1444N1414-R1417 PolarHBondContact OD1-NH2 3.26Å; N1414-R1417 VanDerWaalsContact OD1-NH2 3.09Å; S1415-R1417 WeakPolarHBondContact O-CG 3.39Å; S1415-R1417 PolarHBondContact O-N 2.8Å; R1417-D1419 PolarHBondContact O-N 3.2Å; R1417-A1443 CarbonylContact O-C 3.55Å; R1417-A1443 WeakPolarHBondContact O-CA 3.35Å; R1417-A1443 WeakPolarHBondContact O-CB 3.33Å; R1417-R1444 PolarHBondContact N-O 3.06Å; R1417-R1444 PolarHBondContact O-N 3Å
1418F84.4Confident80.5Confident40.4 Ų40.461.7 Ų61.718%0.17733%0.331CS..EExtended strand (participates in β ladder)trans-62.4135.2168.7-83.8-81.4000109.8V1441 K1442 A1443 F1456 V1497 A1499 K1509 H1511F1418-V1441 HydrophobicContact CD1-CB 4.32Å; F1418-V1441 HydrophobicContact CE1-CB 4Å; F1418-V1441 HydrophobicContact CE1-CG1 4.39Å; F1418-V1441 HydrophobicContact CE1-CG2 4.22Å; F1418-K1442 CarbonylContact C-O 3.52Å; F1418-K1442 VanDerWaalsContact CA-O 3.28Å; F1418-K1442 WeakPolarHBondContact CA-O 3.3Å; F1418-K1442 WeakPolarHBondContact CD1-O 3.13Å; F1418-A1443 HydrophobicContact CD1-CB 4.27Å; F1418-A1443 HydrophobicContact CD2-CB 4.36Å; F1418-A1443 HydrophobicContact CE1-CB 4.4Å; F1418-A1443 HydrophobicContact CG-CB 4.18Å; F1418-F1456 HydrophobicContact CD1-CE1 4.29Å; F1418-F1456 AromaticContact CE1-CD1 3.85Å; F1418-F1456 HydrophobicContact CE1-CD1 4.03Å; F1418-F1456 AromaticContact CE1-CE1 3.66Å; F1418-F1456 HydrophobicContact CE1-CE1 3.66Å; F1418-F1456 VanDerWaalsContact CE1-CE1 3.43Å; F1418-F1456 AromaticContact CZ-CD1 3.98Å; F1418-F1456 HydrophobicContact CZ-CD1 4.19Å; F1418-F1456 AromaticContact CZ-CE1 3.87Å; F1418-F1456 HydrophobicContact CZ-CE1 4.12Å; F1418-V1497 HydrophobicContact CE1-CG1 4.16Å; F1418-V1497 HydrophobicContact CZ-CB 4.5Å; F1418-V1497 HydrophobicContact CZ-CG1 4.34Å; F1418-A1499 HydrophobicContact CD1-CB 4.35Å; F1418-A1499 HydrophobicContact CD2-CB 4.34Å; F1418-A1499 HydrophobicContact CE1-CB 4.12Å; F1418-A1499 HydrophobicContact CE2-CB 3.62Å; F1418-A1499 HydrophobicContact CZ-CB 3.46Å; F1418-A1499 VanDerWaalsContact CZ-CB 3.4Å; F1418-K1509 HydrophobicContact CD2-CB 4.1Å; F1418-K1509 HydrophobicContact CD2-CG 4Å; F1418-K1509 VanDerWaalsContact CD2-CG 3.41Å; F1418-K1509 HydrophobicContact CE2-CB 4.16Å; F1418-K1509 HydrophobicContact CE2-CG 4.12Å; F1418-K1509 WeakPolarHBondContact CE2-O 3.25Å; F1418-H1511 HydrophobicContact CD1-CB 3.87Å; F1418-H1511 AromaticContact CD1-CD2 3.78Å; F1418-H1511 AromaticContact CD1-CG 3.84Å; F1418-H1511 HydrophobicContact CD2-CB 3.91Å; F1418-H1511 HydrophobicContact CE1-CB 3.64Å; F1418-H1511 VanDerWaalsContact CE1-CB 3.49Å; F1418-H1511 AromaticContact CE1-CG 3.98Å; F1418-H1511 HydrophobicContact CE2-CB 3.81Å; F1418-H1511 VanDerWaalsContact CE2-CB 3.45Å; F1418-H1511 HydrophobicContact CG-CB 4Å; F1418-H1511 AromaticContact CG-CD2 3.56Å; F1418-H1511 AromaticContact CG-CG 3.85Å; F1418-H1511 HydrophobicContact CZ-CB 3.65Å
1419D78.6Confident81.2Confident40.2 Ų40.263.2 Ų63.222%0.21534%0.341CS..  trans-73.4143.3174.1-161.4-48.8000109.1R1417 T1421 S1422 K1442R1417-D1419 PolarHBondContact O-N 3.2Å; D1419-T1421 VanDerWaalsContact CG-OG1 3.24Å; D1419-T1421 PolarHBondContact O-N 3.08Å; D1419-T1421 VanDerWaalsContact O-N 3.12Å; D1419-T1421 WeakPolarHBondContact OD1-CB 3.36Å; D1419-T1421 WeakPolarHBondContact OD1-CG2 3.42Å; D1419-T1421 PolarHBondContact OD1-N 2.99Å; D1419-T1421 PolarHBondContact OD1-OG1 3.04Å; D1419-T1421 PolarHBondContact OD2-OG1 2.91Å; D1419-S1422 VanDerWaalsContact O-CB 3.26Å; D1419-S1422 WeakPolarHBondContact O-CB 3.31Å; D1419-S1422 PolarHBondContact O-N 3.25Å; D1419-S1422 PolarHBondContact O-OG 3.03Å; D1419-K1442 HydrophobicContact CB-CB 4Å; D1419-K1442 HydrophobicContact CB-CD 4.4Å; D1419-K1442 HydrophobicContact CB-CG 4.22Å; D1419-K1442 WeakPolarHBondContact CB-O 3.23Å; D1419-K1442 PolarHBondContact N-O 3.16Å
1420F77.1Confident82.1Confident195.6 Ų195.659.9 Ų59.986%0.85832%0.323SS*.THydrogen-bonded Turntrans-66.3-14.6175.865.5-88.9000112.4S1422F1420-S1422 VanDerWaalsContact C-N 3.29Å; F1420-S1422 PolarHBondContact O-N 3.35Å
1421T77.7Confident82.8Confident69.4 Ų69.462.7 Ų62.743%0.42634%0.338SS..THydrogen-bonded Turntrans-8317.1170.267.80000113.7D1419 K1442D1419-T1421 VanDerWaalsContact CG-OG1 3.24Å; D1419-T1421 PolarHBondContact O-N 3.08Å; D1419-T1421 VanDerWaalsContact O-N 3.12Å; D1419-T1421 WeakPolarHBondContact OD1-CB 3.36Å; D1419-T1421 WeakPolarHBondContact OD1-CG2 3.42Å; D1419-T1421 PolarHBondContact OD1-N 2.99Å; D1419-T1421 PolarHBondContact OD1-OG1 3.04Å; D1419-T1421 PolarHBondContact OD2-OG1 2.91Å; T1421-K1442 PolarHBondContact O-NZ 3.08Å; T1421-K1442 PolarHBondContact OG1-NZ 2.87Å; T1421-K1442 VanDerWaalsContact OG1-NZ 3.12Å
1422S85.2Confident83.7Confident7 Ų758.2 Ų58.25%0.04932%0.318CS..SBendtrans-83.6131.7173.7-59.80000110.8D1419 F1420 S1424 K1442 H1511D1419-S1422 VanDerWaalsContact O-CB 3.26Å; D1419-S1422 WeakPolarHBondContact O-CB 3.31Å; D1419-S1422 PolarHBondContact O-N 3.25Å; D1419-S1422 PolarHBondContact O-OG 3.03Å; F1420-S1422 VanDerWaalsContact C-N 3.29Å; F1420-S1422 PolarHBondContact O-N 3.35Å; S1422-S1424 PolarHBondContact O-N 3.01Å; S1422-S1424 VanDerWaalsContact O-N 3.11Å; S1422-S1424 PolarHBondContact O-OG 3.14Å; S1422-K1442 PolarHBondContact OG-N 3.06Å; S1422-K1442 PolarHBondContact OG-O 3.06Å; S1422-H1511 WeakPolarHBondContact CB-NE2 3.24Å; S1422-H1511 PolarHBondContact O-CE1 3.13Å; S1422-H1511 PolarHBondContact O-NE2 3.1Å
1423D86.2Confident84.4Confident56.6 Ų56.659.8 Ų59.830%0.30333%0.331SS..  trans-60129.4-179.4-66.8-31.1000111.4I1426 A1439 T1440 H1511 L1513D1423-I1426 HydrophobicContact CB-CG2 3.95Å; D1423-A1439 HydrophobicContact CB-CB 4.08Å; D1423-A1439 WeakPolarHBondContact OD2-CA 3.34Å; D1423-T1440 WeakPolarHBondContact CB-O 3.22Å; D1423-T1440 PolarHBondContact N-O 3Å; D1423-T1440 VanDerWaalsContact N-O 3.07Å; D1423-T1440 PolarHBondContact OD2-N 2.99Å; D1423-H1511 PolarHBondContact O-CE1 2.95Å; D1423-H1511 VanDerWaalsContact O-CE1 3.24Å; D1423-H1511 PolarHBondContact O-ND1 3.06Å; D1423-H1511 PolarHBondContact O-NE2 2.93Å; D1423-L1513 HydrophobicContact CB-CD1 4.16Å; D1423-L1513 VanDerWaalsContact O-CD1 3.28Å; D1423-L1513 WeakPolarHBondContact O-CD1 3.48Å
1424S84.7Confident84.8Confident66 Ų6660.2 Ų60.246%0.46234%0.336SS..  trans-117-27-178.6-57.60000112.9S1422 H1511 L1513 Q1514S1422-S1424 PolarHBondContact O-N 3.01Å; S1422-S1424 VanDerWaalsContact O-N 3.11Å; S1422-S1424 PolarHBondContact O-OG 3.14Å; S1424-H1511 PolarHBondContact OG-CE1 3.19Å; S1424-H1511 VanDerWaalsContact OG-CE1 3.28Å; S1424-H1511 PolarHBondContact OG-NE2 3.02Å; S1424-L1513 CarbonylContact O-C 3.49Å; S1424-L1513 WeakPolarHBondContact O-CA 3.31Å; S1424-Q1514 PolarHBondContact O-N 2.92Å; S1424-Q1514 VanDerWaalsContact O-N 3.13Å
1425A87.4Confident85.2Confident69 Ų6960.7 Ų60.757%0.5735%0.351SS*.EExtended strand (participates in β ladder)trans-145.5135.2170.300000109Q1514A1425-Q1514 CarbonylContact C-O 3.51Å; A1425-Q1514 VanDerWaalsContact CA-O 3.25Å; A1425-Q1514 WeakPolarHBondContact CA-O 3.34Å; A1425-Q1514 HydrophobicContact CB-CB 4.31Å
1426I89.3Confident85.5Confident23.8 Ų23.863.3 Ų63.312%0.12236%0.359CS..EExtended strand (participates in β ladder)trans-134.3161.1175.558.7161.9000110.5D1423 V1428 V1438 A1439 L1513 Q1514 V1515 T1516D1423-I1426 HydrophobicContact CB-CG2 3.95Å; I1426-V1428 HydrophobicContact CD1-CG2 3.75Å; I1426-V1428 VanDerWaalsContact CD1-CG2 3.5Å; I1426-V1428 HydrophobicContact CG1-CG2 4.17Å; I1426-V1438 HydrophobicContact CD1-CB 3.73Å; I1426-V1438 HydrophobicContact CD1-CG2 3.91Å; I1426-V1438 VanDerWaalsContact CD1-O 3.29Å; I1426-V1438 WeakPolarHBondContact CD1-O 3.42Å; I1426-A1439 HydrophobicContact CD1-CB 3.93Å; I1426-A1439 HydrophobicContact CG1-CB 4.45Å; I1426-A1439 HydrophobicContact CG2-CB 4.21Å; I1426-L1513 HydrophobicContact CB-CD1 4.47Å; I1426-L1513 HydrophobicContact CD1-CD1 4.31Å; I1426-L1513 HydrophobicContact CG1-CD1 4.21Å; I1426-L1513 HydrophobicContact CG2-CD1 4.27Å; I1426-Q1514 WeakPolarHBondContact CG1-O 3.31Å; I1426-Q1514 PolarHBondContact N-O 3.12Å; I1426-V1515 HydrophobicContact CD1-CB 4.38Å; I1426-V1515 HydrophobicContact CD1-CG1 3.9Å; I1426-V1515 HydrophobicContact CD1-CG2 3.88Å; I1426-V1515 HydrophobicContact CG1-CB 4.14Å; I1426-V1515 HydrophobicContact CG1-CG1 3.96Å; I1426-V1515 HydrophobicContact CG1-CG2 3.85Å; I1426-V1515 WeakPolarHBondContact O-CA 3.15Å; I1426-T1516 PolarHBondContact O-N 2.86Å
1427S88.5Confident85.7Confident76.4 Ų76.468.5 Ų68.553%0.53438%0.376SS..EExtended strand (participates in β ladder)trans-124.8134.6171.4-37.60000109.7T1516 L1518S1427-T1516 CarbonylContact C-O 3.47Å; S1427-T1516 VanDerWaalsContact CA-O 3.29Å; S1427-T1516 WeakPolarHBondContact CA-O 3.23Å; S1427-L1518 VanDerWaalsContact CB-CD2 3.47Å; S1427-L1518 VanDerWaalsContact CB-CG 3.45Å
1428V89.2Confident86Confident4.8 Ų4.861.5 Ų61.53%0.02935%0.353CS..EExtended strand (participates in β ladder)trans-133.7126.8-171-178.50000108.5I1426 C1432 V1438 V1481 L1485 V1515 T1516 I1517 L1518I1426-V1428 HydrophobicContact CD1-CG2 3.75Å; I1426-V1428 VanDerWaalsContact CD1-CG2 3.5Å; I1426-V1428 HydrophobicContact CG1-CG2 4.17Å; V1428-C1432 HydrophobicContact CG1-CB 3.59Å; V1428-C1432 VanDerWaalsContact CG1-CB 3.46Å; V1428-C1432 VanDerWaalsContact CG1-SG 3.52Å; V1428-V1438 HydrophobicContact CB-CG1 4.4Å; V1428-V1438 HydrophobicContact CG1-CB 4.44Å; V1428-V1438 HydrophobicContact CG1-CG1 3.89Å; V1428-V1438 HydrophobicContact CG2-CB 3.85Å; V1428-V1438 HydrophobicContact CG2-CG1 3.73Å; V1428-V1438 HydrophobicContact CG2-CG2 4.49Å; V1428-V1481 HydrophobicContact CG1-CG2 4.36Å; V1428-L1485 HydrophobicContact CB-CD1 4.44Å; V1428-L1485 HydrophobicContact CG1-CD1 3.8Å; V1428-V1515 HydrophobicContact CB-CG1 4.32Å; V1428-V1515 HydrophobicContact CG2-CG1 3.8Å; V1428-T1516 PolarHBondContact N-O 3.14Å; V1428-T1516 VanDerWaalsContact O-O 3.1Å; V1428-I1517 HydrophobicContact CB-CD1 4.44Å; V1428-I1517 CarbonylContact O-C 3.45Å; V1428-I1517 VanDerWaalsContact O-CA 3.27Å; V1428-I1517 WeakPolarHBondContact O-CA 3.29Å; V1428-L1518 PolarHBondContact O-N 3.13Å
1429P88.5Confident86.2Confident46.6 Ų46.659.6 Ų59.630%0.30334%0.344SS..EExtended strand (participates in β ladder)trans-68.4150.9173.931.6-35.5000111.2D1431 C1432 L1518 V1520P1429-D1431 VanDerWaalsContact C-N 3.32Å; P1429-D1431 VanDerWaalsContact CB-OD1 3.29Å; P1429-D1431 WeakPolarHBondContact CB-OD1 3.31Å; P1429-D1431 VanDerWaalsContact CG-OD1 3.25Å; P1429-D1431 WeakPolarHBondContact CG-OD1 3.38Å; P1429-D1431 PolarHBondContact O-N 3Å; P1429-C1432 HydrophobicContact CG-CB 4.32Å; P1429-C1432 WeakPolarHBondContact O-CB 3.38Å; P1429-C1432 PolarHBondContact O-N 3Å; P1429-C1432 VanDerWaalsContact O-N 3.09Å; P1429-L1518 WeakPolarHBondContact CA-O 3.36Å; P1429-L1518 HydrophobicContact CB-CB 4.41Å; P1429-V1520 HydrophobicContact CB-CG2 3.85Å
1430E88.9Confident86.7Confident15.6 Ų15.659.1 Ų59.17%0.07334%0.343CS..THydrogen-bonded Turntrans-66.4-31.8-178.867.1-159114.400113.7C1432 L1485 R1487 I1517 L1518 D1519 V1520E1430-C1432 PolarHBondContact O-N 3.06Å; E1430-C1432 VanDerWaalsContact O-N 3.13Å; E1430-L1485 CarbonylContact C-O 3.58Å; E1430-L1485 HydrophobicContact CB-CB 4.39Å; E1430-L1485 VanDerWaalsContact O-O 3.11Å; E1430-R1487 HydrophobicContact CB-CB 4.27Å; E1430-R1487 VanDerWaalsContact CD-CB 3.43Å; E1430-R1487 HydrophobicContact CG-CB 4.4Å; E1430-R1487 VanDerWaalsContact OE1-CB 3.3Å; E1430-R1487 WeakPolarHBondContact OE1-CB 3.29Å; E1430-R1487 IonicContact OE1-CZ 3.71Å; E1430-R1487 IonicContact OE1-NE 3.79Å; E1430-R1487 IonicContact OE1-NH2 2.91Å; E1430-R1487 WeakPolarHBondContact OE2-CB 3.3Å; E1430-R1487 PolarHBondContact OE2-N 2.84Å; E1430-I1517 HydrophobicContact CB-CG2 3.77Å; E1430-L1518 PolarHBondContact N-O 3.39Å; E1430-L1518 VanDerWaalsContact N-O 3.08Å; E1430-D1519 VanDerWaalsContact OE1-CA 3.24Å; E1430-D1519 WeakPolarHBondContact OE1-CA 3.24Å; E1430-V1520 HydrophobicContact CG-CB 4.11Å; E1430-V1520 HydrophobicContact CG-CG2 4.04Å; E1430-V1520 PolarHBondContact OE1-N 3.06Å
1431D86.5Confident87.3Confident109.2 Ų109.249.8 Ų49.858%0.58430%0.302SS*.THydrogen-bonded Turntrans-65.5-3.4173.883.3-27.6000114P1429 P1433 V1520P1429-D1431 VanDerWaalsContact C-N 3.32Å; P1429-D1431 VanDerWaalsContact CB-OD1 3.29Å; P1429-D1431 WeakPolarHBondContact CB-OD1 3.31Å; P1429-D1431 VanDerWaalsContact CG-OD1 3.25Å; P1429-D1431 WeakPolarHBondContact CG-OD1 3.38Å; P1429-D1431 PolarHBondContact O-N 3Å; D1431-P1433 VanDerWaalsContact O-CD 3.26Å; D1431-P1433 WeakPolarHBondContact O-CD 3.39Å; D1431-P1433 VanDerWaalsContact O-N 3.09Å; D1431-V1520 HydrophobicContact CB-CG1 4.31Å; D1431-V1520 HydrophobicContact CB-CG2 4.21Å
1432C86.8Confident87.7Confident9.6 Ų9.649.4 Ų49.47%0.06529%0.294CS..PPolyproline II helixtrans-57.6118.2-176.5-176.30000111.7V1428 P1429 E1430 V1434 Q1436 V1438 V1481 L1485V1428-C1432 HydrophobicContact CG1-CB 3.59Å; V1428-C1432 VanDerWaalsContact CG1-CB 3.46Å; V1428-C1432 VanDerWaalsContact CG1-SG 3.52Å; P1429-C1432 HydrophobicContact CG-CB 4.32Å; P1429-C1432 WeakPolarHBondContact O-CB 3.38Å; P1429-C1432 PolarHBondContact O-N 3Å; P1429-C1432 VanDerWaalsContact O-N 3.09Å; E1430-C1432 PolarHBondContact O-N 3.06Å; E1430-C1432 VanDerWaalsContact O-N 3.13Å; C1432-V1434 PolarHBondContact O-N 3.29Å; C1432-Q1436 PolarHBondContact SG-NE2 3.24Å; C1432-V1438 WeakPolarHBondContact SG-CG1 3.41Å; C1432-V1481 HydrophobicContact CB-CG2 4.49Å; C1432-L1485 HydrophobicContact CB-CD1 4.39Å
1433P86.8Confident87.7Confident81.8 Ų81.849.2 Ų49.253%0.53129%0.293SS..PPolyproline II helixtrans-65.9141.5-172.214.7-21.5000113.1D1431 G1435 Q1436D1431-P1433 VanDerWaalsContact O-CD 3.26Å; D1431-P1433 WeakPolarHBondContact O-CD 3.39Å; D1431-P1433 VanDerWaalsContact O-N 3.09Å; P1433-G1435 PolarHBondContact O-N 3.13Å; P1433-Q1436 HydrophobicContact CG-CB 4.34Å; P1433-Q1436 VanDerWaalsContact O-CB 3.23Å; P1433-Q1436 WeakPolarHBondContact O-CB 3.32Å; P1433-Q1436 PolarHBondContact O-N 2.93Å
1434V86.9Confident87.6Confident83.2 Ų83.254.2 Ų54.250%0.50431%0.307SS..THydrogen-bonded Turntrans-57.5129.3173.7-176.50000110.5C1432 V1481 A1482 K1483 P1484C1432-V1434 PolarHBondContact O-N 3.29Å; V1434-V1481 HydrophobicContact CG2-CG1 4.49Å; V1434-A1482 WeakPolarHBondContact CG1-O 3.31Å; V1434-K1483 VanDerWaalsContact CG2-C 3.48Å; V1434-P1484 HydrophobicContact CG2-CB 4.26Å; V1434-P1484 HydrophobicContact CG2-CG 4.01Å
1435G86.4Confident87.4Confident51.4 Ų51.452 Ų5253%0.5329%0.291SS..THydrogen-bonded Turntrans96.2-1.5-173.200000114.5P1433 F1480 V1481P1433-G1435 PolarHBondContact O-N 3.13Å; G1435-F1480 VanDerWaalsContact O-CD1 3.28Å; G1435-F1480 WeakPolarHBondContact O-CD1 3.38Å; G1435-V1481 WeakPolarHBondContact CA-O 3.34Å; G1435-V1481 PolarHBondContact N-O 2.82Å
1436Q87.2Confident87.1Confident97.4 Ų97.451.7 Ų51.746%0.45528%0.283SS..  trans-77.4135.6175.5-177.3100.2-26.200111.8C1432 P1433 F1480 V1481C1432-Q1436 PolarHBondContact SG-NE2 3.24Å; P1433-Q1436 HydrophobicContact CG-CB 4.34Å; P1433-Q1436 VanDerWaalsContact O-CB 3.23Å; P1433-Q1436 WeakPolarHBondContact O-CB 3.32Å; P1433-Q1436 PolarHBondContact O-N 2.93Å; Q1436-F1480 CarbonylContact O-C 3.51Å; Q1436-F1480 VanDerWaalsContact O-CA 3.25Å; Q1436-F1480 WeakPolarHBondContact O-CA 3.34Å; Q1436-V1481 PolarHBondContact O-N 2.87Å
1437R90Very high86.8Confident122.4 Ų122.451.4 Ų51.446%0.46228%0.282SS..EExtended strand (participates in β ladder)trans-77.5125.4173.4-170.8-173.961169.32.3110.1A1439 T1440 E1478 V1479 F1480R1437-A1439 WeakPolarHBondContact CG-O 3.36Å; R1437-T1440 WeakPolarHBondContact CD-OG1 3.46Å; R1437-T1440 PolarHBondContact NE-OG1 2.93Å; R1437-T1440 PolarHBondContact NH1-OG1 3.04Å; R1437-E1478 VanDerWaalsContact CD-CG 3.47Å; R1437-E1478 VanDerWaalsContact CD-OE1 3.26Å; R1437-E1478 WeakPolarHBondContact CD-OE1 3.34Å; R1437-E1478 HydrophobicContact CG-CB 4.19Å; R1437-E1478 HydrophobicContact CG-CG 4.31Å; R1437-E1478 IonicContact CZ-OE1 2.91Å; R1437-E1478 IonicContact NE-OE1 3.11Å; R1437-E1478 PolarHBondContact NE-OE1 2.89Å; R1437-E1478 IonicContact NH1-OE1 2.76Å; R1437-E1478 PolarHBondContact NH1-OE1 2.85Å; R1437-V1479 CarbonylContact C-O 3.36Å; R1437-V1479 VanDerWaalsContact CA-O 3.27Å; R1437-V1479 WeakPolarHBondContact CA-O 3.38Å; R1437-V1479 WeakPolarHBondContact CG-O 3.26Å; R1437-F1480 VanDerWaalsContact CA-CD1 3.49Å; R1437-F1480 HydrophobicContact CB-CD1 3.78Å; R1437-F1480 HydrophobicContact CB-CE1 3.56Å; R1437-F1480 VanDerWaalsContact CB-CE1 3.44Å; R1437-F1480 HydrophobicContact CB-CG 4.47Å; R1437-F1480 HydrophobicContact CB-CZ 4.12Å; R1437-F1480 HydrophobicContact CG-CD1 4.27Å; R1437-F1480 HydrophobicContact CG-CE1 4.02Å; R1437-F1480 HydrophobicContact CG-CE2 4.43Å; R1437-F1480 HydrophobicContact CG-CZ 4.1Å
1438V89.5Confident86.2Confident25.4 Ų25.450 Ų5015%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-113.3-29.3-175.9-69.40000114.3I1426 V1428 C1432 F1467 V1479 V1481I1426-V1438 HydrophobicContact CD1-CB 3.73Å; I1426-V1438 HydrophobicContact CD1-CG2 3.91Å; I1426-V1438 VanDerWaalsContact CD1-O 3.29Å; I1426-V1438 WeakPolarHBondContact CD1-O 3.42Å; V1428-V1438 HydrophobicContact CB-CG1 4.4Å; V1428-V1438 HydrophobicContact CG1-CB 4.44Å; V1428-V1438 HydrophobicContact CG1-CG1 3.89Å; V1428-V1438 HydrophobicContact CG2-CB 3.85Å; V1428-V1438 HydrophobicContact CG2-CG1 3.73Å; V1428-V1438 HydrophobicContact CG2-CG2 4.49Å; C1432-V1438 WeakPolarHBondContact SG-CG1 3.41Å; V1438-F1467 HydrophobicContact CG2-CD1 4Å; V1438-F1467 HydrophobicContact CG2-CE1 3.98Å; V1438-V1479 HydrophobicContact CG2-CB 4.39Å; V1438-V1479 HydrophobicContact CG2-CG1 4.14Å; V1438-V1479 WeakPolarHBondContact CG2-O 3.27Å; V1438-V1479 PolarHBondContact N-O 2.98Å; V1438-V1481 HydrophobicContact CB-CG2 4.43Å; V1438-V1481 HydrophobicContact CG1-CG2 3.57Å; V1438-V1481 VanDerWaalsContact CG1-CG2 3.48Å; V1438-V1481 HydrophobicContact CG2-CG2 4.18Å
1439A88.4Confident85.7Confident0.4 Ų0.452.5 Ų52.50%0.00330%0.302CS..EExtended strand (participates in β ladder)trans-140.5158.8176.500000112.1D1423 I1426 R1437 V1479 L1513D1423-A1439 HydrophobicContact CB-CB 4.08Å; D1423-A1439 WeakPolarHBondContact OD2-CA 3.34Å; I1426-A1439 HydrophobicContact CD1-CB 3.93Å; I1426-A1439 HydrophobicContact CG1-CB 4.45Å; I1426-A1439 HydrophobicContact CG2-CB 4.21Å; R1437-A1439 WeakPolarHBondContact CG-O 3.36Å; A1439-V1479 HydrophobicContact CB-CB 3.99Å; A1439-V1479 HydrophobicContact CB-CG1 4.49Å; A1439-V1479 HydrophobicContact CB-CG2 4.22Å; A1439-V1479 PolarHBondContact N-O 3.03Å; A1439-V1479 PolarHBondContact O-N 2.89Å; A1439-L1513 HydrophobicContact CB-CD1 4.04Å; A1439-L1513 HydrophobicContact CB-CD2 3.57Å; A1439-L1513 VanDerWaalsContact CB-CD2 3.49Å; A1439-L1513 HydrophobicContact CB-CG 4.41Å
1440T89.8Confident85.2Confident30 Ų3053.7 Ų53.718%0.18431%0.311CS..EExtended strand (participates in β ladder)trans-136.2116.9176.6-52.30000110D1423 R1437 K1442 I1476 G1477 E1478D1423-T1440 WeakPolarHBondContact CB-O 3.22Å; D1423-T1440 PolarHBondContact N-O 3Å; D1423-T1440 VanDerWaalsContact N-O 3.07Å; D1423-T1440 PolarHBondContact OD2-N 2.99Å; R1437-T1440 WeakPolarHBondContact CD-OG1 3.46Å; R1437-T1440 PolarHBondContact NE-OG1 2.93Å; R1437-T1440 PolarHBondContact NH1-OG1 3.04Å; T1440-K1442 HydrophobicContact CG2-CB 4.34Å; T1440-I1476 HydrophobicContact CG2-CG2 3.57Å; T1440-I1476 VanDerWaalsContact CG2-CG2 3.41Å; T1440-G1477 CarbonylContact C-O 3.57Å; T1440-G1477 WeakPolarHBondContact CA-O 3.42Å; T1440-E1478 HydrophobicContact CG2-CG 4.3Å
1441V88.3Confident84.6Confident0 Ų055 Ų550%032%0.319CS..EExtended strand (participates in β ladder)trans-102148.1169.4-62.90000109.6F1418 F1456 I1469 I1476 G1477 V1497F1418-V1441 HydrophobicContact CD1-CB 4.32Å; F1418-V1441 HydrophobicContact CE1-CB 4Å; F1418-V1441 HydrophobicContact CE1-CG1 4.39Å; F1418-V1441 HydrophobicContact CE1-CG2 4.22Å; V1441-F1456 HydrophobicContact CB-CE1 4.46Å; V1441-F1456 HydrophobicContact CG2-CD1 3.57Å; V1441-F1456 HydrophobicContact CG2-CE1 3.8Å; V1441-F1456 HydrophobicContact CG2-CG 4.26Å; V1441-F1456 HydrophobicContact CG2-CZ 4.47Å; V1441-F1456 WeakPolarHBondContact O-CE1 3.13Å; V1441-I1469 HydrophobicContact CG2-CD1 4.13Å; V1441-I1476 CarbonylContact O-C 3.28Å; V1441-I1476 WeakPolarHBondContact O-CA 3.19Å; V1441-G1477 VanDerWaalsContact CG2-O 3.29Å; V1441-G1477 WeakPolarHBondContact CG2-O 3.3Å; V1441-G1477 PolarHBondContact N-O 3.15Å; V1441-G1477 PolarHBondContact O-N 3Å; V1441-V1497 HydrophobicContact CG1-CG1 4.32Å; V1441-V1497 HydrophobicContact CG1-CG2 4.41Å; V1441-V1497 HydrophobicContact CG2-CG1 3.92Å
1442K87.9Confident84.2Confident60.6 Ų60.650.7 Ų50.726%0.26330%0.299SS..EExtended strand (participates in β ladder)trans-134.8142.1-178.7-94.4178.3-168.8146.40110.7F1418 D1419 T1421 S1422 T1440 S1475 I1476F1418-K1442 CarbonylContact C-O 3.52Å; F1418-K1442 VanDerWaalsContact CA-O 3.28Å; F1418-K1442 WeakPolarHBondContact CA-O 3.3Å; F1418-K1442 WeakPolarHBondContact CD1-O 3.13Å; D1419-K1442 HydrophobicContact CB-CB 4Å; D1419-K1442 HydrophobicContact CB-CD 4.4Å; D1419-K1442 HydrophobicContact CB-CG 4.22Å; D1419-K1442 WeakPolarHBondContact CB-O 3.23Å; D1419-K1442 PolarHBondContact N-O 3.16Å; T1421-K1442 PolarHBondContact O-NZ 3.08Å; T1421-K1442 PolarHBondContact OG1-NZ 2.87Å; T1421-K1442 VanDerWaalsContact OG1-NZ 3.12Å; S1422-K1442 PolarHBondContact OG-N 3.06Å; S1422-K1442 PolarHBondContact OG-O 3.06Å; T1440-K1442 HydrophobicContact CG2-CB 4.34Å; K1442-S1475 CarbonylContact C-O 3.51Å; K1442-S1475 VanDerWaalsContact CA-O 3.26Å; K1442-S1475 WeakPolarHBondContact CA-O 3.34Å; K1442-S1475 WeakPolarHBondContact CG-O 3.37Å; K1442-I1476 HydrophobicContact CD-CD1 4.31Å; K1442-I1476 HydrophobicContact CD-CG1 4.31Å; K1442-I1476 HydrophobicContact CG-CB 4.48Å; K1442-I1476 HydrophobicContact CG-CG1 4.21Å; K1442-I1476 HydrophobicContact CG-CG2 4.26Å
1443A85.4Confident84Confident2.2 Ų2.253.1 Ų53.12%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-145.2148.6174.500000110.7P1416 R1417 F1418 V1454 F1456 S1475 A1499P1416-A1443 HydrophobicContact CB-CB 4.36Å; R1417-A1443 CarbonylContact O-C 3.55Å; R1417-A1443 WeakPolarHBondContact O-CA 3.35Å; R1417-A1443 WeakPolarHBondContact O-CB 3.33Å; F1418-A1443 HydrophobicContact CD1-CB 4.27Å; F1418-A1443 HydrophobicContact CD2-CB 4.36Å; F1418-A1443 HydrophobicContact CE1-CB 4.4Å; F1418-A1443 HydrophobicContact CG-CB 4.18Å; A1443-V1454 HydrophobicContact CB-CG1 4.11Å; A1443-V1454 HydrophobicContact CB-CG2 4.18Å; A1443-F1456 HydrophobicContact CB-CE1 3.74Å; A1443-F1456 HydrophobicContact CB-CZ 3.8Å; A1443-S1475 PolarHBondContact N-O 3.01Å; A1443-S1475 CarbonylContact O-C 3.54Å; A1443-S1475 VanDerWaalsContact O-CA 3.27Å; A1443-S1475 WeakPolarHBondContact O-CA 3.35Å; A1443-S1475 VanDerWaalsContact O-CB 3.27Å; A1443-S1475 WeakPolarHBondContact O-CB 3.28Å; A1443-S1475 VanDerWaalsContact O-O 3.06Å; A1443-A1499 HydrophobicContact CB-CB 4.07Å
1444R82.3Confident83.9Confident161.8 Ų161.849.2 Ų49.261%0.61129%0.285SS*.EExtended strand (participates in β ladder)trans-129.9145.1-178.4-69.9-177180-94.25.5110.5P1416 R1417P1416-R1444 CarbonylContact C-O 3.35Å; P1416-R1444 WeakPolarHBondContact CA-O 3.29Å; P1416-R1444 WeakPolarHBondContact CB-O 3.2Å; R1417-R1444 PolarHBondContact N-O 3.06Å; R1417-R1444 PolarHBondContact O-N 3Å
1445D82.4Confident84Confident20.2 Ų20.247.6 Ų47.611%0.10828%0.275CS..  trans-122.2126.4170.5-147.9-49.9000108.7N1414 S1415 P1416 D1447 G1452 V1454N1414-D1445 VanDerWaalsContact CB-OD1 3.24Å; N1414-D1445 WeakPolarHBondContact CB-OD1 3.18Å; S1415-D1445 WeakPolarHBondContact CA-OD1 3.29Å; S1415-D1445 WeakPolarHBondContact CA-OD2 3.28Å; S1415-D1445 VanDerWaalsContact N-CG 3.34Å; S1415-D1445 PolarHBondContact N-OD1 2.89Å; S1415-D1445 PolarHBondContact N-OD2 2.98Å; P1416-D1445 WeakPolarHBondContact CA-OD2 3.35Å; P1416-D1445 HydrophobicContact CB-CB 4.13Å; P1416-D1445 VanDerWaalsContact CB-OD1 3.3Å; P1416-D1445 WeakPolarHBondContact CB-OD1 2.9Å; P1416-D1445 WeakPolarHBondContact CB-OD2 3.27Å; P1416-D1445 WeakPolarHBondContact CD-OD1 3.44Å; P1416-D1445 WeakPolarHBondContact CD-OD2 3.33Å; P1416-D1445 HydrophobicContact CG-CB 4.29Å; P1416-D1445 WeakPolarHBondContact CG-OD1 2.94Å; P1416-D1445 VanDerWaalsContact CG-OD2 3.32Å; P1416-D1445 WeakPolarHBondContact CG-OD2 3.34Å; P1416-D1445 VanDerWaalsContact N-OD2 3.08Å; D1445-D1447 VanDerWaalsContact C-N 3.29Å; D1445-D1447 PolarHBondContact O-N 2.91Å; D1445-D1447 WeakPolarHBondContact OD1-CB 3.44Å; D1445-D1447 VanDerWaalsContact OD1-CG 3.31Å; D1445-D1447 PolarHBondContact OD1-N 3.25Å; D1445-D1447 VanDerWaalsContact OD1-N 3.13Å; D1445-G1452 WeakPolarHBondContact O-CA 3.42Å; D1445-V1454 HydrophobicContact CB-CG2 4Å
1446P79.7Confident84.2Confident62.4 Ų62.445.7 Ų45.741%0.40525%0.252SS..  trans-72.7-10.8-178.60.24.4000116.4R1379 E1380 N1414 S1415R1379-P1446 PolarHBondContact NH2-O 2.9Å; E1380-P1446 HydrophobicContact CB-CB 4.25Å; E1380-P1446 HydrophobicContact CG-CB 3.92Å; E1380-P1446 HydrophobicContact CG-CG 3.76Å; N1414-P1446 VanDerWaalsContact C-CB 3.42Å; N1414-P1446 HydrophobicContact CB-CB 4.21Å; N1414-P1446 HydrophobicContact CB-CG 3.95Å; N1414-P1446 PolarHBondContact N-O 3.01Å; S1415-P1446 VanDerWaalsContact N-CD 3.29Å; S1415-P1446 WeakPolarHBondContact O-CD 3.44Å; S1415-P1446 VanDerWaalsContact O-CG 3.25Å; S1415-P1446 WeakPolarHBondContact O-CG 3.21Å
1447D84Confident84.3Confident18 Ų1843.6 Ų43.610%0.09625%0.248CC..SBendtrans-69.2157.4-176.8-64.5-0000112.3D1410 N1412 D1413 N1414 D1445 G1449 N1451 G1452D1410-D1447 WeakPolarHBondContact OD1-CA 3.25Å; N1412-D1447 VanDerWaalsContact CA-OD2 3.31Å; N1412-D1447 WeakPolarHBondContact CA-OD2 3.3Å; N1412-D1447 PolarHBondContact OD1-OD2 2.9Å; D1413-D1447 PolarHBondContact N-OD1 3.38Å; D1413-D1447 PolarHBondContact N-OD2 3.03Å; D1413-D1447 VanDerWaalsContact N-OD2 3.11Å; N1414-D1447 WeakPolarHBondContact CB-OD1 3.31Å; N1414-D1447 PolarHBondContact N-OD1 3.05Å; N1414-D1447 PolarHBondContact N-OD2 2.84Å; N1414-D1447 VanDerWaalsContact N-OD2 3.1Å; N1414-D1447 PolarHBondContact ND2-OD1 3.01Å; N1414-D1447 VanDerWaalsContact O-OD1 3.12Å; D1445-D1447 VanDerWaalsContact C-N 3.29Å; D1445-D1447 PolarHBondContact O-N 2.91Å; D1445-D1447 WeakPolarHBondContact OD1-CB 3.44Å; D1445-D1447 VanDerWaalsContact OD1-CG 3.31Å; D1445-D1447 PolarHBondContact OD1-N 3.25Å; D1445-D1447 VanDerWaalsContact OD1-N 3.13Å; D1447-G1449 VanDerWaalsContact C-N 3.31Å; D1447-G1449 PolarHBondContact O-N 3.35Å; D1447-N1451 HydrophobicContact CB-CB 3.51Å; D1447-N1451 VanDerWaalsContact CB-CB 3.43Å; D1447-N1451 WeakPolarHBondContact OD2-CB 3.16Å; D1447-N1451 PolarHBondContact OD2-ND2 2.91Å; D1447-G1452 WeakPolarHBondContact O-CA 3.18Å; D1447-G1452 PolarHBondContact O-N 2.84Å
1448A75.7Confident84.3Confident48 Ų4839.8 Ų39.840%0.39724%0.237SC..SBendtrans-84.5141.5179.800000113.7D1410 S1450 N1451 G1452D1410-A1448 HydrophobicContact CB-CB 3.92Å; D1410-A1448 VanDerWaalsContact CG-CB 3.47Å; D1410-A1448 VanDerWaalsContact CG-N 3.25Å; D1410-A1448 WeakPolarHBondContact OD1-CA 3.43Å; D1410-A1448 VanDerWaalsContact OD1-CB 3.23Å; D1410-A1448 WeakPolarHBondContact OD1-CB 3.37Å; D1410-A1448 PolarHBondContact OD1-N 2.99Å; D1410-A1448 PolarHBondContact OD2-N 3.15Å; D1410-A1448 VanDerWaalsContact OD2-N 3.09Å; A1448-S1450 PolarHBondContact O-N 2.96Å; A1448-S1450 VanDerWaalsContact O-N 3.17Å; A1448-N1451 VanDerWaalsContact O-CB 3.27Å; A1448-N1451 WeakPolarHBondContact O-CB 3.32Å; A1448-N1451 VanDerWaalsContact O-CG 3.31Å; A1448-N1451 PolarHBondContact O-N 3.2Å; A1448-N1451 VanDerWaalsContact O-N 3.13Å; A1448-N1451 PolarHBondContact O-ND2 2.9Å; A1448-G1452 PolarHBondContact O-N 3.13Å
1449G79.4Confident84.1Confident57.2 Ų57.241.6 Ų41.659%0.5926%0.255SS*.THydrogen-bonded Turntrans77.7-132.5170.500000113.9D1447 N1451 G1452 Q1453D1447-G1449 VanDerWaalsContact C-N 3.31Å; D1447-G1449 PolarHBondContact O-N 3.35Å; G1449-N1451 VanDerWaalsContact C-N 3.3Å; G1449-N1451 PolarHBondContact O-N 3.1Å; G1449-G1452 PolarHBondContact O-N 3Å; G1449-Q1453 WeakPolarHBondContact O-CG 3.22Å; G1449-Q1453 PolarHBondContact O-NE2 2.88Å
1450S76.7Confident83.9Confident71.4 Ų71.444.8 Ų44.850%0.49928%0.277SS..THydrogen-bonded Turntrans-71.7-17.8-179.6-240000114A1448 G1452 Q1453 R1502A1448-S1450 PolarHBondContact O-N 2.96Å; A1448-S1450 VanDerWaalsContact O-N 3.17Å; S1450-G1452 VanDerWaalsContact C-N 3.27Å; S1450-G1452 PolarHBondContact O-N 3.12Å; S1450-Q1453 WeakPolarHBondContact O-CG 3.39Å; S1450-Q1453 PolarHBondContact O-N 3.01Å; S1450-R1502 CarbonylContact O-C 3.51Å; S1450-R1502 WeakPolarHBondContact O-CA 3.49Å; S1450-R1502 VanDerWaalsContact O-CB 3.32Å; S1450-R1502 WeakPolarHBondContact O-CB 3.27Å; S1450-R1502 PolarHBondContact O-N 3.27Å; S1450-R1502 VanDerWaalsContact O-N 3.16Å
1451N77.3Confident83.7Confident43 Ų4345 Ų4523%0.2329%0.285CS..THydrogen-bonded Turntrans-68.6-37177.7-59.8-18.3000110.2D1410 E1411 N1412 D1447 A1448 G1449 Q1453 D1501 G1503D1410-N1451 PolarHBondContact OD2-ND2 3.05Å; E1411-N1451 VanDerWaalsContact C-ND2 3.27Å; N1412-N1451 HydrophobicContact CB-CB 4.1Å; N1412-N1451 VanDerWaalsContact CB-CG 3.41Å; N1412-N1451 WeakPolarHBondContact CB-OD1 3.45Å; N1412-N1451 PolarHBondContact N-ND2 2.99Å; N1412-N1451 VanDerWaalsContact ND2-CB 3.35Å; N1412-N1451 WeakPolarHBondContact ND2-CB 3.47Å; N1412-N1451 PolarHBondContact ND2-OD1 3.41Å; N1412-N1451 WeakPolarHBondContact OD1-CA 3.16Å; N1412-N1451 WeakPolarHBondContact OD1-CB 3.33Å; N1412-N1451 PolarHBondContact OD1-O 2.85Å; N1412-N1451 PolarHBondContact OD1-OD1 3.41Å; D1447-N1451 HydrophobicContact CB-CB 3.51Å; D1447-N1451 VanDerWaalsContact CB-CB 3.43Å; D1447-N1451 WeakPolarHBondContact OD2-CB 3.16Å; D1447-N1451 PolarHBondContact OD2-ND2 2.91Å; A1448-N1451 VanDerWaalsContact O-CB 3.27Å; A1448-N1451 WeakPolarHBondContact O-CB 3.32Å; A1448-N1451 VanDerWaalsContact O-CG 3.31Å; A1448-N1451 PolarHBondContact O-N 3.2Å; A1448-N1451 VanDerWaalsContact O-N 3.13Å; A1448-N1451 PolarHBondContact O-ND2 2.9Å; G1449-N1451 VanDerWaalsContact C-N 3.3Å; G1449-N1451 PolarHBondContact O-N 3.1Å; N1451-Q1453 PolarHBondContact O-N 3.07Å; N1451-D1501 VanDerWaalsContact O-CB 3.24Å; N1451-D1501 WeakPolarHBondContact O-CB 3.42Å; N1451-G1503 VanDerWaalsContact OD1-CA 3.29Å; N1451-G1503 WeakPolarHBondContact OD1-CA 3.44Å
1452G77.2Confident83.7Confident17.6 Ų17.647.3 Ų47.318%0.18130%0.297CS..THydrogen-bonded Turntrans-809.117900000117.2D1445 D1447 A1448 G1449 S1450D1445-G1452 WeakPolarHBondContact O-CA 3.42Å; D1447-G1452 WeakPolarHBondContact O-CA 3.18Å; D1447-G1452 PolarHBondContact O-N 2.84Å; A1448-G1452 PolarHBondContact O-N 3.13Å; G1449-G1452 PolarHBondContact O-N 3Å; S1450-G1452 VanDerWaalsContact C-N 3.27Å; S1450-G1452 PolarHBondContact O-N 3.12Å
1453Q82.3Confident83.4Confident59.8 Ų59.849.2 Ų49.228%0.27931%0.309SS..  trans-102.2122.6-169.1-73.9-173.4-12.600113.2G1449 S1450 N1451 D1474 D1501 R1502G1449-Q1453 WeakPolarHBondContact O-CG 3.22Å; G1449-Q1453 PolarHBondContact O-NE2 2.88Å; S1450-Q1453 WeakPolarHBondContact O-CG 3.39Å; S1450-Q1453 PolarHBondContact O-N 3.01Å; N1451-Q1453 PolarHBondContact O-N 3.07Å; Q1453-D1474 CarbonylContact C-O 3.45Å; Q1453-D1474 WeakPolarHBondContact CA-O 3.35Å; Q1453-D1474 HydrophobicContact CB-CB 3.93Å; Q1453-D1474 VanDerWaalsContact CB-CB 3.47Å; Q1453-D1474 HydrophobicContact CG-CB 4.05Å; Q1453-D1474 PolarHBondContact NE2-OD2 2.77Å; Q1453-D1474 PolarHBondContact OE1-OD2 3.42Å; Q1453-D1501 CarbonylContact O-C 3.52Å; Q1453-D1501 VanDerWaalsContact O-C 3.31Å; Q1453-D1501 VanDerWaalsContact O-CA 3.29Å; Q1453-D1501 WeakPolarHBondContact O-CA 3.27Å; Q1453-D1501 VanDerWaalsContact O-CB 3.22Å; Q1453-D1501 WeakPolarHBondContact O-CB 3.47Å; Q1453-R1502 HydrophobicContact CB-CB 4.17Å; Q1453-R1502 HydrophobicContact CB-CG 4.23Å; Q1453-R1502 PolarHBondContact O-N 3.01Å; Q1453-R1502 VanDerWaalsContact O-N 3.14Å
1454V84.9Confident83.3Confident1.6 Ų1.652.6 Ų52.61%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-110.3142.7-170.8-166.90000113.7P1416 A1443 D1445 F1456 T1471 D1474 A1499 S1500 D1501P1416-V1454 HydrophobicContact CB-CB 4.43Å; P1416-V1454 HydrophobicContact CB-CG1 3.86Å; P1416-V1454 HydrophobicContact CB-CG2 3.94Å; P1416-V1454 HydrophobicContact CG-CB 4.43Å; P1416-V1454 HydrophobicContact CG-CG1 4.09Å; P1416-V1454 HydrophobicContact CG-CG2 4.08Å; A1443-V1454 HydrophobicContact CB-CG1 4.11Å; A1443-V1454 HydrophobicContact CB-CG2 4.18Å; D1445-V1454 HydrophobicContact CB-CG2 4Å; V1454-F1456 HydrophobicContact CB-CE2 4.28Å; V1454-F1456 HydrophobicContact CB-CZ 4.32Å; V1454-F1456 HydrophobicContact CG1-CE1 4.25Å; V1454-F1456 HydrophobicContact CG1-CE2 4.07Å; V1454-F1456 HydrophobicContact CG1-CZ 3.98Å; V1454-T1471 WeakPolarHBondContact O-CG2 3.35Å; V1454-D1474 WeakPolarHBondContact CA-O 3.39Å; V1454-D1474 WeakPolarHBondContact CB-O 3.44Å; V1454-D1474 WeakPolarHBondContact CG2-O 3.46Å; V1454-D1474 PolarHBondContact N-O 3.21Å; V1454-D1474 CarbonylContact O-C 3.41Å; V1454-D1474 VanDerWaalsContact O-C 3.22Å; V1454-D1474 VanDerWaalsContact O-CA 3.26Å; V1454-D1474 WeakPolarHBondContact O-CA 3.41Å; V1454-A1499 HydrophobicContact CG1-CB 3.79Å; V1454-S1500 CarbonylContact C-O 3.52Å; V1454-S1500 VanDerWaalsContact CA-O 3.3Å; V1454-S1500 WeakPolarHBondContact CA-O 3.36Å; V1454-S1500 VanDerWaalsContact CG1-C 3.48Å; V1454-S1500 VanDerWaalsContact CG1-O 3.22Å; V1454-S1500 WeakPolarHBondContact CG1-O 3.15Å; V1454-D1501 HydrophobicContact CG2-CB 4.23Å
1455V88.6Confident83.4Confident49.6 Ų49.646.4 Ų46.430%0.30132%0.324SS..EExtended strand (participates in β ladder)trans-130.3136.7178.7-175.50000111.2T1471 A1499 S1500 R1502V1455-T1471 WeakPolarHBondContact CA-OG1 3.28Å; V1455-T1471 HydrophobicContact CB-CG2 4.25Å; V1455-T1471 HydrophobicContact CG1-CG2 4.25Å; V1455-T1471 WeakPolarHBondContact CG1-OG1 3.41Å; V1455-T1471 HydrophobicContact CG2-CG2 4.32Å; V1455-A1499 CarbonylContact O-C 3.45Å; V1455-A1499 VanDerWaalsContact O-CA 3.26Å; V1455-A1499 WeakPolarHBondContact O-CA 3.35Å; V1455-S1500 PolarHBondContact N-O 2.95Å; V1455-S1500 PolarHBondContact O-N 3.15Å; V1455-R1502 HydrophobicContact CG2-CG 4.01Å; V1455-R1502 VanDerWaalsContact CG2-NE 3.31Å; V1455-R1502 VanDerWaalsContact CG2-NH2 3.34Å
1456F90.4Very high83.7Confident11.2 Ų11.245.5 Ų45.55%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-109.9153.3-176.2-57.2-96.2000113.6F1418 V1441 A1443 V1454 I1469 T1471 S1475 I1476 G1477 V1497 V1498 A1499F1418-F1456 HydrophobicContact CD1-CE1 4.29Å; F1418-F1456 AromaticContact CE1-CD1 3.85Å; F1418-F1456 HydrophobicContact CE1-CD1 4.03Å; F1418-F1456 AromaticContact CE1-CE1 3.66Å; F1418-F1456 HydrophobicContact CE1-CE1 3.66Å; F1418-F1456 VanDerWaalsContact CE1-CE1 3.43Å; F1418-F1456 AromaticContact CZ-CD1 3.98Å; F1418-F1456 HydrophobicContact CZ-CD1 4.19Å; F1418-F1456 AromaticContact CZ-CE1 3.87Å; F1418-F1456 HydrophobicContact CZ-CE1 4.12Å; V1441-F1456 HydrophobicContact CB-CE1 4.46Å; V1441-F1456 HydrophobicContact CG2-CD1 3.57Å; V1441-F1456 HydrophobicContact CG2-CE1 3.8Å; V1441-F1456 HydrophobicContact CG2-CG 4.26Å; V1441-F1456 HydrophobicContact CG2-CZ 4.47Å; V1441-F1456 WeakPolarHBondContact O-CE1 3.13Å; A1443-F1456 HydrophobicContact CB-CE1 3.74Å; A1443-F1456 HydrophobicContact CB-CZ 3.8Å; V1454-F1456 HydrophobicContact CB-CE2 4.28Å; V1454-F1456 HydrophobicContact CB-CZ 4.32Å; V1454-F1456 HydrophobicContact CG1-CE1 4.25Å; V1454-F1456 HydrophobicContact CG1-CE2 4.07Å; V1454-F1456 HydrophobicContact CG1-CZ 3.98Å; F1456-I1469 HydrophobicContact CB-CD1 3.81Å; F1456-I1469 HydrophobicContact CB-CG1 4.2Å; F1456-I1469 HydrophobicContact CG-CD1 4.34Å; F1456-T1471 HydrophobicContact CD2-CG2 4.14Å; F1456-T1471 HydrophobicContact CE2-CG2 4.45Å; F1456-T1471 PolarHBondContact N-OG1 3.02Å; F1456-S1475 WeakPolarHBondContact CZ-O 3.32Å; F1456-I1476 VanDerWaalsContact CD2-C 3.5Å; F1456-I1476 WeakPolarHBondContact CD2-O 3.35Å; F1456-I1476 WeakPolarHBondContact CE2-O 3.38Å; F1456-G1477 VanDerWaalsContact CD2-CA 3.5Å; F1456-G1477 VanDerWaalsContact CD2-N 3.32Å; F1456-V1497 HydrophobicContact CB-CG1 4.45Å; F1456-V1497 HydrophobicContact CD1-CG1 4.34Å; F1456-V1498 CarbonylContact C-O 3.54Å; F1456-V1498 WeakPolarHBondContact CA-O 3.35Å; F1456-V1498 WeakPolarHBondContact CB-O 3.29Å; F1456-A1499 HydrophobicContact CD1-CB 3.86Å; F1456-A1499 VanDerWaalsContact CD1-CB 3.42Å; F1456-A1499 HydrophobicContact CE1-CB 3.75Å; F1456-A1499 VanDerWaalsContact CE1-CB 3.41Å; F1456-A1499 HydrophobicContact CG-CB 4.3Å; F1456-A1499 HydrophobicContact CZ-CB 4.36Å
1457S89.8Confident84.3Confident53 Ų5342.8 Ų42.837%0.37130%0.301SS..EExtended strand (participates in β ladder)trans-153.8156.3176.1570000112.6V1497 V1498S1457-V1497 CarbonylContact O-C 3.51Å; S1457-V1497 WeakPolarHBondContact O-CA 3.25Å; S1457-V1498 PolarHBondContact N-O 3.18Å; S1457-V1498 PolarHBondContact O-N 2.91Å; S1457-V1498 PolarHBondContact OG-O 3.39Å
1458L89.8Confident84.6Confident41.8 Ų41.847.4 Ų47.422%0.21932%0.322CS..EExtended strand (participates in β ladder)trans-95.9128.6173.3-72.3173.1000110.2N1462 F1467 I1469 L1495 K1496 V1497L1458-N1462 HydrophobicContact CB-CB 4.38Å; L1458-N1462 HydrophobicContact CD1-CB 4.25Å; L1458-F1467 HydrophobicContact CD1-CB 4.13Å; L1458-I1469 HydrophobicContact CB-CG2 3.99Å; L1458-I1469 HydrophobicContact CD1-CB 4.07Å; L1458-I1469 HydrophobicContact CD1-CG2 4.06Å; L1458-I1469 HydrophobicContact CD2-CB 4.23Å; L1458-I1469 HydrophobicContact CD2-CD1 4.31Å; L1458-I1469 HydrophobicContact CD2-CG2 4.17Å; L1458-I1469 HydrophobicContact CG-CB 4.04Å; L1458-I1469 HydrophobicContact CG-CG2 3.72Å; L1458-L1495 HydrophobicContact CD1-CD1 4.23Å; L1458-L1495 HydrophobicContact CD1-CD2 4.5Å; L1458-L1495 HydrophobicContact CD2-CB 4.22Å; L1458-L1495 HydrophobicContact CD2-CD1 4.46Å; L1458-K1496 CarbonylContact C-O 3.58Å; L1458-K1496 WeakPolarHBondContact CA-O 3.35Å; L1458-K1496 WeakPolarHBondContact CD2-O 3.31Å; L1458-V1497 HydrophobicContact CD2-CB 4.44Å; L1458-V1497 HydrophobicContact CD2-CG1 4.45Å; L1458-V1497 HydrophobicContact CD2-CG2 3.85Å
1459A85.2Confident85.4Confident64.6 Ų64.646.3 Ų46.353%0.53431%0.309SS..EExtended strand (participates in β ladder)trans-104.3-32.7-174.800000115.2K1496 V1498A1459-K1496 HydrophobicContact CB-CB 4.37Å; A1459-K1496 HydrophobicContact CB-CD 4.34Å; A1459-K1496 HydrophobicContact CB-CG 4.45Å; A1459-K1496 PolarHBondContact N-O 3.16Å; A1459-V1498 HydrophobicContact CB-CB 4.47Å; A1459-V1498 HydrophobicContact CB-CG2 3.57Å; A1459-V1498 VanDerWaalsContact CB-CG2 3.46Å
1460S86Confident85.8Confident66.6 Ų66.647.3 Ų47.347%0.46630%0.3SS..EExtended strand (participates in β ladder)trans-161.2165-178.560.70000112.4N1462 L1495 K1496S1460-N1462 VanDerWaalsContact C-N 3.3Å; S1460-N1462 PolarHBondContact O-N 3.06Å; S1460-L1495 WeakPolarHBondContact O-CA 3.3Å; S1460-K1496 PolarHBondContact O-N 3.15Å; S1460-K1496 VanDerWaalsContact O-N 3.11Å; S1460-K1496 VanDerWaalsContact OG-CB 3.3Å; S1460-K1496 WeakPolarHBondContact OG-CB 3.41Å
1461G83.7Confident86.3Confident35.4 Ų35.445.8 Ų45.837%0.36529%0.288SS..  trans85.6-6.8172.100000116I1463 I1494G1461-I1463 VanDerWaalsContact C-N 3.27Å; G1461-I1463 PolarHBondContact O-N 3Å; G1461-I1463 VanDerWaalsContact O-N 3.11Å; G1461-I1494 CarbonylContact C-O 3.55Å; G1461-I1494 VanDerWaalsContact CA-O 3.24Å; G1461-I1494 WeakPolarHBondContact CA-O 3.18Å
1462N88.5Confident86.5Confident46.4 Ų46.445.5 Ų45.525%0.24829%0.289CS..  trans-7974.9176.1-171.915.6000111.6L1458 S1460 A1464 G1465 A1466 F1467 L1495L1458-N1462 HydrophobicContact CB-CB 4.38Å; L1458-N1462 HydrophobicContact CD1-CB 4.25Å; S1460-N1462 VanDerWaalsContact C-N 3.3Å; S1460-N1462 PolarHBondContact O-N 3.06Å; N1462-A1464 PolarHBondContact O-N 2.91Å; N1462-G1465 PolarHBondContact O-N 2.86Å; N1462-G1465 VanDerWaalsContact O-N 3.08Å; N1462-G1465 WeakPolarHBondContact OD1-CA 3.47Å; N1462-A1466 PolarHBondContact OD1-N 3.01Å; N1462-A1466 VanDerWaalsContact OD1-N 3.07Å; N1462-F1467 PolarHBondContact ND2-O 2.94Å; N1462-F1467 PolarHBondContact OD1-N 3.08Å; N1462-F1467 PolarHBondContact OD1-O 3.01Å; N1462-L1495 HydrophobicContact CB-CD2 3.89Å
1463I83.1Confident86.5Confident101.8 Ų101.850.6 Ų50.652%0.52231%0.313SS..G310 helixtrans-59.9139.8-179.8-61.5173.5000109.7G1461 G1465 A1466 L1490 Y1493G1461-I1463 VanDerWaalsContact C-N 3.27Å; G1461-I1463 PolarHBondContact O-N 3Å; G1461-I1463 VanDerWaalsContact O-N 3.11Å; I1463-G1465 PolarHBondContact O-N 2.99Å; I1463-A1466 WeakPolarHBondContact O-CB 3.21Å; I1463-A1466 PolarHBondContact O-N 2.95Å; I1463-A1466 VanDerWaalsContact O-N 3.11Å; I1463-L1490 HydrophobicContact CB-CD2 3.92Å; I1463-L1490 HydrophobicContact CD1-CD2 4.01Å; I1463-L1490 HydrophobicContact CG1-CD2 4.4Å; I1463-L1490 HydrophobicContact CG2-CD2 3.92Å; I1463-Y1493 HydrophobicContact CB-CD1 4.23Å; I1463-Y1493 HydrophobicContact CB-CE1 4.09Å
1464A81.5Confident86.2Confident74 Ų7450 Ų5061%0.61231%0.311SS*.G310 helixtrans54.8-0.5-174.700000116.8N1462 K1483N1462-A1464 PolarHBondContact O-N 2.91Å; A1464-K1483 WeakPolarHBondContact O-CD 3.42Å; A1464-K1483 VanDerWaalsContact O-CE 3.3Å; A1464-K1483 WeakPolarHBondContact O-CE 3.28Å; A1464-K1483 PolarHBondContact O-NZ 3.08Å
1465G85.4Confident86Confident30.8 Ų30.851.3 Ų51.332%0.31832%0.321SS..G310 helixtrans71.941.2-167.500000112.5N1462 I1463 F1467N1462-G1465 PolarHBondContact O-N 2.86Å; N1462-G1465 VanDerWaalsContact O-N 3.08Å; N1462-G1465 WeakPolarHBondContact OD1-CA 3.47Å; I1463-G1465 PolarHBondContact O-N 2.99Å; G1465-F1467 VanDerWaalsContact C-N 3.29Å; G1465-F1467 PolarHBondContact O-N 3.2Å
1466A87.9Confident85.9Confident2.2 Ų2.250.8 Ų50.82%0.01832%0.316CS..  trans-65.5-23.9178.400000113.9N1462 I1463 V1481 A1482 K1483 L1485 Y1493N1462-A1466 PolarHBondContact OD1-N 3.01Å; N1462-A1466 VanDerWaalsContact OD1-N 3.07Å; I1463-A1466 WeakPolarHBondContact O-CB 3.21Å; I1463-A1466 PolarHBondContact O-N 2.95Å; I1463-A1466 VanDerWaalsContact O-N 3.11Å; A1466-V1481 CarbonylContact O-C 3.55Å; A1466-V1481 WeakPolarHBondContact O-CA 3.49Å; A1466-A1482 PolarHBondContact O-N 2.98Å; A1466-K1483 PolarHBondContact O-N 2.91Å; A1466-L1485 HydrophobicContact CB-CD2 4.22Å; A1466-Y1493 HydrophobicContact CB-CD1 4.4Å; A1466-Y1493 HydrophobicContact CB-CE1 3.62Å; A1466-Y1493 VanDerWaalsContact CB-CE1 3.44Å; A1466-Y1493 HydrophobicContact CB-CE2 4.46Å; A1466-Y1493 VanDerWaalsContact CB-CZ 3.49Å; A1466-Y1493 VanDerWaalsContact CB-OH 3.25Å; A1466-Y1493 WeakPolarHBondContact CB-OH 3.31Å
1467F92.4Very high85.8Confident5.6 Ų5.650.3 Ų50.33%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-125.5154.7-179.4-57.7-85.2000113.6V1438 L1458 N1462 G1465 V1479 F1480 V1481 L1485 Y1493 L1495 V1515 I1517V1438-F1467 HydrophobicContact CG2-CD1 4Å; V1438-F1467 HydrophobicContact CG2-CE1 3.98Å; L1458-F1467 HydrophobicContact CD1-CB 4.13Å; N1462-F1467 PolarHBondContact ND2-O 2.94Å; N1462-F1467 PolarHBondContact OD1-N 3.08Å; N1462-F1467 PolarHBondContact OD1-O 3.01Å; G1465-F1467 VanDerWaalsContact C-N 3.29Å; G1465-F1467 PolarHBondContact O-N 3.2Å; F1467-V1479 HydrophobicContact CB-CG1 4.07Å; F1467-V1479 HydrophobicContact CD1-CG1 4.18Å; F1467-V1479 HydrophobicContact CG-CG1 4.37Å; F1467-F1480 CarbonylContact C-O 3.5Å; F1467-F1480 VanDerWaalsContact CA-O 3.23Å; F1467-F1480 WeakPolarHBondContact CA-O 3.32Å; F1467-V1481 HydrophobicContact CD1-CG2 4.3Å; F1467-V1481 HydrophobicContact CE1-CG2 4.06Å; F1467-L1485 HydrophobicContact CE1-CD1 4.48Å; F1467-L1485 HydrophobicContact CE2-CD2 4.19Å; F1467-L1485 HydrophobicContact CZ-CD1 4.25Å; F1467-L1485 HydrophobicContact CZ-CD2 4.07Å; F1467-Y1493 HydrophobicContact CD2-CD1 4.18Å; F1467-Y1493 HydrophobicContact CD2-CE1 4.47Å; F1467-Y1493 HydrophobicContact CD2-CG 4.3Å; F1467-Y1493 AromaticContact CE2-CD1 3.82Å; F1467-Y1493 HydrophobicContact CE2-CD1 3.82Å; F1467-Y1493 AromaticContact CE2-CD2 3.76Å; F1467-Y1493 HydrophobicContact CE2-CD2 3.76Å; F1467-Y1493 HydrophobicContact CE2-CE1 4.12Å; F1467-Y1493 AromaticContact CE2-CE2 3.85Å; F1467-Y1493 HydrophobicContact CE2-CE2 4.1Å; F1467-Y1493 AromaticContact CE2-CG 3.63Å; F1467-Y1493 HydrophobicContact CE2-CG 3.63Å; F1467-Y1493 HydrophobicContact CZ-CD2 4.2Å; F1467-Y1493 HydrophobicContact CZ-CE2 4.45Å; F1467-Y1493 HydrophobicContact CZ-CG 4.41Å; F1467-L1495 HydrophobicContact CB-CD1 4.1Å; F1467-L1495 HydrophobicContact CD1-CD1 4.42Å; F1467-L1495 HydrophobicContact CD2-CD1 3.85Å; F1467-L1495 HydrophobicContact CD2-CD2 4.11Å; F1467-L1495 HydrophobicContact CD2-CG 4.42Å; F1467-L1495 HydrophobicContact CE2-CD1 4.38Å; F1467-L1495 HydrophobicContact CG-CD1 3.88Å; F1467-V1515 HydrophobicContact CE1-CG1 4.05Å; F1467-V1515 HydrophobicContact CE1-CG2 4.36Å; F1467-V1515 HydrophobicContact CE2-CG1 4.5Å; F1467-V1515 HydrophobicContact CZ-CB 4.27Å; F1467-V1515 HydrophobicContact CZ-CG1 3.82Å; F1467-V1515 HydrophobicContact CZ-CG2 4.33Å; F1467-I1517 HydrophobicContact CZ-CD1 4.36Å
1468E90.9Very high85.8Confident113.4 Ų113.449.6 Ų49.653%0.5330%0.304SS..EExtended strand (participates in β ladder)trans-127.8154.6171.1-178.8168-169.500109.7I1470 V1479 F1480 A1482E1468-I1470 HydrophobicContact CG-CG1 4.35Å; E1468-V1479 CarbonylContact O-C 3.51Å; E1468-V1479 VanDerWaalsContact O-CA 3.27Å; E1468-V1479 WeakPolarHBondContact O-CA 3.31Å; E1468-V1479 WeakPolarHBondContact O-CG1 2.98Å; E1468-F1480 PolarHBondContact N-O 3.09Å; E1468-F1480 PolarHBondContact O-N 3.06Å; E1468-A1482 HydrophobicContact CB-CB 4.06Å
1469I91.9Very high85.9Confident24.4 Ų24.447.6 Ų47.613%0.12529%0.294CS..EExtended strand (participates in β ladder)trans-127.3131.9173.2-166.6172.1000111.5V1441 F1456 L1458 E1478 V1479 V1497V1441-I1469 HydrophobicContact CG2-CD1 4.13Å; F1456-I1469 HydrophobicContact CB-CD1 3.81Å; F1456-I1469 HydrophobicContact CB-CG1 4.2Å; F1456-I1469 HydrophobicContact CG-CD1 4.34Å; L1458-I1469 HydrophobicContact CB-CG2 3.99Å; L1458-I1469 HydrophobicContact CD1-CB 4.07Å; L1458-I1469 HydrophobicContact CD1-CG2 4.06Å; L1458-I1469 HydrophobicContact CD2-CB 4.23Å; L1458-I1469 HydrophobicContact CD2-CD1 4.31Å; L1458-I1469 HydrophobicContact CD2-CG2 4.17Å; L1458-I1469 HydrophobicContact CG-CB 4.04Å; L1458-I1469 HydrophobicContact CG-CG2 3.72Å; I1469-E1478 CarbonylContact C-O 3.52Å; I1469-E1478 VanDerWaalsContact CA-O 3.27Å; I1469-E1478 WeakPolarHBondContact CA-O 3.25Å; I1469-E1478 WeakPolarHBondContact CG1-O 3.3Å; I1469-V1479 HydrophobicContact CB-CG2 4.29Å; I1469-V1479 HydrophobicContact CD1-CG2 3.85Å; I1469-V1479 HydrophobicContact CG1-CG2 3.92Å; I1469-V1497 HydrophobicContact CD1-CG1 3.51Å; I1469-V1497 VanDerWaalsContact CD1-CG1 3.49Å; I1469-V1497 HydrophobicContact CD1-CG2 4.46Å
1470I88.5Confident86.2Confident79.6 Ų79.646.6 Ų46.641%0.40828%0.278SS..EExtended strand (participates in β ladder)trans-117.2140.4179.5-55178.8000109.1E1468 S1472 G1477 E1478 F1480E1468-I1470 HydrophobicContact CG-CG1 4.35Å; I1470-S1472 PolarHBondContact O-N 2.89Å; I1470-G1477 CarbonylContact O-C 3.53Å; I1470-G1477 VanDerWaalsContact O-CA 3.3Å; I1470-G1477 WeakPolarHBondContact O-CA 3.35Å; I1470-E1478 PolarHBondContact N-O 3.19Å; I1470-E1478 PolarHBondContact O-N 3.06Å; I1470-F1480 HydrophobicContact CB-CD2 4.44Å; I1470-F1480 HydrophobicContact CB-CE2 4.09Å; I1470-F1480 HydrophobicContact CD1-CD2 4.07Å; I1470-F1480 HydrophobicContact CD1-CE2 3.84Å; I1470-F1480 HydrophobicContact CD1-CZ 4.38Å; I1470-F1480 HydrophobicContact CG1-CD2 4.15Å; I1470-F1480 HydrophobicContact CG1-CE2 4.02Å
1471T86.6Confident86.4Confident39.4 Ų39.443.5 Ų43.524%0.24226%0.256CS..EExtended strand (participates in β ladder)trans-90.7119.9173.7-61.40000110.3V1454 V1455 F1456 N1473 I1476V1454-T1471 WeakPolarHBondContact O-CG2 3.35Å; V1455-T1471 WeakPolarHBondContact CA-OG1 3.28Å; V1455-T1471 HydrophobicContact CB-CG2 4.25Å; V1455-T1471 HydrophobicContact CG1-CG2 4.25Å; V1455-T1471 WeakPolarHBondContact CG1-OG1 3.41Å; V1455-T1471 HydrophobicContact CG2-CG2 4.32Å; F1456-T1471 HydrophobicContact CD2-CG2 4.14Å; F1456-T1471 HydrophobicContact CE2-CG2 4.45Å; F1456-T1471 PolarHBondContact N-OG1 3.02Å; T1471-N1473 WeakPolarHBondContact CG2-O 3.45Å; T1471-I1476 CarbonylContact C-O 3.54Å; T1471-I1476 WeakPolarHBondContact CA-O 3.21Å
1472S81.9Confident86.6Confident36.6 Ų36.643.6 Ų43.626%0.25625%0.253SS..EExtended strand (participates in β ladder)trans-113135-179.9-540000111.6I1470 D1474 S1475 I1476 E1478I1470-S1472 PolarHBondContact O-N 2.89Å; S1472-D1474 PolarHBondContact O-N 3.06Å; S1472-D1474 VanDerWaalsContact O-N 3.14Å; S1472-S1475 PolarHBondContact O-N 2.72Å; S1472-S1475 VanDerWaalsContact O-N 3.12Å; S1472-I1476 PolarHBondContact N-O 3.02Å; S1472-I1476 WeakPolarHBondContact O-CB 3.33Å; S1472-I1476 PolarHBondContact O-N 3Å; S1472-E1478 WeakPolarHBondContact CB-OE2 3.32Å; S1472-E1478 PolarHBondContact OG-OE2 3.07Å; S1472-E1478 VanDerWaalsContact OG-OE2 3.08Å
1473N77.3Confident86.6Confident125 Ų12546.2 Ų46.267%0.66826%0.262SS*.THydrogen-bonded Turntrans55.842.4174-46.8-10.5000114.1T1471 S1475 I1476T1471-N1473 WeakPolarHBondContact CG2-O 3.45Å; N1473-S1475 PolarHBondContact O-N 3.2Å; N1473-S1475 PolarHBondContact O-OG 2.92Å; N1473-S1475 WeakPolarHBondContact OD1-CA 3.18Å; N1473-S1475 PolarHBondContact OD1-N 2.86Å; N1473-S1475 PolarHBondContact OD1-OG 2.97Å; N1473-I1476 WeakPolarHBondContact ND2-CD1 3.12Å; N1473-I1476 PolarHBondContact O-N 2.87Å; N1473-I1476 VanDerWaalsContact O-N 3.14Å; N1473-I1476 PolarHBondContact OD1-N 3.3Å
1474D75.6Confident86.8Confident47.6 Ų47.646.3 Ų46.326%0.25527%0.27SS..THydrogen-bonded Turntrans31.327.8-178.3-61.3-31.2000114.5Q1453 V1454 S1472 R1502Q1453-D1474 CarbonylContact C-O 3.45Å; Q1453-D1474 WeakPolarHBondContact CA-O 3.35Å; Q1453-D1474 HydrophobicContact CB-CB 3.93Å; Q1453-D1474 VanDerWaalsContact CB-CB 3.47Å; Q1453-D1474 HydrophobicContact CG-CB 4.05Å; Q1453-D1474 PolarHBondContact NE2-OD2 2.77Å; Q1453-D1474 PolarHBondContact OE1-OD2 3.42Å; V1454-D1474 WeakPolarHBondContact CA-O 3.39Å; V1454-D1474 WeakPolarHBondContact CB-O 3.44Å; V1454-D1474 WeakPolarHBondContact CG2-O 3.46Å; V1454-D1474 PolarHBondContact N-O 3.21Å; V1454-D1474 CarbonylContact O-C 3.41Å; V1454-D1474 VanDerWaalsContact O-C 3.22Å; V1454-D1474 VanDerWaalsContact O-CA 3.26Å; V1454-D1474 WeakPolarHBondContact O-CA 3.41Å; S1472-D1474 PolarHBondContact O-N 3.06Å; S1472-D1474 VanDerWaalsContact O-N 3.14Å; D1474-R1502 VanDerWaalsContact CG-CZ 3.43Å; D1474-R1502 IonicContact OD1-CZ 3.31Å; D1474-R1502 IonicContact OD1-NE 3.29Å; D1474-R1502 IonicContact OD1-NH1 3.03Å; D1474-R1502 PolarHBondContact OD1-NH1 2.94Å; D1474-R1502 IonicContact OD1-NH2 3.31Å; D1474-R1502 PolarHBondContact OD1-NH2 3.15Å; D1474-R1502 IonicContact OD2-CZ 2.89Å; D1474-R1502 IonicContact OD2-NE 2.84Å; D1474-R1502 IonicContact OD2-NH1 2.87Å; D1474-R1502 PolarHBondContact OD2-NH1 2.94Å; D1474-R1502 IonicContact OD2-NH2 3.19Å; D1474-R1502 PolarHBondContact OD2-NH2 2.91Å
1475S80.7Confident87.1Confident29.2 Ų29.243.4 Ų43.420%0.20424%0.244CC..THydrogen-bonded Turntrans-155.8-6-178.955.90000114.8K1442 A1443 F1456 S1472 N1473K1442-S1475 CarbonylContact C-O 3.51Å; K1442-S1475 VanDerWaalsContact CA-O 3.26Å; K1442-S1475 WeakPolarHBondContact CA-O 3.34Å; K1442-S1475 WeakPolarHBondContact CG-O 3.37Å; A1443-S1475 PolarHBondContact N-O 3.01Å; A1443-S1475 CarbonylContact O-C 3.54Å; A1443-S1475 VanDerWaalsContact O-CA 3.27Å; A1443-S1475 WeakPolarHBondContact O-CA 3.35Å; A1443-S1475 VanDerWaalsContact O-CB 3.27Å; A1443-S1475 WeakPolarHBondContact O-CB 3.28Å; A1443-S1475 VanDerWaalsContact O-O 3.06Å; F1456-S1475 WeakPolarHBondContact CZ-O 3.32Å; S1472-S1475 PolarHBondContact O-N 2.72Å; S1472-S1475 VanDerWaalsContact O-N 3.12Å; N1473-S1475 PolarHBondContact O-N 3.2Å; N1473-S1475 PolarHBondContact O-OG 2.92Å; N1473-S1475 WeakPolarHBondContact OD1-CA 3.18Å; N1473-S1475 PolarHBondContact OD1-N 2.86Å; N1473-S1475 PolarHBondContact OD1-OG 2.97Å
1476I87.3Confident87.2Confident38.2 Ų38.245.2 Ų45.220%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-128.9132.4-175.5-56.1179.1000109.2T1440 V1441 K1442 F1456 T1471 S1472 N1473 E1478T1440-I1476 HydrophobicContact CG2-CG2 3.57Å; T1440-I1476 VanDerWaalsContact CG2-CG2 3.41Å; V1441-I1476 CarbonylContact O-C 3.28Å; V1441-I1476 WeakPolarHBondContact O-CA 3.19Å; K1442-I1476 HydrophobicContact CD-CD1 4.31Å; K1442-I1476 HydrophobicContact CD-CG1 4.31Å; K1442-I1476 HydrophobicContact CG-CB 4.48Å; K1442-I1476 HydrophobicContact CG-CG1 4.21Å; K1442-I1476 HydrophobicContact CG-CG2 4.26Å; F1456-I1476 VanDerWaalsContact CD2-C 3.5Å; F1456-I1476 WeakPolarHBondContact CD2-O 3.35Å; F1456-I1476 WeakPolarHBondContact CE2-O 3.38Å; T1471-I1476 CarbonylContact C-O 3.54Å; T1471-I1476 WeakPolarHBondContact CA-O 3.21Å; S1472-I1476 PolarHBondContact N-O 3.02Å; S1472-I1476 WeakPolarHBondContact O-CB 3.33Å; S1472-I1476 PolarHBondContact O-N 3Å; N1473-I1476 WeakPolarHBondContact ND2-CD1 3.12Å; N1473-I1476 PolarHBondContact O-N 2.87Å; N1473-I1476 VanDerWaalsContact O-N 3.14Å; N1473-I1476 PolarHBondContact OD1-N 3.3Å; I1476-E1478 HydrophobicContact CB-CG 4.44Å; I1476-E1478 HydrophobicContact CG2-CG 3.98Å
1477G88.6Confident87.3Confident0 Ų046.8 Ų46.80%025%0.251CS..EExtended strand (participates in β ladder)trans-111.9118.3170.900000110.1T1440 V1441 F1456 I1470T1440-G1477 CarbonylContact C-O 3.57Å; T1440-G1477 WeakPolarHBondContact CA-O 3.42Å; V1441-G1477 VanDerWaalsContact CG2-O 3.29Å; V1441-G1477 WeakPolarHBondContact CG2-O 3.3Å; V1441-G1477 PolarHBondContact N-O 3.15Å; V1441-G1477 PolarHBondContact O-N 3Å; F1456-G1477 VanDerWaalsContact CD2-CA 3.5Å; F1456-G1477 VanDerWaalsContact CD2-N 3.32Å; I1470-G1477 CarbonylContact O-C 3.53Å; I1470-G1477 VanDerWaalsContact O-CA 3.3Å; I1470-G1477 WeakPolarHBondContact O-CA 3.35Å
1478E90Very high87Confident39.6 Ų39.649.8 Ų49.819%0.18527%0.266CS..EExtended strand (participates in β ladder)trans-105.4122.4-176.7-66.7-177.6109.400109.6R1437 T1440 I1469 I1470 S1472 I1476 F1480R1437-E1478 VanDerWaalsContact CD-CG 3.47Å; R1437-E1478 VanDerWaalsContact CD-OE1 3.26Å; R1437-E1478 WeakPolarHBondContact CD-OE1 3.34Å; R1437-E1478 HydrophobicContact CG-CB 4.19Å; R1437-E1478 HydrophobicContact CG-CG 4.31Å; R1437-E1478 IonicContact CZ-OE1 2.91Å; R1437-E1478 IonicContact NE-OE1 3.11Å; R1437-E1478 PolarHBondContact NE-OE1 2.89Å; R1437-E1478 IonicContact NH1-OE1 2.76Å; R1437-E1478 PolarHBondContact NH1-OE1 2.85Å; T1440-E1478 HydrophobicContact CG2-CG 4.3Å; I1469-E1478 CarbonylContact C-O 3.52Å; I1469-E1478 VanDerWaalsContact CA-O 3.27Å; I1469-E1478 WeakPolarHBondContact CA-O 3.25Å; I1469-E1478 WeakPolarHBondContact CG1-O 3.3Å; I1470-E1478 PolarHBondContact N-O 3.19Å; I1470-E1478 PolarHBondContact O-N 3.06Å; S1472-E1478 WeakPolarHBondContact CB-OE2 3.32Å; S1472-E1478 PolarHBondContact OG-OE2 3.07Å; S1472-E1478 VanDerWaalsContact OG-OE2 3.08Å; I1476-E1478 HydrophobicContact CB-CG 4.44Å; I1476-E1478 HydrophobicContact CG2-CG 3.98Å; E1478-F1480 HydrophobicContact CB-CD2 4.41Å; E1478-F1480 HydrophobicContact CB-CE2 3.51Å; E1478-F1480 VanDerWaalsContact CB-CE2 3.48Å; E1478-F1480 HydrophobicContact CB-CZ 3.93Å; E1478-F1480 VanDerWaalsContact O-CD2 3.26Å; E1478-F1480 WeakPolarHBondContact O-CD2 3.4Å; E1478-F1480 VanDerWaalsContact O-CE2 3.25Å; E1478-F1480 WeakPolarHBondContact O-CE2 3.36Å
1479V90.8Very high86.7Confident0.2 Ų0.252.3 Ų52.30%0.00128%0.277CS..EExtended strand (participates in β ladder)trans-96.7129.8-179.2-177.40000109.5R1437 V1438 A1439 F1467 E1468 I1469 L1495 L1513R1437-V1479 CarbonylContact C-O 3.36Å; R1437-V1479 VanDerWaalsContact CA-O 3.27Å; R1437-V1479 WeakPolarHBondContact CA-O 3.38Å; R1437-V1479 WeakPolarHBondContact CG-O 3.26Å; V1438-V1479 HydrophobicContact CG2-CB 4.39Å; V1438-V1479 HydrophobicContact CG2-CG1 4.14Å; V1438-V1479 WeakPolarHBondContact CG2-O 3.27Å; V1438-V1479 PolarHBondContact N-O 2.98Å; A1439-V1479 HydrophobicContact CB-CB 3.99Å; A1439-V1479 HydrophobicContact CB-CG1 4.49Å; A1439-V1479 HydrophobicContact CB-CG2 4.22Å; A1439-V1479 PolarHBondContact N-O 3.03Å; A1439-V1479 PolarHBondContact O-N 2.89Å; F1467-V1479 HydrophobicContact CB-CG1 4.07Å; F1467-V1479 HydrophobicContact CD1-CG1 4.18Å; F1467-V1479 HydrophobicContact CG-CG1 4.37Å; E1468-V1479 CarbonylContact O-C 3.51Å; E1468-V1479 VanDerWaalsContact O-CA 3.27Å; E1468-V1479 WeakPolarHBondContact O-CA 3.31Å; E1468-V1479 WeakPolarHBondContact O-CG1 2.98Å; I1469-V1479 HydrophobicContact CB-CG2 4.29Å; I1469-V1479 HydrophobicContact CD1-CG2 3.85Å; I1469-V1479 HydrophobicContact CG1-CG2 3.92Å; V1479-L1495 HydrophobicContact CG1-CD1 4.32Å; V1479-L1513 HydrophobicContact CB-CD2 4.42Å; V1479-L1513 HydrophobicContact CG1-CD2 4.42Å; V1479-L1513 HydrophobicContact CG2-CD2 4.02Å
1480F91.3Very high86.3Confident42.8 Ų42.853.5 Ų53.519%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-120.9151-176.5-63-96.9000111.6G1435 Q1436 R1437 F1467 E1468 I1470 E1478 A1482G1435-F1480 VanDerWaalsContact O-CD1 3.28Å; G1435-F1480 WeakPolarHBondContact O-CD1 3.38Å; Q1436-F1480 CarbonylContact O-C 3.51Å; Q1436-F1480 VanDerWaalsContact O-CA 3.25Å; Q1436-F1480 WeakPolarHBondContact O-CA 3.34Å; R1437-F1480 VanDerWaalsContact CA-CD1 3.49Å; R1437-F1480 HydrophobicContact CB-CD1 3.78Å; R1437-F1480 HydrophobicContact CB-CE1 3.56Å; R1437-F1480 VanDerWaalsContact CB-CE1 3.44Å; R1437-F1480 HydrophobicContact CB-CG 4.47Å; R1437-F1480 HydrophobicContact CB-CZ 4.12Å; R1437-F1480 HydrophobicContact CG-CD1 4.27Å; R1437-F1480 HydrophobicContact CG-CE1 4.02Å; R1437-F1480 HydrophobicContact CG-CE2 4.43Å; R1437-F1480 HydrophobicContact CG-CZ 4.1Å; F1467-F1480 CarbonylContact C-O 3.5Å; F1467-F1480 VanDerWaalsContact CA-O 3.23Å; F1467-F1480 WeakPolarHBondContact CA-O 3.32Å; E1468-F1480 PolarHBondContact N-O 3.09Å; E1468-F1480 PolarHBondContact O-N 3.06Å; I1470-F1480 HydrophobicContact CB-CD2 4.44Å; I1470-F1480 HydrophobicContact CB-CE2 4.09Å; I1470-F1480 HydrophobicContact CD1-CD2 4.07Å; I1470-F1480 HydrophobicContact CD1-CE2 3.84Å; I1470-F1480 HydrophobicContact CD1-CZ 4.38Å; I1470-F1480 HydrophobicContact CG1-CD2 4.15Å; I1470-F1480 HydrophobicContact CG1-CE2 4.02Å; E1478-F1480 HydrophobicContact CB-CD2 4.41Å; E1478-F1480 HydrophobicContact CB-CE2 3.51Å; E1478-F1480 VanDerWaalsContact CB-CE2 3.48Å; E1478-F1480 HydrophobicContact CB-CZ 3.93Å; E1478-F1480 VanDerWaalsContact O-CD2 3.26Å; E1478-F1480 WeakPolarHBondContact O-CD2 3.4Å; E1478-F1480 VanDerWaalsContact O-CE2 3.25Å; E1478-F1480 WeakPolarHBondContact O-CE2 3.36Å; F1480-A1482 PolarHBondContact O-N 3.34Å
1481V90.5Very high86.2Confident1.4 Ų1.453.8 Ų53.81%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-72.6121.6167.3177.10000109V1428 C1432 V1434 G1435 Q1436 V1438 A1466 F1467 K1483 L1485V1428-V1481 HydrophobicContact CG1-CG2 4.36Å; C1432-V1481 HydrophobicContact CB-CG2 4.49Å; V1434-V1481 HydrophobicContact CG2-CG1 4.49Å; G1435-V1481 WeakPolarHBondContact CA-O 3.34Å; G1435-V1481 PolarHBondContact N-O 2.82Å; Q1436-V1481 PolarHBondContact O-N 2.87Å; V1438-V1481 HydrophobicContact CB-CG2 4.43Å; V1438-V1481 HydrophobicContact CG1-CG2 3.57Å; V1438-V1481 VanDerWaalsContact CG1-CG2 3.48Å; V1438-V1481 HydrophobicContact CG2-CG2 4.18Å; A1466-V1481 CarbonylContact O-C 3.55Å; A1466-V1481 WeakPolarHBondContact O-CA 3.49Å; F1467-V1481 HydrophobicContact CD1-CG2 4.3Å; F1467-V1481 HydrophobicContact CE1-CG2 4.06Å; V1481-K1483 WeakPolarHBondContact CG1-O 3.41Å; V1481-L1485 HydrophobicContact CG1-CD1 4.18Å; V1481-L1485 HydrophobicContact CG1-CG 4.2Å; V1481-L1485 HydrophobicContact CG2-CD1 4.03Å
1482A88.5Confident86.3Confident36.6 Ų36.656.1 Ų56.130%0.30229%0.294SS..  trans-104.8-14.2-176.500000113.5V1434 A1466 E1468 F1480V1434-A1482 WeakPolarHBondContact CG1-O 3.31Å; A1466-A1482 PolarHBondContact O-N 2.98Å; E1468-A1482 HydrophobicContact CB-CB 4.06Å; F1480-A1482 PolarHBondContact O-N 3.34Å
1483K87.8Confident86.6Confident101 Ų10155.3 Ų55.344%0.43929%0.286SS..SBendtrans-143.6157.6174.8-69.2-175174.6-179.50110.4V1434 A1464 A1466 V1481 L1485V1434-K1483 VanDerWaalsContact CG2-C 3.48Å; A1464-K1483 WeakPolarHBondContact O-CD 3.42Å; A1464-K1483 VanDerWaalsContact O-CE 3.3Å; A1464-K1483 WeakPolarHBondContact O-CE 3.28Å; A1464-K1483 PolarHBondContact O-NZ 3.08Å; A1466-K1483 PolarHBondContact O-N 2.91Å; V1481-K1483 WeakPolarHBondContact CG1-O 3.41Å; K1483-L1485 PolarHBondContact O-N 2.82Å
1484P87.2Confident87.2Confident104.8 Ų104.853.4 Ų53.468%0.68128%0.275SS*.  trans-53.3145.3171.7-22.734.2000110.7V1434V1434-P1484 HydrophobicContact CG2-CB 4.26Å; V1434-P1484 HydrophobicContact CG2-CG 4.01Å
1485L88.9Confident87.9Confident13.2 Ų13.251.2 Ų51.27%0.06926%0.263CS..  trans-103.4150174.1-59.8168.8000107.2V1428 E1430 C1432 A1466 F1467 V1481 K1483 Y1493 I1517V1428-L1485 HydrophobicContact CB-CD1 4.44Å; V1428-L1485 HydrophobicContact CG1-CD1 3.8Å; E1430-L1485 CarbonylContact C-O 3.58Å; E1430-L1485 HydrophobicContact CB-CB 4.39Å; E1430-L1485 VanDerWaalsContact O-O 3.11Å; C1432-L1485 HydrophobicContact CB-CD1 4.39Å; A1466-L1485 HydrophobicContact CB-CD2 4.22Å; F1467-L1485 HydrophobicContact CE1-CD1 4.48Å; F1467-L1485 HydrophobicContact CE2-CD2 4.19Å; F1467-L1485 HydrophobicContact CZ-CD1 4.25Å; F1467-L1485 HydrophobicContact CZ-CD2 4.07Å; V1481-L1485 HydrophobicContact CG1-CD1 4.18Å; V1481-L1485 HydrophobicContact CG1-CG 4.2Å; V1481-L1485 HydrophobicContact CG2-CD1 4.03Å; K1483-L1485 PolarHBondContact O-N 2.82Å; L1485-Y1493 HydrophobicContact CD2-CE2 4.1Å; L1485-I1517 HydrophobicContact CB-CD1 4.42Å; L1485-I1517 HydrophobicContact CB-CG2 4.16Å; L1485-I1517 HydrophobicContact CD1-CD1 3.96Å; L1485-I1517 HydrophobicContact CD2-CD1 4.28Å; L1485-I1517 HydrophobicContact CD2-CG1 4.47Å; L1485-I1517 HydrophobicContact CG-CD1 4.45Å
1486D87.6Confident88.4Confident68.8 Ų68.853.2 Ų53.237%0.36827%0.268SS..  trans-149.7115.5-176.7175.7-35.4000104.7E1488 E1489 L1490D1486-E1488 VanDerWaalsContact OD1-CA 3.31Å; D1486-E1488 WeakPolarHBondContact OD1-CA 3.41Å; D1486-E1488 WeakPolarHBondContact OD1-CB 3.43Å; D1486-E1488 PolarHBondContact OD1-N 3.17Å; D1486-E1488 VanDerWaalsContact OD1-N 3.15Å; D1486-E1489 HydrophobicContact CB-CB 4.19Å; D1486-E1489 CarbonylContact O-C 3.45Å; D1486-E1489 WeakPolarHBondContact O-CB 3.43Å; D1486-E1489 PolarHBondContact O-N 2.87Å; D1486-E1489 WeakPolarHBondContact OD1-CB 3.45Å; D1486-E1489 PolarHBondContact OD1-N 3.29Å; D1486-E1489 VanDerWaalsContact OD1-N 3.09Å; D1486-L1490 PolarHBondContact O-N 3.19Å; D1486-L1490 VanDerWaalsContact O-N 3.1Å
1487R88.7Confident88.6Confident34.8 Ų34.851.4 Ų51.413%0.13126%0.259CS..THydrogen-bonded Turntrans-79.8-31-174.3-170.5-153.673.150.3-7.8110.7E1430 E1489 L1490 D1491 I1517 D1519 R1555 I1557E1430-R1487 HydrophobicContact CB-CB 4.27Å; E1430-R1487 VanDerWaalsContact CD-CB 3.43Å; E1430-R1487 HydrophobicContact CG-CB 4.4Å; E1430-R1487 VanDerWaalsContact OE1-CB 3.3Å; E1430-R1487 WeakPolarHBondContact OE1-CB 3.29Å; E1430-R1487 IonicContact OE1-CZ 3.71Å; E1430-R1487 IonicContact OE1-NE 3.79Å; E1430-R1487 IonicContact OE1-NH2 2.91Å; E1430-R1487 WeakPolarHBondContact OE2-CB 3.3Å; E1430-R1487 PolarHBondContact OE2-N 2.84Å; R1487-E1489 VanDerWaalsContact C-N 3.31Å; R1487-E1489 PolarHBondContact O-N 3.1Å; R1487-L1490 CarbonylContact O-C 3.56Å; R1487-L1490 VanDerWaalsContact O-C 3.3Å; R1487-L1490 PolarHBondContact O-N 3.18Å; R1487-D1491 HydrophobicContact CG-CB 4.15Å; R1487-D1491 PolarHBondContact O-N 3.34Å; R1487-I1517 HydrophobicContact CB-CB 4.31Å; R1487-I1517 HydrophobicContact CB-CG2 3.9Å; R1487-I1517 HydrophobicContact CG-CB 4.15Å; R1487-I1517 HydrophobicContact CG-CG2 4.12Å; R1487-D1519 VanDerWaalsContact CD-CA 3.49Å; R1487-D1519 WeakPolarHBondContact CD-OD1 3.35Å; R1487-D1519 IonicContact CZ-OD1 3.56Å; R1487-D1519 VanDerWaalsContact CZ-OD1 3.29Å; R1487-D1519 VanDerWaalsContact NE-CA 3.34Å; R1487-D1519 VanDerWaalsContact NE-CG 3.31Å; R1487-D1519 IonicContact NE-OD1 3.37Å; R1487-D1519 PolarHBondContact NE-OD1 2.89Å; R1487-D1519 IonicContact NH1-OD1 3.96Å; R1487-D1519 PolarHBondContact NH1-OD1 2.55Å; R1487-D1519 IonicContact NH2-OD1 3.03Å; R1487-D1519 PolarHBondContact NH2-OD1 3.12Å; R1487-D1519 VanDerWaalsContact NH2-OD1 3.08Å; R1487-R1555 PolarHBondContact NH2-O 3.11Å; R1487-I1557 VanDerWaalsContact NH1-CG1 3.31Å
1488E86.6Confident88.6Confident68.4 Ų68.452.3 Ų52.332%0.3226%0.264SS..THydrogen-bonded Turntrans-63.6-29.3173.9-76.244-11700110.7D1486 R1555 D1556 I1557D1486-E1488 VanDerWaalsContact OD1-CA 3.31Å; D1486-E1488 WeakPolarHBondContact OD1-CA 3.41Å; D1486-E1488 WeakPolarHBondContact OD1-CB 3.43Å; D1486-E1488 PolarHBondContact OD1-N 3.17Å; D1486-E1488 VanDerWaalsContact OD1-N 3.15Å; E1488-R1555 HydrophobicContact CG-CB 3.99Å; E1488-D1556 WeakPolarHBondContact OE1-CB 3.13Å; E1488-I1557 HydrophobicContact CB-CG2 4.06Å; E1488-I1557 HydrophobicContact CG-CG2 3.52Å; E1488-I1557 WeakPolarHBondContact OE1-CG2 3.48Å; E1488-I1557 PolarHBondContact OE1-N 3.11Å
1489E83.8Confident88.6Confident165.8 Ų165.850.5 Ų50.578%0.77526%0.256SS*.THydrogen-bonded Turntrans-83.8-48169.5-108.1-168.317700113.8D1486 R1487D1486-E1489 HydrophobicContact CB-CB 4.19Å; D1486-E1489 CarbonylContact O-C 3.45Å; D1486-E1489 WeakPolarHBondContact O-CB 3.43Å; D1486-E1489 PolarHBondContact O-N 2.87Å; D1486-E1489 WeakPolarHBondContact OD1-CB 3.45Å; D1486-E1489 PolarHBondContact OD1-N 3.29Å; D1486-E1489 VanDerWaalsContact OD1-N 3.09Å; R1487-E1489 VanDerWaalsContact C-N 3.31Å; R1487-E1489 PolarHBondContact O-N 3.1Å
1490L84.7Confident88.4Confident51.4 Ų51.451.3 Ų51.327%0.26926%0.261SS..  trans-156.4119.5-178.2-172.564.2000115.2I1463 D1486 R1487 H1492 Y1493 I1517I1463-L1490 HydrophobicContact CB-CD2 3.92Å; I1463-L1490 HydrophobicContact CD1-CD2 4.01Å; I1463-L1490 HydrophobicContact CG1-CD2 4.4Å; I1463-L1490 HydrophobicContact CG2-CD2 3.92Å; D1486-L1490 PolarHBondContact O-N 3.19Å; D1486-L1490 VanDerWaalsContact O-N 3.1Å; R1487-L1490 CarbonylContact O-C 3.56Å; R1487-L1490 VanDerWaalsContact O-C 3.3Å; R1487-L1490 PolarHBondContact O-N 3.18Å; L1490-H1492 PolarHBondContact O-N 3.13Å; L1490-Y1493 HydrophobicContact CD2-CD1 4.17Å; L1490-Y1493 HydrophobicContact CD2-CD2 4.39Å; L1490-Y1493 HydrophobicContact CD2-CE1 3.92Å; L1490-Y1493 HydrophobicContact CD2-CE2 4.23Å; L1490-Y1493 HydrophobicContact CD2-CG 4.41Å; L1490-Y1493 WeakPolarHBondContact CD2-OH 3.44Å; L1490-Y1493 HydrophobicContact CG-CE2 4.29Å; L1490-I1517 WeakPolarHBondContact O-CG1 3.4Å
1491D85.7Confident88.1Confident84.2 Ų84.249.8 Ų49.845%0.4526%0.255SS..SBendtrans-85.5-17.8-171.769.5-17.1000116.9R1487 T1516 I1517R1487-D1491 HydrophobicContact CG-CB 4.15Å; R1487-D1491 PolarHBondContact O-N 3.34Å; D1491-T1516 WeakPolarHBondContact O-CA 3.25Å; D1491-I1517 WeakPolarHBondContact O-CA 3.3Å; D1491-I1517 VanDerWaalsContact O-CB 3.24Å; D1491-I1517 WeakPolarHBondContact O-CB 3.15Å; D1491-I1517 WeakPolarHBondContact O-CG1 3.34Å; D1491-I1517 PolarHBondContact O-N 3.07Å
1492H88.6Confident87.7Confident88.6 Ų88.655.4 Ų55.441%0.4128%0.276SS..EExtended strand (participates in β ladder)trans-156.5156.3179.771.9-73.2000115.7L1490 V1515 T1516L1490-H1492 PolarHBondContact O-N 3.13Å; H1492-V1515 CarbonylContact C-O 3.5Å; H1492-V1515 VanDerWaalsContact CA-O 3.26Å; H1492-V1515 WeakPolarHBondContact CA-O 3.35Å; H1492-V1515 WeakPolarHBondContact CB-O 3.21Å; H1492-T1516 HydrophobicContact CB-CG2 4.47Å
1493Y89.3Confident87.2Confident20.2 Ų20.254 Ų548%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-132.2144.6176.9-60.7-105.9000111.5I1463 A1466 F1467 L1485 L1490 L1495 Q1514 V1515 I1517I1463-Y1493 HydrophobicContact CB-CD1 4.23Å; I1463-Y1493 HydrophobicContact CB-CE1 4.09Å; A1466-Y1493 HydrophobicContact CB-CD1 4.4Å; A1466-Y1493 HydrophobicContact CB-CE1 3.62Å; A1466-Y1493 VanDerWaalsContact CB-CE1 3.44Å; A1466-Y1493 HydrophobicContact CB-CE2 4.46Å; A1466-Y1493 VanDerWaalsContact CB-CZ 3.49Å; A1466-Y1493 VanDerWaalsContact CB-OH 3.25Å; A1466-Y1493 WeakPolarHBondContact CB-OH 3.31Å; F1467-Y1493 HydrophobicContact CD2-CD1 4.18Å; F1467-Y1493 HydrophobicContact CD2-CE1 4.47Å; F1467-Y1493 HydrophobicContact CD2-CG 4.3Å; F1467-Y1493 AromaticContact CE2-CD1 3.82Å; F1467-Y1493 HydrophobicContact CE2-CD1 3.82Å; F1467-Y1493 AromaticContact CE2-CD2 3.76Å; F1467-Y1493 HydrophobicContact CE2-CD2 3.76Å; F1467-Y1493 HydrophobicContact CE2-CE1 4.12Å; F1467-Y1493 AromaticContact CE2-CE2 3.85Å; F1467-Y1493 HydrophobicContact CE2-CE2 4.1Å; F1467-Y1493 AromaticContact CE2-CG 3.63Å; F1467-Y1493 HydrophobicContact CE2-CG 3.63Å; F1467-Y1493 HydrophobicContact CZ-CD2 4.2Å; F1467-Y1493 HydrophobicContact CZ-CE2 4.45Å; F1467-Y1493 HydrophobicContact CZ-CG 4.41Å; L1485-Y1493 HydrophobicContact CD2-CE2 4.1Å; L1490-Y1493 HydrophobicContact CD2-CD1 4.17Å; L1490-Y1493 HydrophobicContact CD2-CD2 4.39Å; L1490-Y1493 HydrophobicContact CD2-CE1 3.92Å; L1490-Y1493 HydrophobicContact CD2-CE2 4.23Å; L1490-Y1493 HydrophobicContact CD2-CG 4.41Å; L1490-Y1493 WeakPolarHBondContact CD2-OH 3.44Å; L1490-Y1493 HydrophobicContact CG-CE2 4.29Å; Y1493-L1495 PolarHBondContact O-N 3.47Å; Y1493-Q1514 CarbonylContact O-C 3.45Å; Y1493-Q1514 WeakPolarHBondContact O-CA 3.21Å; Y1493-V1515 PolarHBondContact N-O 2.99Å; Y1493-V1515 PolarHBondContact O-N 2.94Å; Y1493-I1517 HydrophobicContact CD2-CD1 4.12Å; Y1493-I1517 HydrophobicContact CD2-CG1 4.1Å; Y1493-I1517 HydrophobicContact CE2-CD1 4Å; Y1493-I1517 HydrophobicContact CE2-CG1 4.05Å
1494I90Very high86.4Confident85.6 Ų85.655.6 Ų55.644%0.43928%0.284SS..EExtended strand (participates in β ladder)trans-121.399.7174.6-54.7-179.9000109G1461 K1496 I1512 L1513 Q1514G1461-I1494 CarbonylContact C-O 3.55Å; G1461-I1494 VanDerWaalsContact CA-O 3.24Å; G1461-I1494 WeakPolarHBondContact CA-O 3.18Å; I1494-K1496 PolarHBondContact O-N 3.22Å; I1494-I1512 HydrophobicContact CG2-CG2 3.92Å; I1494-L1513 CarbonylContact C-O 3.56Å; I1494-Q1514 HydrophobicContact CG1-CG 4.34Å; I1494-Q1514 HydrophobicContact CG2-CG 4.34Å
1495L89.8Confident85.6Confident1.2 Ų1.255.7 Ų55.71%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-94.5136.7-173-55.5-179.7000111.5L1458 S1460 N1462 F1467 V1479 Y1493 V1497 I1512 L1513 V1515L1458-L1495 HydrophobicContact CD1-CD1 4.23Å; L1458-L1495 HydrophobicContact CD1-CD2 4.5Å; L1458-L1495 HydrophobicContact CD2-CB 4.22Å; L1458-L1495 HydrophobicContact CD2-CD1 4.46Å; S1460-L1495 WeakPolarHBondContact O-CA 3.3Å; N1462-L1495 HydrophobicContact CB-CD2 3.89Å; F1467-L1495 HydrophobicContact CB-CD1 4.1Å; F1467-L1495 HydrophobicContact CD1-CD1 4.42Å; F1467-L1495 HydrophobicContact CD2-CD1 3.85Å; F1467-L1495 HydrophobicContact CD2-CD2 4.11Å; F1467-L1495 HydrophobicContact CD2-CG 4.42Å; F1467-L1495 HydrophobicContact CE2-CD1 4.38Å; F1467-L1495 HydrophobicContact CG-CD1 3.88Å; V1479-L1495 HydrophobicContact CG1-CD1 4.32Å; Y1493-L1495 PolarHBondContact O-N 3.47Å; L1495-V1497 PolarHBondContact O-N 2.81Å; L1495-I1512 WeakPolarHBondContact O-CA 3.22Å; L1495-L1513 WeakPolarHBondContact CA-O 3.42Å; L1495-L1513 HydrophobicContact CB-CB 4.3Å; L1495-L1513 HydrophobicContact CB-CG 4.47Å; L1495-L1513 WeakPolarHBondContact CB-O 3.25Å; L1495-L1513 HydrophobicContact CD1-CD2 4.17Å; L1495-L1513 PolarHBondContact N-O 2.99Å; L1495-L1513 PolarHBondContact O-N 2.92Å; L1495-V1515 HydrophobicContact CD1-CG2 3.9Å; L1495-V1515 HydrophobicContact CG-CG2 4.24Å
1496K90.7Very high85.4Confident71.4 Ų71.458.3 Ų58.331%0.3130%0.302SS..EExtended strand (participates in β ladder)trans-105.5114.6172.8-169.3-174.5-173.3-170.30110.8L1458 A1459 S1460 I1494 V1498 D1510 H1511 I1512L1458-K1496 CarbonylContact C-O 3.58Å; L1458-K1496 WeakPolarHBondContact CA-O 3.35Å; L1458-K1496 WeakPolarHBondContact CD2-O 3.31Å; A1459-K1496 HydrophobicContact CB-CB 4.37Å; A1459-K1496 HydrophobicContact CB-CD 4.34Å; A1459-K1496 HydrophobicContact CB-CG 4.45Å; A1459-K1496 PolarHBondContact N-O 3.16Å; S1460-K1496 PolarHBondContact O-N 3.15Å; S1460-K1496 VanDerWaalsContact O-N 3.11Å; S1460-K1496 VanDerWaalsContact OG-CB 3.3Å; S1460-K1496 WeakPolarHBondContact OG-CB 3.41Å; I1494-K1496 PolarHBondContact O-N 3.22Å; K1496-V1498 HydrophobicContact CG-CG2 4.44Å; K1496-D1510 HydrophobicContact CD-CB 4.13Å; K1496-D1510 WeakPolarHBondContact CE-OD1 3.5Å; K1496-D1510 VanDerWaalsContact CE-OD2 3.27Å; K1496-D1510 WeakPolarHBondContact CE-OD2 3.32Å; K1496-D1510 HydrophobicContact CG-CB 3.97Å; K1496-D1510 VanDerWaalsContact NZ-CG 3.25Å; K1496-D1510 IonicContact NZ-OD1 2.82Å; K1496-D1510 IonicContact NZ-OD2 3.23Å; K1496-D1510 PolarHBondContact NZ-OD2 3.15Å; K1496-H1511 VanDerWaalsContact CG-O 3.27Å; K1496-H1511 WeakPolarHBondContact CG-O 3.31Å; K1496-I1512 HydrophobicContact CG-CG1 4.47Å
1497V90.8Very high85.2Confident0 Ų060.8 Ų60.80%031%0.307CS..EExtended strand (participates in β ladder)trans-102.4140-177.7-169.90000110.6F1418 V1441 F1456 S1457 L1458 I1469 L1495 D1510 H1511 L1513F1418-V1497 HydrophobicContact CE1-CG1 4.16Å; F1418-V1497 HydrophobicContact CZ-CB 4.5Å; F1418-V1497 HydrophobicContact CZ-CG1 4.34Å; V1441-V1497 HydrophobicContact CG1-CG1 4.32Å; V1441-V1497 HydrophobicContact CG1-CG2 4.41Å; V1441-V1497 HydrophobicContact CG2-CG1 3.92Å; F1456-V1497 HydrophobicContact CB-CG1 4.45Å; F1456-V1497 HydrophobicContact CD1-CG1 4.34Å; S1457-V1497 CarbonylContact O-C 3.51Å; S1457-V1497 WeakPolarHBondContact O-CA 3.25Å; L1458-V1497 HydrophobicContact CD2-CB 4.44Å; L1458-V1497 HydrophobicContact CD2-CG1 4.45Å; L1458-V1497 HydrophobicContact CD2-CG2 3.85Å; I1469-V1497 HydrophobicContact CD1-CG1 3.51Å; I1469-V1497 VanDerWaalsContact CD1-CG1 3.49Å; I1469-V1497 HydrophobicContact CD1-CG2 4.46Å; L1495-V1497 PolarHBondContact O-N 2.81Å; V1497-D1510 CarbonylContact O-C 3.48Å; V1497-D1510 WeakPolarHBondContact O-CA 3.13Å; V1497-H1511 HydrophobicContact CB-CB 4.36Å; V1497-H1511 PolarHBondContact N-O 3.01Å; V1497-H1511 PolarHBondContact O-N 3.19Å; V1497-H1511 VanDerWaalsContact O-O 3.08Å; V1497-L1513 HydrophobicContact CG2-CB 4.09Å; V1497-L1513 HydrophobicContact CG2-CD2 4.4Å
1498V89.5Confident85.1Confident18.4 Ų18.465.6 Ų65.611%0.11233%0.329CS..EExtended strand (participates in β ladder)trans-127.4129.8-178.5-176.80000110F1456 S1457 A1459 K1496 K1508 K1509 D1510F1456-V1498 CarbonylContact C-O 3.54Å; F1456-V1498 WeakPolarHBondContact CA-O 3.35Å; F1456-V1498 WeakPolarHBondContact CB-O 3.29Å; S1457-V1498 PolarHBondContact N-O 3.18Å; S1457-V1498 PolarHBondContact O-N 2.91Å; S1457-V1498 PolarHBondContact OG-O 3.39Å; A1459-V1498 HydrophobicContact CB-CB 4.47Å; A1459-V1498 HydrophobicContact CB-CG2 3.57Å; A1459-V1498 VanDerWaalsContact CB-CG2 3.46Å; K1496-V1498 HydrophobicContact CG-CG2 4.44Å; V1498-K1508 HydrophobicContact CG1-CB 3.95Å; V1498-K1508 HydrophobicContact CG1-CD 4.06Å; V1498-K1508 HydrophobicContact CG1-CG 4.39Å; V1498-K1509 CarbonylContact C-O 3.52Å; V1498-K1509 VanDerWaalsContact CA-O 3.29Å; V1498-K1509 WeakPolarHBondContact CA-O 3.35Å; V1498-K1509 WeakPolarHBondContact CG1-O 3.19Å; V1498-D1510 VanDerWaalsContact CG2-OD1 3.26Å; V1498-D1510 WeakPolarHBondContact CG2-OD1 3.42Å
1499A89Confident85.2Confident1.6 Ų1.668.3 Ų68.31%0.01334%0.339CS..EExtended strand (participates in β ladder)trans-104.2137.6172.200000111P1416 F1418 A1443 V1454 V1455 F1456 K1508 K1509P1416-A1499 HydrophobicContact CB-CB 3.8Å; P1416-A1499 HydrophobicContact CG-CB 4.44Å; F1418-A1499 HydrophobicContact CD1-CB 4.35Å; F1418-A1499 HydrophobicContact CD2-CB 4.34Å; F1418-A1499 HydrophobicContact CE1-CB 4.12Å; F1418-A1499 HydrophobicContact CE2-CB 3.62Å; F1418-A1499 HydrophobicContact CZ-CB 3.46Å; F1418-A1499 VanDerWaalsContact CZ-CB 3.4Å; A1443-A1499 HydrophobicContact CB-CB 4.07Å; V1454-A1499 HydrophobicContact CG1-CB 3.79Å; V1455-A1499 CarbonylContact O-C 3.45Å; V1455-A1499 VanDerWaalsContact O-CA 3.26Å; V1455-A1499 WeakPolarHBondContact O-CA 3.35Å; F1456-A1499 HydrophobicContact CD1-CB 3.86Å; F1456-A1499 VanDerWaalsContact CD1-CB 3.42Å; F1456-A1499 HydrophobicContact CE1-CB 3.75Å; F1456-A1499 VanDerWaalsContact CE1-CB 3.41Å; F1456-A1499 HydrophobicContact CG-CB 4.3Å; F1456-A1499 HydrophobicContact CZ-CB 4.36Å; A1499-K1508 CarbonylContact O-C 3.53Å; A1499-K1508 VanDerWaalsContact O-CA 3.29Å; A1499-K1508 WeakPolarHBondContact O-CA 3.17Å; A1499-K1508 VanDerWaalsContact O-CB 3.3Å; A1499-K1508 WeakPolarHBondContact O-CB 3.26Å; A1499-K1509 PolarHBondContact N-O 3.06Å; A1499-K1509 PolarHBondContact O-N 2.99Å
1500S86.5Confident85.5Confident16.6 Ų16.664.3 Ų64.312%0.11632%0.323CS..EExtended strand (participates in β ladder)trans-136.8133.6-178.3-176.70000110.9V1454 V1455 R1507 K1508V1454-S1500 CarbonylContact C-O 3.52Å; V1454-S1500 VanDerWaalsContact CA-O 3.3Å; V1454-S1500 WeakPolarHBondContact CA-O 3.36Å; V1454-S1500 VanDerWaalsContact CG1-C 3.48Å; V1454-S1500 VanDerWaalsContact CG1-O 3.22Å; V1454-S1500 WeakPolarHBondContact CG1-O 3.15Å; V1455-S1500 PolarHBondContact N-O 2.95Å; V1455-S1500 PolarHBondContact O-N 3.15Å; S1500-R1507 CarbonylContact C-O 3.56Å; S1500-R1507 VanDerWaalsContact CA-O 3.29Å; S1500-R1507 WeakPolarHBondContact CA-O 3.35Å; S1500-K1508 VanDerWaalsContact OG-CE 3.31Å; S1500-K1508 WeakPolarHBondContact OG-CE 3.28Å; S1500-K1508 WeakPolarHBondContact OG-CG 3.42Å; S1500-K1508 PolarHBondContact OG-NZ 3.02Å
1501D86.7Confident85.6Confident11.8 Ų11.863.5 Ų63.56%0.06332%0.318CS..EExtended strand (participates in β ladder)trans-73.6176.4169.566.154.4000112.5N1412 P1416 N1451 Q1453 V1454 G1503 P1506 R1507N1412-D1501 PolarHBondContact ND2-OD1 3.11Å; N1412-D1501 PolarHBondContact ND2-OD2 3.21Å; N1412-D1501 PolarHBondContact OD1-OD1 3.21Å; N1412-D1501 PolarHBondContact OD1-OD2 3.06Å; P1416-D1501 WeakPolarHBondContact CD-OD2 3.4Å; P1416-D1501 HydrophobicContact CG-CB 3.95Å; P1416-D1501 VanDerWaalsContact CG-N 3.33Å; N1451-D1501 VanDerWaalsContact O-CB 3.24Å; N1451-D1501 WeakPolarHBondContact O-CB 3.42Å; Q1453-D1501 CarbonylContact O-C 3.52Å; Q1453-D1501 VanDerWaalsContact O-C 3.31Å; Q1453-D1501 VanDerWaalsContact O-CA 3.29Å; Q1453-D1501 WeakPolarHBondContact O-CA 3.27Å; Q1453-D1501 VanDerWaalsContact O-CB 3.22Å; Q1453-D1501 WeakPolarHBondContact O-CB 3.47Å; V1454-D1501 HydrophobicContact CG2-CB 4.23Å; D1501-G1503 WeakPolarHBondContact OD1-CA 3.36Å; D1501-G1503 PolarHBondContact OD1-N 2.92Å; D1501-P1506 VanDerWaalsContact O-CB 3.29Å; D1501-P1506 WeakPolarHBondContact O-CB 3.28Å; D1501-P1506 VanDerWaalsContact OD1-C 3.29Å; D1501-P1506 WeakPolarHBondContact OD1-CA 3.27Å; D1501-P1506 VanDerWaalsContact OD1-CB 3.3Å; D1501-P1506 WeakPolarHBondContact OD1-CB 3.36Å; D1501-R1507 VanDerWaalsContact CG-N 3.3Å; D1501-R1507 PolarHBondContact N-O 2.91Å; D1501-R1507 PolarHBondContact OD1-N 2.93Å; D1501-R1507 VanDerWaalsContact OD1-N 3.14Å; D1501-R1507 VanDerWaalsContact OD2-C 3.31Å; D1501-R1507 VanDerWaalsContact OD2-CA 3.25Å; D1501-R1507 WeakPolarHBondContact OD2-CA 3.26Å; D1501-R1507 VanDerWaalsContact OD2-CB 3.25Å; D1501-R1507 WeakPolarHBondContact OD2-CB 3.18Å; D1501-R1507 VanDerWaalsContact OD2-CG 3.22Å; D1501-R1507 WeakPolarHBondContact OD2-CG 3.22Å; D1501-R1507 PolarHBondContact OD2-N 3.02Å; D1501-R1507 VanDerWaalsContact OD2-O 3.1Å
1502R80.9Confident85.8Confident118 Ų11864.4 Ų64.445%0.44532%0.322SS..SBendtrans-107.58.1175.3-66.7-171.1178.9152.23.7113.7S1450 Q1453 V1455 D1474S1450-R1502 CarbonylContact O-C 3.51Å; S1450-R1502 WeakPolarHBondContact O-CA 3.49Å; S1450-R1502 VanDerWaalsContact O-CB 3.32Å; S1450-R1502 WeakPolarHBondContact O-CB 3.27Å; S1450-R1502 PolarHBondContact O-N 3.27Å; S1450-R1502 VanDerWaalsContact O-N 3.16Å; Q1453-R1502 HydrophobicContact CB-CB 4.17Å; Q1453-R1502 HydrophobicContact CB-CG 4.23Å; Q1453-R1502 PolarHBondContact O-N 3.01Å; Q1453-R1502 VanDerWaalsContact O-N 3.14Å; V1455-R1502 HydrophobicContact CG2-CG 4.01Å; V1455-R1502 VanDerWaalsContact CG2-NE 3.31Å; V1455-R1502 VanDerWaalsContact CG2-NH2 3.34Å; D1474-R1502 VanDerWaalsContact CG-CZ 3.43Å; D1474-R1502 IonicContact OD1-CZ 3.31Å; D1474-R1502 IonicContact OD1-NE 3.29Å; D1474-R1502 IonicContact OD1-NH1 3.03Å; D1474-R1502 PolarHBondContact OD1-NH1 2.94Å; D1474-R1502 IonicContact OD1-NH2 3.31Å; D1474-R1502 PolarHBondContact OD1-NH2 3.15Å; D1474-R1502 IonicContact OD2-CZ 2.89Å; D1474-R1502 IonicContact OD2-NE 2.84Å; D1474-R1502 IonicContact OD2-NH1 2.87Å; D1474-R1502 PolarHBondContact OD2-NH1 2.94Å; D1474-R1502 IonicContact OD2-NH2 3.19Å; D1474-R1502 PolarHBondContact OD2-NH2 2.91Å
1503G78Confident85.8Confident8 Ų860.2 Ų60.28%0.08230%0.302CS..SBendtrans-66166.8174.800000112.4N1412 N1451 D1501 P1505 P1506N1412-G1503 VanDerWaalsContact CG-CA 3.48Å; N1451-G1503 VanDerWaalsContact OD1-CA 3.29Å; N1451-G1503 WeakPolarHBondContact OD1-CA 3.44Å; D1501-G1503 WeakPolarHBondContact OD1-CA 3.36Å; D1501-G1503 PolarHBondContact OD1-N 2.92Å; G1503-P1505 CarbonylContact O-C 3.42Å; G1503-P1506 WeakPolarHBondContact O-CA 3.42Å; G1503-P1506 WeakPolarHBondContact O-CB 3.33Å; G1503-P1506 VanDerWaalsContact O-CD 3.29Å; G1503-P1506 WeakPolarHBondContact O-CD 3.33Å; G1503-P1506 VanDerWaalsContact O-N 3.14Å
1504T70.7Confident85.9Confident134 Ų13463.8 Ų63.882%0.82232%0.32SS*.SBendtrans-121.4103.8179.6480000111
1505P71.5Confident85.9Confident107.4 Ų107.459.8 Ų59.870%0.69730%0.299SS*.SBendcis-81.5149.93.233.8-34.9000113.5N1412 G1503 R1507N1412-P1505 PolarHBondContact ND2-O 3.11Å; N1412-P1505 VanDerWaalsContact ND2-O 3.1Å; G1503-P1505 CarbonylContact O-C 3.42Å; P1505-R1507 PolarHBondContact O-N 3.07Å
1506P83.7Confident85.8Confident67.8 Ų67.862.7 Ų62.744%0.4432%0.317SS..  trans-83.5143.9-175.331.5-34.9000113.8D1501 G1503D1501-P1506 VanDerWaalsContact O-CB 3.29Å; D1501-P1506 WeakPolarHBondContact O-CB 3.28Å; D1501-P1506 VanDerWaalsContact OD1-C 3.29Å; D1501-P1506 WeakPolarHBondContact OD1-CA 3.27Å; D1501-P1506 VanDerWaalsContact OD1-CB 3.3Å; D1501-P1506 WeakPolarHBondContact OD1-CB 3.36Å; G1503-P1506 WeakPolarHBondContact O-CA 3.42Å; G1503-P1506 WeakPolarHBondContact O-CB 3.33Å; G1503-P1506 VanDerWaalsContact O-CD 3.29Å; G1503-P1506 WeakPolarHBondContact O-CD 3.33Å; G1503-P1506 VanDerWaalsContact O-N 3.14Å
1507R83.5Confident85.7Confident121.8 Ų121.859.7 Ų59.746%0.4630%0.304SS..  trans-111.7154-176.1-54.2169.393.6142.8-12.2110.7N1412 D1413 N1414 S1415 P1416 S1500 D1501 P1505N1412-R1507 WeakPolarHBondContact ND2-CD 3.49Å; N1412-R1507 WeakPolarHBondContact ND2-CG 3.17Å; N1412-R1507 VanDerWaalsContact O-CD 3.23Å; N1412-R1507 WeakPolarHBondContact O-CD 3.33Å; N1412-R1507 PolarHBondContact O-NE 3.46Å; N1412-R1507 PolarHBondContact O-NH1 3.04Å; D1413-R1507 VanDerWaalsContact C-NH1 3.26Å; D1413-R1507 VanDerWaalsContact CA-NH1 3.32Å; D1413-R1507 PolarHBondContact O-NE 3.35Å; D1413-R1507 PolarHBondContact O-NH1 2.91Å; D1413-R1507 PolarHBondContact O-NH2 3.21Å; N1414-R1507 VanDerWaalsContact O-CD 3.24Å; N1414-R1507 WeakPolarHBondContact O-CD 3.35Å; N1414-R1507 PolarHBondContact O-NE 3.09Å; N1414-R1507 VanDerWaalsContact O-NE 3.08Å; N1414-R1507 PolarHBondContact O-NH1 2.72Å; N1414-R1507 PolarHBondContact O-NH2 3.17Å; S1415-R1507 VanDerWaalsContact OG-CB 3.24Å; S1415-R1507 WeakPolarHBondContact OG-CB 3.29Å; S1415-R1507 WeakPolarHBondContact OG-CD 3.42Å; S1415-R1507 PolarHBondContact OG-NE 3.07Å; S1415-R1507 PolarHBondContact OG-NH2 3.13Å; S1415-R1507 VanDerWaalsContact OG-NH2 3.17Å; P1416-R1507 WeakPolarHBondContact CD-O 3.16Å; S1500-R1507 CarbonylContact C-O 3.56Å; S1500-R1507 VanDerWaalsContact CA-O 3.29Å; S1500-R1507 WeakPolarHBondContact CA-O 3.35Å; D1501-R1507 VanDerWaalsContact CG-N 3.3Å; D1501-R1507 PolarHBondContact N-O 2.91Å; D1501-R1507 PolarHBondContact OD1-N 2.93Å; D1501-R1507 VanDerWaalsContact OD1-N 3.14Å; D1501-R1507 VanDerWaalsContact OD2-C 3.31Å; D1501-R1507 VanDerWaalsContact OD2-CA 3.25Å; D1501-R1507 WeakPolarHBondContact OD2-CA 3.26Å; D1501-R1507 VanDerWaalsContact OD2-CB 3.25Å; D1501-R1507 WeakPolarHBondContact OD2-CB 3.18Å; D1501-R1507 VanDerWaalsContact OD2-CG 3.22Å; D1501-R1507 WeakPolarHBondContact OD2-CG 3.22Å; D1501-R1507 PolarHBondContact OD2-N 3.02Å; D1501-R1507 VanDerWaalsContact OD2-O 3.1Å; P1505-R1507 PolarHBondContact O-N 3.07Å
1508K88.2Confident85.5Confident136 Ų13663.6 Ų63.659%0.59133%0.325SS*.EExtended strand (participates in β ladder)trans-141.8153-163.4-56.3-168.6-178.1-151.80114.2V1498 A1499 S1500V1498-K1508 HydrophobicContact CG1-CB 3.95Å; V1498-K1508 HydrophobicContact CG1-CD 4.06Å; V1498-K1508 HydrophobicContact CG1-CG 4.39Å; A1499-K1508 CarbonylContact O-C 3.53Å; A1499-K1508 VanDerWaalsContact O-CA 3.29Å; A1499-K1508 WeakPolarHBondContact O-CA 3.17Å; A1499-K1508 VanDerWaalsContact O-CB 3.3Å; A1499-K1508 WeakPolarHBondContact O-CB 3.26Å; S1500-K1508 VanDerWaalsContact OG-CE 3.31Å; S1500-K1508 WeakPolarHBondContact OG-CE 3.28Å; S1500-K1508 WeakPolarHBondContact OG-CG 3.42Å; S1500-K1508 PolarHBondContact OG-NZ 3.02Å
1509K87.8Confident85.5Confident124.6 Ų124.664.5 Ų64.554%0.54233%0.329SS..EExtended strand (participates in β ladder)trans-142.9153.3173.9-165.163.6176.41800112.2P1416 F1418 V1498 A1499P1416-K1509 VanDerWaalsContact O-CB 3.28Å; P1416-K1509 WeakPolarHBondContact O-CB 3.31Å; P1416-K1509 WeakPolarHBondContact O-CG 3.35Å; F1418-K1509 HydrophobicContact CD2-CB 4.1Å; F1418-K1509 HydrophobicContact CD2-CG 4Å; F1418-K1509 VanDerWaalsContact CD2-CG 3.41Å; F1418-K1509 HydrophobicContact CE2-CB 4.16Å; F1418-K1509 HydrophobicContact CE2-CG 4.12Å; F1418-K1509 WeakPolarHBondContact CE2-O 3.25Å; V1498-K1509 CarbonylContact C-O 3.52Å; V1498-K1509 VanDerWaalsContact CA-O 3.29Å; V1498-K1509 WeakPolarHBondContact CA-O 3.35Å; V1498-K1509 WeakPolarHBondContact CG1-O 3.19Å; A1499-K1509 PolarHBondContact N-O 3.06Å; A1499-K1509 PolarHBondContact O-N 2.99Å
1510D89.2Confident85.3Confident80.8 Ų80.866.4 Ų66.443%0.43234%0.34SS..EExtended strand (participates in β ladder)trans-108.2149.3-178.9-66.6-3.1000112.3K1496 V1497 V1498K1496-D1510 HydrophobicContact CD-CB 4.13Å; K1496-D1510 WeakPolarHBondContact CE-OD1 3.5Å; K1496-D1510 VanDerWaalsContact CE-OD2 3.27Å; K1496-D1510 WeakPolarHBondContact CE-OD2 3.32Å; K1496-D1510 HydrophobicContact CG-CB 3.97Å; K1496-D1510 VanDerWaalsContact NZ-CG 3.25Å; K1496-D1510 IonicContact NZ-OD1 2.82Å; K1496-D1510 IonicContact NZ-OD2 3.23Å; K1496-D1510 PolarHBondContact NZ-OD2 3.15Å; V1497-D1510 CarbonylContact O-C 3.48Å; V1497-D1510 WeakPolarHBondContact O-CA 3.13Å; V1498-D1510 VanDerWaalsContact CG2-OD1 3.26Å; V1498-D1510 WeakPolarHBondContact CG2-OD1 3.42Å
1511H87.1Confident85.4Confident34.6 Ų34.666.3 Ų66.316%0.1634%0.339CS..EExtended strand (participates in β ladder)trans-140.4152.6173.3-168.327.3000111.1F1418 S1422 D1423 S1424 K1496 V1497F1418-H1511 HydrophobicContact CD1-CB 3.87Å; F1418-H1511 AromaticContact CD1-CD2 3.78Å; F1418-H1511 AromaticContact CD1-CG 3.84Å; F1418-H1511 HydrophobicContact CD2-CB 3.91Å; F1418-H1511 HydrophobicContact CE1-CB 3.64Å; F1418-H1511 VanDerWaalsContact CE1-CB 3.49Å; F1418-H1511 AromaticContact CE1-CG 3.98Å; F1418-H1511 HydrophobicContact CE2-CB 3.81Å; F1418-H1511 VanDerWaalsContact CE2-CB 3.45Å; F1418-H1511 HydrophobicContact CG-CB 4Å; F1418-H1511 AromaticContact CG-CD2 3.56Å; F1418-H1511 AromaticContact CG-CG 3.85Å; F1418-H1511 HydrophobicContact CZ-CB 3.65Å; S1422-H1511 WeakPolarHBondContact CB-NE2 3.24Å; S1422-H1511 PolarHBondContact O-CE1 3.13Å; S1422-H1511 PolarHBondContact O-NE2 3.1Å; D1423-H1511 PolarHBondContact O-CE1 2.95Å; D1423-H1511 VanDerWaalsContact O-CE1 3.24Å; D1423-H1511 PolarHBondContact O-ND1 3.06Å; D1423-H1511 PolarHBondContact O-NE2 2.93Å; S1424-H1511 PolarHBondContact OG-CE1 3.19Å; S1424-H1511 VanDerWaalsContact OG-CE1 3.28Å; S1424-H1511 PolarHBondContact OG-NE2 3.02Å; K1496-H1511 VanDerWaalsContact CG-O 3.27Å; K1496-H1511 WeakPolarHBondContact CG-O 3.31Å; V1497-H1511 HydrophobicContact CB-CB 4.36Å; V1497-H1511 PolarHBondContact N-O 3.01Å; V1497-H1511 PolarHBondContact O-N 3.19Å; V1497-H1511 VanDerWaalsContact O-O 3.08Å
1512I90.3Very high85.3Confident105 Ų10570.6 Ų70.654%0.53836%0.361SS..EExtended strand (participates in β ladder)trans-114.2132.9178.8-62.1175.9000109.1I1494 L1495 K1496 Q1514I1494-I1512 HydrophobicContact CG2-CG2 3.92Å; L1495-I1512 WeakPolarHBondContact O-CA 3.22Å; K1496-I1512 HydrophobicContact CG-CG1 4.47Å; I1512-Q1514 HydrophobicContact CG2-CG 4.33Å
1513L89.1Confident85.5Confident0 Ų066.7 Ų66.70%035%0.35CS..EExtended strand (participates in β ladder)trans-124.8116.7177170.965.5000109.8D1423 S1424 I1426 A1439 V1479 I1494 L1495 V1497 V1515D1423-L1513 HydrophobicContact CB-CD1 4.16Å; D1423-L1513 VanDerWaalsContact O-CD1 3.28Å; D1423-L1513 WeakPolarHBondContact O-CD1 3.48Å; S1424-L1513 CarbonylContact O-C 3.49Å; S1424-L1513 WeakPolarHBondContact O-CA 3.31Å; I1426-L1513 HydrophobicContact CB-CD1 4.47Å; I1426-L1513 HydrophobicContact CD1-CD1 4.31Å; I1426-L1513 HydrophobicContact CG1-CD1 4.21Å; I1426-L1513 HydrophobicContact CG2-CD1 4.27Å; A1439-L1513 HydrophobicContact CB-CD1 4.04Å; A1439-L1513 HydrophobicContact CB-CD2 3.57Å; A1439-L1513 VanDerWaalsContact CB-CD2 3.49Å; A1439-L1513 HydrophobicContact CB-CG 4.41Å; V1479-L1513 HydrophobicContact CB-CD2 4.42Å; V1479-L1513 HydrophobicContact CG1-CD2 4.42Å; V1479-L1513 HydrophobicContact CG2-CD2 4.02Å; I1494-L1513 CarbonylContact C-O 3.56Å; L1495-L1513 WeakPolarHBondContact CA-O 3.42Å; L1495-L1513 HydrophobicContact CB-CB 4.3Å; L1495-L1513 HydrophobicContact CB-CG 4.47Å; L1495-L1513 WeakPolarHBondContact CB-O 3.25Å; L1495-L1513 HydrophobicContact CD1-CD2 4.17Å; L1495-L1513 PolarHBondContact N-O 2.99Å; L1495-L1513 PolarHBondContact O-N 2.92Å; V1497-L1513 HydrophobicContact CG2-CB 4.09Å; V1497-L1513 HydrophobicContact CG2-CD2 4.4Å; L1513-V1515 HydrophobicContact CD2-CG2 4.26Å; L1513-V1515 HydrophobicContact CG-CG2 4.21Å
1514Q90Very high85.9Confident96.2 Ų96.269.7 Ų69.745%0.4537%0.367SS..EExtended strand (participates in β ladder)trans-91.4136.6172-101.9178.9-37.800110.6S1424 A1425 I1426 Y1493 I1494 I1512S1424-Q1514 PolarHBondContact O-N 2.92Å; S1424-Q1514 VanDerWaalsContact O-N 3.13Å; A1425-Q1514 CarbonylContact C-O 3.51Å; A1425-Q1514 VanDerWaalsContact CA-O 3.25Å; A1425-Q1514 WeakPolarHBondContact CA-O 3.34Å; A1425-Q1514 HydrophobicContact CB-CB 4.31Å; I1426-Q1514 WeakPolarHBondContact CG1-O 3.31Å; I1426-Q1514 PolarHBondContact N-O 3.12Å; Y1493-Q1514 CarbonylContact O-C 3.45Å; Y1493-Q1514 WeakPolarHBondContact O-CA 3.21Å; I1494-Q1514 HydrophobicContact CG1-CG 4.34Å; I1494-Q1514 HydrophobicContact CG2-CG 4.34Å; I1512-Q1514 HydrophobicContact CG2-CG 4.33Å
1515V90Very high86.8Confident0.8 Ų0.863.6 Ų63.61%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-124.2120.4176.9-170.60000108.7I1426 V1428 F1467 H1492 Y1493 L1495 L1513 I1517I1426-V1515 HydrophobicContact CD1-CB 4.38Å; I1426-V1515 HydrophobicContact CD1-CG1 3.9Å; I1426-V1515 HydrophobicContact CD1-CG2 3.88Å; I1426-V1515 HydrophobicContact CG1-CB 4.14Å; I1426-V1515 HydrophobicContact CG1-CG1 3.96Å; I1426-V1515 HydrophobicContact CG1-CG2 3.85Å; I1426-V1515 WeakPolarHBondContact O-CA 3.15Å; V1428-V1515 HydrophobicContact CB-CG1 4.32Å; V1428-V1515 HydrophobicContact CG2-CG1 3.8Å; F1467-V1515 HydrophobicContact CE1-CG1 4.05Å; F1467-V1515 HydrophobicContact CE1-CG2 4.36Å; F1467-V1515 HydrophobicContact CE2-CG1 4.5Å; F1467-V1515 HydrophobicContact CZ-CB 4.27Å; F1467-V1515 HydrophobicContact CZ-CG1 3.82Å; F1467-V1515 HydrophobicContact CZ-CG2 4.33Å; H1492-V1515 CarbonylContact C-O 3.5Å; H1492-V1515 VanDerWaalsContact CA-O 3.26Å; H1492-V1515 WeakPolarHBondContact CA-O 3.35Å; H1492-V1515 WeakPolarHBondContact CB-O 3.21Å; Y1493-V1515 PolarHBondContact N-O 2.99Å; Y1493-V1515 PolarHBondContact O-N 2.94Å; L1495-V1515 HydrophobicContact CD1-CG2 3.9Å; L1495-V1515 HydrophobicContact CG-CG2 4.24Å; L1513-V1515 HydrophobicContact CD2-CG2 4.26Å; L1513-V1515 HydrophobicContact CG-CG2 4.21Å; V1515-I1517 HydrophobicContact CG1-CD1 4.28Å
1516T88.4Confident87.6Confident62.2 Ų62.262.7 Ų62.738%0.38232%0.322SS..EExtended strand (participates in β ladder)trans-102.8135.1172.9-53.40000109.2I1426 S1427 V1428 D1491 H1492I1426-T1516 PolarHBondContact O-N 2.86Å; S1427-T1516 CarbonylContact C-O 3.47Å; S1427-T1516 VanDerWaalsContact CA-O 3.29Å; S1427-T1516 WeakPolarHBondContact CA-O 3.23Å; V1428-T1516 PolarHBondContact N-O 3.14Å; V1428-T1516 VanDerWaalsContact O-O 3.1Å; D1491-T1516 WeakPolarHBondContact O-CA 3.25Å; H1492-T1516 HydrophobicContact CB-CG2 4.47Å
1517I89.7Confident87.8Confident7.4 Ų7.460.3 Ų60.34%0.03831%0.306CS..EExtended strand (participates in β ladder)trans-88133.8175.7-50.2-49.8000109.1V1428 E1430 F1467 L1485 R1487 L1490 D1491 Y1493 V1515V1428-I1517 HydrophobicContact CB-CD1 4.44Å; V1428-I1517 CarbonylContact O-C 3.45Å; V1428-I1517 VanDerWaalsContact O-CA 3.27Å; V1428-I1517 WeakPolarHBondContact O-CA 3.29Å; E1430-I1517 HydrophobicContact CB-CG2 3.77Å; F1467-I1517 HydrophobicContact CZ-CD1 4.36Å; L1485-I1517 HydrophobicContact CB-CD1 4.42Å; L1485-I1517 HydrophobicContact CB-CG2 4.16Å; L1485-I1517 HydrophobicContact CD1-CD1 3.96Å; L1485-I1517 HydrophobicContact CD2-CD1 4.28Å; L1485-I1517 HydrophobicContact CD2-CG1 4.47Å; L1485-I1517 HydrophobicContact CG-CD1 4.45Å; R1487-I1517 HydrophobicContact CB-CB 4.31Å; R1487-I1517 HydrophobicContact CB-CG2 3.9Å; R1487-I1517 HydrophobicContact CG-CB 4.15Å; R1487-I1517 HydrophobicContact CG-CG2 4.12Å; L1490-I1517 WeakPolarHBondContact O-CG1 3.4Å; D1491-I1517 WeakPolarHBondContact O-CA 3.3Å; D1491-I1517 VanDerWaalsContact O-CB 3.24Å; D1491-I1517 WeakPolarHBondContact O-CB 3.15Å; D1491-I1517 WeakPolarHBondContact O-CG1 3.34Å; D1491-I1517 PolarHBondContact O-N 3.07Å; Y1493-I1517 HydrophobicContact CD2-CD1 4.12Å; Y1493-I1517 HydrophobicContact CD2-CG1 4.1Å; Y1493-I1517 HydrophobicContact CE2-CD1 4Å; Y1493-I1517 HydrophobicContact CE2-CG1 4.05Å; V1515-I1517 HydrophobicContact CG1-CD1 4.28Å
1518L86.4Confident87.8Confident82.4 Ų82.460.3 Ų60.343%0.43131%0.311SS..EExtended strand (participates in β ladder)trans-101140.5177.3-58.4174.7000110.4S1427 V1428 P1429 E1430 V1520S1427-L1518 VanDerWaalsContact CB-CD2 3.47Å; S1427-L1518 VanDerWaalsContact CB-CG 3.45Å; V1428-L1518 PolarHBondContact O-N 3.13Å; P1429-L1518 WeakPolarHBondContact CA-O 3.36Å; P1429-L1518 HydrophobicContact CB-CB 4.41Å; E1430-L1518 PolarHBondContact N-O 3.39Å; E1430-L1518 VanDerWaalsContact N-O 3.08Å; L1518-V1520 PolarHBondContact O-N 3.37Å
1519D87.8Confident87.7Confident38.4 Ų38.455.9 Ų55.921%0.20530%0.297CS..PPolyproline II helixtrans-67.6135.6179.4-169.271.9000112.8E1430 R1487 D1556 I1557 N1560E1430-D1519 VanDerWaalsContact OE1-CA 3.24Å; E1430-D1519 WeakPolarHBondContact OE1-CA 3.24Å; R1487-D1519 VanDerWaalsContact CD-CA 3.49Å; R1487-D1519 WeakPolarHBondContact CD-OD1 3.35Å; R1487-D1519 IonicContact CZ-OD1 3.56Å; R1487-D1519 VanDerWaalsContact CZ-OD1 3.29Å; R1487-D1519 VanDerWaalsContact NE-CA 3.34Å; R1487-D1519 VanDerWaalsContact NE-CG 3.31Å; R1487-D1519 IonicContact NE-OD1 3.37Å; R1487-D1519 PolarHBondContact NE-OD1 2.89Å; R1487-D1519 IonicContact NH1-OD1 3.96Å; R1487-D1519 PolarHBondContact NH1-OD1 2.55Å; R1487-D1519 IonicContact NH2-OD1 3.03Å; R1487-D1519 PolarHBondContact NH2-OD1 3.12Å; R1487-D1519 VanDerWaalsContact NH2-OD1 3.08Å; D1519-D1556 WeakPolarHBondContact OD1-CA 3.39Å; D1519-I1557 HydrophobicContact CB-CD1 4.12Å; D1519-I1557 HydrophobicContact CB-CG1 3.46Å; D1519-I1557 VanDerWaalsContact CB-CG1 3.46Å; D1519-I1557 HydrophobicContact CB-CG2 3.83Å; D1519-I1557 VanDerWaalsContact CG-CG1 3.47Å; D1519-I1557 VanDerWaalsContact CG-CG2 3.43Å; D1519-I1557 VanDerWaalsContact CG-N 3.29Å; D1519-I1557 WeakPolarHBondContact OD1-CB 3.36Å; D1519-I1557 WeakPolarHBondContact OD1-CG1 3.32Å; D1519-I1557 WeakPolarHBondContact OD1-CG2 3.26Å; D1519-I1557 PolarHBondContact OD1-N 2.84Å; D1519-I1557 VanDerWaalsContact OD1-N 3.12Å; D1519-I1557 PolarHBondContact OD2-N 3.15Å; D1519-I1557 VanDerWaalsContact OD2-N 3.12Å; D1519-I1557 VanDerWaalsContact OD2-O 3.08Å; D1519-N1560 VanDerWaalsContact CG-ND2 3.28Å; D1519-N1560 PolarHBondContact OD1-ND2 3.05Å; D1519-N1560 VanDerWaalsContact OD2-CB 3.3Å; D1519-N1560 WeakPolarHBondContact OD2-CB 3.32Å; D1519-N1560 PolarHBondContact OD2-ND2 3.12Å
1520V86.7Confident87.3Confident40.8 Ų40.853.6 Ų53.625%0.24730%0.295CS..  trans-124.7139.5172.4179.50000109.1P1429 E1430 D1431 L1518 D1522 N1560P1429-V1520 HydrophobicContact CB-CG2 3.85Å; E1430-V1520 HydrophobicContact CG-CB 4.11Å; E1430-V1520 HydrophobicContact CG-CG2 4.04Å; E1430-V1520 PolarHBondContact OE1-N 3.06Å; D1431-V1520 HydrophobicContact CB-CG1 4.31Å; D1431-V1520 HydrophobicContact CB-CG2 4.21Å; L1518-V1520 PolarHBondContact O-N 3.37Å; V1520-D1522 VanDerWaalsContact C-N 3.35Å; V1520-D1522 PolarHBondContact O-N 2.85Å; V1520-N1560 PolarHBondContact O-ND2 2.82Å
1521N87.9Confident86.8Confident14.8 Ų14.859.3 Ų59.38%0.07932%0.317CS..SBendtrans-72.497.2179-158.854.3000110.9D1556 N1560 D1608 G1610 T1611 P1612 L1614N1521-D1556 VanDerWaalsContact CA-OD2 3.27Å; N1521-D1556 WeakPolarHBondContact CA-OD2 3.3Å; N1521-D1556 PolarHBondContact OD1-OD2 2.9Å; N1521-N1560 HydrophobicContact CB-CB 4.2Å; N1521-N1560 VanDerWaalsContact CB-CG 3.48Å; N1521-N1560 WeakPolarHBondContact CB-OD1 3.46Å; N1521-N1560 PolarHBondContact N-ND2 2.93Å; N1521-N1560 VanDerWaalsContact OD1-CA 3.27Å; N1521-N1560 WeakPolarHBondContact OD1-CA 3.36Å; N1521-N1560 VanDerWaalsContact OD1-CB 3.25Å; N1521-N1560 WeakPolarHBondContact OD1-CB 3.39Å; N1521-N1560 VanDerWaalsContact OD1-CG 3.27Å; N1521-N1560 PolarHBondContact OD1-O 2.83Å; N1521-N1560 VanDerWaalsContact OD1-O 3.1Å; N1521-N1560 PolarHBondContact OD1-OD1 2.75Å; N1521-D1608 VanDerWaalsContact ND2-CG 3.26Å; N1521-D1608 PolarHBondContact ND2-OD1 3.09Å; N1521-D1608 VanDerWaalsContact ND2-OD1 3.09Å; N1521-D1608 PolarHBondContact ND2-OD2 3.31Å; N1521-G1610 WeakPolarHBondContact ND2-CA 3.2Å; N1521-T1611 WeakPolarHBondContact CB-O 3.21Å; N1521-P1612 PolarHBondContact ND2-O 3.09Å; N1521-L1614 WeakPolarHBondContact ND2-CG 3.23Å; N1521-L1614 PolarHBondContact ND2-N 3.11Å
1522D85Confident86.6Confident101.4 Ų101.458.7 Ų58.754%0.54232%0.32SS..  trans-129.4-18.4-170.2125-46.4000113.5V1520 P1524 D1556V1520-D1522 VanDerWaalsContact C-N 3.35Å; V1520-D1522 PolarHBondContact O-N 2.85Å; D1522-P1524 VanDerWaalsContact O-CD 3.3Å; D1522-P1524 WeakPolarHBondContact O-CD 3.35Å; D1522-D1556 PolarHBondContact N-OD2 3.08Å
1523N84.8Confident86.4Confident37 Ų3755.6 Ų55.620%0.19830%0.302CS..SBendtrans-104.3120.2174.3-68.4-89.7000112.2D1554 R1555 D1556N1523-D1554 VanDerWaalsContact O-OD1 3.13Å; N1523-R1555 HydrophobicContact CB-CB 3.83Å; N1523-R1555 HydrophobicContact CB-CG 4.5Å; N1523-R1555 WeakPolarHBondContact OD1-CD 3.28Å; N1523-D1556 VanDerWaalsContact CB-OD1 3.27Å; N1523-D1556 WeakPolarHBondContact CB-OD1 3.38Å; N1523-D1556 PolarHBondContact N-OD1 2.99Å; N1523-D1556 PolarHBondContact N-OD2 2.82Å; N1523-D1556 VanDerWaalsContact N-OD2 3.1Å; N1523-D1556 PolarHBondContact ND2-OD1 2.91Å
1524P86.3Confident86.3Confident69.4 Ų69.461.9 Ų61.945%0.45134%0.335SS..  trans-83.8154.7179.131.5-35.2000114.6D1522 V1526 D1554 L1614D1522-P1524 VanDerWaalsContact O-CD 3.3Å; D1522-P1524 WeakPolarHBondContact O-CD 3.35Å; P1524-V1526 WeakPolarHBondContact O-CG2 3.36Å; P1524-V1526 PolarHBondContact O-N 3.03Å; P1524-D1554 WeakPolarHBondContact CA-OD2 3.44Å; P1524-L1614 HydrophobicContact CB-CB 3.74Å; P1524-L1614 VanDerWaalsContact CB-CB 3.45Å; P1524-L1614 HydrophobicContact CB-CD1 3.92Å; P1524-L1614 HydrophobicContact CB-CG 4Å; P1524-L1614 HydrophobicContact CG-CD1 4.27Å
1525P89.5Confident86.2Confident6.4 Ų6.459.4 Ų59.44%0.04233%0.327CS..  trans-60137.5177.9-27.333.8000115.2D1554 L1563 V1606 E1607 D1608 L1614 A1616P1525-D1554 VanDerWaalsContact CA-OD2 3.29Å; P1525-D1554 WeakPolarHBondContact CA-OD2 3.31Å; P1525-D1554 WeakPolarHBondContact CD-OD2 3.39Å; P1525-D1554 WeakPolarHBondContact CG-OD2 3.31Å; P1525-D1554 VanDerWaalsContact N-OD2 3.13Å; P1525-L1563 HydrophobicContact CB-CD1 4.48Å; P1525-L1563 HydrophobicContact CB-CD2 3.67Å; P1525-L1563 HydrophobicContact CG-CD2 3.52Å; P1525-L1563 VanDerWaalsContact CG-CD2 3.43Å; P1525-V1606 HydrophobicContact CB-CG1 4.3Å; P1525-E1607 VanDerWaalsContact CG-C 3.41Å; P1525-D1608 VanDerWaalsContact CD-OD2 3.32Å; P1525-D1608 WeakPolarHBondContact CD-OD2 3.46Å; P1525-D1608 HydrophobicContact CG-CB 4.15Å; P1525-L1614 VanDerWaalsContact CD-O 3.26Å; P1525-L1614 WeakPolarHBondContact CD-O 3.36Å; P1525-L1614 VanDerWaalsContact CG-O 3.29Å; P1525-L1614 WeakPolarHBondContact CG-O 3.36Å; P1525-A1616 VanDerWaalsContact O-CB 3.25Å; P1525-A1616 WeakPolarHBondContact O-CB 3.28Å
1526V87.6Confident86.1Confident88.4 Ų88.463.4 Ų63.454%0.53636%0.355SS..EExtended strand (participates in β ladder)trans-115.4113.6-178.4-174.70000112.4P1524 A1552 T1553P1524-V1526 WeakPolarHBondContact O-CG2 3.36Å; P1524-V1526 PolarHBondContact O-N 3.03Å; V1526-A1552 CarbonylContact O-C 3.51Å; V1526-A1552 WeakPolarHBondContact O-CA 3.29Å; V1526-A1552 WeakPolarHBondContact O-CB 3.36Å; V1526-T1553 WeakPolarHBondContact CB-O 3.47Å; V1526-T1553 PolarHBondContact N-O 2.98Å; V1526-T1553 PolarHBondContact O-N 2.85Å
1527I88.5Confident86Confident17.6 Ų17.661.2 Ų61.29%0.0934%0.341CS..EExtended strand (participates in β ladder)trans-82.7138.2179.8-63.2172.9000112.7S1529 V1550 R1551 A1552 V1606 A1616 T1618I1527-S1529 VanDerWaalsContact C-N 3.28Å; I1527-S1529 PolarHBondContact O-N 2.85Å; I1527-V1550 HydrophobicContact CG2-CG1 4.19Å; I1527-R1551 CarbonylContact C-O 3.5Å; I1527-R1551 VanDerWaalsContact CA-O 3.23Å; I1527-R1551 WeakPolarHBondContact CA-O 3.34Å; I1527-R1551 WeakPolarHBondContact CG2-O 3.32Å; I1527-A1552 HydrophobicContact CB-CB 4.44Å; I1527-A1552 HydrophobicContact CG1-CB 4.04Å; I1527-V1606 HydrophobicContact CD1-CB 4.22Å; I1527-V1606 HydrophobicContact CD1-CG2 3.84Å; I1527-V1606 HydrophobicContact CG1-CB 4.21Å; I1527-V1606 HydrophobicContact CG1-CG2 3.9Å; I1527-V1606 VanDerWaalsContact CG1-CG2 3.48Å; I1527-A1616 HydrophobicContact CB-CB 4.12Å; I1527-A1616 VanDerWaalsContact CD1-C 3.46Å; I1527-A1616 HydrophobicContact CD1-CB 3.82Å; I1527-A1616 WeakPolarHBondContact CD1-O 3.38Å; I1527-A1616 HydrophobicContact CG1-CB 4Å; I1527-T1618 HydrophobicContact CD1-CG2 4.11Å; I1527-T1618 HydrophobicContact CG2-CG2 4.22Å
1528E84.1Confident85.8Confident121.4 Ų121.464.4 Ų64.457%0.56736%0.358SS*.SBendtrans-66-39.6-179.9-85.4-175.5169.600114.4P1530 R1551E1528-P1530 VanDerWaalsContact O-CD 3.28Å; E1528-P1530 WeakPolarHBondContact O-CD 3.3Å; E1528-R1551 HydrophobicContact CB-CB 4.36Å; E1528-R1551 VanDerWaalsContact CD-CB 3.49Å; E1528-R1551 HydrophobicContact CG-CB 3.95Å; E1528-R1551 PolarHBondContact N-O 3.08Å; E1528-R1551 WeakPolarHBondContact OE2-CB 3.42Å; E1528-R1551 VanDerWaalsContact OE2-CD 3.28Å; E1528-R1551 WeakPolarHBondContact OE2-CD 3.22Å; E1528-R1551 IonicContact OE2-CZ 3.94Å; E1528-R1551 IonicContact OE2-NH1 3.66Å; E1528-R1551 PolarHBondContact OE2-NH1 2.81Å
1529S85.3Confident85.7Confident44.4 Ų44.460.7 Ų60.731%0.3134%0.339SS..  trans-121.385.7-178.7-660000111.9I1527 F1531 G1532 T1618I1527-S1529 VanDerWaalsContact C-N 3.28Å; I1527-S1529 PolarHBondContact O-N 2.85Å; S1529-F1531 VanDerWaalsContact C-N 3.3Å; S1529-F1531 PolarHBondContact O-N 3.13Å; S1529-G1532 PolarHBondContact O-N 3.08Å; S1529-T1618 VanDerWaalsContact O-CB 3.26Å; S1529-T1618 WeakPolarHBondContact O-CB 3.15Å; S1529-T1618 VanDerWaalsContact O-CG2 3.31Å; S1529-T1618 WeakPolarHBondContact O-CG2 3.29Å; S1529-T1618 PolarHBondContact O-OG1 2.99Å
1530P78.5Confident85.4Confident77.2 Ų77.262.7 Ų62.750%0.50135%0.349SS..THydrogen-bonded Turntrans-77.3-15-174.929.9-35.6000114.7E1528 G1532 T1618E1528-P1530 VanDerWaalsContact O-CD 3.28Å; E1528-P1530 WeakPolarHBondContact O-CD 3.3Å; P1530-G1532 VanDerWaalsContact C-N 3.31Å; P1530-G1532 PolarHBondContact O-N 2.84Å; P1530-T1618 WeakPolarHBondContact O-CB 3.33Å; P1530-T1618 PolarHBondContact O-OG1 2.83Å
1531F79.1Confident85.1Confident200.4 Ų200.462.4 Ų62.488%0.87935%0.348SS*.THydrogen-bonded Turntrans-89.4-2.3179.5-59.3-69.5000114.9S1529 T1618S1529-F1531 VanDerWaalsContact C-N 3.3Å; S1529-F1531 PolarHBondContact O-N 3.13Å; F1531-T1618 PolarHBondContact N-OG1 3.06Å
1532G83.2Confident84.5Confident22 Ų2264.2 Ų64.223%0.22737%0.369CS..  trans93176.7176.600000117S1529 P1530 T1618 H1619S1529-G1532 PolarHBondContact O-N 3.08Å; P1530-G1532 VanDerWaalsContact C-N 3.31Å; P1530-G1532 PolarHBondContact O-N 2.84Å; G1532-T1618 WeakPolarHBondContact CA-OG1 3.19Å; G1532-T1618 PolarHBondContact N-OG1 3.04Å; G1532-H1619 CarbonylContact C-O 3.51Å; G1532-H1619 WeakPolarHBondContact CA-O 3.25Å
1533Y86.3Confident84.2Confident39 Ų3961.3 Ų61.315%0.15336%0.363CS..EExtended strand (participates in β ladder)trans-127.6140.7-172.6-57.2-98.4000111.6V1548 Q1549 V1550 R1551 T1618 H1619 V1620 Y1621Y1533-V1548 HydrophobicContact CD1-CB 4.37Å; Y1533-V1548 HydrophobicContact CD1-CG1 4.42Å; Y1533-V1548 HydrophobicContact CD1-CG2 3.51Å; Y1533-V1548 HydrophobicContact CD2-CG1 3.79Å; Y1533-V1548 HydrophobicContact CD2-CG2 4.05Å; Y1533-V1548 HydrophobicContact CE1-CG2 4.06Å; Y1533-V1548 VanDerWaalsContact CE1-CG2 3.41Å; Y1533-V1548 HydrophobicContact CE2-CG1 4.24Å; Y1533-V1548 HydrophobicContact CE2-CG2 4.18Å; Y1533-V1548 HydrophobicContact CG-CB 4.25Å; Y1533-V1548 HydrophobicContact CG-CG1 3.85Å; Y1533-V1548 HydrophobicContact CG-CG2 3.93Å; Y1533-Q1549 PolarHBondContact OH-O 2.82Å; Y1533-V1550 HydrophobicContact CD2-CG2 4.32Å; Y1533-V1550 HydrophobicContact CE2-CB 4.4Å; Y1533-V1550 HydrophobicContact CE2-CG1 4.17Å; Y1533-V1550 HydrophobicContact CE2-CG2 3.96Å; Y1533-R1551 PolarHBondContact OH-N 3.14Å; Y1533-T1618 HydrophobicContact CD2-CG2 4.46Å; Y1533-T1618 HydrophobicContact CE2-CG2 4.17Å; Y1533-H1619 VanDerWaalsContact CD2-O 3.27Å; Y1533-H1619 WeakPolarHBondContact CD2-O 3.32Å; Y1533-H1619 PolarHBondContact N-O 3.2Å; Y1533-V1620 HydrophobicContact CD2-CG2 3.95Å; Y1533-V1620 HydrophobicContact CE2-CG2 4.49Å; Y1533-V1620 HydrophobicContact CG-CG2 4.47Å; Y1533-V1620 CarbonylContact O-C 3.49Å; Y1533-V1620 WeakPolarHBondContact O-CA 3.28Å; Y1533-Y1621 PolarHBondContact O-N 3.04Å
1534N87.2Confident83.9Confident132.6 Ų132.661.3 Ų61.371%0.70937%0.372SS*.EExtended strand (participates in β ladder)trans-120.6127.7175.5-73.1-9.4000110.9Y1621N1534-Y1621 CarbonylContact C-O 3.53Å; N1534-Y1621 WeakPolarHBondContact OD1-CB 3.41Å; N1534-Y1621 VanDerWaalsContact OD1-CD2 3.24Å; N1534-Y1621 WeakPolarHBondContact OD1-CD2 3.31Å
1535V88.7Confident83.7Confident44 Ų4460.8 Ų60.827%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-143.9158.7-178-117.70000112.6V1537 V1547 V1548 V1620 Y1621 V1622 T1623V1535-V1537 HydrophobicContact CG1-CG2 4.22Å; V1535-V1547 HydrophobicContact CB-CG1 4.34Å; V1535-V1547 HydrophobicContact CG1-CG1 4.14Å; V1535-V1547 WeakPolarHBondContact CG1-O 3.08Å; V1535-V1547 HydrophobicContact CG2-CG1 3.84Å; V1535-V1548 HydrophobicContact CG1-CB 4.11Å; V1535-V1548 HydrophobicContact CG1-CG2 4.12Å; V1535-V1548 HydrophobicContact CG2-CB 4.08Å; V1535-V1548 HydrophobicContact CG2-CG1 4.38Å; V1535-V1548 HydrophobicContact CG2-CG2 4.08Å; V1535-V1620 HydrophobicContact CG2-CG1 3.96Å; V1535-Y1621 WeakPolarHBondContact CG2-O 3.5Å; V1535-Y1621 PolarHBondContact N-O 2.91Å; V1535-V1622 HydrophobicContact CG2-CB 3.92Å; V1535-V1622 HydrophobicContact CG2-CG1 3.55Å; V1535-V1622 HydrophobicContact CG2-CG2 3.93Å; V1535-V1622 WeakPolarHBondContact O-CA 3.19Å; V1535-T1623 PolarHBondContact O-N 3.01Å; V1535-T1623 PolarHBondContact O-OG1 2.81Å
1536S86.7Confident83.5Confident84.8 Ų84.863.9 Ų63.959%0.59339%0.39SS*.EExtended strand (participates in β ladder)trans-128.3139.617458.70000111T1623S1536-T1623 CarbonylContact C-O 3.42Å; S1536-T1623 VanDerWaalsContact CA-O 3.29Å; S1536-T1623 WeakPolarHBondContact CA-O 3.33Å; S1536-T1623 WeakPolarHBondContact CA-OG1 3.2Å; S1536-T1623 VanDerWaalsContact CB-OG1 3.31Å; S1536-T1623 WeakPolarHBondContact CB-OG1 3.3Å
1537V87.7Confident83.4Confident15 Ų1560.6 Ų60.69%0.09137%0.37CS..EExtended strand (participates in β ladder)trans-135.3135.4-177.1-175.60000108.8V1535 V1541 V1547 T1587 P1592 V1622 T1623 I1624 V1625V1535-V1537 HydrophobicContact CG1-CG2 4.22Å; V1537-V1541 HydrophobicContact CG1-CG1 4.4Å; V1537-V1541 HydrophobicContact CG1-CG2 3.63Å; V1537-V1541 VanDerWaalsContact CG1-CG2 3.45Å; V1537-V1547 HydrophobicContact CG2-CB 4.31Å; V1537-V1547 HydrophobicContact CG2-CG1 3.73Å; V1537-V1547 HydrophobicContact CG2-CG2 3.95Å; V1537-T1587 HydrophobicContact CG1-CG2 4.42Å; V1537-P1592 HydrophobicContact CB-CG 4.13Å; V1537-P1592 HydrophobicContact CG1-CG 4.26Å; V1537-V1622 HydrophobicContact CB-CG1 4.29Å; V1537-V1622 HydrophobicContact CG2-CG1 3.87Å; V1537-T1623 PolarHBondContact N-O 2.93Å; V1537-I1624 HydrophobicContact CB-CD1 4.2Å; V1537-I1624 CarbonylContact O-C 3.55Å; V1537-I1624 VanDerWaalsContact O-CA 3.26Å; V1537-I1624 WeakPolarHBondContact O-CA 3.37Å; V1537-V1625 PolarHBondContact O-N 3.03Å
1538N84.4Confident83.5Confident75.4 Ų75.460.8 Ų60.840%0.40337%0.372SS..EExtended strand (participates in β ladder)trans-68.5151.8172.1-70.427.5000110.1V1541 P1592 E1627N1538-V1541 HydrophobicContact CB-CG1 3.94Å; N1538-V1541 VanDerWaalsContact O-CG1 3.27Å; N1538-V1541 WeakPolarHBondContact O-CG1 3.36Å; N1538-V1541 WeakPolarHBondContact O-CG2 3.41Å; N1538-P1592 WeakPolarHBondContact O-CG 3.09Å; N1538-E1627 HydrophobicContact CB-CG 4.02Å; N1538-E1627 WeakPolarHBondContact CB-OE1 3.3Å; N1538-E1627 PolarHBondContact ND2-OE1 2.98Å
1539E85.2Confident83.8Confident5.2 Ų5.258.5 Ų58.52%0.02436%0.361CS..THydrogen-bonded Turntrans-67.8171.2165.270.9-167.4136.100112.3V1541 P1592 R1594 E1595 I1624 V1625 D1626 E1627E1539-V1541 PolarHBondContact O-N 2.86Å; E1539-P1592 CarbonylContact C-O 3.51Å; E1539-P1592 VanDerWaalsContact CA-O 3.32Å; E1539-P1592 WeakPolarHBondContact CA-O 3.31Å; E1539-P1592 VanDerWaalsContact CB-O 3.29Å; E1539-P1592 WeakPolarHBondContact CB-O 3.42Å; E1539-R1594 HydrophobicContact CB-CB 4.4Å; E1539-R1594 VanDerWaalsContact CD-CB 3.47Å; E1539-R1594 WeakPolarHBondContact OE1-CB 3.44Å; E1539-R1594 IonicContact OE1-NE 3.35Å; E1539-R1594 WeakPolarHBondContact OE2-CA 3.28Å; E1539-R1594 WeakPolarHBondContact OE2-CB 3.35Å; E1539-R1594 PolarHBondContact OE2-N 3.21Å; E1539-E1595 VanDerWaalsContact OE2-OE2 3.09Å; E1539-I1624 HydrophobicContact CB-CG2 3.77Å; E1539-V1625 VanDerWaalsContact CB-O 3.28Å; E1539-V1625 WeakPolarHBondContact CB-O 3.29Å; E1539-V1625 WeakPolarHBondContact CG-O 3.17Å; E1539-V1625 PolarHBondContact N-O 3.1Å; E1539-V1625 VanDerWaalsContact N-O 3.11Å; E1539-V1625 VanDerWaalsContact OE2-O 3.08Å; E1539-D1626 VanDerWaalsContact OE1-CA 3.27Å; E1539-D1626 WeakPolarHBondContact OE1-CA 3.33Å; E1539-E1627 HydrophobicContact CG-CB 3.92Å; E1539-E1627 HydrophobicContact CG-CG 4.1Å; E1539-E1627 PolarHBondContact OE1-N 2.89Å
1540N81.7Confident83.9Confident80.2 Ų80.256.4 Ų56.443%0.42935%0.346SS..THydrogen-bonded Turntrans59.27.6179.6-72-53.7000115.8G1542 P1591 P1592 D1629N1540-G1542 PolarHBondContact O-N 3.27Å; N1540-P1591 VanDerWaalsContact C-CB 3.44Å; N1540-P1591 VanDerWaalsContact CA-CB 3.45Å; N1540-P1592 PolarHBondContact N-O 3.11Å; N1540-D1629 VanDerWaalsContact ND2-CB 3.34Å; N1540-D1629 WeakPolarHBondContact ND2-CB 3.46Å; N1540-D1629 PolarHBondContact ND2-OD2 3.06Å
1541V79.8Confident84.4Confident34.4 Ų34.458.2 Ų58.221%0.20834%0.343CS..PPolyproline II helixtrans-69.3133.5176.5-64.10000112.4V1537 N1538 E1539 T1545 T1587 P1591 P1592V1537-V1541 HydrophobicContact CG1-CG1 4.4Å; V1537-V1541 HydrophobicContact CG1-CG2 3.63Å; V1537-V1541 VanDerWaalsContact CG1-CG2 3.45Å; N1538-V1541 HydrophobicContact CB-CG1 3.94Å; N1538-V1541 VanDerWaalsContact O-CG1 3.27Å; N1538-V1541 WeakPolarHBondContact O-CG1 3.36Å; N1538-V1541 WeakPolarHBondContact O-CG2 3.41Å; E1539-V1541 PolarHBondContact O-N 2.86Å; V1541-T1545 HydrophobicContact CB-CG2 4.18Å; V1541-T1545 HydrophobicContact CG1-CG2 4.43Å; V1541-T1545 HydrophobicContact CG2-CG2 4.31Å; V1541-T1587 HydrophobicContact CG2-CG2 3.85Å; V1541-P1591 WeakPolarHBondContact O-CA 3.34Å; V1541-P1591 VanDerWaalsContact O-CB 3.32Å; V1541-P1591 WeakPolarHBondContact O-CB 3.32Å; V1541-P1592 HydrophobicContact CG2-CG 4.01Å
1542G75.7Confident84.8Confident51.8 Ų51.849.4 Ų49.453%0.53431%0.307SS..PPolyproline II helixtrans-58145.6-177.800000113.6N1540 G1544 T1545 T1587N1540-G1542 PolarHBondContact O-N 3.27Å; G1542-G1544 PolarHBondContact O-N 3.26Å; G1542-T1545 WeakPolarHBondContact O-CB 3.25Å; G1542-T1545 PolarHBondContact O-N 2.79Å; G1542-T1545 VanDerWaalsContact O-N 3.16Å; G1542-T1545 PolarHBondContact O-OG1 3.02Å; G1542-T1587 PolarHBondContact O-OG1 3.21Å; G1542-T1587 VanDerWaalsContact O-OG1 3.07Å
1543G77.3Confident85Confident40.6 Ų40.652.6 Ų52.642%0.41932%0.322SS..THydrogen-bonded Turntrans-66.4137.1-177.200000114.2T1545 T1587 R1588G1543-T1545 VanDerWaalsContact C-N 3.29Å; G1543-T1587 WeakPolarHBondContact CA-OG1 3.38Å; G1543-R1588 VanDerWaalsContact CA-C 3.49Å; G1543-R1588 WeakPolarHBondContact CA-O 3.35Å
1544G79.2Confident85.1Confident37.2 Ų37.252.3 Ų52.338%0.38432%0.323SS..THydrogen-bonded Turntrans95.17-169.600000114G1542 S1546 R1577 T1587G1542-G1544 PolarHBondContact O-N 3.26Å; G1544-S1546 PolarHBondContact O-N 3.28Å; G1544-R1577 VanDerWaalsContact CA-NH1 3.33Å; G1544-R1577 VanDerWaalsContact N-NH1 3.15Å; G1544-T1587 PolarHBondContact N-O 3.2Å; G1544-T1587 VanDerWaalsContact N-O 3.16Å; G1544-T1587 PolarHBondContact N-OG1 3.01Å; G1544-T1587 VanDerWaalsContact N-OG1 3.11Å
1545T81.6Confident85Confident57.8 Ų57.854.6 Ų54.636%0.35532%0.322SS..  trans-66.4120.5168.8-60.50000109.2V1541 G1542 G1543 V1547 A1586 T1587V1541-T1545 HydrophobicContact CB-CG2 4.18Å; V1541-T1545 HydrophobicContact CG1-CG2 4.43Å; V1541-T1545 HydrophobicContact CG2-CG2 4.31Å; G1542-T1545 WeakPolarHBondContact O-CB 3.25Å; G1542-T1545 PolarHBondContact O-N 2.79Å; G1542-T1545 VanDerWaalsContact O-N 3.16Å; G1542-T1545 PolarHBondContact O-OG1 3.02Å; G1543-T1545 VanDerWaalsContact C-N 3.29Å; T1545-V1547 PolarHBondContact O-N 3.04Å; T1545-A1586 CarbonylContact O-C 3.5Å; T1545-A1586 VanDerWaalsContact O-CA 3.23Å; T1545-A1586 WeakPolarHBondContact O-CA 3.39Å; T1545-A1586 WeakPolarHBondContact O-CB 3.24Å; T1545-T1587 VanDerWaalsContact CA-OG1 3.28Å; T1545-T1587 WeakPolarHBondContact CA-OG1 3.4Å; T1545-T1587 VanDerWaalsContact CB-OG1 3.22Å; T1545-T1587 WeakPolarHBondContact CB-OG1 3.4Å; T1545-T1587 PolarHBondContact N-OG1 3.04Å; T1545-T1587 VanDerWaalsContact N-OG1 3.11Å; T1545-T1587 WeakPolarHBondContact O-CB 3.49Å; T1545-T1587 PolarHBondContact O-N 2.99Å; T1545-T1587 PolarHBondContact O-OG1 3.07Å
1546S85.6Confident85.1Confident72.6 Ų72.652.9 Ų52.951%0.50831%0.312SS..EExtended strand (participates in β ladder)trans-65.8135.1179.6-175.30000111.6G1544 E1584G1544-S1546 PolarHBondContact O-N 3.28Å; S1546-E1584 WeakPolarHBondContact CB-OE1 3.33Å; S1546-E1584 PolarHBondContact OG-OE1 2.99Å
1547V86.6Confident84.8Confident18.2 Ų18.253.4 Ų53.411%0.1131%0.307CS..EExtended strand (participates in β ladder)trans-110.1-59.5-179.4-179.70000111.6V1535 V1537 T1545 F1576 I1585 T1587 V1622V1535-V1547 HydrophobicContact CB-CG1 4.34Å; V1535-V1547 HydrophobicContact CG1-CG1 4.14Å; V1535-V1547 WeakPolarHBondContact CG1-O 3.08Å; V1535-V1547 HydrophobicContact CG2-CG1 3.84Å; V1537-V1547 HydrophobicContact CG2-CB 4.31Å; V1537-V1547 HydrophobicContact CG2-CG1 3.73Å; V1537-V1547 HydrophobicContact CG2-CG2 3.95Å; T1545-V1547 PolarHBondContact O-N 3.04Å; V1547-F1576 HydrophobicContact CB-CD1 4.23Å; V1547-F1576 HydrophobicContact CG1-CD1 4.26Å; V1547-F1576 HydrophobicContact CG2-CD1 3.95Å; V1547-F1576 HydrophobicContact CG2-CE1 3.89Å; V1547-I1585 CarbonylContact C-O 3.6Å; V1547-I1585 VanDerWaalsContact C-O 3.24Å; V1547-I1585 WeakPolarHBondContact CA-O 3.43Å; V1547-I1585 HydrophobicContact CB-CB 4.45Å; V1547-I1585 HydrophobicContact CB-CG2 4.21Å; V1547-I1585 VanDerWaalsContact CB-O 3.32Å; V1547-I1585 WeakPolarHBondContact CB-O 3.39Å; V1547-I1585 HydrophobicContact CG1-CG2 3.74Å; V1547-I1585 PolarHBondContact N-O 3.15Å; V1547-T1587 HydrophobicContact CG2-CG2 4.16Å; V1547-V1622 HydrophobicContact CG1-CG1 4.2Å; V1547-V1622 HydrophobicContact CG1-CG2 4.14Å
1548V89.2Confident84.5Confident23.6 Ų23.655.1 Ų55.114%0.14333%0.327CS..EExtended strand (participates in β ladder)trans-161162.6177.973.90000112.4Y1533 V1535 E1584 I1585 V1620Y1533-V1548 HydrophobicContact CD1-CB 4.37Å; Y1533-V1548 HydrophobicContact CD1-CG1 4.42Å; Y1533-V1548 HydrophobicContact CD1-CG2 3.51Å; Y1533-V1548 HydrophobicContact CD2-CG1 3.79Å; Y1533-V1548 HydrophobicContact CD2-CG2 4.05Å; Y1533-V1548 HydrophobicContact CE1-CG2 4.06Å; Y1533-V1548 VanDerWaalsContact CE1-CG2 3.41Å; Y1533-V1548 HydrophobicContact CE2-CG1 4.24Å; Y1533-V1548 HydrophobicContact CE2-CG2 4.18Å; Y1533-V1548 HydrophobicContact CG-CB 4.25Å; Y1533-V1548 HydrophobicContact CG-CG1 3.85Å; Y1533-V1548 HydrophobicContact CG-CG2 3.93Å; V1535-V1548 HydrophobicContact CG1-CB 4.11Å; V1535-V1548 HydrophobicContact CG1-CG2 4.12Å; V1535-V1548 HydrophobicContact CG2-CB 4.08Å; V1535-V1548 HydrophobicContact CG2-CG1 4.38Å; V1535-V1548 HydrophobicContact CG2-CG2 4.08Å; V1548-E1584 CarbonylContact O-C 3.59Å; V1548-I1585 HydrophobicContact CG1-CB 4.12Å; V1548-I1585 HydrophobicContact CG1-CD1 3.85Å; V1548-I1585 HydrophobicContact CG1-CG1 4.23Å; V1548-I1585 HydrophobicContact CG1-CG2 4.47Å; V1548-I1585 PolarHBondContact N-O 3.1Å; V1548-I1585 PolarHBondContact O-N 2.98Å; V1548-V1620 HydrophobicContact CG1-CG1 3.79Å; V1548-V1620 HydrophobicContact CG1-CG2 4.21Å
1549Q89.8Confident84.3Confident72 Ų7256.3 Ų56.334%0.33633%0.332SS..EExtended strand (participates in β ladder)trans-120.4128.1172.5-168.8178.934.300112.6Y1533 R1551 S1582 G1583 E1584Y1533-Q1549 PolarHBondContact OH-O 2.82Å; Q1549-R1551 HydrophobicContact CG-CG 4.35Å; Q1549-R1551 VanDerWaalsContact NE2-NH2 3.16Å; Q1549-R1551 VanDerWaalsContact OE1-CZ 3.29Å; Q1549-S1582 VanDerWaalsContact CG-O 3.25Å; Q1549-S1582 WeakPolarHBondContact CG-O 3.38Å; Q1549-S1582 PolarHBondContact NE2-O 2.88Å; Q1549-G1583 VanDerWaalsContact CA-O 3.24Å; Q1549-G1583 WeakPolarHBondContact CA-O 3.45Å; Q1549-E1584 HydrophobicContact CG-CB 4.43Å
1550V88Confident84.2Confident0.6 Ų0.656.7 Ų56.70%0.00434%0.335CS..  trans-98.8139.7171.8-174.80000110.8I1527 Y1533 Y1565 M1578 G1583 I1585 V1604 V1606 T1618 V1620I1527-V1550 HydrophobicContact CG2-CG1 4.19Å; Y1533-V1550 HydrophobicContact CD2-CG2 4.32Å; Y1533-V1550 HydrophobicContact CE2-CB 4.4Å; Y1533-V1550 HydrophobicContact CE2-CG1 4.17Å; Y1533-V1550 HydrophobicContact CE2-CG2 3.96Å; V1550-Y1565 HydrophobicContact CB-CD1 4.38Å; V1550-Y1565 HydrophobicContact CB-CE1 4.45Å; V1550-Y1565 HydrophobicContact CG1-CD1 4.35Å; V1550-Y1565 HydrophobicContact CG1-CE1 4.28Å; V1550-Y1565 VanDerWaalsContact O-CE1 3.3Å; V1550-Y1565 WeakPolarHBondContact O-CE1 3.36Å; V1550-M1578 HydrophobicContact CB-CE 3.95Å; V1550-M1578 HydrophobicContact CG2-CE 4.09Å; V1550-G1583 PolarHBondContact N-O 3.09Å; V1550-G1583 WeakPolarHBondContact O-CA 3.45Å; V1550-I1585 HydrophobicContact CG2-CD1 4.47Å; V1550-V1604 HydrophobicContact CB-CG1 4.28Å; V1550-V1604 HydrophobicContact CG1-CG1 4.14Å; V1550-V1604 HydrophobicContact CG2-CG1 4.14Å; V1550-V1604 HydrophobicContact CG2-CG2 4.38Å; V1550-V1606 HydrophobicContact CG1-CG2 4.37Å; V1550-T1618 HydrophobicContact CG1-CG2 3.94Å; V1550-T1618 HydrophobicContact CG2-CG2 3.77Å; V1550-V1620 HydrophobicContact CG2-CG2 4.26Å
1551R88.4Confident84.3Confident115.8 Ų115.854.8 Ų54.844%0.43733%0.328SS..  trans-132.9143.1-176.5-64.6-178.7178-172-2113.9I1527 E1528 Y1533 Q1549 Y1565 S1582I1527-R1551 CarbonylContact C-O 3.5Å; I1527-R1551 VanDerWaalsContact CA-O 3.23Å; I1527-R1551 WeakPolarHBondContact CA-O 3.34Å; I1527-R1551 WeakPolarHBondContact CG2-O 3.32Å; E1528-R1551 HydrophobicContact CB-CB 4.36Å; E1528-R1551 VanDerWaalsContact CD-CB 3.49Å; E1528-R1551 HydrophobicContact CG-CB 3.95Å; E1528-R1551 PolarHBondContact N-O 3.08Å; E1528-R1551 WeakPolarHBondContact OE2-CB 3.42Å; E1528-R1551 VanDerWaalsContact OE2-CD 3.28Å; E1528-R1551 WeakPolarHBondContact OE2-CD 3.22Å; E1528-R1551 IonicContact OE2-CZ 3.94Å; E1528-R1551 IonicContact OE2-NH1 3.66Å; E1528-R1551 PolarHBondContact OE2-NH1 2.81Å; Y1533-R1551 PolarHBondContact OH-N 3.14Å; Q1549-R1551 HydrophobicContact CG-CG 4.35Å; Q1549-R1551 VanDerWaalsContact NE2-NH2 3.16Å; Q1549-R1551 VanDerWaalsContact OE1-CZ 3.29Å; R1551-Y1565 HydrophobicContact CB-CE1 3.84Å; R1551-Y1565 HydrophobicContact CG-CE1 4.13Å; R1551-S1582 PolarHBondContact NE-O 2.85Å
1552A87.9Confident84.6Confident13.6 Ų13.656.7 Ų56.711%0.11234%0.339CS..EExtended strand (participates in β ladder)trans-150017700000113.9V1526 I1527 L1563 Y1565 V1606V1526-A1552 CarbonylContact O-C 3.51Å; V1526-A1552 WeakPolarHBondContact O-CA 3.29Å; V1526-A1552 WeakPolarHBondContact O-CB 3.36Å; I1527-A1552 HydrophobicContact CB-CB 4.44Å; I1527-A1552 HydrophobicContact CG1-CB 4.04Å; A1552-L1563 VanDerWaalsContact C-CD1 3.49Å; A1552-L1563 HydrophobicContact CB-CD1 3.83Å; A1552-L1563 WeakPolarHBondContact O-CD1 3.38Å; A1552-Y1565 HydrophobicContact CB-CD2 4.03Å; A1552-Y1565 HydrophobicContact CB-CE1 4.24Å; A1552-Y1565 HydrophobicContact CB-CE2 3.64Å; A1552-Y1565 PolarHBondContact N-OH 3.1Å; A1552-Y1565 VanDerWaalsContact N-OH 3.13Å; A1552-Y1565 VanDerWaalsContact O-CE2 3.27Å; A1552-Y1565 WeakPolarHBondContact O-CE2 3.33Å; A1552-Y1565 PolarHBondContact O-OH 2.91Å; A1552-V1606 HydrophobicContact CB-CB 4.22Å; A1552-V1606 HydrophobicContact CB-CG1 3.88Å; A1552-V1606 HydrophobicContact CB-CG2 4.09Å
1553T86.9Confident85.2Confident89.8 Ų89.855.7 Ų55.755%0.55132%0.321SS*.EExtended strand (participates in β ladder)00056.50000112.8V1526V1526-T1553 WeakPolarHBondContact CB-O 3.47Å; V1526-T1553 PolarHBondContact N-O 2.98Å; V1526-T1553 PolarHBondContact O-N 2.85Å
1554D88.8Confident85.6Confident32.8 Ų32.853.9 Ų53.918%0.17530%0.303CS..  000-146.2-77.7000114N1523 P1524 P1525 D1556 S1561 L1563N1523-D1554 VanDerWaalsContact O-OD1 3.13Å; P1524-D1554 WeakPolarHBondContact CA-OD2 3.44Å; P1525-D1554 VanDerWaalsContact CA-OD2 3.29Å; P1525-D1554 WeakPolarHBondContact CA-OD2 3.31Å; P1525-D1554 WeakPolarHBondContact CD-OD2 3.39Å; P1525-D1554 WeakPolarHBondContact CG-OD2 3.31Å; P1525-D1554 VanDerWaalsContact N-OD2 3.13Å; D1554-D1556 PolarHBondContact OD1-N 3.22Å; D1554-S1561 VanDerWaalsContact OD1-CA 3.24Å; D1554-S1561 WeakPolarHBondContact OD1-CA 3.41Å; D1554-L1563 HydrophobicContact CB-CB 3.66Å; D1554-L1563 HydrophobicContact CB-CD2 4.04Å; D1554-L1563 HydrophobicContact CB-CG 4.17Å
1555R86.6Confident86.2Confident181.4 Ų181.453.2 Ų53.269%0.68529%0.288SS*.  0-28.60-80.6-169.3173.8154.32.4118R1487 E1488 N1523R1487-R1555 PolarHBondContact NH2-O 3.11Å; E1488-R1555 HydrophobicContact CG-CB 3.99Å; N1523-R1555 HydrophobicContact CB-CB 3.83Å; N1523-R1555 HydrophobicContact CB-CG 4.5Å; N1523-R1555 WeakPolarHBondContact OD1-CD 3.28Å
1556D89Confident86.4Confident8 Ų853.6 Ų53.64%0.04328%0.284CS..SBendtrans-71.3-173-174-62.4-8.4000112E1488 D1519 N1521 D1522 N1523 D1554 N1560 S1561E1488-D1556 WeakPolarHBondContact OE1-CB 3.13Å; D1519-D1556 WeakPolarHBondContact OD1-CA 3.39Å; N1521-D1556 VanDerWaalsContact CA-OD2 3.27Å; N1521-D1556 WeakPolarHBondContact CA-OD2 3.3Å; N1521-D1556 PolarHBondContact OD1-OD2 2.9Å; D1522-D1556 PolarHBondContact N-OD2 3.08Å; N1523-D1556 VanDerWaalsContact CB-OD1 3.27Å; N1523-D1556 WeakPolarHBondContact CB-OD1 3.38Å; N1523-D1556 PolarHBondContact N-OD1 2.99Å; N1523-D1556 PolarHBondContact N-OD2 2.82Å; N1523-D1556 VanDerWaalsContact N-OD2 3.1Å; N1523-D1556 PolarHBondContact ND2-OD1 2.91Å; D1554-D1556 PolarHBondContact OD1-N 3.22Å; D1556-N1560 HydrophobicContact CB-CB 3.51Å; D1556-N1560 WeakPolarHBondContact CB-O 3.5Å; D1556-S1561 VanDerWaalsContact C-OG 3.3Å; D1556-S1561 VanDerWaalsContact O-CB 3.25Å; D1556-S1561 WeakPolarHBondContact O-CB 3.44Å; D1556-S1561 PolarHBondContact O-OG 3.27Å
1557I81.1Confident86.6Confident96.2 Ų96.251.9 Ų51.949%0.49327%0.269SS..  trans-121151.1178.3125.1168.1000115R1487 E1488 D1519 I1559 N1560R1487-I1557 VanDerWaalsContact NH1-CG1 3.31Å; E1488-I1557 HydrophobicContact CB-CG2 4.06Å; E1488-I1557 HydrophobicContact CG-CG2 3.52Å; E1488-I1557 WeakPolarHBondContact OE1-CG2 3.48Å; E1488-I1557 PolarHBondContact OE1-N 3.11Å; D1519-I1557 HydrophobicContact CB-CD1 4.12Å; D1519-I1557 HydrophobicContact CB-CG1 3.46Å; D1519-I1557 VanDerWaalsContact CB-CG1 3.46Å; D1519-I1557 HydrophobicContact CB-CG2 3.83Å; D1519-I1557 VanDerWaalsContact CG-CG1 3.47Å; D1519-I1557 VanDerWaalsContact CG-CG2 3.43Å; D1519-I1557 VanDerWaalsContact CG-N 3.29Å; D1519-I1557 WeakPolarHBondContact OD1-CB 3.36Å; D1519-I1557 WeakPolarHBondContact OD1-CG1 3.32Å; D1519-I1557 WeakPolarHBondContact OD1-CG2 3.26Å; D1519-I1557 PolarHBondContact OD1-N 2.84Å; D1519-I1557 VanDerWaalsContact OD1-N 3.12Å; D1519-I1557 PolarHBondContact OD2-N 3.15Å; D1519-I1557 VanDerWaalsContact OD2-N 3.12Å; D1519-I1557 VanDerWaalsContact OD2-O 3.08Å; I1557-I1559 PolarHBondContact O-N 2.92Å; I1557-N1560 WeakPolarHBondContact O-CB 3.32Å; I1557-N1560 PolarHBondContact O-N 3.07Å; I1557-N1560 VanDerWaalsContact O-N 3.1Å
1558G80.9Confident86.6Confident49.4 Ų49.454.5 Ų54.551%0.50929%0.285SS..G310 helixtrans71.8-127.2176.100000110N1560 S1561 V1562G1558-N1560 VanDerWaalsContact C-N 3.29Å; G1558-N1560 PolarHBondContact O-N 3.04Å; G1558-S1561 PolarHBondContact N-OG 3.06Å; G1558-S1561 PolarHBondContact O-N 3Å; G1558-S1561 PolarHBondContact O-OG 2.84Å; G1558-V1562 VanDerWaalsContact O-CG2 3.26Å; G1558-V1562 WeakPolarHBondContact O-CG2 3.39Å; G1558-V1562 PolarHBondContact O-N 2.94Å; G1558-V1562 VanDerWaalsContact O-N 3.15Å
1559I81.2Confident86.5Confident101.6 Ų101.659.3 Ų59.352%0.52131%0.306SS..G310 helixtrans-68.2-28.2-177.2100.9171.7000112.5I1557 S1561 V1562 E1609 G1610 T1611I1557-I1559 PolarHBondContact O-N 2.92Å; I1559-S1561 VanDerWaalsContact C-N 3.28Å; I1559-S1561 PolarHBondContact O-N 3.1Å; I1559-S1561 VanDerWaalsContact O-N 3.16Å; I1559-V1562 PolarHBondContact O-N 3.07Å; I1559-V1562 VanDerWaalsContact O-N 3.12Å; I1559-E1609 HydrophobicContact CB-CB 4.28Å; I1559-E1609 WeakPolarHBondContact CB-O 3.27Å; I1559-E1609 HydrophobicContact CD1-CB 4.21Å; I1559-E1609 HydrophobicContact CG1-CB 3.49Å; I1559-E1609 VanDerWaalsContact CG1-CB 3.49Å; I1559-E1609 WeakPolarHBondContact CG1-O 3.37Å; I1559-E1609 CarbonylContact O-C 3.47Å; I1559-E1609 WeakPolarHBondContact O-CA 3.23Å; I1559-E1609 WeakPolarHBondContact O-CB 3.38Å; I1559-E1609 PolarHBondContact O-N 2.9Å; I1559-E1609 VanDerWaalsContact O-N 3.09Å; I1559-G1610 WeakPolarHBondContact O-CA 3.24Å; I1559-G1610 PolarHBondContact O-N 3.31Å; I1559-T1611 HydrophobicContact CD1-CG2 4.01Å
1560N83.5Confident86.2Confident13.2 Ų13.256.6 Ų56.67%0.07130%0.297CS..G310 helixtrans-66.9-18.7-179.5-64.4-11.7000113.2D1519 V1520 N1521 D1556 I1557 G1558 D1608 G1610 T1611D1519-N1560 VanDerWaalsContact CG-ND2 3.28Å; D1519-N1560 PolarHBondContact OD1-ND2 3.05Å; D1519-N1560 VanDerWaalsContact OD2-CB 3.3Å; D1519-N1560 WeakPolarHBondContact OD2-CB 3.32Å; D1519-N1560 PolarHBondContact OD2-ND2 3.12Å; V1520-N1560 PolarHBondContact O-ND2 2.82Å; N1521-N1560 HydrophobicContact CB-CB 4.2Å; N1521-N1560 VanDerWaalsContact CB-CG 3.48Å; N1521-N1560 WeakPolarHBondContact CB-OD1 3.46Å; N1521-N1560 PolarHBondContact N-ND2 2.93Å; N1521-N1560 VanDerWaalsContact OD1-CA 3.27Å; N1521-N1560 WeakPolarHBondContact OD1-CA 3.36Å; N1521-N1560 VanDerWaalsContact OD1-CB 3.25Å; N1521-N1560 WeakPolarHBondContact OD1-CB 3.39Å; N1521-N1560 VanDerWaalsContact OD1-CG 3.27Å; N1521-N1560 PolarHBondContact OD1-O 2.83Å; N1521-N1560 VanDerWaalsContact OD1-O 3.1Å; N1521-N1560 PolarHBondContact OD1-OD1 2.75Å; D1556-N1560 HydrophobicContact CB-CB 3.51Å; D1556-N1560 WeakPolarHBondContact CB-O 3.5Å; I1557-N1560 WeakPolarHBondContact O-CB 3.32Å; I1557-N1560 PolarHBondContact O-N 3.07Å; I1557-N1560 VanDerWaalsContact O-N 3.1Å; G1558-N1560 VanDerWaalsContact C-N 3.29Å; G1558-N1560 PolarHBondContact O-N 3.04Å; N1560-D1608 WeakPolarHBondContact O-CB 3.25Å; N1560-G1610 VanDerWaalsContact OD1-CA 3.27Å; N1560-G1610 WeakPolarHBondContact OD1-CA 3.38Å; N1560-T1611 PolarHBondContact OD1-N 3.07Å
1561S84Confident86.2Confident40.2 Ų40.257.8 Ų57.828%0.28130%0.303SS..G310 helixtrans-113.33.8179.663.90000116.8D1554 D1556 G1558 I1559 L1563D1554-S1561 VanDerWaalsContact OD1-CA 3.24Å; D1554-S1561 WeakPolarHBondContact OD1-CA 3.41Å; D1556-S1561 VanDerWaalsContact C-OG 3.3Å; D1556-S1561 VanDerWaalsContact O-CB 3.25Å; D1556-S1561 WeakPolarHBondContact O-CB 3.44Å; D1556-S1561 PolarHBondContact O-OG 3.27Å; G1558-S1561 PolarHBondContact N-OG 3.06Å; G1558-S1561 PolarHBondContact O-N 3Å; G1558-S1561 PolarHBondContact O-OG 2.84Å; I1559-S1561 VanDerWaalsContact C-N 3.28Å; I1559-S1561 PolarHBondContact O-N 3.1Å; I1559-S1561 VanDerWaalsContact O-N 3.16Å; S1561-L1563 PolarHBondContact O-N 3.04Å
1562V85.4Confident85.8Confident75.2 Ų75.259.5 Ų59.546%0.45632%0.316SS..  trans-87.8113.4-178.7172.90000109.6G1558 I1559 S1564 D1608 E1609G1558-V1562 VanDerWaalsContact O-CG2 3.26Å; G1558-V1562 WeakPolarHBondContact O-CG2 3.39Å; G1558-V1562 PolarHBondContact O-N 2.94Å; G1558-V1562 VanDerWaalsContact O-N 3.15Å; I1559-V1562 PolarHBondContact O-N 3.07Å; I1559-V1562 VanDerWaalsContact O-N 3.12Å; V1562-S1564 WeakPolarHBondContact O-CB 3.33Å; V1562-S1564 PolarHBondContact O-OG 2.95Å; V1562-D1608 CarbonylContact O-C 3.46Å; V1562-D1608 WeakPolarHBondContact O-CA 3.34Å; V1562-E1609 HydrophobicContact CB-CB 4.37Å; V1562-E1609 HydrophobicContact CB-CG 4.36Å; V1562-E1609 HydrophobicContact CG1-CG 3.95Å; V1562-E1609 WeakPolarHBondContact O-CG 3.36Å; V1562-E1609 PolarHBondContact O-N 2.87Å; V1562-E1609 VanDerWaalsContact O-N 3.12Å
1563L87.8Confident85.5Confident30 Ų3061.3 Ų61.316%0.15732%0.324CS..EExtended strand (participates in β ladder)trans-94.7135.1-172.7-73.1-162.9000113.3P1525 A1552 D1554 S1561 Y1565 V1606 E1607 D1608P1525-L1563 HydrophobicContact CB-CD1 4.48Å; P1525-L1563 HydrophobicContact CB-CD2 3.67Å; P1525-L1563 HydrophobicContact CG-CD2 3.52Å; P1525-L1563 VanDerWaalsContact CG-CD2 3.43Å; A1552-L1563 VanDerWaalsContact C-CD1 3.49Å; A1552-L1563 HydrophobicContact CB-CD1 3.83Å; A1552-L1563 WeakPolarHBondContact O-CD1 3.38Å; D1554-L1563 HydrophobicContact CB-CB 3.66Å; D1554-L1563 HydrophobicContact CB-CD2 4.04Å; D1554-L1563 HydrophobicContact CB-CG 4.17Å; S1561-L1563 PolarHBondContact O-N 3.04Å; L1563-Y1565 HydrophobicContact CB-CD2 4.47Å; L1563-Y1565 HydrophobicContact CB-CE2 4.02Å; L1563-Y1565 HydrophobicContact CD1-CD2 3.98Å; L1563-Y1565 HydrophobicContact CD1-CE2 3.6Å; L1563-V1606 HydrophobicContact CB-CG1 4.01Å; L1563-V1606 HydrophobicContact CD1-CG1 4.08Å; L1563-V1606 VanDerWaalsContact CD1-CG1 3.5Å; L1563-V1606 HydrophobicContact CD2-CG1 3.99Å; L1563-V1606 VanDerWaalsContact CD2-CG1 3.47Å; L1563-V1606 HydrophobicContact CG-CG1 4.28Å; L1563-E1607 CarbonylContact C-O 3.51Å; L1563-E1607 WeakPolarHBondContact CA-O 3.31Å; L1563-E1607 WeakPolarHBondContact CD2-O 3.4Å; L1563-D1608 HydrophobicContact CD2-CB 4.32Å
1564S85.7Confident85.3Confident3.6 Ų3.662.2 Ų62.23%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-124121.8-176.8-82.40000111.3V1562 Y1566 R1580 V1606 E1607 E1609V1562-S1564 WeakPolarHBondContact O-CB 3.33Å; V1562-S1564 PolarHBondContact O-OG 2.95Å; S1564-Y1566 VanDerWaalsContact CB-CE2 3.44Å; S1564-Y1566 VanDerWaalsContact CB-CZ 3.41Å; S1564-Y1566 WeakPolarHBondContact CB-OH 3.49Å; S1564-Y1566 WeakPolarHBondContact O-CD2 3.32Å; S1564-Y1566 WeakPolarHBondContact O-CE2 3.19Å; S1564-Y1566 PolarHBondContact OG-OH 2.74Å; S1564-Y1566 VanDerWaalsContact OG-OH 3.12Å; S1564-R1580 WeakPolarHBondContact CA-O 3.29Å; S1564-R1580 PolarHBondContact OG-NE 3.15Å; S1564-R1580 PolarHBondContact OG-NH1 2.86Å; S1564-R1580 PolarHBondContact OG-NH2 2.95Å; S1564-V1606 VanDerWaalsContact O-CA 3.29Å; S1564-V1606 WeakPolarHBondContact O-CA 3.34Å; S1564-E1607 PolarHBondContact N-O 2.87Å; S1564-E1607 PolarHBondContact O-N 2.89Å; S1564-E1607 VanDerWaalsContact O-N 3.09Å; S1564-E1609 VanDerWaalsContact CB-OE1 3.29Å; S1564-E1609 WeakPolarHBondContact CB-OE1 3.31Å; S1564-E1609 PolarHBondContact OG-OE1 2.96Å
1565Y91.1Very high85Confident21 Ų2161.2 Ų61.28%0.08232%0.318CS..EExtended strand (participates in β ladder)trans-103131.6-176.6-58.8-114.4000111.9V1550 R1551 A1552 L1563 M1578 R1580 I1581 G1583 V1606V1550-Y1565 HydrophobicContact CB-CD1 4.38Å; V1550-Y1565 HydrophobicContact CB-CE1 4.45Å; V1550-Y1565 HydrophobicContact CG1-CD1 4.35Å; V1550-Y1565 HydrophobicContact CG1-CE1 4.28Å; V1550-Y1565 VanDerWaalsContact O-CE1 3.3Å; V1550-Y1565 WeakPolarHBondContact O-CE1 3.36Å; R1551-Y1565 HydrophobicContact CB-CE1 3.84Å; R1551-Y1565 HydrophobicContact CG-CE1 4.13Å; A1552-Y1565 HydrophobicContact CB-CD2 4.03Å; A1552-Y1565 HydrophobicContact CB-CE1 4.24Å; A1552-Y1565 HydrophobicContact CB-CE2 3.64Å; A1552-Y1565 PolarHBondContact N-OH 3.1Å; A1552-Y1565 VanDerWaalsContact N-OH 3.13Å; A1552-Y1565 VanDerWaalsContact O-CE2 3.27Å; A1552-Y1565 WeakPolarHBondContact O-CE2 3.33Å; A1552-Y1565 PolarHBondContact O-OH 2.91Å; L1563-Y1565 HydrophobicContact CB-CD2 4.47Å; L1563-Y1565 HydrophobicContact CB-CE2 4.02Å; L1563-Y1565 HydrophobicContact CD1-CD2 3.98Å; L1563-Y1565 HydrophobicContact CD1-CE2 3.6Å; Y1565-M1578 HydrophobicContact CD1-CE 3.97Å; Y1565-M1578 HydrophobicContact CG-CE 4.26Å; Y1565-R1580 WeakPolarHBondContact CB-O 3.41Å; Y1565-R1580 WeakPolarHBondContact CD2-O 3.28Å; Y1565-R1580 VanDerWaalsContact CG-O 3.27Å; Y1565-R1580 PolarHBondContact N-O 2.96Å; Y1565-R1580 VanDerWaalsContact N-O 3.07Å; Y1565-R1580 WeakPolarHBondContact O-CA 3.25Å; Y1565-R1580 VanDerWaalsContact O-CG 3.26Å; Y1565-R1580 WeakPolarHBondContact O-CG 3.35Å; Y1565-I1581 VanDerWaalsContact CE1-C 3.5Å; Y1565-I1581 WeakPolarHBondContact CE1-O 3.49Å; Y1565-I1581 WeakPolarHBondContact CE2-O 3.45Å; Y1565-I1581 PolarHBondContact OH-O 3.35Å; Y1565-G1583 VanDerWaalsContact CG-CA 3.42Å; Y1565-V1606 HydrophobicContact CD1-CB 4.31Å; Y1565-V1606 HydrophobicContact CD1-CG1 3.98Å; Y1565-V1606 HydrophobicContact CD1-CG2 3.45Å; Y1565-V1606 VanDerWaalsContact CD1-CG2 3.45Å; Y1565-V1606 HydrophobicContact CD2-CB 4.41Å; Y1565-V1606 HydrophobicContact CD2-CG1 4.29Å; Y1565-V1606 HydrophobicContact CD2-CG2 3.55Å; Y1565-V1606 HydrophobicContact CE1-CB 4.38Å; Y1565-V1606 HydrophobicContact CE1-CG1 3.81Å; Y1565-V1606 HydrophobicContact CE1-CG2 3.6Å; Y1565-V1606 HydrophobicContact CE2-CG1 4.35Å; Y1565-V1606 HydrophobicContact CE2-CG2 4.42Å; Y1565-V1606 HydrophobicContact CG-CG1 4.31Å; Y1565-V1606 HydrophobicContact CG-CG2 4.19Å
1566Y87.7Confident85Confident67.4 Ų67.452.5 Ų52.526%0.26429%0.285SS..EExtended strand (participates in β ladder)trans-134.7144.2-178.5-53-80.4000111.9S1564 T1568 M1578 R1580 V1604 T1605 E1607S1564-Y1566 VanDerWaalsContact CB-CE2 3.44Å; S1564-Y1566 VanDerWaalsContact CB-CZ 3.41Å; S1564-Y1566 WeakPolarHBondContact CB-OH 3.49Å; S1564-Y1566 WeakPolarHBondContact O-CD2 3.32Å; S1564-Y1566 WeakPolarHBondContact O-CE2 3.19Å; S1564-Y1566 PolarHBondContact OG-OH 2.74Å; S1564-Y1566 VanDerWaalsContact OG-OH 3.12Å; Y1566-T1568 HydrophobicContact CD2-CG2 4.44Å; Y1566-M1578 VanDerWaalsContact CA-CE 3.49Å; Y1566-M1578 VanDerWaalsContact O-CE 3.31Å; Y1566-M1578 WeakPolarHBondContact O-CE 3.1Å; Y1566-R1580 HydrophobicContact CE1-CG 4.42Å; Y1566-R1580 VanDerWaalsContact OH-CZ 3.27Å; Y1566-R1580 PolarHBondContact OH-NE 3.07Å; Y1566-R1580 VanDerWaalsContact OH-NE 3.12Å; Y1566-R1580 PolarHBondContact OH-NH2 2.91Å; Y1566-V1604 CarbonylContact O-C 3.49Å; Y1566-V1604 VanDerWaalsContact O-CA 3.25Å; Y1566-V1604 WeakPolarHBondContact O-CA 3.33Å; Y1566-V1604 WeakPolarHBondContact O-CB 3.2Å; Y1566-V1604 VanDerWaalsContact O-CG1 3.24Å; Y1566-V1604 WeakPolarHBondContact O-CG1 3Å; Y1566-T1605 PolarHBondContact N-O 2.93Å; Y1566-T1605 PolarHBondContact O-N 2.87Å; Y1566-E1607 HydrophobicContact CD2-CG 4.19Å; Y1566-E1607 HydrophobicContact CE2-CB 4.31Å; Y1566-E1607 HydrophobicContact CE2-CG 3.86Å; Y1566-E1607 WeakPolarHBondContact CE2-OE1 3.32Å
1567I89.3Confident85Confident36.2 Ų36.257.2 Ų57.219%0.18630%0.302CS..EExtended strand (participates in β ladder)trans-86.6118.3155.7-62165.7000106.7E1569 N1571 F1576 M1578 I1585 L1602 V1603 V1604I1567-E1569 WeakPolarHBondContact CG2-O 3.31Å; I1567-N1571 HydrophobicContact CB-CB 4.25Å; I1567-N1571 HydrophobicContact CD1-CB 3.71Å; I1567-N1571 WeakPolarHBondContact CD1-ND2 3.21Å; I1567-N1571 HydrophobicContact CG2-CB 3.78Å; I1567-F1576 HydrophobicContact CD1-CB 4.3Å; I1567-M1578 HydrophobicContact CD1-CB 3.82Å; I1567-M1578 VanDerWaalsContact CD1-CB 3.49Å; I1567-M1578 HydrophobicContact CD1-CG 4.44Å; I1567-M1578 HydrophobicContact CD1-SD 4.25Å; I1567-M1578 HydrophobicContact CG1-CB 3.88Å; I1567-M1578 HydrophobicContact CG1-CE 4.1Å; I1567-M1578 HydrophobicContact CG1-CG 4.36Å; I1567-M1578 HydrophobicContact CG1-SD 3.9Å; I1567-I1585 HydrophobicContact CD1-CD1 4.29Å; I1567-I1585 HydrophobicContact CD1-CG1 4.39Å; I1567-I1585 HydrophobicContact CD1-CG2 4.35Å; I1567-I1585 HydrophobicContact CG1-CD1 4.43Å; I1567-L1602 HydrophobicContact CD1-CB 3.95Å; I1567-L1602 HydrophobicContact CD1-CD1 4.17Å; I1567-L1602 HydrophobicContact CD1-CG 4.48Å; I1567-L1602 HydrophobicContact CG1-CB 4.16Å; I1567-L1602 HydrophobicContact CG2-CB 4.05Å; I1567-L1602 HydrophobicContact CG2-CD2 4.38Å; I1567-V1603 CarbonylContact C-O 3.44Å; I1567-V1603 WeakPolarHBondContact CA-O 3.4Å; I1567-V1603 WeakPolarHBondContact CG2-O 3.42Å; I1567-V1604 HydrophobicContact CB-CG2 4.44Å; I1567-V1604 HydrophobicContact CG1-CG2 4.15Å
1568T85.4Confident85.3Confident72.6 Ų72.654.2 Ų54.245%0.44529%0.287SS..EExtended strand (participates in β ladder)trans-98.4-28.7-175.538.20000114.1Y1566 V1603 V1604 T1605Y1566-T1568 HydrophobicContact CD2-CG2 4.44Å; T1568-V1603 PolarHBondContact N-O 3.03Å; T1568-V1603 PolarHBondContact OG1-O 2.9Å; T1568-V1604 WeakPolarHBondContact OG1-CA 3.4Å; T1568-V1604 PolarHBondContact OG1-N 3.09Å; T1568-T1605 WeakPolarHBondContact CB-OG1 3.46Å; T1568-T1605 HydrophobicContact CG2-CG2 4.23Å; T1568-T1605 VanDerWaalsContact CG2-OG1 3.22Å; T1568-T1605 WeakPolarHBondContact CG2-OG1 3.43Å; T1568-T1605 WeakPolarHBondContact OG1-CB 3.22Å; T1568-T1605 PolarHBondContact OG1-N 2.86Å; T1568-T1605 VanDerWaalsContact OG1-N 3.1Å; T1568-T1605 PolarHBondContact OG1-OG1 2.82Å; T1568-T1605 VanDerWaalsContact OG1-OG1 3.1Å
1569E87.5Confident85.6Confident125.6 Ų125.655.3 Ų55.359%0.58728%0.281SS*.EExtended strand (participates in β ladder)trans-142.4158.4176.1-54.7-175.6159.300111I1567 N1571 H1601 L1602 V1603I1567-E1569 WeakPolarHBondContact CG2-O 3.31Å; E1569-N1571 PolarHBondContact O-N 3.14Å; E1569-H1601 CarbonylContact C-O 3.52Å; E1569-L1602 CarbonylContact O-C 3.58Å; E1569-L1602 WeakPolarHBondContact O-CA 3.34Å; E1569-V1603 HydrophobicContact CB-CB 3.9Å; E1569-V1603 HydrophobicContact CB-CG2 3.85Å; E1569-V1603 HydrophobicContact CG-CB 4.23Å; E1569-V1603 HydrophobicContact CG-CG1 4.36Å; E1569-V1603 HydrophobicContact CG-CG2 4.34Å; E1569-V1603 PolarHBondContact N-O 2.73Å; E1569-V1603 PolarHBondContact O-N 2.93Å; E1569-V1603 WeakPolarHBondContact OE2-CG2 3.28Å
1570G84.5Confident85.8Confident14 Ų1456 Ų5614%0.14428%0.277CS..SBendtrans85.68.4167.400000117.6E1572 Y1600 H1601 L1602G1570-E1572 VanDerWaalsContact C-OE2 3.23Å; G1570-E1572 VanDerWaalsContact CA-OE1 3.32Å; G1570-E1572 WeakPolarHBondContact CA-OE1 3.32Å; G1570-E1572 VanDerWaalsContact CA-OE2 3.24Å; G1570-E1572 WeakPolarHBondContact CA-OE2 3.35Å; G1570-E1572 PolarHBondContact N-OE1 2.89Å; G1570-Y1600 WeakPolarHBondContact O-CB 3.2Å; G1570-H1601 VanDerWaalsContact CA-O 3.25Å; G1570-H1601 WeakPolarHBondContact CA-O 3.43Å; G1570-H1601 PolarHBondContact O-N 2.85Å; G1570-H1601 VanDerWaalsContact O-N 3.08Å; G1570-L1602 VanDerWaalsContact O-CD2 3.26Å; G1570-L1602 WeakPolarHBondContact O-CD2 3.4Å
1571N87.5Confident85.9Confident26.2 Ų26.262.1 Ų62.114%0.1431%0.308CS..  trans-124.642.2179-170.436.2000111.1I1567 E1569 D1573 M1574 T1575 F1576 L1602I1567-N1571 HydrophobicContact CB-CB 4.25Å; I1567-N1571 HydrophobicContact CD1-CB 3.71Å; I1567-N1571 WeakPolarHBondContact CD1-ND2 3.21Å; I1567-N1571 HydrophobicContact CG2-CB 3.78Å; E1569-N1571 PolarHBondContact O-N 3.14Å; N1571-D1573 VanDerWaalsContact C-N 3.29Å; N1571-D1573 PolarHBondContact O-N 2.87Å; N1571-M1574 WeakPolarHBondContact O-CA 3.27Å; N1571-M1574 PolarHBondContact O-N 2.99Å; N1571-M1574 VanDerWaalsContact O-N 3.09Å; N1571-T1575 PolarHBondContact OD1-N 3.19Å; N1571-F1576 PolarHBondContact ND2-O 2.96Å; N1571-F1576 WeakPolarHBondContact OD1-CB 3.44Å; N1571-F1576 VanDerWaalsContact OD1-CD2 3.26Å; N1571-F1576 WeakPolarHBondContact OD1-CD2 3.31Å; N1571-F1576 PolarHBondContact OD1-N 3Å; N1571-F1576 PolarHBondContact OD1-O 2.86Å; N1571-L1602 HydrophobicContact CB-CB 4.16Å; N1571-L1602 HydrophobicContact CB-CD1 4.25Å; N1571-L1602 HydrophobicContact CB-CD2 3.99Å; N1571-L1602 HydrophobicContact CB-CG 4.27Å
1572E80.4Confident86Confident151.2 Ų151.262.1 Ų62.171%0.70731%0.308SS*.THydrogen-bonded Turntrans-65.2-32.8-166.5-65.491.8-166.200113.5G1570 M1574 Q1597G1570-E1572 VanDerWaalsContact C-OE2 3.23Å; G1570-E1572 VanDerWaalsContact CA-OE1 3.32Å; G1570-E1572 WeakPolarHBondContact CA-OE1 3.32Å; G1570-E1572 VanDerWaalsContact CA-OE2 3.24Å; G1570-E1572 WeakPolarHBondContact CA-OE2 3.35Å; G1570-E1572 PolarHBondContact N-OE1 2.89Å; E1572-M1574 VanDerWaalsContact C-N 3.3Å; E1572-M1574 PolarHBondContact O-N 3.03Å; E1572-Q1597 PolarHBondContact OE2-NE2 3.13Å
1573D79.9Confident86.1Confident51.4 Ų51.458.5 Ų58.528%0.27529%0.286SS..THydrogen-bonded Turntrans-82.4-5.7176.870.2-12.3000113.6N1571 T1575 R1596 Y1600N1571-D1573 VanDerWaalsContact C-N 3.29Å; N1571-D1573 PolarHBondContact O-N 2.87Å; D1573-T1575 VanDerWaalsContact CG-OG1 3.29Å; D1573-T1575 PolarHBondContact O-N 2.86Å; D1573-T1575 WeakPolarHBondContact OD1-CB 3.21Å; D1573-T1575 PolarHBondContact OD1-N 2.9Å; D1573-T1575 PolarHBondContact OD1-OG1 2.88Å; D1573-T1575 VanDerWaalsContact OD1-OG1 3.13Å; D1573-T1575 VanDerWaalsContact OD2-CB 3.29Å; D1573-T1575 WeakPolarHBondContact OD2-CB 3.48Å; D1573-T1575 PolarHBondContact OD2-OG1 3Å; D1573-R1596 PolarHBondContact O-NH2 3.15Å; D1573-R1596 IonicContact OD2-CZ 2.76Å; D1573-R1596 IonicContact OD2-NE 2.59Å; D1573-R1596 IonicContact OD2-NH1 2.67Å; D1573-R1596 PolarHBondContact OD2-NH1 2.79Å; D1573-R1596 IonicContact OD2-NH2 3.19Å; D1573-Y1600 WeakPolarHBondContact OD1-CE1 3.3Å; D1573-Y1600 PolarHBondContact OD1-OH 2.93Å; D1573-Y1600 VanDerWaalsContact OD2-CE1 3.28Å; D1573-Y1600 WeakPolarHBondContact OD2-CE1 3.13Å; D1573-Y1600 PolarHBondContact OD2-OH 2.84Å
1574M83.2Confident86.2Confident108.8 Ų108.860.7 Ų60.754%0.53630%0.296SS..  trans58.335.5-171.9-52.7178.8-9600114.3N1571 E1572 F1576 R1588N1571-M1574 WeakPolarHBondContact O-CA 3.27Å; N1571-M1574 PolarHBondContact O-N 2.99Å; N1571-M1574 VanDerWaalsContact O-N 3.09Å; E1572-M1574 VanDerWaalsContact C-N 3.3Å; E1572-M1574 PolarHBondContact O-N 3.03Å; M1574-F1576 VanDerWaalsContact C-N 3.33Å; M1574-F1576 CarbonylContact C-O 3.55Å; M1574-F1576 WeakPolarHBondContact CA-O 3.37Å; M1574-F1576 CarbonylContact O-C 3.56Å; M1574-F1576 PolarHBondContact O-N 3.03Å; M1574-F1576 VanDerWaalsContact O-N 3.17Å; M1574-F1576 VanDerWaalsContact O-O 3.1Å; M1574-R1588 VanDerWaalsContact CB-NH1 3.3Å; M1574-R1588 WeakPolarHBondContact O-CD 3.38Å; M1574-R1588 VanDerWaalsContact O-CG 3.27Å; M1574-R1588 WeakPolarHBondContact O-CG 3.15Å; M1574-R1588 PolarHBondContact O-NE 2.79Å; M1574-R1588 PolarHBondContact SD-NH1 3.21Å
1575T82.2Confident86.5Confident11 Ų1160.6 Ų60.67%0.06730%0.295CS..  trans-64.3-31.3173.7-75.90000112.2N1571 D1573 T1587 R1588 P1592 R1596 Y1600N1571-T1575 PolarHBondContact OD1-N 3.19Å; D1573-T1575 VanDerWaalsContact CG-OG1 3.29Å; D1573-T1575 PolarHBondContact O-N 2.86Å; D1573-T1575 WeakPolarHBondContact OD1-CB 3.21Å; D1573-T1575 PolarHBondContact OD1-N 2.9Å; D1573-T1575 PolarHBondContact OD1-OG1 2.88Å; D1573-T1575 VanDerWaalsContact OD1-OG1 3.13Å; D1573-T1575 VanDerWaalsContact OD2-CB 3.29Å; D1573-T1575 WeakPolarHBondContact OD2-CB 3.48Å; D1573-T1575 PolarHBondContact OD2-OG1 3Å; T1575-T1587 WeakPolarHBondContact O-CA 3.29Å; T1575-R1588 WeakPolarHBondContact O-CB 3.33Å; T1575-R1588 WeakPolarHBondContact O-CG 3.4Å; T1575-R1588 PolarHBondContact O-N 3.06Å; T1575-P1592 HydrophobicContact CG2-CB 4.08Å; T1575-P1592 HydrophobicContact CG2-CG 4.11Å; T1575-R1596 PolarHBondContact OG1-NH1 2.89Å; T1575-Y1600 WeakPolarHBondContact CB-OH 3.47Å; T1575-Y1600 HydrophobicContact CG2-CE1 4.44Å; T1575-Y1600 HydrophobicContact CG2-CE2 4.44Å; T1575-Y1600 PolarHBondContact OG1-OH 3.09Å; T1575-Y1600 VanDerWaalsContact OG1-OH 3.11Å
1576F88Confident86.3Confident0.4 Ų0.459.8 Ų59.80%0.00229%0.292CS..EExtended strand (participates in β ladder)trans-106.1154.4173.6-53-76.2000112.3V1547 I1567 N1571 M1574 I1585 A1586 T1587 R1588 Y1600 L1602 V1622 I1624V1547-F1576 HydrophobicContact CB-CD1 4.23Å; V1547-F1576 HydrophobicContact CG1-CD1 4.26Å; V1547-F1576 HydrophobicContact CG2-CD1 3.95Å; V1547-F1576 HydrophobicContact CG2-CE1 3.89Å; I1567-F1576 HydrophobicContact CD1-CB 4.3Å; N1571-F1576 PolarHBondContact ND2-O 2.96Å; N1571-F1576 WeakPolarHBondContact OD1-CB 3.44Å; N1571-F1576 VanDerWaalsContact OD1-CD2 3.26Å; N1571-F1576 WeakPolarHBondContact OD1-CD2 3.31Å; N1571-F1576 PolarHBondContact OD1-N 3Å; N1571-F1576 PolarHBondContact OD1-O 2.86Å; M1574-F1576 VanDerWaalsContact C-N 3.33Å; M1574-F1576 CarbonylContact C-O 3.55Å; M1574-F1576 WeakPolarHBondContact CA-O 3.37Å; M1574-F1576 CarbonylContact O-C 3.56Å; M1574-F1576 PolarHBondContact O-N 3.03Å; M1574-F1576 VanDerWaalsContact O-N 3.17Å; M1574-F1576 VanDerWaalsContact O-O 3.1Å; F1576-I1585 HydrophobicContact CB-CG2 3.89Å; F1576-I1585 HydrophobicContact CD1-CG2 4.15Å; F1576-I1585 HydrophobicContact CG-CG2 4.25Å; F1576-A1586 CarbonylContact C-O 3.53Å; F1576-A1586 WeakPolarHBondContact CA-O 3.29Å; F1576-T1587 HydrophobicContact CD1-CG2 4.32Å; F1576-T1587 HydrophobicContact CE1-CG2 4.09Å; F1576-R1588 VanDerWaalsContact O-CD 3.25Å; F1576-R1588 WeakPolarHBondContact O-CD 3.45Å; F1576-R1588 PolarHBondContact O-NE 3.12Å; F1576-R1588 PolarHBondContact O-NH2 2.8Å; F1576-Y1600 HydrophobicContact CD2-CD1 4.3Å; F1576-Y1600 HydrophobicContact CD2-CG 4.43Å; F1576-Y1600 AromaticContact CE2-CD1 3.77Å; F1576-Y1600 HydrophobicContact CE2-CD1 3.77Å; F1576-Y1600 AromaticContact CE2-CD2 3.72Å; F1576-Y1600 HydrophobicContact CE2-CD2 3.72Å; F1576-Y1600 HydrophobicContact CE2-CE1 4.07Å; F1576-Y1600 AromaticContact CE2-CE2 3.87Å; F1576-Y1600 HydrophobicContact CE2-CE2 4.03Å; F1576-Y1600 AromaticContact CE2-CG 3.59Å; F1576-Y1600 HydrophobicContact CE2-CG 3.59Å; F1576-Y1600 VanDerWaalsContact CE2-CG 3.48Å; F1576-Y1600 AromaticContact CE2-CZ 4Å; F1576-Y1600 AromaticContact CZ-CD2 3.96Å; F1576-Y1600 HydrophobicContact CZ-CD2 4.18Å; F1576-Y1600 HydrophobicContact CZ-CE2 4.29Å; F1576-Y1600 HydrophobicContact CZ-CG 4.38Å; F1576-L1602 HydrophobicContact CB-CD1 4.35Å; F1576-L1602 HydrophobicContact CD2-CD1 4.08Å; F1576-L1602 HydrophobicContact CD2-CD2 4.07Å; F1576-L1602 HydrophobicContact CG-CD1 4.27Å; F1576-V1622 HydrophobicContact CD2-CG2 3.91Å; F1576-V1622 HydrophobicContact CE1-CG1 4.2Å; F1576-V1622 HydrophobicContact CE1-CG2 4.31Å; F1576-V1622 HydrophobicContact CE2-CB 3.68Å; F1576-V1622 HydrophobicContact CE2-CG1 3.89Å; F1576-V1622 HydrophobicContact CE2-CG2 3.43Å; F1576-V1622 VanDerWaalsContact CE2-CG2 3.43Å; F1576-V1622 HydrophobicContact CZ-CB 4.11Å; F1576-V1622 HydrophobicContact CZ-CG1 3.72Å; F1576-V1622 HydrophobicContact CZ-CG2 4.12Å; F1576-I1624 HydrophobicContact CZ-CD1 4.38Å
1577R88.2Confident86.2Confident106 Ų10656.6 Ų56.640%0.428%0.28SS..EExtended strand (participates in β ladder)trans-120147.7165.164.2-178.8-169.7-104.210.9108.8G1544 I1585 A1586 T1587 R1588G1544-R1577 VanDerWaalsContact CA-NH1 3.33Å; G1544-R1577 VanDerWaalsContact N-NH1 3.15Å; R1577-I1585 CarbonylContact O-C 3.47Å; R1577-I1585 VanDerWaalsContact O-CA 3.3Å; R1577-I1585 WeakPolarHBondContact O-CA 3.37Å; R1577-A1586 HydrophobicContact CG-CB 4.32Å; R1577-A1586 WeakPolarHBondContact CG-O 3.32Å; R1577-A1586 PolarHBondContact N-O 3.19Å; R1577-A1586 PolarHBondContact NH1-O 2.85Å; R1577-A1586 VanDerWaalsContact NH1-O 3.08Å; R1577-A1586 PolarHBondContact O-N 2.97Å; R1577-T1587 PolarHBondContact NH1-O 2.9Å; R1577-R1588 HydrophobicContact CB-CG 4.12Å; R1577-R1588 HydrophobicContact CG-CG 4.38Å
1578M88.6Confident85.8Confident33 Ų3359.5 Ų59.516%0.16329%0.289CS..EExtended strand (participates in β ladder)trans-114.2135165.9-172.8145.4131.400109V1550 Y1565 Y1566 I1567 R1580 G1583 E1584 I1585 V1604V1550-M1578 HydrophobicContact CB-CE 3.95Å; V1550-M1578 HydrophobicContact CG2-CE 4.09Å; Y1565-M1578 HydrophobicContact CD1-CE 3.97Å; Y1565-M1578 HydrophobicContact CG-CE 4.26Å; Y1566-M1578 VanDerWaalsContact CA-CE 3.49Å; Y1566-M1578 VanDerWaalsContact O-CE 3.31Å; Y1566-M1578 WeakPolarHBondContact O-CE 3.1Å; I1567-M1578 HydrophobicContact CD1-CB 3.82Å; I1567-M1578 VanDerWaalsContact CD1-CB 3.49Å; I1567-M1578 HydrophobicContact CD1-CG 4.44Å; I1567-M1578 HydrophobicContact CD1-SD 4.25Å; I1567-M1578 HydrophobicContact CG1-CB 3.88Å; I1567-M1578 HydrophobicContact CG1-CE 4.1Å; I1567-M1578 HydrophobicContact CG1-CG 4.36Å; I1567-M1578 HydrophobicContact CG1-SD 3.9Å; M1578-R1580 PolarHBondContact O-N 2.88Å; M1578-G1583 VanDerWaalsContact CE-O 3.25Å; M1578-G1583 WeakPolarHBondContact CE-O 3.45Å; M1578-G1583 WeakPolarHBondContact CG-O 3.18Å; M1578-G1583 VanDerWaalsContact SD-O 3.33Å; M1578-E1584 CarbonylContact C-O 3.55Å; M1578-E1584 VanDerWaalsContact CA-O 3.27Å; M1578-E1584 WeakPolarHBondContact CA-O 3.34Å; M1578-E1584 WeakPolarHBondContact CG-O 3.36Å; M1578-I1585 HydrophobicContact CB-CG1 4.17Å; M1578-I1585 HydrophobicContact CE-CD1 4Å; M1578-I1585 HydrophobicContact CE-CG1 3.85Å; M1578-I1585 VanDerWaalsContact CE-CG1 3.41Å; M1578-I1585 HydrophobicContact CG-CG1 3.99Å; M1578-I1585 HydrophobicContact SD-CD1 4.02Å; M1578-I1585 VanDerWaalsContact SD-CD1 3.57Å; M1578-I1585 HydrophobicContact SD-CG1 3.79Å; M1578-I1585 VanDerWaalsContact SD-CG1 3.59Å; M1578-V1604 HydrophobicContact CE-CB 4.18Å; M1578-V1604 HydrophobicContact CE-CG1 3.54Å; M1578-V1604 VanDerWaalsContact CE-CG1 3.46Å; M1578-V1604 HydrophobicContact CE-CG2 3.8Å; M1578-V1604 HydrophobicContact SD-CG1 3.85Å; M1578-V1604 HydrophobicContact SD-CG2 4.2Å
1579D87.2Confident85.4Confident72.6 Ų72.661.4 Ų61.439%0.38830%0.302SS..  trans-75.4121.2169.1-179.4-28.7000109.9I1581 S1582 G1583 E1584D1579-I1581 PolarHBondContact O-N 2.84Å; D1579-I1581 VanDerWaalsContact O-N 3.16Å; D1579-I1581 WeakPolarHBondContact OD1-CA 3.08Å; D1579-I1581 PolarHBondContact OD1-N 3.05Å; D1579-I1581 PolarHBondContact OD2-N 3.49Å; D1579-S1582 VanDerWaalsContact CB-OG 3.29Å; D1579-S1582 WeakPolarHBondContact CB-OG 3.32Å; D1579-S1582 VanDerWaalsContact CG-CB 3.49Å; D1579-S1582 VanDerWaalsContact CG-OG 3.3Å; D1579-S1582 PolarHBondContact O-N 3.44Å; D1579-S1582 VanDerWaalsContact OD1-CB 3.27Å; D1579-S1582 WeakPolarHBondContact OD1-CB 3.13Å; D1579-S1582 PolarHBondContact OD1-N 3.06Å; D1579-S1582 PolarHBondContact OD1-OG 2.93Å; D1579-S1582 VanDerWaalsContact OD2-CB 3.26Å; D1579-S1582 WeakPolarHBondContact OD2-CB 3.37Å; D1579-S1582 PolarHBondContact OD2-N 3.23Å; D1579-S1582 VanDerWaalsContact OD2-N 3.1Å; D1579-S1582 PolarHBondContact OD2-OG 3.13Å; D1579-G1583 WeakPolarHBondContact O-CA 3.26Å; D1579-G1583 PolarHBondContact O-N 3.01Å; D1579-G1583 VanDerWaalsContact O-N 3.13Å; D1579-E1584 HydrophobicContact CB-CB 4.5Å; D1579-E1584 PolarHBondContact N-O 3.09Å
1580R85.6Confident84.8Confident117 Ų11758.5 Ų58.544%0.44230%0.3SS..THydrogen-bonded Turntrans-63.2-20-175-174.3175.7179.9-144.23.7113.2S1564 Y1565 Y1566 M1578 E1609S1564-R1580 WeakPolarHBondContact CA-O 3.29Å; S1564-R1580 PolarHBondContact OG-NE 3.15Å; S1564-R1580 PolarHBondContact OG-NH1 2.86Å; S1564-R1580 PolarHBondContact OG-NH2 2.95Å; Y1565-R1580 WeakPolarHBondContact CB-O 3.41Å; Y1565-R1580 WeakPolarHBondContact CD2-O 3.28Å; Y1565-R1580 VanDerWaalsContact CG-O 3.27Å; Y1565-R1580 PolarHBondContact N-O 2.96Å; Y1565-R1580 VanDerWaalsContact N-O 3.07Å; Y1565-R1580 WeakPolarHBondContact O-CA 3.25Å; Y1565-R1580 VanDerWaalsContact O-CG 3.26Å; Y1565-R1580 WeakPolarHBondContact O-CG 3.35Å; Y1566-R1580 HydrophobicContact CE1-CG 4.42Å; Y1566-R1580 VanDerWaalsContact OH-CZ 3.27Å; Y1566-R1580 PolarHBondContact OH-NE 3.07Å; Y1566-R1580 VanDerWaalsContact OH-NE 3.12Å; Y1566-R1580 PolarHBondContact OH-NH2 2.91Å; M1578-R1580 PolarHBondContact O-N 2.88Å; R1580-E1609 IonicContact CZ-OE1 3.27Å; R1580-E1609 VanDerWaalsContact CZ-OE1 3.24Å; R1580-E1609 IonicContact CZ-OE2 3.48Å; R1580-E1609 VanDerWaalsContact CZ-OE2 3.24Å; R1580-E1609 IonicContact NE-OE1 3.54Å; R1580-E1609 VanDerWaalsContact NH1-CD 3.33Å; R1580-E1609 IonicContact NH1-OE1 2.82Å; R1580-E1609 PolarHBondContact NH1-OE1 3.04Å; R1580-E1609 IonicContact NH1-OE2 3.24Å; R1580-E1609 PolarHBondContact NH1-OE2 3.22Å; R1580-E1609 IonicContact NH2-OE1 3.37Å; R1580-E1609 PolarHBondContact NH2-OE1 3.24Å; R1580-E1609 IonicContact NH2-OE2 2.66Å; R1580-E1609 PolarHBondContact NH2-OE2 2.93Å
1581I84.5Confident84.3Confident141.4 Ų141.460.2 Ų60.273%0.72531%0.308SS*.THydrogen-bonded Turntrans-106.1-43-174.8-55.3175.7000111.4Y1565 D1579Y1565-I1581 VanDerWaalsContact CE1-C 3.5Å; Y1565-I1581 WeakPolarHBondContact CE1-O 3.49Å; Y1565-I1581 WeakPolarHBondContact CE2-O 3.45Å; Y1565-I1581 PolarHBondContact OH-O 3.35Å; D1579-I1581 PolarHBondContact O-N 2.84Å; D1579-I1581 VanDerWaalsContact O-N 3.16Å; D1579-I1581 WeakPolarHBondContact OD1-CA 3.08Å; D1579-I1581 PolarHBondContact OD1-N 3.05Å; D1579-I1581 PolarHBondContact OD2-N 3.49Å
1582S85.3Confident84Confident39 Ų3959 Ų5927%0.27330%0.302SS..THydrogen-bonded Turntrans-94.1-15-175.4750000114.8Q1549 R1551 D1579 E1584Q1549-S1582 VanDerWaalsContact CG-O 3.25Å; Q1549-S1582 WeakPolarHBondContact CG-O 3.38Å; Q1549-S1582 PolarHBondContact NE2-O 2.88Å; R1551-S1582 PolarHBondContact NE-O 2.85Å; D1579-S1582 VanDerWaalsContact CB-OG 3.29Å; D1579-S1582 WeakPolarHBondContact CB-OG 3.32Å; D1579-S1582 VanDerWaalsContact CG-CB 3.49Å; D1579-S1582 VanDerWaalsContact CG-OG 3.3Å; D1579-S1582 PolarHBondContact O-N 3.44Å; D1579-S1582 VanDerWaalsContact OD1-CB 3.27Å; D1579-S1582 WeakPolarHBondContact OD1-CB 3.13Å; D1579-S1582 PolarHBondContact OD1-N 3.06Å; D1579-S1582 PolarHBondContact OD1-OG 2.93Å; D1579-S1582 VanDerWaalsContact OD2-CB 3.26Å; D1579-S1582 WeakPolarHBondContact OD2-CB 3.37Å; D1579-S1582 PolarHBondContact OD2-N 3.23Å; D1579-S1582 VanDerWaalsContact OD2-N 3.1Å; D1579-S1582 PolarHBondContact OD2-OG 3.13Å; S1582-E1584 PolarHBondContact O-N 2.91Å; S1582-E1584 VanDerWaalsContact OG-CB 3.28Å; S1582-E1584 WeakPolarHBondContact OG-CB 3.17Å; S1582-E1584 PolarHBondContact OG-N 2.86Å
1583G87.7Confident84.2Confident0 Ų054.2 Ų54.20%028%0.281CS..  trans74.79.2-177.700000115.2Q1549 V1550 Y1565 M1578 D1579Q1549-G1583 VanDerWaalsContact CA-O 3.24Å; Q1549-G1583 WeakPolarHBondContact CA-O 3.45Å; V1550-G1583 PolarHBondContact N-O 3.09Å; V1550-G1583 WeakPolarHBondContact O-CA 3.45Å; Y1565-G1583 VanDerWaalsContact CG-CA 3.42Å; M1578-G1583 VanDerWaalsContact CE-O 3.25Å; M1578-G1583 WeakPolarHBondContact CE-O 3.45Å; M1578-G1583 WeakPolarHBondContact CG-O 3.18Å; M1578-G1583 VanDerWaalsContact SD-O 3.33Å; D1579-G1583 WeakPolarHBondContact O-CA 3.26Å; D1579-G1583 PolarHBondContact O-N 3.01Å; D1579-G1583 VanDerWaalsContact O-N 3.13Å
1584E90.9Very high84.6Confident77 Ų7753.3 Ų53.336%0.3627%0.274SS..EExtended strand (participates in β ladder)trans-77.4124.4-178.5-173.7178.8-166.500112.2S1546 V1548 Q1549 M1578 D1579 S1582S1546-E1584 WeakPolarHBondContact CB-OE1 3.33Å; S1546-E1584 PolarHBondContact OG-OE1 2.99Å; V1548-E1584 CarbonylContact O-C 3.59Å; Q1549-E1584 HydrophobicContact CG-CB 4.43Å; M1578-E1584 CarbonylContact C-O 3.55Å; M1578-E1584 VanDerWaalsContact CA-O 3.27Å; M1578-E1584 WeakPolarHBondContact CA-O 3.34Å; M1578-E1584 WeakPolarHBondContact CG-O 3.36Å; D1579-E1584 HydrophobicContact CB-CB 4.5Å; D1579-E1584 PolarHBondContact N-O 3.09Å; S1582-E1584 PolarHBondContact O-N 2.91Å; S1582-E1584 VanDerWaalsContact OG-CB 3.28Å; S1582-E1584 WeakPolarHBondContact OG-CB 3.17Å; S1582-E1584 PolarHBondContact OG-N 2.86Å
1585I90.7Very high84.7Confident0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-92.2124.8169.9-57.3-179.7000108.9V1547 V1548 V1550 I1567 F1576 R1577 M1578 L1602 V1604 V1620V1547-I1585 CarbonylContact C-O 3.6Å; V1547-I1585 VanDerWaalsContact C-O 3.24Å; V1547-I1585 WeakPolarHBondContact CA-O 3.43Å; V1547-I1585 HydrophobicContact CB-CB 4.45Å; V1547-I1585 HydrophobicContact CB-CG2 4.21Å; V1547-I1585 VanDerWaalsContact CB-O 3.32Å; V1547-I1585 WeakPolarHBondContact CB-O 3.39Å; V1547-I1585 HydrophobicContact CG1-CG2 3.74Å; V1547-I1585 PolarHBondContact N-O 3.15Å; V1548-I1585 HydrophobicContact CG1-CB 4.12Å; V1548-I1585 HydrophobicContact CG1-CD1 3.85Å; V1548-I1585 HydrophobicContact CG1-CG1 4.23Å; V1548-I1585 HydrophobicContact CG1-CG2 4.47Å; V1548-I1585 PolarHBondContact N-O 3.1Å; V1548-I1585 PolarHBondContact O-N 2.98Å; V1550-I1585 HydrophobicContact CG2-CD1 4.47Å; I1567-I1585 HydrophobicContact CD1-CD1 4.29Å; I1567-I1585 HydrophobicContact CD1-CG1 4.39Å; I1567-I1585 HydrophobicContact CD1-CG2 4.35Å; I1567-I1585 HydrophobicContact CG1-CD1 4.43Å; F1576-I1585 HydrophobicContact CB-CG2 3.89Å; F1576-I1585 HydrophobicContact CD1-CG2 4.15Å; F1576-I1585 HydrophobicContact CG-CG2 4.25Å; R1577-I1585 CarbonylContact O-C 3.47Å; R1577-I1585 VanDerWaalsContact O-CA 3.3Å; R1577-I1585 WeakPolarHBondContact O-CA 3.37Å; M1578-I1585 HydrophobicContact CB-CG1 4.17Å; M1578-I1585 HydrophobicContact CE-CD1 4Å; M1578-I1585 HydrophobicContact CE-CG1 3.85Å; M1578-I1585 VanDerWaalsContact CE-CG1 3.41Å; M1578-I1585 HydrophobicContact CG-CG1 3.99Å; M1578-I1585 HydrophobicContact SD-CD1 4.02Å; M1578-I1585 VanDerWaalsContact SD-CD1 3.57Å; M1578-I1585 HydrophobicContact SD-CG1 3.79Å; M1578-I1585 VanDerWaalsContact SD-CG1 3.59Å; I1585-L1602 HydrophobicContact CD1-CD1 4.06Å; I1585-L1602 HydrophobicContact CG2-CD1 4.09Å; I1585-V1604 HydrophobicContact CD1-CG2 3.98Å; I1585-V1620 HydrophobicContact CD1-CB 4.36Å; I1585-V1620 HydrophobicContact CD1-CG1 4.33Å; I1585-V1620 HydrophobicContact CD1-CG2 3.94Å
1586A88.6Confident84.7Confident4.4 Ų4.458.9 Ų58.94%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-138.3156.9177.100000111.7T1545 F1576 R1577 R1588T1545-A1586 CarbonylContact O-C 3.5Å; T1545-A1586 VanDerWaalsContact O-CA 3.23Å; T1545-A1586 WeakPolarHBondContact O-CA 3.39Å; T1545-A1586 WeakPolarHBondContact O-CB 3.24Å; F1576-A1586 CarbonylContact C-O 3.53Å; F1576-A1586 WeakPolarHBondContact CA-O 3.29Å; R1577-A1586 HydrophobicContact CG-CB 4.32Å; R1577-A1586 WeakPolarHBondContact CG-O 3.32Å; R1577-A1586 PolarHBondContact N-O 3.19Å; R1577-A1586 PolarHBondContact NH1-O 2.85Å; R1577-A1586 VanDerWaalsContact NH1-O 3.08Å; R1577-A1586 PolarHBondContact O-N 2.97Å; A1586-R1588 PolarHBondContact O-N 3.01Å
1587T85.8Confident84.5Confident0.2 Ų0.262 Ų620%0.00131%0.305CS..EExtended strand (participates in β ladder)trans-65.2148.7173.759.50000111.5V1537 V1541 G1542 G1543 G1544 T1545 V1547 T1575 F1576 R1577 P1592V1537-T1587 HydrophobicContact CG1-CG2 4.42Å; V1541-T1587 HydrophobicContact CG2-CG2 3.85Å; G1542-T1587 PolarHBondContact O-OG1 3.21Å; G1542-T1587 VanDerWaalsContact O-OG1 3.07Å; G1543-T1587 WeakPolarHBondContact CA-OG1 3.38Å; G1544-T1587 PolarHBondContact N-O 3.2Å; G1544-T1587 VanDerWaalsContact N-O 3.16Å; G1544-T1587 PolarHBondContact N-OG1 3.01Å; G1544-T1587 VanDerWaalsContact N-OG1 3.11Å; T1545-T1587 VanDerWaalsContact CA-OG1 3.28Å; T1545-T1587 WeakPolarHBondContact CA-OG1 3.4Å; T1545-T1587 VanDerWaalsContact CB-OG1 3.22Å; T1545-T1587 WeakPolarHBondContact CB-OG1 3.4Å; T1545-T1587 PolarHBondContact N-OG1 3.04Å; T1545-T1587 VanDerWaalsContact N-OG1 3.11Å; T1545-T1587 WeakPolarHBondContact O-CB 3.49Å; T1545-T1587 PolarHBondContact O-N 2.99Å; T1545-T1587 PolarHBondContact O-OG1 3.07Å; V1547-T1587 HydrophobicContact CG2-CG2 4.16Å; T1575-T1587 WeakPolarHBondContact O-CA 3.29Å; F1576-T1587 HydrophobicContact CD1-CG2 4.32Å; F1576-T1587 HydrophobicContact CE1-CG2 4.09Å; R1577-T1587 PolarHBondContact NH1-O 2.9Å; T1587-P1592 HydrophobicContact CG2-CG 3.99Å
1588R80.7Confident84.3Confident98 Ų9861.5 Ų61.537%0.3731%0.31SS..  trans-83.7170.3172-75.3-167.3155.2-151.93.7111.3G1543 M1574 T1575 F1576 R1577 A1586 A1590G1543-R1588 VanDerWaalsContact CA-C 3.49Å; G1543-R1588 WeakPolarHBondContact CA-O 3.35Å; M1574-R1588 VanDerWaalsContact CB-NH1 3.3Å; M1574-R1588 WeakPolarHBondContact O-CD 3.38Å; M1574-R1588 VanDerWaalsContact O-CG 3.27Å; M1574-R1588 WeakPolarHBondContact O-CG 3.15Å; M1574-R1588 PolarHBondContact O-NE 2.79Å; M1574-R1588 PolarHBondContact SD-NH1 3.21Å; T1575-R1588 WeakPolarHBondContact O-CB 3.33Å; T1575-R1588 WeakPolarHBondContact O-CG 3.4Å; T1575-R1588 PolarHBondContact O-N 3.06Å; F1576-R1588 VanDerWaalsContact O-CD 3.25Å; F1576-R1588 WeakPolarHBondContact O-CD 3.45Å; F1576-R1588 PolarHBondContact O-NE 3.12Å; F1576-R1588 PolarHBondContact O-NH2 2.8Å; R1577-R1588 HydrophobicContact CB-CG 4.12Å; R1577-R1588 HydrophobicContact CG-CG 4.38Å; A1586-R1588 PolarHBondContact O-N 3.01Å; R1588-A1590 VanDerWaalsContact C-N 3.27Å; R1588-A1590 CarbonylContact C-O 3.53Å; R1588-A1590 CarbonylContact O-C 3.48Å; R1588-A1590 PolarHBondContact O-N 3.06Å; R1588-A1590 VanDerWaalsContact O-N 3.13Å
1589P76.6Confident84.3Confident112 Ų11264.4 Ų64.473%0.72732%0.322SS*.SBendtrans-57.9-26.2179.4-28.737.7000115.3P1591P1589-P1591 VanDerWaalsContact O-CD 3.28Å; P1589-P1591 WeakPolarHBondContact O-CD 3.32Å
1590A74.2Confident84.4Confident64.6 Ų64.661.2 Ų61.253%0.53430%0.304SS..SBendtrans-75.6120.5163.700000108.1R1588R1588-A1590 VanDerWaalsContact C-N 3.27Å; R1588-A1590 CarbonylContact C-O 3.53Å; R1588-A1590 CarbonylContact O-C 3.48Å; R1588-A1590 PolarHBondContact O-N 3.06Å; R1588-A1590 VanDerWaalsContact O-N 3.13Å
1591P74.3Confident84.6Confident50.8 Ų50.858.9 Ų58.933%0.3330%0.298SS..PPolyproline II helixtrans-64.9156177.729.2-35.2000110.8N1540 V1541 P1589 D1593N1540-P1591 VanDerWaalsContact C-CB 3.44Å; N1540-P1591 VanDerWaalsContact CA-CB 3.45Å; V1541-P1591 WeakPolarHBondContact O-CA 3.34Å; V1541-P1591 VanDerWaalsContact O-CB 3.32Å; V1541-P1591 WeakPolarHBondContact O-CB 3.32Å; P1589-P1591 VanDerWaalsContact O-CD 3.28Å; P1589-P1591 WeakPolarHBondContact O-CD 3.32Å; P1591-D1593 PolarHBondContact O-N 2.65Å
1592P81.9Confident84.9Confident0.4 Ų0.452.2 Ų52.20%0.00326%0.264CS..PPolyproline II helixtrans-59.5144.2162.12.35.1000109.8V1537 N1538 E1539 N1540 V1541 T1575 T1587 I1624V1537-P1592 HydrophobicContact CB-CG 4.13Å; V1537-P1592 HydrophobicContact CG1-CG 4.26Å; N1538-P1592 WeakPolarHBondContact O-CG 3.09Å; E1539-P1592 CarbonylContact C-O 3.51Å; E1539-P1592 VanDerWaalsContact CA-O 3.32Å; E1539-P1592 WeakPolarHBondContact CA-O 3.31Å; E1539-P1592 VanDerWaalsContact CB-O 3.29Å; E1539-P1592 WeakPolarHBondContact CB-O 3.42Å; N1540-P1592 PolarHBondContact N-O 3.11Å; V1541-P1592 HydrophobicContact CG2-CG 4.01Å; T1575-P1592 HydrophobicContact CG2-CB 4.08Å; T1575-P1592 HydrophobicContact CG2-CG 4.11Å; T1587-P1592 HydrophobicContact CG2-CG 3.99Å; P1592-I1624 HydrophobicContact CB-CD1 3.7Å; P1592-I1624 HydrophobicContact CB-CG1 4.27Å; P1592-I1624 HydrophobicContact CB-CG2 4.18Å; P1592-I1624 HydrophobicContact CG-CD1 4.31Å
1593D84.9Confident85.2Confident49.8 Ų49.851 Ų5127%0.26626%0.255SS..  trans-135.1118.8-175.2154.6-8.9000105.7P1591 E1595 R1596 Q1597P1591-D1593 PolarHBondContact O-N 2.65Å; D1593-E1595 WeakPolarHBondContact OD1-CB 3.19Å; D1593-E1595 PolarHBondContact OD1-N 3.01Å; D1593-E1595 VanDerWaalsContact OD1-N 3.13Å; D1593-R1596 HydrophobicContact CB-CB 4.16Å; D1593-R1596 HydrophobicContact CB-CG 4.31Å; D1593-R1596 WeakPolarHBondContact O-CB 3.46Å; D1593-R1596 PolarHBondContact O-N 2.63Å; D1593-R1596 VanDerWaalsContact OD1-CB 3.31Å; D1593-R1596 WeakPolarHBondContact OD1-CB 3.38Å; D1593-R1596 WeakPolarHBondContact OD1-CG 3.11Å; D1593-R1596 PolarHBondContact OD1-N 2.81Å; D1593-R1596 IonicContact OD1-NE 2.64Å; D1593-R1596 PolarHBondContact OD1-NE 3.31Å; D1593-R1596 WeakPolarHBondContact OD2-CB 3.33Å; D1593-R1596 VanDerWaalsContact OD2-CD 3.27Å; D1593-R1596 WeakPolarHBondContact OD2-CD 3.45Å; D1593-R1596 WeakPolarHBondContact OD2-CG 3.43Å; D1593-R1596 IonicContact OD2-CZ 3.54Å; D1593-R1596 IonicContact OD2-NE 2.94Å; D1593-R1596 PolarHBondContact OD2-NE 2.87Å; D1593-R1596 IonicContact OD2-NH2 2.95Å; D1593-R1596 PolarHBondContact OD2-NH2 2.86Å; D1593-Q1597 PolarHBondContact O-N 2.92Å
1594R88.3Confident85.3Confident33.2 Ų33.251 Ų5113%0.12526%0.255CS..THydrogen-bonded Turntrans-78.6-34.4-169.5-170.8-149.360.71050.7111.6E1539 R1596 Q1597 N1598 I1624 V1625 D1626 L1662 E1664E1539-R1594 HydrophobicContact CB-CB 4.4Å; E1539-R1594 VanDerWaalsContact CD-CB 3.47Å; E1539-R1594 WeakPolarHBondContact OE1-CB 3.44Å; E1539-R1594 IonicContact OE1-NE 3.35Å; E1539-R1594 WeakPolarHBondContact OE2-CA 3.28Å; E1539-R1594 WeakPolarHBondContact OE2-CB 3.35Å; E1539-R1594 PolarHBondContact OE2-N 3.21Å; R1594-R1596 VanDerWaalsContact C-N 3.25Å; R1594-R1596 PolarHBondContact O-N 3Å; R1594-R1596 VanDerWaalsContact O-N 3.15Å; R1594-Q1597 CarbonylContact O-C 3.52Å; R1594-Q1597 PolarHBondContact O-N 2.91Å; R1594-N1598 HydrophobicContact CG-CB 3.75Å; R1594-N1598 PolarHBondContact O-N 3.28Å; R1594-N1598 VanDerWaalsContact O-N 3.11Å; R1594-I1624 HydrophobicContact CB-CB 4.44Å; R1594-I1624 HydrophobicContact CB-CG2 3.95Å; R1594-I1624 HydrophobicContact CG-CB 4.38Å; R1594-I1624 HydrophobicContact CG-CG2 4.24Å; R1594-V1625 VanDerWaalsContact CB-C 3.42Å; R1594-V1625 WeakPolarHBondContact CB-O 3.44Å; R1594-D1626 IonicContact CZ-OD1 3.02Å; R1594-D1626 IonicContact NE-OD1 3.5Å; R1594-D1626 PolarHBondContact NE-OD1 2.89Å; R1594-D1626 VanDerWaalsContact NE-OD1 3.11Å; R1594-D1626 IonicContact NH1-OD1 3.65Å; R1594-D1626 PolarHBondContact NH1-OD1 2.72Å; R1594-D1626 IonicContact NH2-OD1 3.22Å; R1594-D1626 PolarHBondContact NH2-OD1 3.24Å; R1594-L1662 PolarHBondContact NH2-O 2.73Å; R1594-E1664 IonicContact CZ-OE2 2.64Å; R1594-E1664 IonicContact NH1-OE2 3.31Å; R1594-E1664 PolarHBondContact NH1-OE2 3.1Å; R1594-E1664 VanDerWaalsContact NH2-N 3.17Å; R1594-E1664 IonicContact NH2-OE2 2.72Å
1595E84.4Confident85.3Confident59.4 Ų59.448.1 Ų48.128%0.27824%0.242SC..THydrogen-bonded Turntrans-61.3-28.4175.6-71.852.4-106.600110.9E1539 D1593 N1630 L1662E1539-E1595 VanDerWaalsContact OE2-OE2 3.09Å; D1593-E1595 WeakPolarHBondContact OD1-CB 3.19Å; D1593-E1595 PolarHBondContact OD1-N 3.01Å; D1593-E1595 VanDerWaalsContact OD1-N 3.13Å; E1595-N1630 VanDerWaalsContact CD-ND2 3.34Å; E1595-N1630 PolarHBondContact OE2-ND2 2.92Å; E1595-L1662 HydrophobicContact CB-CB 4.21Å; E1595-L1662 HydrophobicContact CG-CB 4.02Å; E1595-L1662 HydrophobicContact CG-CD1 4.16Å
1596R81.4Confident85.3Confident177.2 Ų177.248.1 Ų48.167%0.66924%0.243SC*.THydrogen-bonded Turntrans-83.1-53171.2-137176.2-169-149-5.2113.4D1573 T1575 D1593 R1594D1573-R1596 PolarHBondContact O-NH2 3.15Å; D1573-R1596 IonicContact OD2-CZ 2.76Å; D1573-R1596 IonicContact OD2-NE 2.59Å; D1573-R1596 IonicContact OD2-NH1 2.67Å; D1573-R1596 PolarHBondContact OD2-NH1 2.79Å; D1573-R1596 IonicContact OD2-NH2 3.19Å; T1575-R1596 PolarHBondContact OG1-NH1 2.89Å; D1593-R1596 HydrophobicContact CB-CB 4.16Å; D1593-R1596 HydrophobicContact CB-CG 4.31Å; D1593-R1596 WeakPolarHBondContact O-CB 3.46Å; D1593-R1596 PolarHBondContact O-N 2.63Å; D1593-R1596 VanDerWaalsContact OD1-CB 3.31Å; D1593-R1596 WeakPolarHBondContact OD1-CB 3.38Å; D1593-R1596 WeakPolarHBondContact OD1-CG 3.11Å; D1593-R1596 PolarHBondContact OD1-N 2.81Å; D1593-R1596 IonicContact OD1-NE 2.64Å; D1593-R1596 PolarHBondContact OD1-NE 3.31Å; D1593-R1596 WeakPolarHBondContact OD2-CB 3.33Å; D1593-R1596 VanDerWaalsContact OD2-CD 3.27Å; D1593-R1596 WeakPolarHBondContact OD2-CD 3.45Å; D1593-R1596 WeakPolarHBondContact OD2-CG 3.43Å; D1593-R1596 IonicContact OD2-CZ 3.54Å; D1593-R1596 IonicContact OD2-NE 2.94Å; D1593-R1596 PolarHBondContact OD2-NE 2.87Å; D1593-R1596 IonicContact OD2-NH2 2.95Å; D1593-R1596 PolarHBondContact OD2-NH2 2.86Å; R1594-R1596 VanDerWaalsContact C-N 3.25Å; R1594-R1596 PolarHBondContact O-N 3Å; R1594-R1596 VanDerWaalsContact O-N 3.15Å
1597Q84.6Confident85.4Confident67 Ų6750.6 Ų50.631%0.31325%0.254SS..  trans-155.7110.9-179.7-175.4162.5-28.300113.3E1572 D1593 R1594 F1599 Y1600 I1624E1572-Q1597 PolarHBondContact OE2-NE2 3.13Å; D1593-Q1597 PolarHBondContact O-N 2.92Å; R1594-Q1597 CarbonylContact O-C 3.52Å; R1594-Q1597 PolarHBondContact O-N 2.91Å; Q1597-F1599 VanDerWaalsContact C-N 3.29Å; Q1597-F1599 VanDerWaalsContact CG-O 3.3Å; Q1597-F1599 WeakPolarHBondContact CG-O 3.26Å; Q1597-F1599 PolarHBondContact NE2-O 3.02Å; Q1597-F1599 VanDerWaalsContact NE2-O 3.11Å; Q1597-F1599 PolarHBondContact O-N 3.12Å; Q1597-Y1600 HydrophobicContact CB-CE1 4.28Å; Q1597-Y1600 HydrophobicContact CB-CE2 4.26Å; Q1597-Y1600 WeakPolarHBondContact CB-OH 3.17Å; Q1597-Y1600 HydrophobicContact CG-CD1 4.36Å; Q1597-Y1600 HydrophobicContact CG-CD2 4.35Å; Q1597-Y1600 HydrophobicContact CG-CE1 4.11Å; Q1597-Y1600 HydrophobicContact CG-CE2 4.01Å; Q1597-Y1600 VanDerWaalsContact NE2-CD1 3.33Å; Q1597-Y1600 WeakPolarHBondContact O-CE2 3.48Å; Q1597-I1624 WeakPolarHBondContact O-CB 3.38Å; Q1597-I1624 WeakPolarHBondContact O-CG1 3.17Å
1598N84.5Confident85.5Confident94.6 Ų94.650.6 Ų50.651%0.50625%0.254SS..SBendtrans-84.6-9.2-175.568.1-3.9000116R1594 T1623 I1624R1594-N1598 HydrophobicContact CG-CB 3.75Å; R1594-N1598 PolarHBondContact O-N 3.28Å; R1594-N1598 VanDerWaalsContact O-N 3.11Å; N1598-T1623 CarbonylContact O-C 3.49Å; N1598-T1623 WeakPolarHBondContact O-CA 3.35Å; N1598-T1623 WeakPolarHBondContact O-CG2 3.32Å; N1598-I1624 PolarHBondContact O-N 3.19Å
1599F88.7Confident85.7Confident94 Ų9449.1 Ų49.141%0.41225%0.251SS..EExtended strand (participates in β ladder)trans-152.6143.3-174.5-174-100.2000113Q1597 H1601 Y1621 V1622 T1623Q1597-F1599 VanDerWaalsContact C-N 3.29Å; Q1597-F1599 VanDerWaalsContact CG-O 3.3Å; Q1597-F1599 WeakPolarHBondContact CG-O 3.26Å; Q1597-F1599 PolarHBondContact NE2-O 3.02Å; Q1597-F1599 VanDerWaalsContact NE2-O 3.11Å; Q1597-F1599 PolarHBondContact O-N 3.12Å; F1599-H1601 HydrophobicContact CE1-CB 4.35Å; F1599-Y1621 HydrophobicContact CE1-CD1 4.42Å; F1599-Y1621 AromaticContact CZ-CD1 3.87Å; F1599-Y1621 HydrophobicContact CZ-CD1 3.98Å; F1599-V1622 WeakPolarHBondContact CA-O 3.27Å; F1599-V1622 VanDerWaalsContact CD2-O 3.3Å; F1599-V1622 WeakPolarHBondContact CD2-O 3.24Å; F1599-V1622 WeakPolarHBondContact CE2-O 3.16Å; F1599-T1623 HydrophobicContact CD2-CG2 3.87Å; F1599-T1623 WeakPolarHBondContact CD2-OG1 3.24Å; F1599-T1623 HydrophobicContact CE2-CG2 3.91Å; F1599-T1623 WeakPolarHBondContact CE2-OG1 3.37Å
1600Y88.2Confident86Confident4.6 Ų4.643.9 Ų43.92%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-134.6142.1178.3-61.9-101.1000111.8G1570 D1573 T1575 F1576 Q1597 L1602 Y1621 V1622 I1624G1570-Y1600 WeakPolarHBondContact O-CB 3.2Å; D1573-Y1600 WeakPolarHBondContact OD1-CE1 3.3Å; D1573-Y1600 PolarHBondContact OD1-OH 2.93Å; D1573-Y1600 VanDerWaalsContact OD2-CE1 3.28Å; D1573-Y1600 WeakPolarHBondContact OD2-CE1 3.13Å; D1573-Y1600 PolarHBondContact OD2-OH 2.84Å; T1575-Y1600 WeakPolarHBondContact CB-OH 3.47Å; T1575-Y1600 HydrophobicContact CG2-CE1 4.44Å; T1575-Y1600 HydrophobicContact CG2-CE2 4.44Å; T1575-Y1600 PolarHBondContact OG1-OH 3.09Å; T1575-Y1600 VanDerWaalsContact OG1-OH 3.11Å; F1576-Y1600 HydrophobicContact CD2-CD1 4.3Å; F1576-Y1600 HydrophobicContact CD2-CG 4.43Å; F1576-Y1600 AromaticContact CE2-CD1 3.77Å; F1576-Y1600 HydrophobicContact CE2-CD1 3.77Å; F1576-Y1600 AromaticContact CE2-CD2 3.72Å; F1576-Y1600 HydrophobicContact CE2-CD2 3.72Å; F1576-Y1600 HydrophobicContact CE2-CE1 4.07Å; F1576-Y1600 AromaticContact CE2-CE2 3.87Å; F1576-Y1600 HydrophobicContact CE2-CE2 4.03Å; F1576-Y1600 AromaticContact CE2-CG 3.59Å; F1576-Y1600 HydrophobicContact CE2-CG 3.59Å; F1576-Y1600 VanDerWaalsContact CE2-CG 3.48Å; F1576-Y1600 AromaticContact CE2-CZ 4Å; F1576-Y1600 AromaticContact CZ-CD2 3.96Å; F1576-Y1600 HydrophobicContact CZ-CD2 4.18Å; F1576-Y1600 HydrophobicContact CZ-CE2 4.29Å; F1576-Y1600 HydrophobicContact CZ-CG 4.38Å; Q1597-Y1600 HydrophobicContact CB-CE1 4.28Å; Q1597-Y1600 HydrophobicContact CB-CE2 4.26Å; Q1597-Y1600 WeakPolarHBondContact CB-OH 3.17Å; Q1597-Y1600 HydrophobicContact CG-CD1 4.36Å; Q1597-Y1600 HydrophobicContact CG-CD2 4.35Å; Q1597-Y1600 HydrophobicContact CG-CE1 4.11Å; Q1597-Y1600 HydrophobicContact CG-CE2 4.01Å; Q1597-Y1600 VanDerWaalsContact NE2-CD1 3.33Å; Q1597-Y1600 WeakPolarHBondContact O-CE2 3.48Å; Y1600-L1602 HydrophobicContact CD1-CD2 4.39Å; Y1600-L1602 HydrophobicContact CG-CD2 4.32Å; Y1600-Y1621 CarbonylContact O-C 3.46Å; Y1600-Y1621 WeakPolarHBondContact O-CA 3.06Å; Y1600-V1622 HydrophobicContact CD2-CB 3.88Å; Y1600-V1622 HydrophobicContact CG-CB 4.21Å; Y1600-V1622 PolarHBondContact N-O 2.99Å; Y1600-V1622 PolarHBondContact O-N 3.09Å; Y1600-I1624 HydrophobicContact CD2-CD1 4.22Å; Y1600-I1624 HydrophobicContact CD2-CG1 4.23Å; Y1600-I1624 HydrophobicContact CE2-CD1 4.06Å; Y1600-I1624 HydrophobicContact CE2-CG1 3.89Å
1601H91.3Very high86.1Confident69.4 Ų69.446.7 Ų46.732%0.32123%0.227SC..EExtended strand (participates in β ladder)trans-126.188.3173.7172.1-144000109.2E1569 G1570 F1599 V1603 H1619 V1620 Y1621E1569-H1601 CarbonylContact C-O 3.52Å; G1570-H1601 VanDerWaalsContact CA-O 3.25Å; G1570-H1601 WeakPolarHBondContact CA-O 3.43Å; G1570-H1601 PolarHBondContact O-N 2.85Å; G1570-H1601 VanDerWaalsContact O-N 3.08Å; F1599-H1601 HydrophobicContact CE1-CB 4.35Å; H1601-V1603 PolarHBondContact O-N 2.99Å; H1601-V1603 VanDerWaalsContact O-N 3.09Å; H1601-H1619 AromaticContact CE1-CD2 3.76Å; H1601-H1619 AromaticContact CE1-ND1 4Å; H1601-H1619 AromaticContact NE2-CD2 3.57Å; H1601-H1619 PolarHBondContact NE2-CD2 3.23Å; H1601-H1619 VanDerWaalsContact NE2-CD2 3.29Å; H1601-H1619 AromaticContact NE2-CE1 3.83Å; H1601-H1619 AromaticContact NE2-CG 3.56Å; H1601-H1619 VanDerWaalsContact NE2-CG 3.27Å; H1601-H1619 AromaticContact NE2-ND1 3.28Å; H1601-H1619 PolarHBondContact NE2-ND1 2.87Å; H1601-H1619 VanDerWaalsContact NE2-ND1 3.16Å; H1601-V1620 CarbonylContact C-O 3.57Å; H1601-V1620 VanDerWaalsContact CA-O 3.24Å; H1601-V1620 WeakPolarHBondContact CA-O 3.49Å; H1601-V1620 PolarHBondContact CD2-O 2.97Å; H1601-V1620 VanDerWaalsContact CD2-O 3.28Å; H1601-Y1621 HydrophobicContact CB-CD1 4.03Å; H1601-Y1621 HydrophobicContact CB-CE1 4.06Å; H1601-Y1621 HydrophobicContact CB-CG 4.4Å; H1601-Y1621 AromaticContact CD2-CD1 3.53Å; H1601-Y1621 VanDerWaalsContact CD2-CD1 3.42Å; H1601-Y1621 WeakPolarHBondContact CD2-CD1 3.28Å; H1601-Y1621 AromaticContact CD2-CD2 3.87Å; H1601-Y1621 AromaticContact CD2-CE1 3.12Å; H1601-Y1621 WeakPolarHBondContact CD2-CE1 3.36Å; H1601-Y1621 AromaticContact CD2-CE2 3.58Å; H1601-Y1621 AromaticContact CD2-CG 3.82Å; H1601-Y1621 AromaticContact CD2-CZ 3.58Å; H1601-Y1621 AromaticContact CE1-CE1 3.88Å; H1601-Y1621 AromaticContact CE1-CZ 3.96Å; H1601-Y1621 AromaticContact CG-CD1 3.78Å; H1601-Y1621 AromaticContact CG-CE1 3.43Å; H1601-Y1621 VanDerWaalsContact CG-CE1 3.41Å; H1601-Y1621 AromaticContact CG-CZ 3.87Å; H1601-Y1621 AromaticContact ND1-CE1 3.79Å; H1601-Y1621 AromaticContact NE2-CE1 3.54Å; H1601-Y1621 WeakPolarHBondContact NE2-CE1 3.29Å; H1601-Y1621 AromaticContact NE2-CE2 3.8Å; H1601-Y1621 AromaticContact NE2-CZ 3.59Å; H1601-Y1621 PolarHBondContact NE2-OH 3.02Å; H1601-Y1621 VanDerWaalsContact NE2-OH 3.17Å
1602L90.4Very high86.4Confident0 Ų049.1 Ų49.10%024%0.243CC..EExtended strand (participates in β ladder)trans-80.8124.5-175.9-35.1177.9000110.4I1567 E1569 G1570 N1571 F1576 I1585 Y1600 H1619 V1620 V1622I1567-L1602 HydrophobicContact CD1-CB 3.95Å; I1567-L1602 HydrophobicContact CD1-CD1 4.17Å; I1567-L1602 HydrophobicContact CD1-CG 4.48Å; I1567-L1602 HydrophobicContact CG1-CB 4.16Å; I1567-L1602 HydrophobicContact CG2-CB 4.05Å; I1567-L1602 HydrophobicContact CG2-CD2 4.38Å; E1569-L1602 CarbonylContact O-C 3.58Å; E1569-L1602 WeakPolarHBondContact O-CA 3.34Å; G1570-L1602 VanDerWaalsContact O-CD2 3.26Å; G1570-L1602 WeakPolarHBondContact O-CD2 3.4Å; N1571-L1602 HydrophobicContact CB-CB 4.16Å; N1571-L1602 HydrophobicContact CB-CD1 4.25Å; N1571-L1602 HydrophobicContact CB-CD2 3.99Å; N1571-L1602 HydrophobicContact CB-CG 4.27Å; F1576-L1602 HydrophobicContact CB-CD1 4.35Å; F1576-L1602 HydrophobicContact CD2-CD1 4.08Å; F1576-L1602 HydrophobicContact CD2-CD2 4.07Å; F1576-L1602 HydrophobicContact CG-CD1 4.27Å; I1585-L1602 HydrophobicContact CD1-CD1 4.06Å; I1585-L1602 HydrophobicContact CG2-CD1 4.09Å; Y1600-L1602 HydrophobicContact CD1-CD2 4.39Å; Y1600-L1602 HydrophobicContact CG-CD2 4.32Å; L1602-H1619 CarbonylContact O-C 3.5Å; L1602-H1619 VanDerWaalsContact O-C 3.23Å; L1602-H1619 WeakPolarHBondContact O-CA 3.25Å; L1602-V1620 HydrophobicContact CB-CB 4.06Å; L1602-V1620 HydrophobicContact CB-CG1 4.25Å; L1602-V1620 HydrophobicContact CB-CG2 4.1Å; L1602-V1620 HydrophobicContact CD1-CB 4.21Å; L1602-V1620 HydrophobicContact CD1-CG1 4.2Å; L1602-V1620 HydrophobicContact CD1-CG2 4.43Å; L1602-V1620 HydrophobicContact CG-CB 4.03Å; L1602-V1620 HydrophobicContact CG-CG1 3.62Å; L1602-V1620 HydrophobicContact CG-CG2 4.35Å; L1602-V1620 PolarHBondContact N-O 3Å; L1602-V1620 VanDerWaalsContact O-CB 3.32Å; L1602-V1620 WeakPolarHBondContact O-CB 3.21Å; L1602-V1620 WeakPolarHBondContact O-CG2 3.38Å; L1602-V1620 PolarHBondContact O-N 3.03Å; L1602-V1622 HydrophobicContact CD1-CG2 4.07Å; L1602-V1622 HydrophobicContact CD2-CG2 4.11Å; L1602-V1622 HydrophobicContact CG-CG2 4.33Å
1603V90.9Very high86.5Confident14.8 Ų14.852.7 Ų52.79%0.0927%0.265CS..EExtended strand (participates in β ladder)trans-92.7131166.7-175.70000108.2I1567 T1568 E1569 H1601 T1618 H1619I1567-V1603 CarbonylContact C-O 3.44Å; I1567-V1603 WeakPolarHBondContact CA-O 3.4Å; I1567-V1603 WeakPolarHBondContact CG2-O 3.42Å; T1568-V1603 PolarHBondContact N-O 3.03Å; T1568-V1603 PolarHBondContact OG1-O 2.9Å; E1569-V1603 HydrophobicContact CB-CB 3.9Å; E1569-V1603 HydrophobicContact CB-CG2 3.85Å; E1569-V1603 HydrophobicContact CG-CB 4.23Å; E1569-V1603 HydrophobicContact CG-CG1 4.36Å; E1569-V1603 HydrophobicContact CG-CG2 4.34Å; E1569-V1603 PolarHBondContact N-O 2.73Å; E1569-V1603 PolarHBondContact O-N 2.93Å; E1569-V1603 WeakPolarHBondContact OE2-CG2 3.28Å; H1601-V1603 PolarHBondContact O-N 2.99Å; H1601-V1603 VanDerWaalsContact O-N 3.09Å; V1603-T1618 CarbonylContact C-O 3.53Å; V1603-T1618 WeakPolarHBondContact CA-O 3.38Å; V1603-T1618 VanDerWaalsContact CG1-O 3.27Å; V1603-T1618 WeakPolarHBondContact CG1-O 3.49Å; V1603-H1619 WeakPolarHBondContact CG2-ND1 3.33Å
1604V90.8Very high86.7Confident0 Ų052.7 Ų52.70%027%0.265CS..EExtended strand (participates in β ladder)trans-116.8129.3-177.8170.30000109.7V1550 Y1566 I1567 T1568 M1578 I1585 V1606 T1617 T1618 V1620V1550-V1604 HydrophobicContact CB-CG1 4.28Å; V1550-V1604 HydrophobicContact CG1-CG1 4.14Å; V1550-V1604 HydrophobicContact CG2-CG1 4.14Å; V1550-V1604 HydrophobicContact CG2-CG2 4.38Å; Y1566-V1604 CarbonylContact O-C 3.49Å; Y1566-V1604 VanDerWaalsContact O-CA 3.25Å; Y1566-V1604 WeakPolarHBondContact O-CA 3.33Å; Y1566-V1604 WeakPolarHBondContact O-CB 3.2Å; Y1566-V1604 VanDerWaalsContact O-CG1 3.24Å; Y1566-V1604 WeakPolarHBondContact O-CG1 3Å; I1567-V1604 HydrophobicContact CB-CG2 4.44Å; I1567-V1604 HydrophobicContact CG1-CG2 4.15Å; T1568-V1604 WeakPolarHBondContact OG1-CA 3.4Å; T1568-V1604 PolarHBondContact OG1-N 3.09Å; M1578-V1604 HydrophobicContact CE-CB 4.18Å; M1578-V1604 HydrophobicContact CE-CG1 3.54Å; M1578-V1604 VanDerWaalsContact CE-CG1 3.46Å; M1578-V1604 HydrophobicContact CE-CG2 3.8Å; M1578-V1604 HydrophobicContact SD-CG1 3.85Å; M1578-V1604 HydrophobicContact SD-CG2 4.2Å; I1585-V1604 HydrophobicContact CD1-CG2 3.98Å; V1604-V1606 HydrophobicContact CG1-CG2 4.49Å; V1604-T1617 CarbonylContact O-C 3.55Å; V1604-T1617 VanDerWaalsContact O-C 3.27Å; V1604-T1617 VanDerWaalsContact O-CA 3.28Å; V1604-T1617 WeakPolarHBondContact O-CA 3.28Å; V1604-T1617 VanDerWaalsContact O-CB 3.31Å; V1604-T1617 WeakPolarHBondContact O-CB 3.44Å; V1604-T1618 HydrophobicContact CB-CG2 3.94Å; V1604-T1618 HydrophobicContact CG1-CG2 4.21Å; V1604-T1618 HydrophobicContact CG2-CG2 4.39Å; V1604-T1618 PolarHBondContact N-O 3.05Å; V1604-T1618 PolarHBondContact O-N 3.13Å; V1604-V1620 HydrophobicContact CG2-CG2 3.94Å
1605T90.3Very high86.7Confident15.2 Ų15.254.4 Ų54.49%0.09328%0.282CS..EExtended strand (participates in β ladder)trans-115.1138.4174.3-53.30000109.3Y1566 T1568 E1607 A1616 T1617Y1566-T1605 PolarHBondContact N-O 2.93Å; Y1566-T1605 PolarHBondContact O-N 2.87Å; T1568-T1605 WeakPolarHBondContact CB-OG1 3.46Å; T1568-T1605 HydrophobicContact CG2-CG2 4.23Å; T1568-T1605 VanDerWaalsContact CG2-OG1 3.22Å; T1568-T1605 WeakPolarHBondContact CG2-OG1 3.43Å; T1568-T1605 WeakPolarHBondContact OG1-CB 3.22Å; T1568-T1605 PolarHBondContact OG1-N 2.86Å; T1568-T1605 VanDerWaalsContact OG1-N 3.1Å; T1568-T1605 PolarHBondContact OG1-OG1 2.82Å; T1568-T1605 VanDerWaalsContact OG1-OG1 3.1Å; T1605-E1607 HydrophobicContact CG2-CB 4.24Å; T1605-E1607 HydrophobicContact CG2-CG 3.96Å; T1605-A1616 CarbonylContact C-O 3.31Å; T1605-A1616 VanDerWaalsContact CA-O 3.27Å; T1605-A1616 WeakPolarHBondContact CA-O 3.43Å; T1605-A1616 WeakPolarHBondContact CG2-O 3.44Å; T1605-T1617 HydrophobicContact CG2-CG2 3.96Å; T1605-T1617 VanDerWaalsContact OG1-CG2 3.25Å; T1605-T1617 WeakPolarHBondContact OG1-CG2 3.39Å
1606V90.8Very high86.9Confident0.2 Ų0.252.8 Ų52.80%0.00128%0.279CS..EExtended strand (participates in β ladder)trans-117.7124.2167.9-1700000107.6P1525 I1527 V1550 A1552 L1563 S1564 Y1565 V1604 S1615 A1616P1525-V1606 HydrophobicContact CB-CG1 4.3Å; I1527-V1606 HydrophobicContact CD1-CB 4.22Å; I1527-V1606 HydrophobicContact CD1-CG2 3.84Å; I1527-V1606 HydrophobicContact CG1-CB 4.21Å; I1527-V1606 HydrophobicContact CG1-CG2 3.9Å; I1527-V1606 VanDerWaalsContact CG1-CG2 3.48Å; V1550-V1606 HydrophobicContact CG1-CG2 4.37Å; A1552-V1606 HydrophobicContact CB-CB 4.22Å; A1552-V1606 HydrophobicContact CB-CG1 3.88Å; A1552-V1606 HydrophobicContact CB-CG2 4.09Å; L1563-V1606 HydrophobicContact CB-CG1 4.01Å; L1563-V1606 HydrophobicContact CD1-CG1 4.08Å; L1563-V1606 VanDerWaalsContact CD1-CG1 3.5Å; L1563-V1606 HydrophobicContact CD2-CG1 3.99Å; L1563-V1606 VanDerWaalsContact CD2-CG1 3.47Å; L1563-V1606 HydrophobicContact CG-CG1 4.28Å; S1564-V1606 VanDerWaalsContact O-CA 3.29Å; S1564-V1606 WeakPolarHBondContact O-CA 3.34Å; Y1565-V1606 HydrophobicContact CD1-CB 4.31Å; Y1565-V1606 HydrophobicContact CD1-CG1 3.98Å; Y1565-V1606 HydrophobicContact CD1-CG2 3.45Å; Y1565-V1606 VanDerWaalsContact CD1-CG2 3.45Å; Y1565-V1606 HydrophobicContact CD2-CB 4.41Å; Y1565-V1606 HydrophobicContact CD2-CG1 4.29Å; Y1565-V1606 HydrophobicContact CD2-CG2 3.55Å; Y1565-V1606 HydrophobicContact CE1-CB 4.38Å; Y1565-V1606 HydrophobicContact CE1-CG1 3.81Å; Y1565-V1606 HydrophobicContact CE1-CG2 3.6Å; Y1565-V1606 HydrophobicContact CE2-CG1 4.35Å; Y1565-V1606 HydrophobicContact CE2-CG2 4.42Å; Y1565-V1606 HydrophobicContact CG-CG1 4.31Å; Y1565-V1606 HydrophobicContact CG-CG2 4.19Å; V1604-V1606 HydrophobicContact CG1-CG2 4.49Å; V1606-S1615 CarbonylContact O-C 3.54Å; V1606-S1615 VanDerWaalsContact O-CA 3.26Å; V1606-S1615 WeakPolarHBondContact O-CA 3.35Å; V1606-S1615 VanDerWaalsContact O-CB 3.27Å; V1606-S1615 WeakPolarHBondContact O-CB 3.43Å; V1606-A1616 PolarHBondContact N-O 3.08Å; V1606-A1616 PolarHBondContact O-N 2.98Å
1607E89.9Confident87.3Confident57.2 Ų57.248.4 Ų48.427%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-124.7149.3178.823-169.916100110.3P1525 L1563 S1564 Y1566 T1605 T1613 L1614P1525-E1607 VanDerWaalsContact CG-C 3.41Å; L1563-E1607 CarbonylContact C-O 3.51Å; L1563-E1607 WeakPolarHBondContact CA-O 3.31Å; L1563-E1607 WeakPolarHBondContact CD2-O 3.4Å; S1564-E1607 PolarHBondContact N-O 2.87Å; S1564-E1607 PolarHBondContact O-N 2.89Å; S1564-E1607 VanDerWaalsContact O-N 3.09Å; Y1566-E1607 HydrophobicContact CD2-CG 4.19Å; Y1566-E1607 HydrophobicContact CE2-CB 4.31Å; Y1566-E1607 HydrophobicContact CE2-CG 3.86Å; Y1566-E1607 WeakPolarHBondContact CE2-OE1 3.32Å; T1605-E1607 HydrophobicContact CG2-CB 4.24Å; T1605-E1607 HydrophobicContact CG2-CG 3.96Å; E1607-T1613 WeakPolarHBondContact OE2-CB 3.47Å; E1607-T1613 PolarHBondContact OE2-OG1 2.93Å; E1607-L1614 CarbonylContact C-O 3.46Å; E1607-L1614 VanDerWaalsContact CA-O 3.24Å; E1607-L1614 WeakPolarHBondContact CA-O 3.4Å; E1607-L1614 WeakPolarHBondContact CB-O 3.41Å
1608D89Confident87.6Confident0.6 Ų0.645.2 Ų45.20%0.00326%0.257CS..EExtended strand (participates in β ladder)trans-77.7168.916163.963.8000110.3N1521 P1525 N1560 V1562 L1563 G1610 T1613 L1614N1521-D1608 VanDerWaalsContact ND2-CG 3.26Å; N1521-D1608 PolarHBondContact ND2-OD1 3.09Å; N1521-D1608 VanDerWaalsContact ND2-OD1 3.09Å; N1521-D1608 PolarHBondContact ND2-OD2 3.31Å; P1525-D1608 VanDerWaalsContact CD-OD2 3.32Å; P1525-D1608 WeakPolarHBondContact CD-OD2 3.46Å; P1525-D1608 HydrophobicContact CG-CB 4.15Å; N1560-D1608 WeakPolarHBondContact O-CB 3.25Å; V1562-D1608 CarbonylContact O-C 3.46Å; V1562-D1608 WeakPolarHBondContact O-CA 3.34Å; L1563-D1608 HydrophobicContact CD2-CB 4.32Å; D1608-G1610 VanDerWaalsContact C-N 3.35Å; D1608-G1610 PolarHBondContact O-N 2.89Å; D1608-G1610 VanDerWaalsContact OD1-CA 3.27Å; D1608-G1610 WeakPolarHBondContact OD1-CA 3.34Å; D1608-G1610 PolarHBondContact OD1-N 2.92Å; D1608-T1613 WeakPolarHBondContact O-CB 3.32Å; D1608-T1613 VanDerWaalsContact O-CG2 3.26Å; D1608-T1613 WeakPolarHBondContact O-CG2 3.28Å; D1608-T1613 VanDerWaalsContact OD1-CA 3.27Å; D1608-T1613 WeakPolarHBondContact OD1-CA 3.29Å; D1608-L1614 VanDerWaalsContact CG-N 3.33Å; D1608-L1614 PolarHBondContact N-O 2.84Å; D1608-L1614 VanDerWaalsContact N-O 3.16Å; D1608-L1614 PolarHBondContact OD1-N 3.22Å; D1608-L1614 VanDerWaalsContact OD2-CA 3.26Å; D1608-L1614 WeakPolarHBondContact OD2-CA 3.33Å; D1608-L1614 VanDerWaalsContact OD2-CB 3.23Å; D1608-L1614 WeakPolarHBondContact OD2-CB 3.31Å; D1608-L1614 WeakPolarHBondContact OD2-CG 3.15Å; D1608-L1614 PolarHBondContact OD2-N 3Å; D1608-L1614 VanDerWaalsContact OD2-N 3.08Å; D1608-L1614 VanDerWaalsContact OD2-O 3.07Å
1609E84.5Confident87.9Confident67 Ų6744.2 Ų44.231%0.31325%0.249SC..SBendtrans-98.916.6175.7-60.7-81.4144.700112.2I1559 V1562 S1564 R1580I1559-E1609 HydrophobicContact CB-CB 4.28Å; I1559-E1609 WeakPolarHBondContact CB-O 3.27Å; I1559-E1609 HydrophobicContact CD1-CB 4.21Å; I1559-E1609 HydrophobicContact CG1-CB 3.49Å; I1559-E1609 VanDerWaalsContact CG1-CB 3.49Å; I1559-E1609 WeakPolarHBondContact CG1-O 3.37Å; I1559-E1609 CarbonylContact O-C 3.47Å; I1559-E1609 WeakPolarHBondContact O-CA 3.23Å; I1559-E1609 WeakPolarHBondContact O-CB 3.38Å; I1559-E1609 PolarHBondContact O-N 2.9Å; I1559-E1609 VanDerWaalsContact O-N 3.09Å; V1562-E1609 HydrophobicContact CB-CB 4.37Å; V1562-E1609 HydrophobicContact CB-CG 4.36Å; V1562-E1609 HydrophobicContact CG1-CG 3.95Å; V1562-E1609 WeakPolarHBondContact O-CG 3.36Å; V1562-E1609 PolarHBondContact O-N 2.87Å; V1562-E1609 VanDerWaalsContact O-N 3.12Å; S1564-E1609 VanDerWaalsContact CB-OE1 3.29Å; S1564-E1609 WeakPolarHBondContact CB-OE1 3.31Å; S1564-E1609 PolarHBondContact OG-OE1 2.96Å; R1580-E1609 IonicContact CZ-OE1 3.27Å; R1580-E1609 VanDerWaalsContact CZ-OE1 3.24Å; R1580-E1609 IonicContact CZ-OE2 3.48Å; R1580-E1609 VanDerWaalsContact CZ-OE2 3.24Å; R1580-E1609 IonicContact NE-OE1 3.54Å; R1580-E1609 VanDerWaalsContact NH1-CD 3.33Å; R1580-E1609 IonicContact NH1-OE1 2.82Å; R1580-E1609 PolarHBondContact NH1-OE1 3.04Å; R1580-E1609 IonicContact NH1-OE2 3.24Å; R1580-E1609 PolarHBondContact NH1-OE2 3.22Å; R1580-E1609 IonicContact NH2-OE1 3.37Å; R1580-E1609 PolarHBondContact NH2-OE1 3.24Å; R1580-E1609 IonicContact NH2-OE2 2.66Å; R1580-E1609 PolarHBondContact NH2-OE2 2.93Å
1610G81.8Confident88Confident1 Ų139.7 Ų39.71%0.0123%0.229CC..SBendtrans-74.6-179.8-176.400000114.8N1521 I1559 N1560 D1608 P1612 T1613N1521-G1610 WeakPolarHBondContact ND2-CA 3.2Å; I1559-G1610 WeakPolarHBondContact O-CA 3.24Å; I1559-G1610 PolarHBondContact O-N 3.31Å; N1560-G1610 VanDerWaalsContact OD1-CA 3.27Å; N1560-G1610 WeakPolarHBondContact OD1-CA 3.38Å; D1608-G1610 VanDerWaalsContact C-N 3.35Å; D1608-G1610 PolarHBondContact O-N 2.89Å; D1608-G1610 VanDerWaalsContact OD1-CA 3.27Å; D1608-G1610 WeakPolarHBondContact OD1-CA 3.34Å; D1608-G1610 PolarHBondContact OD1-N 2.92Å; G1610-P1612 CarbonylContact C-O 3.52Å; G1610-P1612 CarbonylContact O-C 3.52Å; G1610-P1612 VanDerWaalsContact O-C 3.28Å; G1610-T1613 VanDerWaalsContact O-CA 3.23Å; G1610-T1613 WeakPolarHBondContact O-CA 3.31Å; G1610-T1613 WeakPolarHBondContact O-CG2 3.33Å; G1610-T1613 PolarHBondContact O-N 3.11Å; G1610-T1613 VanDerWaalsContact O-N 3.09Å
1611T76.8Confident88.1Confident123.4 Ų123.443.3 Ų43.376%0.75724%0.244SC*.SBendtrans-134.3106.7177.447.90000112.7N1521 I1559 N1560N1521-T1611 WeakPolarHBondContact CB-O 3.21Å; I1559-T1611 HydrophobicContact CD1-CG2 4.01Å; N1560-T1611 PolarHBondContact OD1-N 3.07Å
1612P80.2Confident88Confident101.2 Ų101.240 Ų4066%0.65723%0.228SC*.SBendcis-71.5144.3-0.131.6-35.3000112.6N1521 G1610 L1614N1521-P1612 PolarHBondContact ND2-O 3.09Å; G1610-P1612 CarbonylContact C-O 3.52Å; G1610-P1612 CarbonylContact O-C 3.52Å; G1610-P1612 VanDerWaalsContact O-C 3.28Å; P1612-L1614 WeakPolarHBondContact O-CD2 3.45Å; P1612-L1614 VanDerWaalsContact O-CG 3.3Å; P1612-L1614 WeakPolarHBondContact O-CG 3.11Å; P1612-L1614 PolarHBondContact O-N 2.78Å
1613T85.3Confident87.9Confident76.2 Ų76.243.1 Ų43.147%0.46725%0.247SC..  trans-63.1137174.754.10000111.2E1607 D1608 G1610E1607-T1613 WeakPolarHBondContact OE2-CB 3.47Å; E1607-T1613 PolarHBondContact OE2-OG1 2.93Å; D1608-T1613 WeakPolarHBondContact O-CB 3.32Å; D1608-T1613 VanDerWaalsContact O-CG2 3.26Å; D1608-T1613 WeakPolarHBondContact O-CG2 3.28Å; D1608-T1613 VanDerWaalsContact OD1-CA 3.27Å; D1608-T1613 WeakPolarHBondContact OD1-CA 3.29Å; G1610-T1613 VanDerWaalsContact O-CA 3.23Å; G1610-T1613 WeakPolarHBondContact O-CA 3.31Å; G1610-T1613 WeakPolarHBondContact O-CG2 3.33Å; G1610-T1613 PolarHBondContact O-N 3.11Å; G1610-T1613 VanDerWaalsContact O-N 3.09Å
1614L87.8Confident87.7Confident50.2 Ų50.242.8 Ų42.826%0.26325%0.245SC..  trans-107.4154.2170.7-47.6169.4000109.3N1521 P1524 P1525 E1607 D1608 P1612N1521-L1614 WeakPolarHBondContact ND2-CG 3.23Å; N1521-L1614 PolarHBondContact ND2-N 3.11Å; P1524-L1614 HydrophobicContact CB-CB 3.74Å; P1524-L1614 VanDerWaalsContact CB-CB 3.45Å; P1524-L1614 HydrophobicContact CB-CD1 3.92Å; P1524-L1614 HydrophobicContact CB-CG 4Å; P1524-L1614 HydrophobicContact CG-CD1 4.27Å; P1525-L1614 VanDerWaalsContact CD-O 3.26Å; P1525-L1614 WeakPolarHBondContact CD-O 3.36Å; P1525-L1614 VanDerWaalsContact CG-O 3.29Å; P1525-L1614 WeakPolarHBondContact CG-O 3.36Å; E1607-L1614 CarbonylContact C-O 3.46Å; E1607-L1614 VanDerWaalsContact CA-O 3.24Å; E1607-L1614 WeakPolarHBondContact CA-O 3.4Å; E1607-L1614 WeakPolarHBondContact CB-O 3.41Å; D1608-L1614 VanDerWaalsContact CG-N 3.33Å; D1608-L1614 PolarHBondContact N-O 2.84Å; D1608-L1614 VanDerWaalsContact N-O 3.16Å; D1608-L1614 PolarHBondContact OD1-N 3.22Å; D1608-L1614 VanDerWaalsContact OD2-CA 3.26Å; D1608-L1614 WeakPolarHBondContact OD2-CA 3.33Å; D1608-L1614 VanDerWaalsContact OD2-CB 3.23Å; D1608-L1614 WeakPolarHBondContact OD2-CB 3.31Å; D1608-L1614 WeakPolarHBondContact OD2-CG 3.15Å; D1608-L1614 PolarHBondContact OD2-N 3Å; D1608-L1614 VanDerWaalsContact OD2-N 3.08Å; D1608-L1614 VanDerWaalsContact OD2-O 3.07Å; P1612-L1614 WeakPolarHBondContact O-CD2 3.45Å; P1612-L1614 VanDerWaalsContact O-CG 3.3Å; P1612-L1614 WeakPolarHBondContact O-CG 3.11Å; P1612-L1614 PolarHBondContact O-N 2.78Å
1615S89.6Confident87.5Confident69 Ų6945.8 Ų45.848%0.48326%0.263SS..EExtended strand (participates in β ladder)trans-154156.4-171.5630000114.5V1606V1606-S1615 CarbonylContact O-C 3.54Å; V1606-S1615 VanDerWaalsContact O-CA 3.26Å; V1606-S1615 WeakPolarHBondContact O-CA 3.35Å; V1606-S1615 VanDerWaalsContact O-CB 3.27Å; V1606-S1615 WeakPolarHBondContact O-CB 3.43Å
1616A88.6Confident87.3Confident25.2 Ų25.246.8 Ų46.821%0.20827%0.268CS..EExtended strand (participates in β ladder)trans-134.9152.4174.300000111.4P1525 I1527 T1605 V1606P1525-A1616 VanDerWaalsContact O-CB 3.25Å; P1525-A1616 WeakPolarHBondContact O-CB 3.28Å; I1527-A1616 HydrophobicContact CB-CB 4.12Å; I1527-A1616 VanDerWaalsContact CD1-C 3.46Å; I1527-A1616 HydrophobicContact CD1-CB 3.82Å; I1527-A1616 WeakPolarHBondContact CD1-O 3.38Å; I1527-A1616 HydrophobicContact CG1-CB 4Å; T1605-A1616 CarbonylContact C-O 3.31Å; T1605-A1616 VanDerWaalsContact CA-O 3.27Å; T1605-A1616 WeakPolarHBondContact CA-O 3.43Å; T1605-A1616 WeakPolarHBondContact CG2-O 3.44Å; V1606-A1616 PolarHBondContact N-O 3.08Å; V1606-A1616 PolarHBondContact O-N 2.98Å
1617T90Very high87Confident84.8 Ų84.851.2 Ų51.252%0.5229%0.288SS..EExtended strand (participates in β ladder)trans-129.1152.1-175.957.50000114V1604 T1605V1604-T1617 CarbonylContact O-C 3.55Å; V1604-T1617 VanDerWaalsContact O-C 3.27Å; V1604-T1617 VanDerWaalsContact O-CA 3.28Å; V1604-T1617 WeakPolarHBondContact O-CA 3.28Å; V1604-T1617 VanDerWaalsContact O-CB 3.31Å; V1604-T1617 WeakPolarHBondContact O-CB 3.44Å; T1605-T1617 HydrophobicContact CG2-CG2 3.96Å; T1605-T1617 VanDerWaalsContact OG1-CG2 3.25Å; T1605-T1617 WeakPolarHBondContact OG1-CG2 3.39Å
1618T90.5Very high86.8Confident1.4 Ų1.449.9 Ų49.91%0.00928%0.283CS..EExtended strand (participates in β ladder)trans-148.7175.6173.3-165.30000112I1527 S1529 P1530 F1531 G1532 Y1533 V1550 V1603 V1604I1527-T1618 HydrophobicContact CD1-CG2 4.11Å; I1527-T1618 HydrophobicContact CG2-CG2 4.22Å; S1529-T1618 VanDerWaalsContact O-CB 3.26Å; S1529-T1618 WeakPolarHBondContact O-CB 3.15Å; S1529-T1618 VanDerWaalsContact O-CG2 3.31Å; S1529-T1618 WeakPolarHBondContact O-CG2 3.29Å; S1529-T1618 PolarHBondContact O-OG1 2.99Å; P1530-T1618 WeakPolarHBondContact O-CB 3.33Å; P1530-T1618 PolarHBondContact O-OG1 2.83Å; F1531-T1618 PolarHBondContact N-OG1 3.06Å; G1532-T1618 WeakPolarHBondContact CA-OG1 3.19Å; G1532-T1618 PolarHBondContact N-OG1 3.04Å; Y1533-T1618 HydrophobicContact CD2-CG2 4.46Å; Y1533-T1618 HydrophobicContact CE2-CG2 4.17Å; V1550-T1618 HydrophobicContact CG1-CG2 3.94Å; V1550-T1618 HydrophobicContact CG2-CG2 3.77Å; V1603-T1618 CarbonylContact C-O 3.53Å; V1603-T1618 WeakPolarHBondContact CA-O 3.38Å; V1603-T1618 VanDerWaalsContact CG1-O 3.27Å; V1603-T1618 WeakPolarHBondContact CG1-O 3.49Å; V1604-T1618 HydrophobicContact CB-CG2 3.94Å; V1604-T1618 HydrophobicContact CG1-CG2 4.21Å; V1604-T1618 HydrophobicContact CG2-CG2 4.39Å; V1604-T1618 PolarHBondContact N-O 3.05Å; V1604-T1618 PolarHBondContact O-N 3.13Å
1619H91.1Very high86.6Confident72.4 Ų72.453.3 Ų53.334%0.33530%0.302SS..EExtended strand (participates in β ladder)trans-124.2145.3-175.1-59-24.7000112.9G1532 Y1533 H1601 L1602 V1603 Y1621G1532-H1619 CarbonylContact C-O 3.51Å; G1532-H1619 WeakPolarHBondContact CA-O 3.25Å; Y1533-H1619 VanDerWaalsContact CD2-O 3.27Å; Y1533-H1619 WeakPolarHBondContact CD2-O 3.32Å; Y1533-H1619 PolarHBondContact N-O 3.2Å; H1601-H1619 AromaticContact CE1-CD2 3.76Å; H1601-H1619 AromaticContact CE1-ND1 4Å; H1601-H1619 AromaticContact NE2-CD2 3.57Å; H1601-H1619 PolarHBondContact NE2-CD2 3.23Å; H1601-H1619 VanDerWaalsContact NE2-CD2 3.29Å; H1601-H1619 AromaticContact NE2-CE1 3.83Å; H1601-H1619 AromaticContact NE2-CG 3.56Å; H1601-H1619 VanDerWaalsContact NE2-CG 3.27Å; H1601-H1619 AromaticContact NE2-ND1 3.28Å; H1601-H1619 PolarHBondContact NE2-ND1 2.87Å; H1601-H1619 VanDerWaalsContact NE2-ND1 3.16Å; L1602-H1619 CarbonylContact O-C 3.5Å; L1602-H1619 VanDerWaalsContact O-C 3.23Å; L1602-H1619 WeakPolarHBondContact O-CA 3.25Å; V1603-H1619 WeakPolarHBondContact CG2-ND1 3.33Å; H1619-Y1621 HydrophobicContact CB-CD2 4.44Å; H1619-Y1621 HydrophobicContact CB-CE2 3.9Å
1620V90.3Very high86.5Confident0.2 Ų0.252.2 Ų52.20%0.00130%0.298CS..EExtended strand (participates in β ladder)trans-131.5125.6175.5-177.40000109.7Y1533 V1535 V1548 V1550 I1585 H1601 L1602 V1604 V1622Y1533-V1620 HydrophobicContact CD2-CG2 3.95Å; Y1533-V1620 HydrophobicContact CE2-CG2 4.49Å; Y1533-V1620 HydrophobicContact CG-CG2 4.47Å; Y1533-V1620 CarbonylContact O-C 3.49Å; Y1533-V1620 WeakPolarHBondContact O-CA 3.28Å; V1535-V1620 HydrophobicContact CG2-CG1 3.96Å; V1548-V1620 HydrophobicContact CG1-CG1 3.79Å; V1548-V1620 HydrophobicContact CG1-CG2 4.21Å; V1550-V1620 HydrophobicContact CG2-CG2 4.26Å; I1585-V1620 HydrophobicContact CD1-CB 4.36Å; I1585-V1620 HydrophobicContact CD1-CG1 4.33Å; I1585-V1620 HydrophobicContact CD1-CG2 3.94Å; H1601-V1620 CarbonylContact C-O 3.57Å; H1601-V1620 VanDerWaalsContact CA-O 3.24Å; H1601-V1620 WeakPolarHBondContact CA-O 3.49Å; H1601-V1620 PolarHBondContact CD2-O 2.97Å; H1601-V1620 VanDerWaalsContact CD2-O 3.28Å; L1602-V1620 HydrophobicContact CB-CB 4.06Å; L1602-V1620 HydrophobicContact CB-CG1 4.25Å; L1602-V1620 HydrophobicContact CB-CG2 4.1Å; L1602-V1620 HydrophobicContact CD1-CB 4.21Å; L1602-V1620 HydrophobicContact CD1-CG1 4.2Å; L1602-V1620 HydrophobicContact CD1-CG2 4.43Å; L1602-V1620 HydrophobicContact CG-CB 4.03Å; L1602-V1620 HydrophobicContact CG-CG1 3.62Å; L1602-V1620 HydrophobicContact CG-CG2 4.35Å; L1602-V1620 PolarHBondContact N-O 3Å; L1602-V1620 VanDerWaalsContact O-CB 3.32Å; L1602-V1620 WeakPolarHBondContact O-CB 3.21Å; L1602-V1620 WeakPolarHBondContact O-CG2 3.38Å; L1602-V1620 PolarHBondContact O-N 3.03Å; V1604-V1620 HydrophobicContact CG2-CG2 3.94Å; V1620-V1622 HydrophobicContact CG1-CG2 3.99Å
1621Y90.2Very high86.7Confident80.4 Ų80.454 Ų5432%0.31531%0.313SS..EExtended strand (participates in β ladder)trans-108.3122.6176.5-58.3-87.6000110.8Y1533 N1534 V1535 F1599 Y1600 H1601 H1619Y1533-Y1621 PolarHBondContact O-N 3.04Å; N1534-Y1621 CarbonylContact C-O 3.53Å; N1534-Y1621 WeakPolarHBondContact OD1-CB 3.41Å; N1534-Y1621 VanDerWaalsContact OD1-CD2 3.24Å; N1534-Y1621 WeakPolarHBondContact OD1-CD2 3.31Å; V1535-Y1621 WeakPolarHBondContact CG2-O 3.5Å; V1535-Y1621 PolarHBondContact N-O 2.91Å; F1599-Y1621 HydrophobicContact CE1-CD1 4.42Å; F1599-Y1621 AromaticContact CZ-CD1 3.87Å; F1599-Y1621 HydrophobicContact CZ-CD1 3.98Å; Y1600-Y1621 CarbonylContact O-C 3.46Å; Y1600-Y1621 WeakPolarHBondContact O-CA 3.06Å; H1601-Y1621 HydrophobicContact CB-CD1 4.03Å; H1601-Y1621 HydrophobicContact CB-CE1 4.06Å; H1601-Y1621 HydrophobicContact CB-CG 4.4Å; H1601-Y1621 AromaticContact CD2-CD1 3.53Å; H1601-Y1621 VanDerWaalsContact CD2-CD1 3.42Å; H1601-Y1621 WeakPolarHBondContact CD2-CD1 3.28Å; H1601-Y1621 AromaticContact CD2-CD2 3.87Å; H1601-Y1621 AromaticContact CD2-CE1 3.12Å; H1601-Y1621 WeakPolarHBondContact CD2-CE1 3.36Å; H1601-Y1621 AromaticContact CD2-CE2 3.58Å; H1601-Y1621 AromaticContact CD2-CG 3.82Å; H1601-Y1621 AromaticContact CD2-CZ 3.58Å; H1601-Y1621 AromaticContact CE1-CE1 3.88Å; H1601-Y1621 AromaticContact CE1-CZ 3.96Å; H1601-Y1621 AromaticContact CG-CD1 3.78Å; H1601-Y1621 AromaticContact CG-CE1 3.43Å; H1601-Y1621 VanDerWaalsContact CG-CE1 3.41Å; H1601-Y1621 AromaticContact CG-CZ 3.87Å; H1601-Y1621 AromaticContact ND1-CE1 3.79Å; H1601-Y1621 AromaticContact NE2-CE1 3.54Å; H1601-Y1621 WeakPolarHBondContact NE2-CE1 3.29Å; H1601-Y1621 AromaticContact NE2-CE2 3.8Å; H1601-Y1621 AromaticContact NE2-CZ 3.59Å; H1601-Y1621 PolarHBondContact NE2-OH 3.02Å; H1601-Y1621 VanDerWaalsContact NE2-OH 3.17Å; H1619-Y1621 HydrophobicContact CB-CD2 4.44Å; H1619-Y1621 HydrophobicContact CB-CE2 3.9Å
1622V89.9Confident87.3Confident0.2 Ų0.248.1 Ų48.10%0.00128%0.277CS..EExtended strand (participates in β ladder)trans-119.9130.8-179.3-163.70000111V1535 V1537 V1547 F1576 F1599 Y1600 L1602 V1620 I1624V1535-V1622 HydrophobicContact CG2-CB 3.92Å; V1535-V1622 HydrophobicContact CG2-CG1 3.55Å; V1535-V1622 HydrophobicContact CG2-CG2 3.93Å; V1535-V1622 WeakPolarHBondContact O-CA 3.19Å; V1537-V1622 HydrophobicContact CB-CG1 4.29Å; V1537-V1622 HydrophobicContact CG2-CG1 3.87Å; V1547-V1622 HydrophobicContact CG1-CG1 4.2Å; V1547-V1622 HydrophobicContact CG1-CG2 4.14Å; F1576-V1622 HydrophobicContact CD2-CG2 3.91Å; F1576-V1622 HydrophobicContact CE1-CG1 4.2Å; F1576-V1622 HydrophobicContact CE1-CG2 4.31Å; F1576-V1622 HydrophobicContact CE2-CB 3.68Å; F1576-V1622 HydrophobicContact CE2-CG1 3.89Å; F1576-V1622 HydrophobicContact CE2-CG2 3.43Å; F1576-V1622 VanDerWaalsContact CE2-CG2 3.43Å; F1576-V1622 HydrophobicContact CZ-CB 4.11Å; F1576-V1622 HydrophobicContact CZ-CG1 3.72Å; F1576-V1622 HydrophobicContact CZ-CG2 4.12Å; F1599-V1622 WeakPolarHBondContact CA-O 3.27Å; F1599-V1622 VanDerWaalsContact CD2-O 3.3Å; F1599-V1622 WeakPolarHBondContact CD2-O 3.24Å; F1599-V1622 WeakPolarHBondContact CE2-O 3.16Å; Y1600-V1622 HydrophobicContact CD2-CB 3.88Å; Y1600-V1622 HydrophobicContact CG-CB 4.21Å; Y1600-V1622 PolarHBondContact N-O 2.99Å; Y1600-V1622 PolarHBondContact O-N 3.09Å; L1602-V1622 HydrophobicContact CD1-CG2 4.07Å; L1602-V1622 HydrophobicContact CD2-CG2 4.11Å; L1602-V1622 HydrophobicContact CG-CG2 4.33Å; V1620-V1622 HydrophobicContact CG1-CG2 3.99Å; V1622-I1624 HydrophobicContact CG1-CD1 4.27Å
1623T87.7Confident87.6Confident64.2 Ų64.248 Ų4839%0.39427%0.274SS..EExtended strand (participates in β ladder)trans-112.5132.9175.2-35.70000110.8V1535 S1536 V1537 N1598 F1599V1535-T1623 PolarHBondContact O-N 3.01Å; V1535-T1623 PolarHBondContact O-OG1 2.81Å; S1536-T1623 CarbonylContact C-O 3.42Å; S1536-T1623 VanDerWaalsContact CA-O 3.29Å; S1536-T1623 WeakPolarHBondContact CA-O 3.33Å; S1536-T1623 WeakPolarHBondContact CA-OG1 3.2Å; S1536-T1623 VanDerWaalsContact CB-OG1 3.31Å; S1536-T1623 WeakPolarHBondContact CB-OG1 3.3Å; V1537-T1623 PolarHBondContact N-O 2.93Å; N1598-T1623 CarbonylContact O-C 3.49Å; N1598-T1623 WeakPolarHBondContact O-CA 3.35Å; N1598-T1623 WeakPolarHBondContact O-CG2 3.32Å; F1599-T1623 HydrophobicContact CD2-CG2 3.87Å; F1599-T1623 WeakPolarHBondContact CD2-OG1 3.24Å; F1599-T1623 HydrophobicContact CE2-CG2 3.91Å; F1599-T1623 WeakPolarHBondContact CE2-OG1 3.37Å
1624I87.7Confident87.7Confident8.6 Ų8.645.3 Ų45.34%0.04426%0.256CS..EExtended strand (participates in β ladder)trans-96.3138.2178.2-46.9-54.8000110.6V1537 E1539 F1576 P1592 R1594 Q1597 N1598 Y1600 V1622V1537-I1624 HydrophobicContact CB-CD1 4.2Å; V1537-I1624 CarbonylContact O-C 3.55Å; V1537-I1624 VanDerWaalsContact O-CA 3.26Å; V1537-I1624 WeakPolarHBondContact O-CA 3.37Å; E1539-I1624 HydrophobicContact CB-CG2 3.77Å; F1576-I1624 HydrophobicContact CZ-CD1 4.38Å; P1592-I1624 HydrophobicContact CB-CD1 3.7Å; P1592-I1624 HydrophobicContact CB-CG1 4.27Å; P1592-I1624 HydrophobicContact CB-CG2 4.18Å; P1592-I1624 HydrophobicContact CG-CD1 4.31Å; R1594-I1624 HydrophobicContact CB-CB 4.44Å; R1594-I1624 HydrophobicContact CB-CG2 3.95Å; R1594-I1624 HydrophobicContact CG-CB 4.38Å; R1594-I1624 HydrophobicContact CG-CG2 4.24Å; Q1597-I1624 WeakPolarHBondContact O-CB 3.38Å; Q1597-I1624 WeakPolarHBondContact O-CG1 3.17Å; N1598-I1624 PolarHBondContact O-N 3.19Å; Y1600-I1624 HydrophobicContact CD2-CD1 4.22Å; Y1600-I1624 HydrophobicContact CD2-CG1 4.23Å; Y1600-I1624 HydrophobicContact CE2-CD1 4.06Å; Y1600-I1624 HydrophobicContact CE2-CG1 3.89Å; V1622-I1624 HydrophobicContact CG1-CD1 4.27Å
1625V85.6Confident87.3Confident62.4 Ų62.448.9 Ų48.938%0.37827%0.271SS..EExtended strand (participates in β ladder)trans-109.2134.7-175.2-175.30000111.3V1537 E1539 R1594 E1627V1537-V1625 PolarHBondContact O-N 3.03Å; E1539-V1625 VanDerWaalsContact CB-O 3.28Å; E1539-V1625 WeakPolarHBondContact CB-O 3.29Å; E1539-V1625 WeakPolarHBondContact CG-O 3.17Å; E1539-V1625 PolarHBondContact N-O 3.1Å; E1539-V1625 VanDerWaalsContact N-O 3.11Å; E1539-V1625 VanDerWaalsContact OE2-O 3.08Å; R1594-V1625 VanDerWaalsContact CB-C 3.42Å; R1594-V1625 WeakPolarHBondContact CB-O 3.44Å; V1625-E1627 PolarHBondContact O-N 3.1Å
1626D85.6Confident86.7Confident38 Ų3850.1 Ų50.120%0.20327%0.269CS..PPolyproline II helixtrans-63.7130.3-177.7-170.884.3000114.9E1539 R1594 E1664 N1667E1539-D1626 VanDerWaalsContact OE1-CA 3.27Å; E1539-D1626 WeakPolarHBondContact OE1-CA 3.33Å; R1594-D1626 IonicContact CZ-OD1 3.02Å; R1594-D1626 IonicContact NE-OD1 3.5Å; R1594-D1626 PolarHBondContact NE-OD1 2.89Å; R1594-D1626 VanDerWaalsContact NE-OD1 3.11Å; R1594-D1626 IonicContact NH1-OD1 3.65Å; R1594-D1626 PolarHBondContact NH1-OD1 2.72Å; R1594-D1626 IonicContact NH2-OD1 3.22Å; R1594-D1626 PolarHBondContact NH2-OD1 3.24Å; D1626-E1664 HydrophobicContact CB-CB 4.14Å; D1626-E1664 VanDerWaalsContact CG-N 3.27Å; D1626-E1664 VanDerWaalsContact OD1-CB 3.28Å; D1626-E1664 WeakPolarHBondContact OD1-CB 3.35Å; D1626-E1664 PolarHBondContact OD1-N 2.93Å; D1626-E1664 PolarHBondContact OD2-N 2.84Å; D1626-N1667 WeakPolarHBondContact OD2-CB 3.45Å; D1626-N1667 PolarHBondContact OD2-ND2 3.17Å
1627E84.3Confident86.2Confident90.6 Ų90.654 Ų5442%0.42329%0.292SS..  trans-117.9162.3163.6-67.1-107.5162.700110.6N1538 E1539 V1625 D1629 N1667N1538-E1627 HydrophobicContact CB-CG 4.02Å; N1538-E1627 WeakPolarHBondContact CB-OE1 3.3Å; N1538-E1627 PolarHBondContact ND2-OE1 2.98Å; E1539-E1627 HydrophobicContact CG-CB 3.92Å; E1539-E1627 HydrophobicContact CG-CG 4.1Å; E1539-E1627 PolarHBondContact OE1-N 2.89Å; V1625-E1627 PolarHBondContact O-N 3.1Å; E1627-D1629 VanDerWaalsContact C-N 3.34Å; E1627-D1629 PolarHBondContact O-N 3.21Å; E1627-N1667 PolarHBondContact O-ND2 3.31Å
1628N86.4Confident85.8Confident31 Ų3154.9 Ų54.917%0.16629%0.29CS..SBendtrans-91.375.5-178.6-168.3113.2000110.8D1663 N1667 D1715 C1717 H1722 L1724N1628-D1663 VanDerWaalsContact C-OD2 3.24Å; N1628-D1663 VanDerWaalsContact CA-OD2 3.24Å; N1628-D1663 WeakPolarHBondContact CA-OD2 3.27Å; N1628-D1663 PolarHBondContact ND2-OD2 2.69Å; N1628-D1663 VanDerWaalsContact ND2-OD2 3.16Å; N1628-D1663 PolarHBondContact OD1-OD2 2.77Å; N1628-N1667 HydrophobicContact CB-CB 4.21Å; N1628-N1667 WeakPolarHBondContact CB-ND2 3.3Å; N1628-N1667 VanDerWaalsContact OD1-CA 3.24Å; N1628-N1667 WeakPolarHBondContact OD1-CA 3.28Å; N1628-N1667 WeakPolarHBondContact OD1-CB 3.37Å; N1628-N1667 PolarHBondContact OD1-ND2 2.66Å; N1628-N1667 PolarHBondContact OD1-O 2.82Å; N1628-N1667 PolarHBondContact OD1-OD1 2.95Å; N1628-N1667 VanDerWaalsContact OD1-OD1 3.07Å; N1628-D1715 PolarHBondContact ND2-OD2 2.89Å; N1628-D1715 PolarHBondContact OD1-OD2 2.9Å; N1628-C1717 HydrophobicContact CB-CB 4.46Å; N1628-C1717 VanDerWaalsContact OD1-CB 3.26Å; N1628-C1717 WeakPolarHBondContact OD1-CB 3.35Å; N1628-C1717 PolarHBondContact OD1-SG 3.2Å; N1628-C1717 VanDerWaalsContact OD1-SG 3.34Å; N1628-H1722 PolarHBondContact ND2-O 2.75Å; N1628-L1724 WeakPolarHBondContact ND2-CG 2.97Å; N1628-L1724 WeakPolarHBondContact O-CD1 3.31Å
1629D84.4Confident85.6Confident72.4 Ų72.455.3 Ų55.339%0.38729%0.292SS..  trans-111.5-14.4-173.982.7-19.8000115.2N1540 E1627 D1663 L1724N1540-D1629 VanDerWaalsContact ND2-CB 3.34Å; N1540-D1629 WeakPolarHBondContact ND2-CB 3.46Å; N1540-D1629 PolarHBondContact ND2-OD2 3.06Å; E1627-D1629 VanDerWaalsContact C-N 3.34Å; E1627-D1629 PolarHBondContact O-N 3.21Å; D1629-D1663 PolarHBondContact N-OD2 3.16Å; D1629-D1663 VanDerWaalsContact N-OD2 3.14Å; D1629-L1724 VanDerWaalsContact C-CD1 3.42Å; D1629-L1724 VanDerWaalsContact O-CD1 3.32Å; D1629-L1724 WeakPolarHBondContact O-CD1 3.38Å
1630N83.8Confident85.3Confident42.6 Ų42.656.9 Ų56.923%0.22830%0.299CS..PPolyproline II helixtrans-90.5132.5172.4-62.3-87.2000111.4E1595 D1661 L1662 D1663 L1724E1595-N1630 VanDerWaalsContact CD-ND2 3.34Å; E1595-N1630 PolarHBondContact OE2-ND2 2.92Å; N1630-D1661 VanDerWaalsContact O-OD1 3.05Å; N1630-L1662 HydrophobicContact CB-CB 4.2Å; N1630-D1663 WeakPolarHBondContact CB-OD1 3.27Å; N1630-D1663 VanDerWaalsContact N-CG 3.35Å; N1630-D1663 PolarHBondContact N-OD1 3.04Å; N1630-D1663 VanDerWaalsContact N-OD1 3.09Å; N1630-D1663 PolarHBondContact N-OD2 3.28Å; N1630-D1663 PolarHBondContact ND2-OD1 3.04Å; N1630-L1724 VanDerWaalsContact C-CD1 3.49Å; N1630-L1724 WeakPolarHBondContact O-CD1 3.32Å
1631A85Confident85.1Confident39 Ų3958.3 Ų58.332%0.32231%0.308SS..PPolyproline II helixtrans-90.9149.9171.300000110.3V1633 L1724A1631-V1633 VanDerWaalsContact O-CG2 3.29Å; A1631-V1633 WeakPolarHBondContact O-CG2 3.36Å; A1631-V1633 PolarHBondContact O-N 2.97Å; A1631-V1633 VanDerWaalsContact O-N 3.12Å; A1631-L1724 HydrophobicContact CB-CB 3.77Å; A1631-L1724 HydrophobicContact CB-CD1 4.11Å; A1631-L1724 HydrophobicContact CB-CG 4.34Å
1632P89.8Confident84.8Confident0.2 Ų0.258.3 Ų58.30%0.00132%0.316CS..PPolyproline II helixtrans-57.1120.6174-2126.9000111.6F1634 A1659 L1660 D1661 V1670 A1713 D1715 L1724 S1726P1632-F1634 PolarHBondContact O-N 3.01Å; P1632-A1659 HydrophobicContact CB-CB 4.21Å; P1632-L1660 CarbonylContact C-O 3.49Å; P1632-L1660 VanDerWaalsContact CA-O 3.32Å; P1632-L1660 WeakPolarHBondContact CA-O 3.32Å; P1632-D1661 HydrophobicContact CB-CB 4.44Å; P1632-D1661 WeakPolarHBondContact CD-OD2 3.28Å; P1632-D1661 HydrophobicContact CG-CB 4.42Å; P1632-D1661 VanDerWaalsContact CG-OD2 3.3Å; P1632-D1661 WeakPolarHBondContact CG-OD2 3.22Å; P1632-D1661 VanDerWaalsContact N-OD2 3.11Å; P1632-V1670 HydrophobicContact CB-CG1 4.16Å; P1632-V1670 HydrophobicContact CB-CG2 3.9Å; P1632-V1670 HydrophobicContact CG-CG1 4.36Å; P1632-V1670 HydrophobicContact CG-CG2 4.19Å; P1632-A1713 HydrophobicContact CB-CB 3.91Å; P1632-A1713 HydrophobicContact CG-CB 4.44Å; P1632-D1715 HydrophobicContact CG-CB 4.11Å; P1632-L1724 WeakPolarHBondContact CD-O 3.29Å; P1632-L1724 WeakPolarHBondContact CG-O 3.49Å; P1632-S1726 WeakPolarHBondContact O-CB 3.37Å; P1632-S1726 PolarHBondContact O-OG 2.97Å
1633V85.6Confident84.6Confident98.6 Ų98.660.3 Ų60.360%0.59833%0.327SS*.EExtended strand (participates in β ladder)trans-102.6118.9-179.3-176.60000110.6A1631 Q1635 A1659 L1660A1631-V1633 VanDerWaalsContact O-CG2 3.29Å; A1631-V1633 WeakPolarHBondContact O-CG2 3.36Å; A1631-V1633 PolarHBondContact O-N 2.97Å; A1631-V1633 VanDerWaalsContact O-N 3.12Å; V1633-Q1635 PolarHBondContact O-N 3.28Å; V1633-A1659 CarbonylContact O-C 3.49Å; V1633-A1659 WeakPolarHBondContact O-CA 3.33Å; V1633-A1659 WeakPolarHBondContact O-CB 3.39Å; V1633-L1660 PolarHBondContact N-O 3Å; V1633-L1660 PolarHBondContact O-N 3.1Å
1634F88.3Confident84.4Confident20.6 Ų20.661.9 Ų61.99%0.0933%0.333CS..EExtended strand (participates in β ladder)trans-65.6137.4170.9-78.5-75.3000111.7P1632 Q1636 Y1639 V1657 Q1658 A1659 Y1672 V1711 A1713 S1726 T1728P1632-F1634 PolarHBondContact O-N 3.01Å; F1634-Q1636 VanDerWaalsContact C-N 3.27Å; F1634-Q1636 PolarHBondContact O-N 3.16Å; F1634-Q1636 VanDerWaalsContact O-N 3.12Å; F1634-Y1639 HydrophobicContact CB-CE2 4.25Å; F1634-Y1639 AromaticContact CD1-CE2 3.82Å; F1634-Y1639 HydrophobicContact CD1-CE2 4.06Å; F1634-Y1639 WeakPolarHBondContact CD1-OH 3.45Å; F1634-Y1639 HydrophobicContact CG-CE2 4.2Å; F1634-V1657 HydrophobicContact CD1-CB 4.27Å; F1634-V1657 HydrophobicContact CE1-CB 3.96Å; F1634-V1657 HydrophobicContact CE1-CG2 3.99Å; F1634-Q1658 WeakPolarHBondContact CA-O 3.21Å; F1634-Q1658 WeakPolarHBondContact CD1-O 3.18Å; F1634-A1659 HydrophobicContact CB-CB 4.44Å; F1634-A1659 HydrophobicContact CD1-CB 3.87Å; F1634-A1659 HydrophobicContact CD2-CB 4.38Å; F1634-A1659 HydrophobicContact CE1-CB 4.17Å; F1634-A1659 HydrophobicContact CG-CB 4.08Å; F1634-A1659 HydrophobicContact CZ-CB 4.43Å; F1634-Y1672 HydrophobicContact CD1-CE1 4.46Å; F1634-Y1672 AromaticContact CE1-CD1 3.85Å; F1634-Y1672 HydrophobicContact CE1-CD1 4.04Å; F1634-Y1672 AromaticContact CE1-CE1 3.73Å; F1634-Y1672 HydrophobicContact CE1-CE1 3.93Å; F1634-Y1672 AromaticContact CZ-CD1 3.96Å; F1634-Y1672 HydrophobicContact CZ-CD1 4.28Å; F1634-Y1672 HydrophobicContact CZ-CE1 4.25Å; F1634-V1711 HydrophobicContact CE1-CG1 4.1Å; F1634-V1711 HydrophobicContact CZ-CG1 4.25Å; F1634-A1713 HydrophobicContact CD1-CB 4.29Å; F1634-A1713 HydrophobicContact CD2-CB 4.32Å; F1634-A1713 HydrophobicContact CE1-CB 3.97Å; F1634-A1713 HydrophobicContact CE2-CB 3.56Å; F1634-A1713 VanDerWaalsContact CE2-CB 3.4Å; F1634-A1713 VanDerWaalsContact CE2-N 3.29Å; F1634-A1713 HydrophobicContact CZ-CB 3.36Å; F1634-A1713 VanDerWaalsContact CZ-CB 3.42Å; F1634-S1726 VanDerWaalsContact CD2-OG 3.27Å; F1634-S1726 WeakPolarHBondContact CD2-OG 3.3Å; F1634-S1726 WeakPolarHBondContact CE2-O 3.29Å; F1634-S1726 VanDerWaalsContact CE2-OG 3.28Å; F1634-S1726 WeakPolarHBondContact CE2-OG 3.1Å; F1634-T1728 HydrophobicContact CD1-CG2 3.73Å; F1634-T1728 HydrophobicContact CD2-CG2 3.83Å; F1634-T1728 HydrophobicContact CE1-CG2 3.66Å; F1634-T1728 HydrophobicContact CE2-CG2 3.75Å; F1634-T1728 HydrophobicContact CG-CG2 3.82Å; F1634-T1728 HydrophobicContact CZ-CG2 3.65Å
1635Q78.7Confident84.4Confident125.8 Ų125.863 Ų6359%0.58834%0.338SS*.SBendtrans-65.3-20.4180-68.9176.8-5.900114.3V1633 Y1639 Q1658V1633-Q1635 PolarHBondContact O-N 3.28Å; Q1635-Y1639 PolarHBondContact N-OH 3.02Å; Q1635-Q1658 WeakPolarHBondContact CB-O 3.01Å; Q1635-Q1658 HydrophobicContact CG-CB 4.45Å; Q1635-Q1658 VanDerWaalsContact CG-O 3.25Å; Q1635-Q1658 WeakPolarHBondContact CG-O 3.33Å; Q1635-Q1658 PolarHBondContact N-O 2.96Å; Q1635-Q1658 VanDerWaalsContact N-O 3.11Å
1636Q77.4Confident84.2Confident93 Ų9360.6 Ų60.644%0.43533%0.326SS..SBendtrans-133.8139.2177.2-59.8-178.35.500109.9F1634 H1638 Y1639 T1728F1634-Q1636 VanDerWaalsContact C-N 3.27Å; F1634-Q1636 PolarHBondContact O-N 3.16Å; F1634-Q1636 VanDerWaalsContact O-N 3.12Å; Q1636-H1638 VanDerWaalsContact C-N 3.29Å; Q1636-H1638 WeakPolarHBondContact CB-O 3.43Å; Q1636-H1638 PolarHBondContact O-N 2.93Å; Q1636-Y1639 HydrophobicContact CB-CD1 4.17Å; Q1636-Y1639 HydrophobicContact CB-CD2 4.18Å; Q1636-Y1639 HydrophobicContact CB-CE1 4.06Å; Q1636-Y1639 HydrophobicContact CB-CE2 4Å; Q1636-Y1639 HydrophobicContact CB-CG 4.11Å; Q1636-Y1639 VanDerWaalsContact CD-CD1 3.44Å; Q1636-Y1639 HydrophobicContact CG-CD1 4.11Å; Q1636-Y1639 HydrophobicContact CG-CE1 4.13Å; Q1636-Y1639 HydrophobicContact CG-CG 4.28Å; Q1636-Y1639 PolarHBondContact N-OH 3.05Å; Q1636-Y1639 VanDerWaalsContact O-CE2 3.24Å; Q1636-Y1639 WeakPolarHBondContact O-CE2 3.15Å; Q1636-Y1639 VanDerWaalsContact OE1-CD1 3.27Å; Q1636-T1728 PolarHBondContact O-OG1 3.45Å
1637P77Confident84Confident107.8 Ų107.862.8 Ų62.870%0.734%0.342SS*.SBendtrans-68.2-33.9-179.126.8-33.7000112.2T1728P1637-T1728 PolarHBondContact O-OG1 3.07Å; P1637-T1728 VanDerWaalsContact O-OG1 3.11Å
1638H82.6Confident83.7Confident103.8 Ų103.866 Ų6648%0.48136%0.362SS..EExtended strand (participates in β ladder)trans-143.6152.2169.855.7-89.7000109.4Q1636 T1729Q1636-H1638 VanDerWaalsContact C-N 3.29Å; Q1636-H1638 WeakPolarHBondContact CB-O 3.43Å; Q1636-H1638 PolarHBondContact O-N 2.93Å; H1638-T1729 CarbonylContact C-O 3.53Å; H1638-T1729 VanDerWaalsContact CA-O 3.24Å; H1638-T1729 WeakPolarHBondContact CA-O 3.25Å; H1638-T1729 WeakPolarHBondContact CB-O 3.33Å; H1638-T1729 VanDerWaalsContact CB-OG1 3.28Å; H1638-T1729 WeakPolarHBondContact CB-OG1 3.28Å
1639Y85.8Confident83.6Confident9.8 Ų9.865 Ų654%0.03836%0.357CS..EExtended strand (participates in β ladder)trans-114.9142.3175.1-64.7-99.4000109F1634 Q1635 Q1636 I1655 V1657 Q1658 T1728 T1729 V1730 L1731F1634-Y1639 HydrophobicContact CB-CE2 4.25Å; F1634-Y1639 AromaticContact CD1-CE2 3.82Å; F1634-Y1639 HydrophobicContact CD1-CE2 4.06Å; F1634-Y1639 WeakPolarHBondContact CD1-OH 3.45Å; F1634-Y1639 HydrophobicContact CG-CE2 4.2Å; Q1635-Y1639 PolarHBondContact N-OH 3.02Å; Q1636-Y1639 HydrophobicContact CB-CD1 4.17Å; Q1636-Y1639 HydrophobicContact CB-CD2 4.18Å; Q1636-Y1639 HydrophobicContact CB-CE1 4.06Å; Q1636-Y1639 HydrophobicContact CB-CE2 4Å; Q1636-Y1639 HydrophobicContact CB-CG 4.11Å; Q1636-Y1639 VanDerWaalsContact CD-CD1 3.44Å; Q1636-Y1639 HydrophobicContact CG-CD1 4.11Å; Q1636-Y1639 HydrophobicContact CG-CE1 4.13Å; Q1636-Y1639 HydrophobicContact CG-CG 4.28Å; Q1636-Y1639 PolarHBondContact N-OH 3.05Å; Q1636-Y1639 VanDerWaalsContact O-CE2 3.24Å; Q1636-Y1639 WeakPolarHBondContact O-CE2 3.15Å; Q1636-Y1639 VanDerWaalsContact OE1-CD1 3.27Å; Y1639-I1655 HydrophobicContact CD1-CD1 3.95Å; Y1639-I1655 HydrophobicContact CD1-CG1 4.02Å; Y1639-I1655 HydrophobicContact CE1-CG1 4.47Å; Y1639-I1655 HydrophobicContact CG-CD1 4.34Å; Y1639-I1655 HydrophobicContact CG-CG1 4.38Å; Y1639-V1657 HydrophobicContact CD1-CG1 4.21Å; Y1639-V1657 HydrophobicContact CD2-CB 4.43Å; Y1639-V1657 HydrophobicContact CD2-CG1 3.81Å; Y1639-V1657 HydrophobicContact CE1-CB 4.36Å; Y1639-V1657 HydrophobicContact CE1-CG1 4.32Å; Y1639-V1657 HydrophobicContact CE2-CB 4.14Å; Y1639-V1657 HydrophobicContact CE2-CG1 3.77Å; Y1639-V1657 HydrophobicContact CG-CG1 4.13Å; Y1639-Q1658 PolarHBondContact OH-N 2.89Å; Y1639-Q1658 PolarHBondContact OH-O 2.91Å; Y1639-T1728 HydrophobicContact CD2-CG2 4.08Å; Y1639-T1728 VanDerWaalsContact CD2-OG1 3.27Å; Y1639-T1728 WeakPolarHBondContact CD2-OG1 3.48Å; Y1639-T1728 HydrophobicContact CE2-CG2 3.93Å; Y1639-T1728 WeakPolarHBondContact CE2-OG1 3.26Å; Y1639-T1729 PolarHBondContact N-O 2.96Å; Y1639-V1730 HydrophobicContact CD2-CG2 4.32Å; Y1639-V1730 HydrophobicContact CG-CG2 4.42Å; Y1639-V1730 CarbonylContact O-C 3.55Å; Y1639-V1730 VanDerWaalsContact O-CA 3.26Å; Y1639-V1730 WeakPolarHBondContact O-CA 3.25Å; Y1639-L1731 PolarHBondContact O-N 3.18Å
1640E85.8Confident83.6Confident105.8 Ų105.865.1 Ų65.149%0.49436%0.357SS..EExtended strand (participates in β ladder)trans-133139.8179.2-173.2168.3-16300111.7L1731 N1733E1640-L1731 CarbonylContact C-O 3.54Å; E1640-L1731 VanDerWaalsContact CA-O 3.29Å; E1640-L1731 WeakPolarHBondContact CA-O 3.31Å; E1640-L1731 HydrophobicContact CB-CB 4.31Å; E1640-L1731 HydrophobicContact CG-CB 4.15Å; E1640-L1731 HydrophobicContact CG-CD2 4.36Å; E1640-L1731 HydrophobicContact CG-CG 4.49Å; E1640-L1731 WeakPolarHBondContact OE1-CD2 3.37Å; E1640-L1731 WeakPolarHBondContact OE2-CD1 3.25Å; E1640-N1733 PolarHBondContact OE1-ND2 2.94Å; E1640-N1733 PolarHBondContact OE2-ND2 2.94Å
1641V86.1Confident83.5Confident29.2 Ų29.268.4 Ų68.418%0.17737%0.374CS..EExtended strand (participates in β ladder)trans-142.3145.5173.464.80000110.2L1643 L1654 I1655 L1731 V1732 N1733V1641-L1643 HydrophobicContact CB-CD1 4.34Å; V1641-L1643 HydrophobicContact CG1-CD1 3.9Å; V1641-L1643 HydrophobicContact CG2-CD1 3.61Å; V1641-L1643 VanDerWaalsContact CG2-CD1 3.42Å; V1641-L1643 HydrophobicContact CG2-CG 3.94Å; V1641-L1654 HydrophobicContact CG1-CB 4.37Å; V1641-L1654 HydrophobicContact CG1-CD2 4.12Å; V1641-L1654 HydrophobicContact CG1-CG 4.42Å; V1641-L1654 HydrophobicContact CG2-CB 4.42Å; V1641-L1654 WeakPolarHBondContact CG2-O 3.03Å; V1641-I1655 HydrophobicContact CB-CB 4.27Å; V1641-I1655 HydrophobicContact CB-CD1 4.17Å; V1641-I1655 HydrophobicContact CG1-CB 4.4Å; V1641-I1655 HydrophobicContact CG1-CG2 4.39Å; V1641-L1731 PolarHBondContact N-O 2.95Å; V1641-V1732 HydrophobicContact CG1-CB 4.17Å; V1641-V1732 HydrophobicContact CG1-CG1 4.08Å; V1641-V1732 HydrophobicContact CG1-CG2 3.85Å; V1641-V1732 CarbonylContact O-C 3.48Å; V1641-V1732 WeakPolarHBondContact O-CA 3.2Å; V1641-N1733 PolarHBondContact O-N 3.09Å
1642V84.1Confident83.4Confident79.8 Ų79.868.7 Ų68.748%0.48437%0.373SS..EExtended strand (participates in β ladder)trans-120.1132.3179.3-172.90000109.3N1733 N1735V1642-N1733 CarbonylContact C-O 3.42Å; V1642-N1733 VanDerWaalsContact CA-O 3.31Å; V1642-N1733 WeakPolarHBondContact CA-O 3.36Å; V1642-N1733 HydrophobicContact CB-CB 4.37Å; V1642-N1733 HydrophobicContact CG1-CB 4.36Å; V1642-N1733 HydrophobicContact CG2-CB 4.19Å; V1642-N1735 HydrophobicContact CG1-CB 4.03Å; V1642-N1735 WeakPolarHBondContact CG1-ND2 3.17Å; V1642-N1735 WeakPolarHBondContact CG1-OD1 3.27Å
1643L85.1Confident83.1Confident43.2 Ų43.273 Ų7323%0.22640%0.403CS..EExtended strand (participates in β ladder)trans-138.8149.9176.7-68.2145.5000111V1641 L1654 L1698 V1732 N1733 V1734 N1735V1641-L1643 HydrophobicContact CB-CD1 4.34Å; V1641-L1643 HydrophobicContact CG1-CD1 3.9Å; V1641-L1643 HydrophobicContact CG2-CD1 3.61Å; V1641-L1643 VanDerWaalsContact CG2-CD1 3.42Å; V1641-L1643 HydrophobicContact CG2-CG 3.94Å; L1643-L1654 HydrophobicContact CD1-CD2 3.5Å; L1643-L1654 VanDerWaalsContact CD1-CD2 3.46Å; L1643-L1654 HydrophobicContact CD1-CG 4.13Å; L1643-L1654 HydrophobicContact CD2-CD2 3.95Å; L1643-L1654 HydrophobicContact CG-CD2 4.32Å; L1643-L1698 HydrophobicContact CB-CD1 3.86Å; L1643-L1698 HydrophobicContact CD1-CD1 3.87Å; L1643-L1698 VanDerWaalsContact CD1-CD1 3.5Å; L1643-L1698 HydrophobicContact CD2-CD1 4.34Å; L1643-L1698 HydrophobicContact CG-CD1 4.27Å; L1643-V1732 HydrophobicContact CD1-CG1 4.26Å; L1643-N1733 PolarHBondContact N-O 3.18Å; L1643-N1733 VanDerWaalsContact N-O 3.1Å; L1643-N1733 VanDerWaalsContact O-O 3.1Å; L1643-V1734 CarbonylContact O-C 3.55Å; L1643-V1734 VanDerWaalsContact O-CA 3.23Å; L1643-V1734 WeakPolarHBondContact O-CA 3.35Å; L1643-N1735 PolarHBondContact O-N 2.95Å
1644D83.8Confident83Confident98.4 Ų98.469.4 Ų69.453%0.52638%0.38SS..EExtended strand (participates in β ladder)trans-74.6149.9164.8-58.6-30.7000109.9T1649 N1735 I1737D1644-T1649 WeakPolarHBondContact O-CG2 3.38Å; D1644-N1735 VanDerWaalsContact OD1-CB 3.24Å; D1644-N1735 WeakPolarHBondContact OD1-CB 3.16Å; D1644-N1735 PolarHBondContact OD1-ND2 3.03Å; D1644-I1737 HydrophobicContact CB-CD1 3.96Å; D1644-I1737 HydrophobicContact CB-CG1 4.03Å
1645E86.4Confident82.9Confident31.4 Ų31.470.2 Ų70.215%0.14739%0.385CS..  trans-75.7169.1177.175.1-173.8126.400113.7L1698 D1699 Y1700 V1734 N1735 D1736 I1737E1645-L1698 HydrophobicContact CB-CB 4.41Å; E1645-D1699 WeakPolarHBondContact OE2-CA 3.03Å; E1645-Y1700 VanDerWaalsContact OE1-CB 3.3Å; E1645-Y1700 WeakPolarHBondContact OE1-CB 3.25Å; E1645-Y1700 WeakPolarHBondContact OE2-CA 3.15Å; E1645-Y1700 VanDerWaalsContact OE2-CB 3.26Å; E1645-Y1700 WeakPolarHBondContact OE2-CB 3.17Å; E1645-Y1700 PolarHBondContact OE2-N 3.02Å; E1645-V1734 HydrophobicContact CB-CG1 3.74Å; E1645-N1735 WeakPolarHBondContact CB-O 3.31Å; E1645-N1735 VanDerWaalsContact CG-O 3.25Å; E1645-N1735 WeakPolarHBondContact CG-O 3.36Å; E1645-N1735 PolarHBondContact N-O 2.72Å; E1645-D1736 WeakPolarHBondContact OE1-CA 3.22Å; E1645-I1737 HydrophobicContact CG-CB 3.99Å; E1645-I1737 HydrophobicContact CG-CG1 4.11Å; E1645-I1737 WeakPolarHBondContact OE1-CB 3.46Å; E1645-I1737 VanDerWaalsContact OE1-CG1 3.28Å; E1645-I1737 WeakPolarHBondContact OE1-CG1 3.26Å; E1645-I1737 PolarHBondContact OE1-N 3.26Å
1646G82.2Confident83.3Confident12.6 Ų12.667.4 Ų67.413%0.1338%0.376CS..BIsolated β-bridgetrans104.6-175.3174.900000115.6D1648 T1649 E1697 L1698G1646-D1648 VanDerWaalsContact C-N 3.29Å; G1646-D1648 PolarHBondContact O-N 2.93Å; G1646-D1648 VanDerWaalsContact O-N 3.14Å; G1646-T1649 WeakPolarHBondContact O-CB 3.34Å; G1646-T1649 VanDerWaalsContact O-CG2 3.31Å; G1646-T1649 WeakPolarHBondContact O-CG2 3.37Å; G1646-T1649 PolarHBondContact O-N 3.32Å; G1646-T1649 PolarHBondContact O-OG1 3.02Å; G1646-E1697 WeakPolarHBondContact CA-OE1 3.36Å; G1646-E1697 WeakPolarHBondContact O-CG 3.48Å; G1646-L1698 PolarHBondContact N-O 3.07Å
1647P80.7Confident83.8Confident84 Ų8462.9 Ų62.955%0.54536%0.355SS..G310 helixtrans-74-22.1-153.824.2-34000115T1649 I1650 E1697P1647-T1649 PolarHBondContact O-N 2.87Å; P1647-T1649 VanDerWaalsContact O-N 3.16Å; P1647-I1650 WeakPolarHBondContact O-CB 3.45Å; P1647-I1650 WeakPolarHBondContact O-CG1 3.44Å; P1647-I1650 PolarHBondContact O-N 3.11Å; P1647-I1650 VanDerWaalsContact O-N 3.12Å; P1647-E1697 WeakPolarHBondContact CA-OE1 3.37Å; P1647-E1697 VanDerWaalsContact CB-OE1 3.31Å; P1647-E1697 WeakPolarHBondContact CB-OE1 3.36Å; P1647-E1697 VanDerWaalsContact CD-OE1 3.28Å; P1647-E1697 WeakPolarHBondContact CD-OE1 3.43Å; P1647-E1697 VanDerWaalsContact N-OE1 3.1Å
1648D79.1Confident84.3Confident156 Ų15662.3 Ų62.383%0.83434%0.343SS*.G310 helixtrans-70.9-8.4-179.1-72.7-29.8000113.1G1646 I1650 T1652G1646-D1648 VanDerWaalsContact C-N 3.29Å; G1646-D1648 PolarHBondContact O-N 2.93Å; G1646-D1648 VanDerWaalsContact O-N 3.14Å; D1648-I1650 VanDerWaalsContact C-N 3.28Å; D1648-I1650 PolarHBondContact O-N 2.83Å; D1648-T1652 VanDerWaalsContact O-CG2 3.29Å; D1648-T1652 WeakPolarHBondContact O-CG2 3.27Å
1649T83.1Confident84.5Confident10.2 Ų10.257.9 Ų57.96%0.06332%0.324CS..G310 helixtrans-75.3-17179.357.90000113.9D1644 G1646 P1647 N1651 T1652 A1694 E1697 L1698D1644-T1649 WeakPolarHBondContact O-CG2 3.38Å; G1646-T1649 WeakPolarHBondContact O-CB 3.34Å; G1646-T1649 VanDerWaalsContact O-CG2 3.31Å; G1646-T1649 WeakPolarHBondContact O-CG2 3.37Å; G1646-T1649 PolarHBondContact O-N 3.32Å; G1646-T1649 PolarHBondContact O-OG1 3.02Å; P1647-T1649 PolarHBondContact O-N 2.87Å; P1647-T1649 VanDerWaalsContact O-N 3.16Å; T1649-N1651 PolarHBondContact O-N 2.95Å; T1649-T1652 WeakPolarHBondContact O-CB 3.32Å; T1649-T1652 VanDerWaalsContact O-CG2 3.3Å; T1649-T1652 WeakPolarHBondContact O-CG2 3.16Å; T1649-T1652 PolarHBondContact O-N 3.1Å; T1649-T1652 VanDerWaalsContact O-N 3.14Å; T1649-T1652 PolarHBondContact O-OG1 3.26Å; T1649-A1694 VanDerWaalsContact O-CB 3.29Å; T1649-A1694 WeakPolarHBondContact O-CB 3.29Å; T1649-E1697 WeakPolarHBondContact OG1-CA 3.16Å; T1649-L1698 HydrophobicContact CG2-CB 4.13Å; T1649-L1698 HydrophobicContact CG2-CD1 3.86Å; T1649-L1698 HydrophobicContact CG2-CG 3.97Å; T1649-L1698 PolarHBondContact OG1-N 3Å; T1649-L1698 VanDerWaalsContact OG1-N 3.15Å
1650I84.8Confident84.6Confident75.2 Ų75.262.4 Ų62.439%0.38635%0.349SS..THydrogen-bonded Turntrans-67.2130.2-173.8-61.4170.6000112.3P1647 D1648 T1652 E1697P1647-I1650 WeakPolarHBondContact O-CB 3.45Å; P1647-I1650 WeakPolarHBondContact O-CG1 3.44Å; P1647-I1650 PolarHBondContact O-N 3.11Å; P1647-I1650 VanDerWaalsContact O-N 3.12Å; D1648-I1650 VanDerWaalsContact C-N 3.28Å; D1648-I1650 PolarHBondContact O-N 2.83Å; I1650-T1652 VanDerWaalsContact C-N 3.27Å; I1650-T1652 PolarHBondContact O-N 3.21Å; I1650-T1652 VanDerWaalsContact O-N 3.13Å; I1650-E1697 HydrophobicContact CD1-CB 4.2Å; I1650-E1697 HydrophobicContact CG1-CB 4.12Å; I1650-E1697 HydrophobicContact CG1-CG 4.43Å
1651N83Confident84.7Confident111.8 Ų111.858.1 Ų58.160%0.59833%0.329SS*.THydrogen-bonded Turntrans64.811.2-176.6-63.5-61.9000116.1T1649 R1684 A1694T1649-N1651 PolarHBondContact O-N 2.95Å; N1651-R1684 VanDerWaalsContact OD1-CZ 3.29Å; N1651-R1684 PolarHBondContact OD1-NH1 3.09Å; N1651-R1684 PolarHBondContact OD1-NH2 2.85Å; N1651-R1684 VanDerWaalsContact OD1-NH2 3.15Å; N1651-A1694 VanDerWaalsContact CA-O 3.26Å; N1651-A1694 WeakPolarHBondContact CA-O 3.4Å; N1651-A1694 PolarHBondContact N-O 3.16Å
1652T82Confident84.7Confident46.2 Ų46.261.5 Ų61.528%0.28335%0.346SS..  trans-67147172.858.30000111.6D1648 T1649 I1650 L1654 T1693 A1694D1648-T1652 VanDerWaalsContact O-CG2 3.29Å; D1648-T1652 WeakPolarHBondContact O-CG2 3.27Å; T1649-T1652 WeakPolarHBondContact O-CB 3.32Å; T1649-T1652 VanDerWaalsContact O-CG2 3.3Å; T1649-T1652 WeakPolarHBondContact O-CG2 3.16Å; T1649-T1652 PolarHBondContact O-N 3.1Å; T1649-T1652 VanDerWaalsContact O-N 3.14Å; T1649-T1652 PolarHBondContact O-OG1 3.26Å; I1650-T1652 VanDerWaalsContact C-N 3.27Å; I1650-T1652 PolarHBondContact O-N 3.21Å; I1650-T1652 VanDerWaalsContact O-N 3.13Å; T1652-L1654 WeakPolarHBondContact O-CD1 3.09Å; T1652-L1654 PolarHBondContact O-N 2.95Å; T1652-T1693 CarbonylContact O-C 3.48Å; T1652-T1693 VanDerWaalsContact O-CA 3.27Å; T1652-T1693 WeakPolarHBondContact O-CA 3.33Å; T1652-T1693 VanDerWaalsContact O-CB 3.27Å; T1652-T1693 WeakPolarHBondContact O-CB 3.28Å; T1652-T1693 VanDerWaalsContact O-CG2 3.31Å; T1652-T1693 WeakPolarHBondContact O-CG2 3.16Å; T1652-A1694 PolarHBondContact O-N 2.96Å; T1652-A1694 VanDerWaalsContact O-N 3.12Å
1653S83.7Confident84.9Confident90.4 Ų90.458.1 Ų58.163%0.63233%0.325SS*.EExtended strand (participates in β ladder)trans-91.1116.2170.8-21.40000109.2I1692 T1693S1653-I1692 CarbonylContact C-O 3.19Å; S1653-T1693 VanDerWaalsContact OG-CG2 3.3Å; S1653-T1693 WeakPolarHBondContact OG-CG2 3.26Å
1654L82.7Confident84.9Confident22.4 Ų22.461.9 Ų61.912%0.11734%0.341CS..EExtended strand (participates in β ladder)trans-84.7-58.8-172.2-64.2127000111.2V1641 L1643 T1652 F1683 I1692 T1693 A1694 L1698 V1732V1641-L1654 HydrophobicContact CG1-CB 4.37Å; V1641-L1654 HydrophobicContact CG1-CD2 4.12Å; V1641-L1654 HydrophobicContact CG1-CG 4.42Å; V1641-L1654 HydrophobicContact CG2-CB 4.42Å; V1641-L1654 WeakPolarHBondContact CG2-O 3.03Å; L1643-L1654 HydrophobicContact CD1-CD2 3.5Å; L1643-L1654 VanDerWaalsContact CD1-CD2 3.46Å; L1643-L1654 HydrophobicContact CD1-CG 4.13Å; L1643-L1654 HydrophobicContact CD2-CD2 3.95Å; L1643-L1654 HydrophobicContact CG-CD2 4.32Å; T1652-L1654 WeakPolarHBondContact O-CD1 3.09Å; T1652-L1654 PolarHBondContact O-N 2.95Å; L1654-F1683 HydrophobicContact CD1-CD1 3.5Å; L1654-F1683 HydrophobicContact CD1-CE1 3.62Å; L1654-F1683 VanDerWaalsContact CD1-CE1 3.42Å; L1654-F1683 HydrophobicContact CD1-CG 4.36Å; L1654-F1683 HydrophobicContact CD2-CD1 4.01Å; L1654-F1683 HydrophobicContact CD2-CE1 3.72Å; L1654-F1683 HydrophobicContact CD2-CZ 4.17Å; L1654-F1683 HydrophobicContact CG-CD1 4.46Å; L1654-F1683 HydrophobicContact CG-CE1 4.37Å; L1654-I1692 HydrophobicContact CD1-CG2 4.17Å; L1654-I1692 PolarHBondContact N-O 3.05Å; L1654-T1693 VanDerWaalsContact CD1-C 3.49Å; L1654-A1694 HydrophobicContact CD1-CB 4.08Å; L1654-A1694 VanDerWaalsContact CD1-N 3.31Å; L1654-A1694 HydrophobicContact CD2-CB 4.27Å; L1654-A1694 HydrophobicContact CG-CB 4.02Å; L1654-L1698 HydrophobicContact CD2-CD1 4.22Å; L1654-V1732 HydrophobicContact CD2-CB 4.3Å; L1654-V1732 HydrophobicContact CD2-CG1 3.66Å; L1654-V1732 HydrophobicContact CD2-CG2 3.64Å; L1654-V1732 VanDerWaalsContact CD2-CG2 3.46Å
1655I85.7Confident85Confident37.4 Ų37.459.4 Ų59.419%0.19234%0.339CS..EExtended strand (participates in β ladder)trans-158.8161.8-173.7-161.6142.8000111Y1639 V1641 V1691 I1692 V1730Y1639-I1655 HydrophobicContact CD1-CD1 3.95Å; Y1639-I1655 HydrophobicContact CD1-CG1 4.02Å; Y1639-I1655 HydrophobicContact CE1-CG1 4.47Å; Y1639-I1655 HydrophobicContact CG-CD1 4.34Å; Y1639-I1655 HydrophobicContact CG-CG1 4.38Å; V1641-I1655 HydrophobicContact CB-CB 4.27Å; V1641-I1655 HydrophobicContact CB-CD1 4.17Å; V1641-I1655 HydrophobicContact CG1-CB 4.4Å; V1641-I1655 HydrophobicContact CG1-CG2 4.39Å; I1655-V1691 CarbonylContact O-C 3.52Å; I1655-V1691 WeakPolarHBondContact O-CA 3.14Å; I1655-I1692 HydrophobicContact CG2-CB 4.34Å; I1655-I1692 HydrophobicContact CG2-CD1 4.07Å; I1655-I1692 HydrophobicContact CG2-CG1 4.45Å; I1655-I1692 PolarHBondContact N-O 3.32Å; I1655-I1692 WeakPolarHBondContact O-CA 3.38Å; I1655-I1692 WeakPolarHBondContact O-CB 3.21Å; I1655-I1692 PolarHBondContact O-N 3.14Å; I1655-V1730 HydrophobicContact CG2-CG1 3.73Å; I1655-V1730 HydrophobicContact CG2-CG2 4.38Å
1656T88.3Confident84.9Confident66 Ų6661.1 Ų61.141%0.40535%0.352SS..EExtended strand (participates in β ladder)trans-122119.5175.9-54.20000109.3Q1658 T1689 G1690 V1691T1656-Q1658 HydrophobicContact CG2-CG 4.46Å; T1656-Q1658 PolarHBondContact O-N 2.88Å; T1656-Q1658 VanDerWaalsContact O-N 3.08Å; T1656-T1689 VanDerWaalsContact CG2-O 3.24Å; T1656-T1689 WeakPolarHBondContact CG2-O 3.4Å; T1656-G1690 CarbonylContact C-O 3.59Å; T1656-G1690 WeakPolarHBondContact CA-O 3.39Å; T1656-V1691 HydrophobicContact CG2-CG2 3.87Å
1657V87.3Confident85Confident0.2 Ų0.261.4 Ų61.40%0.00135%0.351CS..  trans-91.8137174.8-58.90000110.6F1634 Y1639 Y1672 I1685 G1690 I1692 V1711 T1728 V1730F1634-V1657 HydrophobicContact CD1-CB 4.27Å; F1634-V1657 HydrophobicContact CE1-CB 3.96Å; F1634-V1657 HydrophobicContact CE1-CG2 3.99Å; Y1639-V1657 HydrophobicContact CD1-CG1 4.21Å; Y1639-V1657 HydrophobicContact CD2-CB 4.43Å; Y1639-V1657 HydrophobicContact CD2-CG1 3.81Å; Y1639-V1657 HydrophobicContact CE1-CB 4.36Å; Y1639-V1657 HydrophobicContact CE1-CG1 4.32Å; Y1639-V1657 HydrophobicContact CE2-CB 4.14Å; Y1639-V1657 HydrophobicContact CE2-CG1 3.77Å; Y1639-V1657 HydrophobicContact CG-CG1 4.13Å; V1657-Y1672 HydrophobicContact CG2-CD1 3.91Å; V1657-Y1672 HydrophobicContact CG2-CE1 4.23Å; V1657-Y1672 HydrophobicContact CG2-CG 4.43Å; V1657-Y1672 VanDerWaalsContact O-CD1 3.3Å; V1657-Y1672 WeakPolarHBondContact O-CD1 3.41Å; V1657-Y1672 WeakPolarHBondContact O-CE1 3.2Å; V1657-I1685 HydrophobicContact CG2-CD1 3.88Å; V1657-G1690 WeakPolarHBondContact CG2-O 3.35Å; V1657-G1690 PolarHBondContact N-O 3.14Å; V1657-G1690 WeakPolarHBondContact O-CA 3.31Å; V1657-I1692 HydrophobicContact CG1-CD1 4.13Å; V1657-I1692 HydrophobicContact CG2-CD1 4.37Å; V1657-V1711 HydrophobicContact CB-CG1 4.22Å; V1657-V1711 HydrophobicContact CG2-CG1 3.86Å; V1657-V1711 VanDerWaalsContact CG2-CG1 3.5Å; V1657-T1728 HydrophobicContact CG1-CG2 4.38Å; V1657-V1730 HydrophobicContact CG1-CG2 3.93Å
1658Q87.6Confident85.1Confident95.2 Ų95.258.5 Ų58.545%0.44534%0.336SS..  trans-130.8131.8175.7-106.8-177.72.700110.8F1634 Q1635 Y1639 T1656 Y1672F1634-Q1658 WeakPolarHBondContact CA-O 3.21Å; F1634-Q1658 WeakPolarHBondContact CD1-O 3.18Å; Q1635-Q1658 WeakPolarHBondContact CB-O 3.01Å; Q1635-Q1658 HydrophobicContact CG-CB 4.45Å; Q1635-Q1658 VanDerWaalsContact CG-O 3.25Å; Q1635-Q1658 WeakPolarHBondContact CG-O 3.33Å; Q1635-Q1658 PolarHBondContact N-O 2.96Å; Q1635-Q1658 VanDerWaalsContact N-O 3.11Å; Y1639-Q1658 PolarHBondContact OH-N 2.89Å; Y1639-Q1658 PolarHBondContact OH-O 2.91Å; T1656-Q1658 HydrophobicContact CG2-CG 4.46Å; T1656-Q1658 PolarHBondContact O-N 2.88Å; T1656-Q1658 VanDerWaalsContact O-N 3.08Å; Q1658-Y1672 WeakPolarHBondContact CA-OH 3.13Å
1659A87.4Confident85.5Confident10.8 Ų10.854.3 Ų54.39%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-119.2147.3168.700000110.7P1632 V1633 F1634 V1670 Y1672 A1713P1632-A1659 HydrophobicContact CB-CB 4.21Å; V1633-A1659 CarbonylContact O-C 3.49Å; V1633-A1659 WeakPolarHBondContact O-CA 3.33Å; V1633-A1659 WeakPolarHBondContact O-CB 3.39Å; F1634-A1659 HydrophobicContact CB-CB 4.44Å; F1634-A1659 HydrophobicContact CD1-CB 3.87Å; F1634-A1659 HydrophobicContact CD2-CB 4.38Å; F1634-A1659 HydrophobicContact CE1-CB 4.17Å; F1634-A1659 HydrophobicContact CG-CB 4.08Å; F1634-A1659 HydrophobicContact CZ-CB 4.43Å; A1659-V1670 HydrophobicContact CB-CG1 4.22Å; A1659-Y1672 HydrophobicContact CB-CE1 4.08Å; A1659-Y1672 VanDerWaalsContact N-CE1 3.34Å; A1659-Y1672 PolarHBondContact N-OH 2.89Å; A1659-Y1672 PolarHBondContact O-OH 2.9Å; A1659-Y1672 VanDerWaalsContact O-OH 3.11Å; A1659-A1713 HydrophobicContact CB-CB 3.56Å
1660L86.7Confident85.7Confident104.8 Ų104.855.1 Ų55.155%0.54932%0.322SS..EExtended strand (participates in β ladder)trans-117.5138.7177.8-174.784000109.3P1632 V1633 L1662P1632-L1660 CarbonylContact C-O 3.49Å; P1632-L1660 VanDerWaalsContact CA-O 3.32Å; P1632-L1660 WeakPolarHBondContact CA-O 3.32Å; V1633-L1660 PolarHBondContact N-O 3Å; V1633-L1660 PolarHBondContact O-N 3.1Å; L1660-L1662 HydrophobicContact CD2-CD2 3.84Å; L1660-L1662 HydrophobicContact CD2-CG 4.48Å; L1660-L1662 HydrophobicContact CG-CD2 4.07Å
1661D88.7Confident86Confident14 Ų1453.3 Ų53.38%0.07531%0.314CS..  trans-122145.6173.9-161-42.3000107.8N1630 P1632 D1663 G1668 V1670 D1715N1630-D1661 VanDerWaalsContact O-OD1 3.05Å; P1632-D1661 HydrophobicContact CB-CB 4.44Å; P1632-D1661 WeakPolarHBondContact CD-OD2 3.28Å; P1632-D1661 HydrophobicContact CG-CB 4.42Å; P1632-D1661 VanDerWaalsContact CG-OD2 3.3Å; P1632-D1661 WeakPolarHBondContact CG-OD2 3.22Å; P1632-D1661 VanDerWaalsContact N-OD2 3.11Å; D1661-D1663 PolarHBondContact OD1-N 3.17Å; D1661-D1663 VanDerWaalsContact OD1-N 3.16Å; D1661-G1668 WeakPolarHBondContact O-CA 3.12Å; D1661-V1670 HydrophobicContact CB-CG2 3.8Å; D1661-D1715 WeakPolarHBondContact OD2-CB 3.4Å
1662L86.2Confident86.5Confident101 Ų10149 Ų4953%0.52929%0.289SS..  trans-103.5-20.5-169.7-63.9177.8000113.3R1594 E1595 N1630 L1660R1594-L1662 PolarHBondContact NH2-O 2.73Å; E1595-L1662 HydrophobicContact CB-CB 4.21Å; E1595-L1662 HydrophobicContact CG-CB 4.02Å; E1595-L1662 HydrophobicContact CG-CD1 4.16Å; N1630-L1662 HydrophobicContact CB-CB 4.2Å; L1660-L1662 HydrophobicContact CD2-CD2 3.84Å; L1660-L1662 HydrophobicContact CD2-CG 4.48Å; L1660-L1662 HydrophobicContact CG-CD2 4.07Å
1663D88.9Confident87Confident8.8 Ų8.848.8 Ų48.85%0.04729%0.292CS..SBendtrans-64.6163.5-177.2-62.2-8.7000112.7N1628 D1629 N1630 D1661 G1665 N1667 G1668N1628-D1663 VanDerWaalsContact C-OD2 3.24Å; N1628-D1663 VanDerWaalsContact CA-OD2 3.24Å; N1628-D1663 WeakPolarHBondContact CA-OD2 3.27Å; N1628-D1663 PolarHBondContact ND2-OD2 2.69Å; N1628-D1663 VanDerWaalsContact ND2-OD2 3.16Å; N1628-D1663 PolarHBondContact OD1-OD2 2.77Å; D1629-D1663 PolarHBondContact N-OD2 3.16Å; D1629-D1663 VanDerWaalsContact N-OD2 3.14Å; N1630-D1663 WeakPolarHBondContact CB-OD1 3.27Å; N1630-D1663 VanDerWaalsContact N-CG 3.35Å; N1630-D1663 PolarHBondContact N-OD1 3.04Å; N1630-D1663 VanDerWaalsContact N-OD1 3.09Å; N1630-D1663 PolarHBondContact N-OD2 3.28Å; N1630-D1663 PolarHBondContact ND2-OD1 3.04Å; D1661-D1663 PolarHBondContact OD1-N 3.17Å; D1661-D1663 VanDerWaalsContact OD1-N 3.16Å; D1663-G1665 PolarHBondContact O-N 2.66Å; D1663-N1667 HydrophobicContact CB-CB 3.37Å; D1663-N1667 VanDerWaalsContact CB-CB 3.41Å; D1663-G1668 WeakPolarHBondContact O-CA 3.27Å; D1663-G1668 PolarHBondContact O-N 2.93Å; D1663-G1668 VanDerWaalsContact O-N 3.15Å
1664E85Confident87.3Confident123.4 Ų123.446.1 Ų46.158%0.57727%0.27SS*.SBendtrans-82.4135.4-176.5-162.3172.3170.600113.3R1594 D1626 P1666 N1667 G1668R1594-E1664 IonicContact CZ-OE2 2.64Å; R1594-E1664 IonicContact NH1-OE2 3.31Å; R1594-E1664 PolarHBondContact NH1-OE2 3.1Å; R1594-E1664 VanDerWaalsContact NH2-N 3.17Å; R1594-E1664 IonicContact NH2-OE2 2.72Å; D1626-E1664 HydrophobicContact CB-CB 4.14Å; D1626-E1664 VanDerWaalsContact CG-N 3.27Å; D1626-E1664 VanDerWaalsContact OD1-CB 3.28Å; D1626-E1664 WeakPolarHBondContact OD1-CB 3.35Å; D1626-E1664 PolarHBondContact OD1-N 2.93Å; D1626-E1664 PolarHBondContact OD2-N 2.84Å; E1664-P1666 WeakPolarHBondContact O-CD 3.25Å; E1664-P1666 VanDerWaalsContact O-N 3.16Å; E1664-N1667 WeakPolarHBondContact O-CB 3.23Å; E1664-N1667 PolarHBondContact O-N 3.1Å; E1664-N1667 VanDerWaalsContact O-N 3.08Å; E1664-G1668 PolarHBondContact O-N 3Å
1665G84.9Confident87.6Confident46 Ų4649.3 Ų49.347%0.47429%0.291SS..THydrogen-bonded Turntrans68.6-121.4164.900000113.7D1663 N1667 G1668 T1669D1663-G1665 PolarHBondContact O-N 2.66Å; G1665-N1667 VanDerWaalsContact C-N 3.29Å; G1665-N1667 PolarHBondContact O-N 2.82Å; G1665-G1668 PolarHBondContact O-N 3.11Å; G1665-G1668 VanDerWaalsContact O-N 3.14Å; G1665-T1669 WeakPolarHBondContact O-CB 3.45Å; G1665-T1669 PolarHBondContact O-N 2.97Å; G1665-T1669 VanDerWaalsContact O-N 3.14Å; G1665-T1669 PolarHBondContact O-OG1 3.14Å
1666P84.2Confident87.6Confident66.4 Ų66.449.5 Ų49.543%0.43130%0.298SS..THydrogen-bonded Turntrans-65.4-27.6-179.2-8.819.6000113.5E1664 G1668 T1669 Q1716 C1717 P1718E1664-P1666 WeakPolarHBondContact O-CD 3.25Å; E1664-P1666 VanDerWaalsContact O-N 3.16Å; P1666-G1668 PolarHBondContact O-N 3.17Å; P1666-T1669 PolarHBondContact O-N 2.96Å; P1666-Q1716 WeakPolarHBondContact CB-O 3.38Å; P1666-Q1716 CarbonylContact O-C 3.53Å; P1666-Q1716 VanDerWaalsContact O-C 3.25Å; P1666-Q1716 VanDerWaalsContact O-CA 3.27Å; P1666-Q1716 WeakPolarHBondContact O-CA 3.28Å; P1666-Q1716 VanDerWaalsContact O-CB 3.28Å; P1666-Q1716 WeakPolarHBondContact O-CB 3.32Å; P1666-Q1716 PolarHBondContact O-N 2.8Å; P1666-Q1716 VanDerWaalsContact O-N 3.17Å; P1666-C1717 PolarHBondContact O-N 2.91Å; P1666-P1718 HydrophobicContact CB-CG 4.18Å; P1666-P1718 HydrophobicContact CG-CG 4.31Å
1667N84.1Confident87.4Confident19.2 Ų19.247.8 Ų47.810%0.10329%0.293CS..THydrogen-bonded Turntrans-66.5-50.4177.5-61.8-5.9000108.6D1626 E1627 N1628 D1663 E1664 G1665 T1669 D1715 C1717D1626-N1667 WeakPolarHBondContact OD2-CB 3.45Å; D1626-N1667 PolarHBondContact OD2-ND2 3.17Å; E1627-N1667 PolarHBondContact O-ND2 3.31Å; N1628-N1667 HydrophobicContact CB-CB 4.21Å; N1628-N1667 WeakPolarHBondContact CB-ND2 3.3Å; N1628-N1667 VanDerWaalsContact OD1-CA 3.24Å; N1628-N1667 WeakPolarHBondContact OD1-CA 3.28Å; N1628-N1667 WeakPolarHBondContact OD1-CB 3.37Å; N1628-N1667 PolarHBondContact OD1-ND2 2.66Å; N1628-N1667 PolarHBondContact OD1-O 2.82Å; N1628-N1667 PolarHBondContact OD1-OD1 2.95Å; N1628-N1667 VanDerWaalsContact OD1-OD1 3.07Å; D1663-N1667 HydrophobicContact CB-CB 3.37Å; D1663-N1667 VanDerWaalsContact CB-CB 3.41Å; E1664-N1667 WeakPolarHBondContact O-CB 3.23Å; E1664-N1667 PolarHBondContact O-N 3.1Å; E1664-N1667 VanDerWaalsContact O-N 3.08Å; G1665-N1667 VanDerWaalsContact C-N 3.29Å; G1665-N1667 PolarHBondContact O-N 2.82Å; N1667-T1669 PolarHBondContact O-N 3.11Å; N1667-D1715 VanDerWaalsContact O-CB 3.23Å; N1667-D1715 WeakPolarHBondContact O-CB 3.33Å; N1667-C1717 WeakPolarHBondContact OD1-CA 3.45Å; N1667-C1717 PolarHBondContact OD1-SG 3.07Å; N1667-C1717 VanDerWaalsContact OD1-SG 3.34Å
1668G82.5Confident87.5Confident22.6 Ų22.649.4 Ų49.423%0.23330%0.302CS..THydrogen-bonded Turntrans-71.79175.500000118.3D1661 D1663 E1664 G1665 P1666 V1670D1661-G1668 WeakPolarHBondContact O-CA 3.12Å; D1663-G1668 WeakPolarHBondContact O-CA 3.27Å; D1663-G1668 PolarHBondContact O-N 2.93Å; D1663-G1668 VanDerWaalsContact O-N 3.15Å; E1664-G1668 PolarHBondContact O-N 3Å; G1665-G1668 PolarHBondContact O-N 3.11Å; G1665-G1668 VanDerWaalsContact O-N 3.14Å; P1666-G1668 PolarHBondContact O-N 3.17Å; G1668-V1670 PolarHBondContact O-N 3.16Å; G1668-V1670 VanDerWaalsContact O-N 3.09Å
1669T87.6Confident87.3Confident69.2 Ų69.248.3 Ų48.343%0.42530%0.298SS..  trans-100.4110.4-174.8-640000112.9G1665 P1666 N1667 T1671 D1715 Q1716G1665-T1669 WeakPolarHBondContact O-CB 3.45Å; G1665-T1669 PolarHBondContact O-N 2.97Å; G1665-T1669 VanDerWaalsContact O-N 3.14Å; G1665-T1669 PolarHBondContact O-OG1 3.14Å; P1666-T1669 PolarHBondContact O-N 2.96Å; N1667-T1669 PolarHBondContact O-N 3.11Å; T1669-T1671 PolarHBondContact O-N 3.25Å; T1669-D1715 CarbonylContact O-C 3.48Å; T1669-D1715 VanDerWaalsContact O-C 3.23Å; T1669-D1715 VanDerWaalsContact O-CA 3.26Å; T1669-D1715 WeakPolarHBondContact O-CA 3.37Å; T1669-Q1716 HydrophobicContact CG2-CB 4.28Å; T1669-Q1716 HydrophobicContact CG2-CG 3.9Å; T1669-Q1716 VanDerWaalsContact O-CG 3.3Å; T1669-Q1716 WeakPolarHBondContact O-CG 3.35Å; T1669-Q1716 PolarHBondContact O-N 3.13Å
1670V88.9Confident87.1Confident27 Ų2752.4 Ų52.416%0.16432%0.317CS..  trans-92.5144.5-173.3-1730000114.8P1632 A1659 D1661 G1668 Y1672 A1713 T1714P1632-V1670 HydrophobicContact CB-CG1 4.16Å; P1632-V1670 HydrophobicContact CB-CG2 3.9Å; P1632-V1670 HydrophobicContact CG-CG1 4.36Å; P1632-V1670 HydrophobicContact CG-CG2 4.19Å; A1659-V1670 HydrophobicContact CB-CG1 4.22Å; D1661-V1670 HydrophobicContact CB-CG2 3.8Å; G1668-V1670 PolarHBondContact O-N 3.16Å; G1668-V1670 VanDerWaalsContact O-N 3.09Å; V1670-Y1672 HydrophobicContact CB-CE2 4.44Å; V1670-Y1672 HydrophobicContact CG1-CD1 4.34Å; V1670-Y1672 HydrophobicContact CG1-CD2 4.31Å; V1670-Y1672 HydrophobicContact CG1-CE1 4.09Å; V1670-Y1672 HydrophobicContact CG1-CE2 3.99Å; V1670-A1713 HydrophobicContact CG1-CB 3.74Å; V1670-T1714 CarbonylContact C-O 3.3Å; V1670-T1714 WeakPolarHBondContact CA-O 3.14Å
1671T91.3Very high87.1Confident35.8 Ų35.853.1 Ų53.122%0.2232%0.322CS..EExtended strand (participates in β ladder)trans-131.6148.7168.258.70000113.5T1669 K1687 A1713 T1714 Q1716T1669-T1671 PolarHBondContact O-N 3.25Å; T1671-K1687 VanDerWaalsContact CA-O 3.23Å; T1671-K1687 WeakPolarHBondContact CA-O 3.41Å; T1671-A1713 CarbonylContact O-C 3.54Å; T1671-A1713 VanDerWaalsContact O-CA 3.25Å; T1671-A1713 WeakPolarHBondContact O-CA 3.41Å; T1671-T1714 PolarHBondContact N-O 3.07Å; T1671-T1714 PolarHBondContact O-N 3.2Å; T1671-T1714 PolarHBondContact OG1-O 2.93Å; T1671-Q1716 HydrophobicContact CG2-CG 3.99Å; T1671-Q1716 VanDerWaalsContact CG2-NE2 3.27Å; T1671-Q1716 PolarHBondContact OG1-NE2 3.15Å; T1671-Q1716 VanDerWaalsContact OG1-NE2 3.07Å
1672Y93Very high87Confident22.6 Ų22.652.6 Ų52.69%0.08932%0.319CS..EExtended strand (participates in β ladder)trans-113.9143.2-172.9-54.2-81.3000115.1F1634 V1657 Q1658 A1659 V1670 I1685 K1687 T1712 A1713F1634-Y1672 HydrophobicContact CD1-CE1 4.46Å; F1634-Y1672 AromaticContact CE1-CD1 3.85Å; F1634-Y1672 HydrophobicContact CE1-CD1 4.04Å; F1634-Y1672 AromaticContact CE1-CE1 3.73Å; F1634-Y1672 HydrophobicContact CE1-CE1 3.93Å; F1634-Y1672 AromaticContact CZ-CD1 3.96Å; F1634-Y1672 HydrophobicContact CZ-CD1 4.28Å; F1634-Y1672 HydrophobicContact CZ-CE1 4.25Å; V1657-Y1672 HydrophobicContact CG2-CD1 3.91Å; V1657-Y1672 HydrophobicContact CG2-CE1 4.23Å; V1657-Y1672 HydrophobicContact CG2-CG 4.43Å; V1657-Y1672 VanDerWaalsContact O-CD1 3.3Å; V1657-Y1672 WeakPolarHBondContact O-CD1 3.41Å; V1657-Y1672 WeakPolarHBondContact O-CE1 3.2Å; Q1658-Y1672 WeakPolarHBondContact CA-OH 3.13Å; A1659-Y1672 HydrophobicContact CB-CE1 4.08Å; A1659-Y1672 VanDerWaalsContact N-CE1 3.34Å; A1659-Y1672 PolarHBondContact N-OH 2.89Å; A1659-Y1672 PolarHBondContact O-OH 2.9Å; A1659-Y1672 VanDerWaalsContact O-OH 3.11Å; V1670-Y1672 HydrophobicContact CB-CE2 4.44Å; V1670-Y1672 HydrophobicContact CG1-CD1 4.34Å; V1670-Y1672 HydrophobicContact CG1-CD2 4.31Å; V1670-Y1672 HydrophobicContact CG1-CE1 4.09Å; V1670-Y1672 HydrophobicContact CG1-CE2 3.99Å; Y1672-I1685 HydrophobicContact CG-CD1 4.33Å; Y1672-K1687 PolarHBondContact N-O 3Å; Y1672-K1687 VanDerWaalsContact O-CA 3.27Å; Y1672-K1687 WeakPolarHBondContact O-CA 3.45Å; Y1672-T1712 CarbonylContact C-O 3.44Å; Y1672-T1712 VanDerWaalsContact CA-O 3.31Å; Y1672-T1712 WeakPolarHBondContact CA-O 3.37Å; Y1672-A1713 HydrophobicContact CD1-CB 4.11Å; Y1672-A1713 HydrophobicContact CE1-CB 4.05Å
1673A91.4Very high87.3Confident41 Ų4148 Ų4834%0.33930%0.295SS..EExtended strand (participates in β ladder)trans-148.8151.2172.400000113.2V1675 V1711 T1712A1673-V1675 HydrophobicContact CB-CG1 4.45Å; A1673-V1711 CarbonylContact O-C 3.54Å; A1673-V1711 VanDerWaalsContact O-CA 3.32Å; A1673-V1711 WeakPolarHBondContact O-CA 3.37Å; A1673-V1711 WeakPolarHBondContact O-CG1 3.2Å; A1673-T1712 PolarHBondContact N-O 2.94Å; A1673-T1712 VanDerWaalsContact N-O 3.11Å; A1673-T1712 PolarHBondContact O-N 3Å; A1673-T1712 PolarHBondContact O-OG1 3.18Å; A1673-T1712 VanDerWaalsContact O-OG1 3.12Å
1674I90.9Very high87.4Confident34 Ų3454.2 Ų54.217%0.17432%0.318CS..EExtended strand (participates in β ladder)trans-93.9123.1167.9-58.5163.1000107.8A1676 N1678 F1683 I1685 I1692 L1709 I1710 V1711I1674-A1676 WeakPolarHBondContact CG2-O 3.24Å; I1674-N1678 HydrophobicContact CB-CB 4.49Å; I1674-N1678 HydrophobicContact CG2-CB 3.84Å; I1674-F1683 HydrophobicContact CD1-CB 4.03Å; I1674-I1685 HydrophobicContact CB-CG2 4.17Å; I1674-I1685 HydrophobicContact CD1-CB 3.85Å; I1674-I1685 HydrophobicContact CD1-CG2 4.08Å; I1674-I1685 HydrophobicContact CG1-CB 3.88Å; I1674-I1685 HydrophobicContact CG1-CD1 4.31Å; I1674-I1685 HydrophobicContact CG1-CG2 3.76Å; I1674-I1685 VanDerWaalsContact N-CG2 3.34Å; I1674-I1692 HydrophobicContact CD1-CD1 4.37Å; I1674-I1692 HydrophobicContact CD1-CG1 4.47Å; I1674-I1692 HydrophobicContact CD1-CG2 4.33Å; I1674-L1709 HydrophobicContact CD1-CD1 4.47Å; I1674-L1709 HydrophobicContact CG2-CB 4.28Å; I1674-L1709 HydrophobicContact CG2-CD2 4.44Å; I1674-I1710 CarbonylContact C-O 3.26Å; I1674-I1710 WeakPolarHBondContact CA-O 3.43Å; I1674-V1711 HydrophobicContact CG1-CG2 4.12Å
1675V88.3Confident87.8Confident90.6 Ų90.650.1 Ų50.155%0.54930%0.3SS..EExtended strand (participates in β ladder)trans-107.3-25-175.6-63.50000114.3A1673 I1710 T1712A1673-V1675 HydrophobicContact CB-CG1 4.45Å; V1675-I1710 HydrophobicContact CG2-CB 3.96Å; V1675-I1710 HydrophobicContact CG2-CG2 3.75Å; V1675-I1710 WeakPolarHBondContact CG2-O 3.36Å; V1675-I1710 PolarHBondContact N-O 3.12Å; V1675-T1712 HydrophobicContact CB-CG2 4.3Å; V1675-T1712 HydrophobicContact CG1-CG2 3.78Å; V1675-T1712 VanDerWaalsContact CG1-CG2 3.47Å; V1675-T1712 WeakPolarHBondContact CG1-OG1 3.25Å; V1675-T1712 HydrophobicContact CG2-CG2 3.68Å
1676A86.3Confident88.1Confident41.6 Ų41.651.3 Ų51.334%0.34430%0.295SS..EExtended strand (participates in β ladder)trans-151.4169.4179.300000112.2I1674 N1678 L1709 I1710I1674-A1676 WeakPolarHBondContact CG2-O 3.24Å; A1676-N1678 PolarHBondContact O-N 2.79Å; A1676-L1709 VanDerWaalsContact O-CA 3.3Å; A1676-L1709 WeakPolarHBondContact O-CA 3.29Å; A1676-I1710 HydrophobicContact CB-CB 4.11Å; A1676-I1710 HydrophobicContact CB-CD1 4.02Å; A1676-I1710 HydrophobicContact CB-CG1 4.09Å; A1676-I1710 PolarHBondContact O-N 3.11Å
1677G84.8Confident88.3Confident28.8 Ų28.853.8 Ų53.830%0.29730%0.299SS..  trans80.6-8.3175.900000116.5I1679 T1708 L1709G1677-I1679 PolarHBondContact O-N 3.04Å; G1677-I1679 VanDerWaalsContact O-N 3.12Å; G1677-T1708 WeakPolarHBondContact CA-O 3.27Å; G1677-L1709 VanDerWaalsContact C-CD2 3.46Å; G1677-L1709 WeakPolarHBondContact O-CD2 3.41Å
1678N88.7Confident88.4Confident34.2 Ų34.258.8 Ų58.818%0.18332%0.322CS..  trans-80.768.2-177.5-166.14.9000112.4I1674 A1676 I1680 N1681 T1682 F1683 L1709I1674-N1678 HydrophobicContact CB-CB 4.49Å; I1674-N1678 HydrophobicContact CG2-CB 3.84Å; A1676-N1678 PolarHBondContact O-N 2.79Å; N1678-I1680 PolarHBondContact O-N 3.19Å; N1678-N1681 WeakPolarHBondContact O-CA 3.27Å; N1678-N1681 PolarHBondContact O-N 3.17Å; N1678-N1681 VanDerWaalsContact O-N 3.14Å; N1678-N1681 WeakPolarHBondContact OD1-CA 3.37Å; N1678-T1682 PolarHBondContact OD1-N 2.94Å; N1678-T1682 VanDerWaalsContact OD1-N 3.14Å; N1678-F1683 PolarHBondContact ND2-O 3.01Å; N1678-F1683 WeakPolarHBondContact OD1-CD2 3.32Å; N1678-F1683 PolarHBondContact OD1-N 3.02Å; N1678-L1709 HydrophobicContact CB-CD2 4.27Å
1679I83.3Confident88.7Confident72.6 Ų72.661 Ų6137%0.37233%0.33SS..G310 helixtrans-53.1130.2-178.6-61.5165.6000109.4G1677 N1681 T1682 I1702 Y1707G1677-I1679 PolarHBondContact O-N 3.04Å; G1677-I1679 VanDerWaalsContact O-N 3.12Å; I1679-N1681 PolarHBondContact O-N 2.93Å; I1679-T1682 WeakPolarHBondContact O-CB 3.47Å; I1679-T1682 PolarHBondContact O-N 2.92Å; I1679-T1682 VanDerWaalsContact O-N 3.09Å; I1679-T1682 PolarHBondContact O-OG1 2.94Å; I1679-T1682 VanDerWaalsContact O-OG1 3.06Å; I1679-I1702 HydrophobicContact CG2-CG2 3.83Å; I1679-Y1707 HydrophobicContact CB-CD1 4.04Å; I1679-Y1707 HydrophobicContact CB-CE1 3.85Å; I1679-Y1707 HydrophobicContact CD1-CD1 4.07Å; I1679-Y1707 HydrophobicContact CD1-CE1 4.36Å; I1679-Y1707 HydrophobicContact CG1-CD1 4.32Å; I1679-Y1707 HydrophobicContact CG1-CE1 4.41Å; I1679-Y1707 HydrophobicContact CG2-CE1 4.05Å
1680I84.2Confident88.7Confident96 Ų9657.7 Ų57.749%0.49231%0.31SS..G310 helixtrans55.516.4179.4-57.2169.7000114.5N1678 T1682 K1696 I1702N1678-I1680 PolarHBondContact O-N 3.19Å; I1680-T1682 VanDerWaalsContact C-N 3.32Å; I1680-T1682 PolarHBondContact O-N 3.28Å; I1680-K1696 HydrophobicContact CG2-CD 3.94Å; I1680-K1696 WeakPolarHBondContact O-CD 3.09Å; I1680-K1696 WeakPolarHBondContact O-CE 3.29Å; I1680-K1696 PolarHBondContact O-NZ 2.89Å; I1680-I1702 HydrophobicContact CD1-CD1 4.06Å; I1680-I1702 HydrophobicContact CD1-CG1 4.31Å; I1680-I1702 HydrophobicContact CD1-CG2 3.72Å; I1680-I1702 HydrophobicContact CG1-CG2 4.33Å
1681N86.2Confident88.8Confident119.4 Ų119.458.3 Ų58.364%0.63931%0.314SS*.G310 helixtrans56.444-171-58.7-69.3000112.9N1678 I1679 F1683N1678-N1681 WeakPolarHBondContact O-CA 3.27Å; N1678-N1681 PolarHBondContact O-N 3.17Å; N1678-N1681 VanDerWaalsContact O-N 3.14Å; N1678-N1681 WeakPolarHBondContact OD1-CA 3.37Å; I1679-N1681 PolarHBondContact O-N 2.93Å; N1681-F1683 VanDerWaalsContact C-N 3.27Å; N1681-F1683 PolarHBondContact O-N 3.02Å
1682T86.7Confident88.8Confident3.8 Ų3.856.6 Ų56.62%0.02330%0.304CS..  trans-66.4-22.1177.8-62.70000113.1N1678 I1679 I1680 A1694 A1695 K1696 L1698 Y1707N1678-T1682 PolarHBondContact OD1-N 2.94Å; N1678-T1682 VanDerWaalsContact OD1-N 3.14Å; I1679-T1682 WeakPolarHBondContact O-CB 3.47Å; I1679-T1682 PolarHBondContact O-N 2.92Å; I1679-T1682 VanDerWaalsContact O-N 3.09Å; I1679-T1682 PolarHBondContact O-OG1 2.94Å; I1679-T1682 VanDerWaalsContact O-OG1 3.06Å; I1680-T1682 VanDerWaalsContact C-N 3.32Å; I1680-T1682 PolarHBondContact O-N 3.28Å; T1682-A1694 CarbonylContact O-C 3.45Å; T1682-A1694 VanDerWaalsContact O-CA 3.3Å; T1682-A1694 WeakPolarHBondContact O-CA 3.35Å; T1682-A1695 WeakPolarHBondContact O-CA 3.45Å; T1682-A1695 WeakPolarHBondContact O-CB 3.18Å; T1682-A1695 PolarHBondContact O-N 3.11Å; T1682-K1696 HydrophobicContact CG2-CB 4.29Å; T1682-K1696 PolarHBondContact O-N 3.05Å; T1682-K1696 VanDerWaalsContact O-N 3.17Å; T1682-L1698 HydrophobicContact CG2-CD2 3.78Å; T1682-Y1707 HydrophobicContact CG2-CE1 4.26Å
1683F91.4Very high88.7Confident5.4 Ų5.456.9 Ų56.92%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-121.9156.9-177.9-53.3-76.3000114.1L1654 I1674 N1678 N1681 I1692 T1693 A1694 L1698 Y1707 L1709 V1732L1654-F1683 HydrophobicContact CD1-CD1 3.5Å; L1654-F1683 HydrophobicContact CD1-CE1 3.62Å; L1654-F1683 VanDerWaalsContact CD1-CE1 3.42Å; L1654-F1683 HydrophobicContact CD1-CG 4.36Å; L1654-F1683 HydrophobicContact CD2-CD1 4.01Å; L1654-F1683 HydrophobicContact CD2-CE1 3.72Å; L1654-F1683 HydrophobicContact CD2-CZ 4.17Å; L1654-F1683 HydrophobicContact CG-CD1 4.46Å; L1654-F1683 HydrophobicContact CG-CE1 4.37Å; I1674-F1683 HydrophobicContact CD1-CB 4.03Å; N1678-F1683 PolarHBondContact ND2-O 3.01Å; N1678-F1683 WeakPolarHBondContact OD1-CD2 3.32Å; N1678-F1683 PolarHBondContact OD1-N 3.02Å; N1681-F1683 VanDerWaalsContact C-N 3.27Å; N1681-F1683 PolarHBondContact O-N 3.02Å; F1683-I1692 HydrophobicContact CB-CG2 4.12Å; F1683-I1692 HydrophobicContact CD1-CG2 4.23Å; F1683-I1692 HydrophobicContact CG-CG2 4.42Å; F1683-T1693 CarbonylContact C-O 3.52Å; F1683-T1693 VanDerWaalsContact CA-O 3.25Å; F1683-T1693 WeakPolarHBondContact CA-O 3.36Å; F1683-A1694 HydrophobicContact CD1-CB 4.16Å; F1683-A1694 HydrophobicContact CE1-CB 4.13Å; F1683-L1698 HydrophobicContact CE1-CD2 4.04Å; F1683-L1698 HydrophobicContact CZ-CD2 3.92Å; F1683-Y1707 HydrophobicContact CD2-CD1 4.4Å; F1683-Y1707 AromaticContact CE2-CD1 3.61Å; F1683-Y1707 HydrophobicContact CE2-CD1 3.61Å; F1683-Y1707 VanDerWaalsContact CE2-CD1 3.48Å; F1683-Y1707 AromaticContact CE2-CD2 3.76Å; F1683-Y1707 HydrophobicContact CE2-CD2 3.97Å; F1683-Y1707 AromaticContact CE2-CE1 3.91Å; F1683-Y1707 HydrophobicContact CE2-CE1 4.05Å; F1683-Y1707 HydrophobicContact CE2-CE2 4.13Å; F1683-Y1707 AromaticContact CE2-CG 3.55Å; F1683-Y1707 HydrophobicContact CE2-CG 3.55Å; F1683-Y1707 VanDerWaalsContact CE2-CG 3.46Å; F1683-Y1707 HydrophobicContact CZ-CD1 4.33Å; F1683-Y1707 AromaticContact CZ-CD2 3.84Å; F1683-Y1707 HydrophobicContact CZ-CD2 3.89Å; F1683-Y1707 AromaticContact CZ-CE2 3.93Å; F1683-Y1707 HydrophobicContact CZ-CE2 4.19Å; F1683-Y1707 AromaticContact CZ-CG 3.92Å; F1683-Y1707 HydrophobicContact CZ-CG 3.94Å; F1683-L1709 HydrophobicContact CB-CD1 4.18Å; F1683-L1709 HydrophobicContact CB-CD2 4.45Å; F1683-L1709 HydrophobicContact CD1-CD1 4.33Å; F1683-L1709 HydrophobicContact CD2-CD1 3.76Å; F1683-L1709 HydrophobicContact CD2-CD2 3.55Å; F1683-L1709 VanDerWaalsContact CD2-CD2 3.44Å; F1683-L1709 HydrophobicContact CD2-CG 4.23Å; F1683-L1709 HydrophobicContact CE2-CD1 4.27Å; F1683-L1709 HydrophobicContact CE2-CD2 3.92Å; F1683-L1709 HydrophobicContact CE2-CG 4.42Å; F1683-L1709 HydrophobicContact CG-CD1 3.87Å; F1683-L1709 HydrophobicContact CG-CD2 4.32Å; F1683-V1732 HydrophobicContact CE1-CG1 4.35Å; F1683-V1732 HydrophobicContact CE1-CG2 4.26Å; F1683-V1732 HydrophobicContact CE2-CG2 4.27Å; F1683-V1732 HydrophobicContact CZ-CB 4.19Å; F1683-V1732 HydrophobicContact CZ-CG1 4.02Å; F1683-V1732 HydrophobicContact CZ-CG2 4.02Å
1684R91.1Very high88.5Confident139.6 Ų139.654.9 Ų54.953%0.52729%0.291SS..EExtended strand (participates in β ladder)trans-136.7140.2171.324.7-178.6-175.2-119.7-5.6110.8N1651 I1692 T1693 A1695N1651-R1684 VanDerWaalsContact OD1-CZ 3.29Å; N1651-R1684 PolarHBondContact OD1-NH1 3.09Å; N1651-R1684 PolarHBondContact OD1-NH2 2.85Å; N1651-R1684 VanDerWaalsContact OD1-NH2 3.15Å; R1684-I1692 CarbonylContact O-C 3.27Å; R1684-I1692 VanDerWaalsContact O-CA 3.27Å; R1684-I1692 WeakPolarHBondContact O-CA 3.3Å; R1684-T1693 WeakPolarHBondContact CG-OG1 3.43Å; R1684-T1693 VanDerWaalsContact CZ-OG1 3.26Å; R1684-T1693 PolarHBondContact N-O 3.04Å; R1684-T1693 PolarHBondContact NE-OG1 2.8Å; R1684-T1693 PolarHBondContact NH2-OG1 2.9Å; R1684-T1693 PolarHBondContact O-N 2.87Å; R1684-T1693 PolarHBondContact O-OG1 3.14Å; R1684-A1695 HydrophobicContact CB-CB 4.22Å; R1684-A1695 HydrophobicContact CG-CB 3.97Å
1685I93Very high88.3Confident37 Ų3755 Ų5519%0.1930%0.297CS..EExtended strand (participates in β ladder)trans-111.1145.3175.4-167.1165.6000112.3V1657 Y1672 I1674 K1687 V1691 I1692 V1711V1657-I1685 HydrophobicContact CG2-CD1 3.88Å; Y1672-I1685 HydrophobicContact CG-CD1 4.33Å; I1674-I1685 HydrophobicContact CB-CG2 4.17Å; I1674-I1685 HydrophobicContact CD1-CB 3.85Å; I1674-I1685 HydrophobicContact CD1-CG2 4.08Å; I1674-I1685 HydrophobicContact CG1-CB 3.88Å; I1674-I1685 HydrophobicContact CG1-CD1 4.31Å; I1674-I1685 HydrophobicContact CG1-CG2 3.76Å; I1674-I1685 VanDerWaalsContact N-CG2 3.34Å; I1685-K1687 PolarHBondContact O-N 2.62Å; I1685-V1691 CarbonylContact C-O 3.51Å; I1685-V1691 VanDerWaalsContact CA-O 3.27Å; I1685-V1691 WeakPolarHBondContact CA-O 3.23Å; I1685-I1692 HydrophobicContact CB-CG1 4.23Å; I1685-I1692 HydrophobicContact CD1-CD1 4.31Å; I1685-I1692 HydrophobicContact CD1-CG1 3.9Å; I1685-I1692 HydrophobicContact CG1-CG1 3.94Å; I1685-V1711 HydrophobicContact CD1-CB 4.46Å; I1685-V1711 HydrophobicContact CD1-CG1 3.61Å; I1685-V1711 VanDerWaalsContact CD1-CG1 3.46Å; I1685-V1711 HydrophobicContact CD1-CG2 4.21Å
1686N91.4Very high88.2Confident70 Ų7055 Ų5537%0.37429%0.289SS..  trans-86117.7170.1-176.7-27.9000111.3H1688 T1689 G1690 V1691N1686-H1688 VanDerWaalsContact C-N 3.27Å; N1686-H1688 PolarHBondContact O-N 3.06Å; N1686-H1688 PolarHBondContact OD1-N 3.16Å; N1686-T1689 VanDerWaalsContact CB-OG1 3.29Å; N1686-T1689 WeakPolarHBondContact CB-OG1 3.28Å; N1686-T1689 PolarHBondContact ND2-OG1 3.27Å; N1686-T1689 VanDerWaalsContact ND2-OG1 3.13Å; N1686-T1689 PolarHBondContact O-N 2.95Å; N1686-T1689 VanDerWaalsContact O-N 3.13Å; N1686-T1689 PolarHBondContact OD1-N 2.63Å; N1686-T1689 VanDerWaalsContact OD1-N 3.14Å; N1686-T1689 PolarHBondContact OD1-OG1 2.74Å; N1686-G1690 WeakPolarHBondContact O-CA 3.36Å; N1686-G1690 PolarHBondContact O-N 3.11Å; N1686-V1691 HydrophobicContact CB-CB 4.48Å; N1686-V1691 PolarHBondContact N-O 3.07Å
1687K89.1Confident88.2Confident119.2 Ų119.257.4 Ų57.452%0.51829%0.293SS..THydrogen-bonded Turntrans-61.3-19.2-17372.1174.4-174.81150116.9T1671 Y1672 I1685T1671-K1687 VanDerWaalsContact CA-O 3.23Å; T1671-K1687 WeakPolarHBondContact CA-O 3.41Å; Y1672-K1687 PolarHBondContact N-O 3Å; Y1672-K1687 VanDerWaalsContact O-CA 3.27Å; Y1672-K1687 WeakPolarHBondContact O-CA 3.45Å; I1685-K1687 PolarHBondContact O-N 2.62Å
1688H86.8Confident88.3Confident124.8 Ų124.856.1 Ų56.158%0.57828%0.28SS*.THydrogen-bonded Turntrans-108.1-22.5177.8-49.3123.4000113.2N1686N1686-H1688 VanDerWaalsContact C-N 3.27Å; N1686-H1688 PolarHBondContact O-N 3.06Å; N1686-H1688 PolarHBondContact OD1-N 3.16Å
1689T87.2Confident88.1Confident67.6 Ų67.657 Ų5742%0.41528%0.284SS..THydrogen-bonded Turntrans-115.5-6.9-172.6740000114.1T1656 N1686 V1691T1656-T1689 VanDerWaalsContact CG2-O 3.24Å; T1656-T1689 WeakPolarHBondContact CG2-O 3.4Å; N1686-T1689 VanDerWaalsContact CB-OG1 3.29Å; N1686-T1689 WeakPolarHBondContact CB-OG1 3.28Å; N1686-T1689 PolarHBondContact ND2-OG1 3.27Å; N1686-T1689 VanDerWaalsContact ND2-OG1 3.13Å; N1686-T1689 PolarHBondContact O-N 2.95Å; N1686-T1689 VanDerWaalsContact O-N 3.13Å; N1686-T1689 PolarHBondContact OD1-N 2.63Å; N1686-T1689 VanDerWaalsContact OD1-N 3.14Å; N1686-T1689 PolarHBondContact OD1-OG1 2.74Å; T1689-V1691 PolarHBondContact O-N 3.05Å; T1689-V1691 VanDerWaalsContact O-N 3.1Å; T1689-V1691 WeakPolarHBondContact OG1-CG2 3.3Å
1690G88.1Confident88.3Confident0 Ų055.9 Ų55.90%028%0.276CS..  trans70.54177.300000116T1656 V1657 N1686 I1692T1656-G1690 CarbonylContact C-O 3.59Å; T1656-G1690 WeakPolarHBondContact CA-O 3.39Å; V1657-G1690 WeakPolarHBondContact CG2-O 3.35Å; V1657-G1690 PolarHBondContact N-O 3.14Å; V1657-G1690 WeakPolarHBondContact O-CA 3.31Å; N1686-G1690 WeakPolarHBondContact O-CA 3.36Å; N1686-G1690 PolarHBondContact O-N 3.11Å; G1690-I1692 PolarHBondContact O-N 3.19Å
1691V91.1Very high88.3Confident40.6 Ų40.653.5 Ų53.525%0.24626%0.263CS..EExtended strand (participates in β ladder)trans-73.2124-177.8-179.20000110.6I1655 T1656 I1685 N1686 T1689 T1693I1655-V1691 CarbonylContact O-C 3.52Å; I1655-V1691 WeakPolarHBondContact O-CA 3.14Å; T1656-V1691 HydrophobicContact CG2-CG2 3.87Å; I1685-V1691 CarbonylContact C-O 3.51Å; I1685-V1691 VanDerWaalsContact CA-O 3.27Å; I1685-V1691 WeakPolarHBondContact CA-O 3.23Å; N1686-V1691 HydrophobicContact CB-CB 4.48Å; N1686-V1691 PolarHBondContact N-O 3.07Å; T1689-V1691 PolarHBondContact O-N 3.05Å; T1689-V1691 VanDerWaalsContact O-N 3.1Å; T1689-V1691 WeakPolarHBondContact OG1-CG2 3.3Å; V1691-T1693 HydrophobicContact CG1-CG2 4.18Å
1692I91.4Very high88Confident0.8 Ų0.851.5 Ų51.50%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-99.7131175.2-54.8178.4000109.8S1653 L1654 I1655 V1657 I1674 F1683 R1684 I1685 G1690 L1709 V1711 V1730S1653-I1692 CarbonylContact C-O 3.19Å; L1654-I1692 HydrophobicContact CD1-CG2 4.17Å; L1654-I1692 PolarHBondContact N-O 3.05Å; I1655-I1692 HydrophobicContact CG2-CB 4.34Å; I1655-I1692 HydrophobicContact CG2-CD1 4.07Å; I1655-I1692 HydrophobicContact CG2-CG1 4.45Å; I1655-I1692 PolarHBondContact N-O 3.32Å; I1655-I1692 WeakPolarHBondContact O-CA 3.38Å; I1655-I1692 WeakPolarHBondContact O-CB 3.21Å; I1655-I1692 PolarHBondContact O-N 3.14Å; V1657-I1692 HydrophobicContact CG1-CD1 4.13Å; V1657-I1692 HydrophobicContact CG2-CD1 4.37Å; I1674-I1692 HydrophobicContact CD1-CD1 4.37Å; I1674-I1692 HydrophobicContact CD1-CG1 4.47Å; I1674-I1692 HydrophobicContact CD1-CG2 4.33Å; F1683-I1692 HydrophobicContact CB-CG2 4.12Å; F1683-I1692 HydrophobicContact CD1-CG2 4.23Å; F1683-I1692 HydrophobicContact CG-CG2 4.42Å; R1684-I1692 CarbonylContact O-C 3.27Å; R1684-I1692 VanDerWaalsContact O-CA 3.27Å; R1684-I1692 WeakPolarHBondContact O-CA 3.3Å; I1685-I1692 HydrophobicContact CB-CG1 4.23Å; I1685-I1692 HydrophobicContact CD1-CD1 4.31Å; I1685-I1692 HydrophobicContact CD1-CG1 3.9Å; I1685-I1692 HydrophobicContact CG1-CG1 3.94Å; G1690-I1692 PolarHBondContact O-N 3.19Å; I1692-L1709 HydrophobicContact CD1-CD1 4.3Å; I1692-L1709 HydrophobicContact CG2-CD1 4.16Å; I1692-V1711 HydrophobicContact CD1-CG2 4.05Å; I1692-V1730 HydrophobicContact CD1-CB 4.31Å; I1692-V1730 HydrophobicContact CD1-CG1 4.24Å; I1692-V1730 HydrophobicContact CD1-CG2 3.86Å
1693T90.5Very high87.8Confident27.6 Ų27.651.7 Ų51.717%0.16925%0.253CS..EExtended strand (participates in β ladder)trans-129.3145.4179.550.90000111.8T1652 S1653 L1654 F1683 R1684 V1691 A1695T1652-T1693 CarbonylContact O-C 3.48Å; T1652-T1693 VanDerWaalsContact O-CA 3.27Å; T1652-T1693 WeakPolarHBondContact O-CA 3.33Å; T1652-T1693 VanDerWaalsContact O-CB 3.27Å; T1652-T1693 WeakPolarHBondContact O-CB 3.28Å; T1652-T1693 VanDerWaalsContact O-CG2 3.31Å; T1652-T1693 WeakPolarHBondContact O-CG2 3.16Å; S1653-T1693 VanDerWaalsContact OG-CG2 3.3Å; S1653-T1693 WeakPolarHBondContact OG-CG2 3.26Å; L1654-T1693 VanDerWaalsContact CD1-C 3.49Å; F1683-T1693 CarbonylContact C-O 3.52Å; F1683-T1693 VanDerWaalsContact CA-O 3.25Å; F1683-T1693 WeakPolarHBondContact CA-O 3.36Å; R1684-T1693 WeakPolarHBondContact CG-OG1 3.43Å; R1684-T1693 VanDerWaalsContact CZ-OG1 3.26Å; R1684-T1693 PolarHBondContact N-O 3.04Å; R1684-T1693 PolarHBondContact NE-OG1 2.8Å; R1684-T1693 PolarHBondContact NH2-OG1 2.9Å; R1684-T1693 PolarHBondContact O-N 2.87Å; R1684-T1693 PolarHBondContact O-OG1 3.14Å; V1691-T1693 HydrophobicContact CG1-CG2 4.18Å; T1693-A1695 PolarHBondContact O-N 2.82Å
1694A88.6Confident87.2Confident0.2 Ų0.259 Ų590%0.00229%0.287CS..EExtended strand (participates in β ladder)trans-74.9125172.500000110.1T1649 N1651 T1652 L1654 T1682 F1683T1649-A1694 VanDerWaalsContact O-CB 3.29Å; T1649-A1694 WeakPolarHBondContact O-CB 3.29Å; N1651-A1694 VanDerWaalsContact CA-O 3.26Å; N1651-A1694 WeakPolarHBondContact CA-O 3.4Å; N1651-A1694 PolarHBondContact N-O 3.16Å; T1652-A1694 PolarHBondContact O-N 2.96Å; T1652-A1694 VanDerWaalsContact O-N 3.12Å; L1654-A1694 HydrophobicContact CD1-CB 4.08Å; L1654-A1694 VanDerWaalsContact CD1-N 3.31Å; L1654-A1694 HydrophobicContact CD2-CB 4.27Å; L1654-A1694 HydrophobicContact CG-CB 4.02Å; T1682-A1694 CarbonylContact O-C 3.45Å; T1682-A1694 VanDerWaalsContact O-CA 3.3Å; T1682-A1694 WeakPolarHBondContact O-CA 3.35Å; F1683-A1694 HydrophobicContact CD1-CB 4.16Å; F1683-A1694 HydrophobicContact CE1-CB 4.13Å
1695A86.8Confident86.8Confident34.4 Ų34.452.9 Ų52.928%0.28427%0.267SS..SBendtrans-99.6-12.2177.800000113.1T1682 R1684 T1693T1682-A1695 WeakPolarHBondContact O-CA 3.45Å; T1682-A1695 WeakPolarHBondContact O-CB 3.18Å; T1682-A1695 PolarHBondContact O-N 3.11Å; R1684-A1695 HydrophobicContact CB-CB 4.22Å; R1684-A1695 HydrophobicContact CG-CB 3.97Å; T1693-A1695 PolarHBondContact O-N 2.82Å
1696K85.6Confident86.6Confident91.2 Ų91.257.6 Ų57.640%0.39728%0.283SS..SBendtrans-137.7169.7176.5-64.7-178.1175.3178.90109.8I1680 T1682I1680-K1696 HydrophobicContact CG2-CD 3.94Å; I1680-K1696 WeakPolarHBondContact O-CD 3.09Å; I1680-K1696 WeakPolarHBondContact O-CE 3.29Å; I1680-K1696 PolarHBondContact O-NZ 2.89Å; T1682-K1696 HydrophobicContact CG2-CB 4.29Å; T1682-K1696 PolarHBondContact O-N 3.05Å; T1682-K1696 VanDerWaalsContact O-N 3.17Å
1697E86Confident86.4Confident91.4 Ų91.454.4 Ų54.443%0.42727%0.265SS..  trans-60.7143.9169.1-170.3158.3-16600110.7G1646 P1647 T1649 I1650G1646-E1697 WeakPolarHBondContact CA-OE1 3.36Å; G1646-E1697 WeakPolarHBondContact O-CG 3.48Å; P1647-E1697 WeakPolarHBondContact CA-OE1 3.37Å; P1647-E1697 VanDerWaalsContact CB-OE1 3.31Å; P1647-E1697 WeakPolarHBondContact CB-OE1 3.36Å; P1647-E1697 VanDerWaalsContact CD-OE1 3.28Å; P1647-E1697 WeakPolarHBondContact CD-OE1 3.43Å; P1647-E1697 VanDerWaalsContact N-OE1 3.1Å; T1649-E1697 WeakPolarHBondContact OG1-CA 3.16Å; I1650-E1697 HydrophobicContact CD1-CB 4.2Å; I1650-E1697 HydrophobicContact CG1-CB 4.12Å; I1650-E1697 HydrophobicContact CG1-CG 4.43Å
1698L87Confident86.4Confident1.6 Ų1.651.9 Ų51.91%0.00826%0.26CS..BIsolated β-bridgetrans-89.2141.3169.2-58-179.9000109.2L1643 E1645 G1646 T1649 L1654 T1682 F1683 Y1707 V1732 V1734L1643-L1698 HydrophobicContact CB-CD1 3.86Å; L1643-L1698 HydrophobicContact CD1-CD1 3.87Å; L1643-L1698 VanDerWaalsContact CD1-CD1 3.5Å; L1643-L1698 HydrophobicContact CD2-CD1 4.34Å; L1643-L1698 HydrophobicContact CG-CD1 4.27Å; E1645-L1698 HydrophobicContact CB-CB 4.41Å; G1646-L1698 PolarHBondContact N-O 3.07Å; T1649-L1698 HydrophobicContact CG2-CB 4.13Å; T1649-L1698 HydrophobicContact CG2-CD1 3.86Å; T1649-L1698 HydrophobicContact CG2-CG 3.97Å; T1649-L1698 PolarHBondContact OG1-N 3Å; T1649-L1698 VanDerWaalsContact OG1-N 3.15Å; L1654-L1698 HydrophobicContact CD2-CD1 4.22Å; T1682-L1698 HydrophobicContact CG2-CD2 3.78Å; F1683-L1698 HydrophobicContact CE1-CD2 4.04Å; F1683-L1698 HydrophobicContact CZ-CD2 3.92Å; L1698-Y1707 HydrophobicContact CD2-CD2 4.23Å; L1698-Y1707 HydrophobicContact CD2-CE2 3.83Å; L1698-V1732 HydrophobicContact CD1-CG1 4.49Å; L1698-V1734 HydrophobicContact CB-CG1 4.3Å; L1698-V1734 HydrophobicContact CB-CG2 4.29Å; L1698-V1734 HydrophobicContact CD1-CG2 4.23Å
1699D84.9Confident86.5Confident52.8 Ų52.846 Ų4628%0.28223%0.232SC..  trans-144.9124.6-171.1168.7-44.2000105.8E1645 E1701 I1702 S1703 Y1707E1645-D1699 WeakPolarHBondContact OE2-CA 3.03Å; D1699-E1701 PolarHBondContact OD1-N 3.02Å; D1699-I1702 HydrophobicContact CB-CB 4.19Å; D1699-I1702 HydrophobicContact CB-CD1 4.18Å; D1699-I1702 HydrophobicContact CB-CG1 4.29Å; D1699-I1702 VanDerWaalsContact CG-CG1 3.49Å; D1699-I1702 VanDerWaalsContact OD1-CB 3.25Å; D1699-I1702 WeakPolarHBondContact OD1-CB 3.39Å; D1699-I1702 VanDerWaalsContact OD1-CG1 3.23Å; D1699-I1702 WeakPolarHBondContact OD1-CG1 3.4Å; D1699-I1702 PolarHBondContact OD1-N 3.08Å; D1699-I1702 WeakPolarHBondContact OD2-CD1 3.27Å; D1699-I1702 WeakPolarHBondContact OD2-CG1 3.39Å; D1699-S1703 VanDerWaalsContact O-CB 3.3Å; D1699-S1703 WeakPolarHBondContact O-CB 3.4Å; D1699-S1703 PolarHBondContact O-N 3.05Å; D1699-S1703 PolarHBondContact O-OG 3.01Å; D1699-Y1707 PolarHBondContact O-OH 2.96Å
1700Y86.5Confident86.7Confident51 Ų5145.7 Ų45.720%0.223%0.228CC..Hα-helixtrans-72.4-43-174.3-174.9-85.9000110.9E1645 I1702 S1703 H1704 G1705 V1734 D1736 S1773E1645-Y1700 VanDerWaalsContact OE1-CB 3.3Å; E1645-Y1700 WeakPolarHBondContact OE1-CB 3.25Å; E1645-Y1700 WeakPolarHBondContact OE2-CA 3.15Å; E1645-Y1700 VanDerWaalsContact OE2-CB 3.26Å; E1645-Y1700 WeakPolarHBondContact OE2-CB 3.17Å; E1645-Y1700 PolarHBondContact OE2-N 3.02Å; Y1700-I1702 VanDerWaalsContact C-N 3.32Å; Y1700-I1702 PolarHBondContact O-N 2.86Å; Y1700-S1703 CarbonylContact O-C 3.35Å; Y1700-S1703 PolarHBondContact O-N 2.95Å; Y1700-S1703 VanDerWaalsContact O-N 3.1Å; Y1700-S1703 PolarHBondContact O-OG 3.01Å; Y1700-S1703 VanDerWaalsContact O-OG 3.12Å; Y1700-H1704 VanDerWaalsContact O-CA 3.28Å; Y1700-H1704 WeakPolarHBondContact O-CA 3.35Å; Y1700-H1704 PolarHBondContact O-N 3.01Å; Y1700-G1705 VanDerWaalsContact CD2-CA 3.47Å; Y1700-G1705 PolarHBondContact O-N 2.95Å; Y1700-V1734 HydrophobicContact CD2-CB 4.22Å; Y1700-V1734 HydrophobicContact CD2-CG1 4.22Å; Y1700-V1734 VanDerWaalsContact CD2-O 3.23Å; Y1700-V1734 WeakPolarHBondContact CD2-O 3.37Å; Y1700-V1734 VanDerWaalsContact CE2-O 3.26Å; Y1700-V1734 WeakPolarHBondContact CE2-O 3.34Å; Y1700-D1736 HydrophobicContact CD1-CB 3.93Å; Y1700-D1736 WeakPolarHBondContact CD1-OD1 3.28Å; Y1700-D1736 HydrophobicContact CD2-CB 3.77Å; Y1700-D1736 VanDerWaalsContact CD2-N 3.31Å; Y1700-D1736 HydrophobicContact CE1-CB 3.95Å; Y1700-D1736 VanDerWaalsContact CE1-OD1 3.28Å; Y1700-D1736 WeakPolarHBondContact CE1-OD1 3.35Å; Y1700-D1736 HydrophobicContact CE2-CB 3.74Å; Y1700-D1736 HydrophobicContact CG-CB 3.93Å; Y1700-S1773 WeakPolarHBondContact CE1-OG 3.36Å; Y1700-S1773 VanDerWaalsContact OH-CB 3.32Å; Y1700-S1773 WeakPolarHBondContact OH-CB 3.36Å; Y1700-S1773 PolarHBondContact OH-OG 2.89Å; Y1700-S1773 VanDerWaalsContact OH-OG 3.11Å
1701E83.9Confident86.8Confident44.2 Ų44.245.7 Ų45.721%0.20723%0.228CC..Hα-helixtrans-61.9-37.4-179.2-75.254.4-107.500112D1699 S1703 H1704 N1740 R1771D1699-E1701 PolarHBondContact OD1-N 3.02Å; E1701-S1703 VanDerWaalsContact C-N 3.3Å; E1701-H1704 PolarHBondContact O-CE1 2.93Å; E1701-H1704 PolarHBondContact O-ND1 3.04Å; E1701-N1740 PolarHBondContact OE2-ND2 2.89Å; E1701-R1771 HydrophobicContact CG-CB 3.72Å
1702I81.5Confident86.9Confident77.8 Ų77.844.7 Ų44.740%0.39922%0.222SC..Hα-helixtrans-75-35.3177.3-71.7178.1000111.8I1679 I1680 D1699 Y1700I1679-I1702 HydrophobicContact CG2-CG2 3.83Å; I1680-I1702 HydrophobicContact CD1-CD1 4.06Å; I1680-I1702 HydrophobicContact CD1-CG1 4.31Å; I1680-I1702 HydrophobicContact CD1-CG2 3.72Å; I1680-I1702 HydrophobicContact CG1-CG2 4.33Å; D1699-I1702 HydrophobicContact CB-CB 4.19Å; D1699-I1702 HydrophobicContact CB-CD1 4.18Å; D1699-I1702 HydrophobicContact CB-CG1 4.29Å; D1699-I1702 VanDerWaalsContact CG-CG1 3.49Å; D1699-I1702 VanDerWaalsContact OD1-CB 3.25Å; D1699-I1702 WeakPolarHBondContact OD1-CB 3.39Å; D1699-I1702 VanDerWaalsContact OD1-CG1 3.23Å; D1699-I1702 WeakPolarHBondContact OD1-CG1 3.4Å; D1699-I1702 PolarHBondContact OD1-N 3.08Å; D1699-I1702 WeakPolarHBondContact OD2-CD1 3.27Å; D1699-I1702 WeakPolarHBondContact OD2-CG1 3.39Å; Y1700-I1702 VanDerWaalsContact C-N 3.32Å; Y1700-I1702 PolarHBondContact O-N 2.86Å
1703S81Confident86.9Confident8.2 Ų8.244.7 Ų44.76%0.05722%0.222CC..Hα-helixtrans-93.7-12.9-175.965.80000114.2D1699 Y1700 E1701 G1705 R1706 Y1707 V1734D1699-S1703 VanDerWaalsContact O-CB 3.3Å; D1699-S1703 WeakPolarHBondContact O-CB 3.4Å; D1699-S1703 PolarHBondContact O-N 3.05Å; D1699-S1703 PolarHBondContact O-OG 3.01Å; Y1700-S1703 CarbonylContact O-C 3.35Å; Y1700-S1703 PolarHBondContact O-N 2.95Å; Y1700-S1703 VanDerWaalsContact O-N 3.1Å; Y1700-S1703 PolarHBondContact O-OG 3.01Å; Y1700-S1703 VanDerWaalsContact O-OG 3.12Å; E1701-S1703 VanDerWaalsContact C-N 3.3Å; S1703-G1705 PolarHBondContact O-N 3.16Å; S1703-G1705 PolarHBondContact OG-N 2.97Å; S1703-R1706 CarbonylContact O-C 3.59Å; S1703-R1706 PolarHBondContact O-N 3.07Å; S1703-R1706 VanDerWaalsContact O-N 3.15Å; S1703-Y1707 VanDerWaalsContact CB-CE2 3.46Å; S1703-V1734 WeakPolarHBondContact OG-CG2 3.19Å
1704H80.5Confident86.9Confident159.2 Ų159.244.8 Ų44.874%0.73722%0.222SC*.THydrogen-bonded Turntrans48.542.3-167.1-53.8-40.8000111.7Y1700 E1701 R1706Y1700-H1704 VanDerWaalsContact O-CA 3.28Å; Y1700-H1704 WeakPolarHBondContact O-CA 3.35Å; Y1700-H1704 PolarHBondContact O-N 3.01Å; E1701-H1704 PolarHBondContact O-CE1 2.93Å; E1701-H1704 PolarHBondContact O-ND1 3.04Å; H1704-R1706 VanDerWaalsContact C-N 3.3Å; H1704-R1706 PolarHBondContact O-N 2.98Å
1705G81.5Confident87Confident11 Ų1144.8 Ų44.811%0.11322%0.222CC..THydrogen-bonded Turntrans77.9-1.3178.600000117Y1700 S1703 N1733 V1734Y1700-G1705 VanDerWaalsContact CD2-CA 3.47Å; Y1700-G1705 PolarHBondContact O-N 2.95Å; S1703-G1705 PolarHBondContact O-N 3.16Å; S1703-G1705 PolarHBondContact OG-N 2.97Å; G1705-N1733 CarbonylContact O-C 3.54Å; G1705-N1733 WeakPolarHBondContact O-CA 3.38Å; G1705-V1734 VanDerWaalsContact CA-O 3.32Å; G1705-V1734 WeakPolarHBondContact CA-O 3.46Å; G1705-V1734 PolarHBondContact O-N 2.74Å; G1705-V1734 VanDerWaalsContact O-O 3.1Å
1706R88.6Confident87.1Confident136.4 Ų136.445.9 Ų45.952%0.51522%0.222SC..EExtended strand (participates in β ladder)trans-159.4138.9175.9151.2174.886.9-180-3.1116.2S1703 H1704 T1708 L1731 V1732 N1733S1703-R1706 CarbonylContact O-C 3.59Å; S1703-R1706 PolarHBondContact O-N 3.07Å; S1703-R1706 VanDerWaalsContact O-N 3.15Å; H1704-R1706 VanDerWaalsContact C-N 3.3Å; H1704-R1706 PolarHBondContact O-N 2.98Å; R1706-T1708 HydrophobicContact CG-CG2 4.43Å; R1706-L1731 HydrophobicContact CB-CD1 4.24Å; R1706-L1731 HydrophobicContact CG-CD1 4.25Å; R1706-L1731 HydrophobicContact CG-CD2 4.46Å; R1706-V1732 CarbonylContact C-O 3.51Å; R1706-V1732 VanDerWaalsContact CA-O 3.28Å; R1706-V1732 WeakPolarHBondContact CA-O 3.34Å; R1706-N1733 WeakPolarHBondContact CD-OD1 3.44Å; R1706-N1733 WeakPolarHBondContact CG-OD1 3.41Å
1707Y87.3Confident87.1Confident3.4 Ų3.441.9 Ų41.91%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-100.6135.2162.4-56.3-102.7000111.1I1679 T1682 F1683 L1698 D1699 S1703 L1709 L1731 V1732 V1734I1679-Y1707 HydrophobicContact CB-CD1 4.04Å; I1679-Y1707 HydrophobicContact CB-CE1 3.85Å; I1679-Y1707 HydrophobicContact CD1-CD1 4.07Å; I1679-Y1707 HydrophobicContact CD1-CE1 4.36Å; I1679-Y1707 HydrophobicContact CG1-CD1 4.32Å; I1679-Y1707 HydrophobicContact CG1-CE1 4.41Å; I1679-Y1707 HydrophobicContact CG2-CE1 4.05Å; T1682-Y1707 HydrophobicContact CG2-CE1 4.26Å; F1683-Y1707 HydrophobicContact CD2-CD1 4.4Å; F1683-Y1707 AromaticContact CE2-CD1 3.61Å; F1683-Y1707 HydrophobicContact CE2-CD1 3.61Å; F1683-Y1707 VanDerWaalsContact CE2-CD1 3.48Å; F1683-Y1707 AromaticContact CE2-CD2 3.76Å; F1683-Y1707 HydrophobicContact CE2-CD2 3.97Å; F1683-Y1707 AromaticContact CE2-CE1 3.91Å; F1683-Y1707 HydrophobicContact CE2-CE1 4.05Å; F1683-Y1707 HydrophobicContact CE2-CE2 4.13Å; F1683-Y1707 AromaticContact CE2-CG 3.55Å; F1683-Y1707 HydrophobicContact CE2-CG 3.55Å; F1683-Y1707 VanDerWaalsContact CE2-CG 3.46Å; F1683-Y1707 HydrophobicContact CZ-CD1 4.33Å; F1683-Y1707 AromaticContact CZ-CD2 3.84Å; F1683-Y1707 HydrophobicContact CZ-CD2 3.89Å; F1683-Y1707 AromaticContact CZ-CE2 3.93Å; F1683-Y1707 HydrophobicContact CZ-CE2 4.19Å; F1683-Y1707 AromaticContact CZ-CG 3.92Å; F1683-Y1707 HydrophobicContact CZ-CG 3.94Å; L1698-Y1707 HydrophobicContact CD2-CD2 4.23Å; L1698-Y1707 HydrophobicContact CD2-CE2 3.83Å; D1699-Y1707 PolarHBondContact O-OH 2.96Å; S1703-Y1707 VanDerWaalsContact CB-CE2 3.46Å; Y1707-L1709 PolarHBondContact O-N 2.78Å; Y1707-L1731 CarbonylContact O-C 3.58Å; Y1707-L1731 VanDerWaalsContact O-CA 3.31Å; Y1707-L1731 WeakPolarHBondContact O-CA 3.2Å; Y1707-V1732 HydrophobicContact CD2-CB 4.26Å; Y1707-V1732 HydrophobicContact CD2-CG1 4.28Å; Y1707-V1732 PolarHBondContact N-O 2.95Å; Y1707-V1732 PolarHBondContact O-N 2.97Å; Y1707-V1734 HydrophobicContact CD2-CG2 4.05Å; Y1707-V1734 HydrophobicContact CE2-CG2 3.98Å
1708T88.9Confident86.9Confident65.8 Ų65.842.2 Ų42.240%0.40422%0.215SC..EExtended strand (participates in β ladder)trans-115.585.8176.8-14.40000110.1G1677 R1706 I1710 V1730 L1731G1677-T1708 WeakPolarHBondContact CA-O 3.27Å; R1706-T1708 HydrophobicContact CG-CG2 4.43Å; T1708-I1710 PolarHBondContact O-N 2.87Å; T1708-V1730 CarbonylContact C-O 3.56Å; T1708-L1731 HydrophobicContact CG2-CD1 4.47Å; T1708-L1731 HydrophobicContact CG2-CD2 3.64Å; T1708-L1731 WeakPolarHBondContact OG1-CD1 3.2Å; T1708-L1731 WeakPolarHBondContact OG1-CD2 3.28Å
1709L90.3Very high86.6Confident0 Ų046.3 Ų46.30%024%0.236CC..EExtended strand (participates in β ladder)trans-78.8135.5-176.7-45.6177.4000110.5I1674 A1676 G1677 N1678 F1683 I1692 Y1707 V1711 T1729 V1730 V1732I1674-L1709 HydrophobicContact CD1-CD1 4.47Å; I1674-L1709 HydrophobicContact CG2-CB 4.28Å; I1674-L1709 HydrophobicContact CG2-CD2 4.44Å; A1676-L1709 VanDerWaalsContact O-CA 3.3Å; A1676-L1709 WeakPolarHBondContact O-CA 3.29Å; G1677-L1709 VanDerWaalsContact C-CD2 3.46Å; G1677-L1709 WeakPolarHBondContact O-CD2 3.41Å; N1678-L1709 HydrophobicContact CB-CD2 4.27Å; F1683-L1709 HydrophobicContact CB-CD1 4.18Å; F1683-L1709 HydrophobicContact CB-CD2 4.45Å; F1683-L1709 HydrophobicContact CD1-CD1 4.33Å; F1683-L1709 HydrophobicContact CD2-CD1 3.76Å; F1683-L1709 HydrophobicContact CD2-CD2 3.55Å; F1683-L1709 VanDerWaalsContact CD2-CD2 3.44Å; F1683-L1709 HydrophobicContact CD2-CG 4.23Å; F1683-L1709 HydrophobicContact CE2-CD1 4.27Å; F1683-L1709 HydrophobicContact CE2-CD2 3.92Å; F1683-L1709 HydrophobicContact CE2-CG 4.42Å; F1683-L1709 HydrophobicContact CG-CD1 3.87Å; F1683-L1709 HydrophobicContact CG-CD2 4.32Å; I1692-L1709 HydrophobicContact CD1-CD1 4.3Å; I1692-L1709 HydrophobicContact CG2-CD1 4.16Å; Y1707-L1709 PolarHBondContact O-N 2.78Å; L1709-V1711 HydrophobicContact CB-CG2 4.37Å; L1709-T1729 CarbonylContact O-C 3.48Å; L1709-T1729 VanDerWaalsContact O-CA 3.25Å; L1709-T1729 WeakPolarHBondContact O-CA 3.34Å; L1709-T1729 WeakPolarHBondContact O-CB 3.24Å; L1709-V1730 HydrophobicContact CB-CB 4.16Å; L1709-V1730 WeakPolarHBondContact CB-O 3.43Å; L1709-V1730 HydrophobicContact CD1-CB 4.31Å; L1709-V1730 HydrophobicContact CD1-CG1 4.48Å; L1709-V1730 HydrophobicContact CG-CB 4.3Å; L1709-V1730 WeakPolarHBondContact CG-O 3.4Å; L1709-V1730 PolarHBondContact N-O 3.11Å; L1709-V1730 PolarHBondContact O-N 2.95Å; L1709-V1732 HydrophobicContact CD1-CG2 4.24Å; L1709-V1732 HydrophobicContact CG-CG2 4.5Å
1710I90.5Very high86.3Confident62 Ų6250.4 Ų50.432%0.31826%0.257SS..EExtended strand (participates in β ladder)trans-102.9122170.7-52.9-173.9000108.2I1674 V1675 A1676 T1708 T1727 T1729I1674-I1710 CarbonylContact C-O 3.26Å; I1674-I1710 WeakPolarHBondContact CA-O 3.43Å; V1675-I1710 HydrophobicContact CG2-CB 3.96Å; V1675-I1710 HydrophobicContact CG2-CG2 3.75Å; V1675-I1710 WeakPolarHBondContact CG2-O 3.36Å; V1675-I1710 PolarHBondContact N-O 3.12Å; A1676-I1710 HydrophobicContact CB-CB 4.11Å; A1676-I1710 HydrophobicContact CB-CD1 4.02Å; A1676-I1710 HydrophobicContact CB-CG1 4.09Å; A1676-I1710 PolarHBondContact O-N 3.11Å; T1708-I1710 PolarHBondContact O-N 2.87Å; I1710-T1727 HydrophobicContact CG2-CG2 4.2Å; I1710-T1729 HydrophobicContact CG1-CG2 4.28Å
1711V91.5Very high86Confident0 Ų052.8 Ų52.80%028%0.282CS..EExtended strand (participates in β ladder)trans-117.7133.5-176.1-176.70000109.7F1634 V1657 A1673 I1674 I1685 I1692 L1709 T1727 T1728 V1730F1634-V1711 HydrophobicContact CE1-CG1 4.1Å; F1634-V1711 HydrophobicContact CZ-CG1 4.25Å; V1657-V1711 HydrophobicContact CB-CG1 4.22Å; V1657-V1711 HydrophobicContact CG2-CG1 3.86Å; V1657-V1711 VanDerWaalsContact CG2-CG1 3.5Å; A1673-V1711 CarbonylContact O-C 3.54Å; A1673-V1711 VanDerWaalsContact O-CA 3.32Å; A1673-V1711 WeakPolarHBondContact O-CA 3.37Å; A1673-V1711 WeakPolarHBondContact O-CG1 3.2Å; I1674-V1711 HydrophobicContact CG1-CG2 4.12Å; I1685-V1711 HydrophobicContact CD1-CB 4.46Å; I1685-V1711 HydrophobicContact CD1-CG1 3.61Å; I1685-V1711 VanDerWaalsContact CD1-CG1 3.46Å; I1685-V1711 HydrophobicContact CD1-CG2 4.21Å; I1692-V1711 HydrophobicContact CD1-CG2 4.05Å; L1709-V1711 HydrophobicContact CB-CG2 4.37Å; V1711-T1727 CarbonylContact O-C 3.52Å; V1711-T1727 WeakPolarHBondContact O-CA 3.36Å; V1711-T1728 HydrophobicContact CB-CG2 4.01Å; V1711-T1728 HydrophobicContact CG1-CG2 4.12Å; V1711-T1728 PolarHBondContact N-O 2.99Å; V1711-T1728 PolarHBondContact O-N 3.13Å; V1711-V1730 HydrophobicContact CB-CG2 4.42Å; V1711-V1730 HydrophobicContact CG2-CB 4.46Å; V1711-V1730 HydrophobicContact CG2-CG2 3.73Å
1712T91.7Very high85.9Confident20.6 Ų20.655.8 Ų55.813%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-107.9144.1178.757.30000112Y1672 A1673 V1675 T1725 S1726 T1727Y1672-T1712 CarbonylContact C-O 3.44Å; Y1672-T1712 VanDerWaalsContact CA-O 3.31Å; Y1672-T1712 WeakPolarHBondContact CA-O 3.37Å; A1673-T1712 PolarHBondContact N-O 2.94Å; A1673-T1712 VanDerWaalsContact N-O 3.11Å; A1673-T1712 PolarHBondContact O-N 3Å; A1673-T1712 PolarHBondContact O-OG1 3.18Å; A1673-T1712 VanDerWaalsContact O-OG1 3.12Å; V1675-T1712 HydrophobicContact CB-CG2 4.3Å; V1675-T1712 HydrophobicContact CG1-CG2 3.78Å; V1675-T1712 VanDerWaalsContact CG1-CG2 3.47Å; V1675-T1712 WeakPolarHBondContact CG1-OG1 3.25Å; V1675-T1712 HydrophobicContact CG2-CG2 3.68Å; T1712-T1725 HydrophobicContact CG2-CG2 3.56Å; T1712-T1725 VanDerWaalsContact CG2-CG2 3.48Å; T1712-S1726 CarbonylContact C-O 3.54Å; T1712-S1726 VanDerWaalsContact CA-O 3.25Å; T1712-S1726 WeakPolarHBondContact CA-O 3.32Å; T1712-T1727 HydrophobicContact CG2-CG2 3.89Å
1713A91.3Very high86.3Confident0.2 Ų0.255.4 Ų55.40%0.00229%0.289CS..EExtended strand (participates in β ladder)trans-118.5128.9165.600000108.9P1632 F1634 A1659 V1670 T1671 Y1672 T1725 S1726P1632-A1713 HydrophobicContact CB-CB 3.91Å; P1632-A1713 HydrophobicContact CG-CB 4.44Å; F1634-A1713 HydrophobicContact CD1-CB 4.29Å; F1634-A1713 HydrophobicContact CD2-CB 4.32Å; F1634-A1713 HydrophobicContact CE1-CB 3.97Å; F1634-A1713 HydrophobicContact CE2-CB 3.56Å; F1634-A1713 VanDerWaalsContact CE2-CB 3.4Å; F1634-A1713 VanDerWaalsContact CE2-N 3.29Å; F1634-A1713 HydrophobicContact CZ-CB 3.36Å; F1634-A1713 VanDerWaalsContact CZ-CB 3.42Å; A1659-A1713 HydrophobicContact CB-CB 3.56Å; V1670-A1713 HydrophobicContact CG1-CB 3.74Å; T1671-A1713 CarbonylContact O-C 3.54Å; T1671-A1713 VanDerWaalsContact O-CA 3.25Å; T1671-A1713 WeakPolarHBondContact O-CA 3.41Å; Y1672-A1713 HydrophobicContact CD1-CB 4.11Å; Y1672-A1713 HydrophobicContact CE1-CB 4.05Å; A1713-T1725 CarbonylContact O-C 3.45Å; A1713-T1725 VanDerWaalsContact O-CA 3.28Å; A1713-T1725 WeakPolarHBondContact O-CA 3.24Å; A1713-T1725 WeakPolarHBondContact O-CG2 3.38Å; A1713-S1726 PolarHBondContact N-O 3.04Å; A1713-S1726 VanDerWaalsContact N-O 3.09Å; A1713-S1726 PolarHBondContact O-N 2.9Å
1714T90.6Very high86.6Confident29 Ų2957.8 Ų57.818%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-134.3132.6-173.5-58.60000110.5V1670 T1671 Q1716 R1723 L1724 T1725V1670-T1714 CarbonylContact C-O 3.3Å; V1670-T1714 WeakPolarHBondContact CA-O 3.14Å; T1671-T1714 PolarHBondContact N-O 3.07Å; T1671-T1714 PolarHBondContact O-N 3.2Å; T1671-T1714 PolarHBondContact OG1-O 2.93Å; T1714-Q1716 PolarHBondContact O-NE2 2.91Å; T1714-R1723 HydrophobicContact CG2-CB 4.2Å; T1714-L1724 WeakPolarHBondContact CA-O 3.2Å; T1714-T1725 WeakPolarHBondContact CB-OG1 3.22Å; T1714-T1725 HydrophobicContact CG2-CG2 3.59Å; T1714-T1725 VanDerWaalsContact CG2-CG2 3.44Å; T1714-T1725 VanDerWaalsContact CG2-OG1 3.26Å; T1714-T1725 WeakPolarHBondContact CG2-OG1 3.3Å; T1714-T1725 VanDerWaalsContact OG1-CG2 3.3Å; T1714-T1725 WeakPolarHBondContact OG1-CG2 3.42Å; T1714-T1725 PolarHBondContact OG1-OG1 3.09Å
1715D91.1Very high87Confident0.4 Ų0.453.8 Ų53.80%0.00229%0.287CS..  trans-62.2175.5174.971.646.2000112.9N1628 P1632 D1661 N1667 T1669 C1717 R1723 L1724N1628-D1715 PolarHBondContact ND2-OD2 2.89Å; N1628-D1715 PolarHBondContact OD1-OD2 2.9Å; P1632-D1715 HydrophobicContact CG-CB 4.11Å; D1661-D1715 WeakPolarHBondContact OD2-CB 3.4Å; N1667-D1715 VanDerWaalsContact O-CB 3.23Å; N1667-D1715 WeakPolarHBondContact O-CB 3.33Å; T1669-D1715 CarbonylContact O-C 3.48Å; T1669-D1715 VanDerWaalsContact O-C 3.23Å; T1669-D1715 VanDerWaalsContact O-CA 3.26Å; T1669-D1715 WeakPolarHBondContact O-CA 3.37Å; D1715-C1717 VanDerWaalsContact OD1-CB 3.28Å; D1715-C1717 WeakPolarHBondContact OD1-CB 3.26Å; D1715-C1717 PolarHBondContact OD1-N 3.02Å; D1715-R1723 PolarHBondContact O-NH1 3.2Å; D1715-R1723 VanDerWaalsContact OD1-CA 3.28Å; D1715-R1723 WeakPolarHBondContact OD1-CA 3.3Å; D1715-R1723 VanDerWaalsContact OD1-CB 3.28Å; D1715-R1723 WeakPolarHBondContact OD1-CB 3.36Å; D1715-R1723 VanDerWaalsContact OD1-CG 3.32Å; D1715-R1723 WeakPolarHBondContact OD1-CG 3.33Å; D1715-R1723 VanDerWaalsContact OD2-CA 3.29Å; D1715-R1723 WeakPolarHBondContact OD2-CA 3.3Å; D1715-L1724 VanDerWaalsContact CG-N 3.29Å; D1715-L1724 PolarHBondContact N-O 2.95Å; D1715-L1724 VanDerWaalsContact N-O 3.15Å; D1715-L1724 PolarHBondContact OD1-N 2.89Å; D1715-L1724 WeakPolarHBondContact OD2-CA 3.42Å; D1715-L1724 VanDerWaalsContact OD2-CB 3.25Å; D1715-L1724 WeakPolarHBondContact OD2-CB 3.13Å; D1715-L1724 PolarHBondContact OD2-N 2.95Å
1716Q88.9Confident87.3Confident57.4 Ų57.454.5 Ų54.527%0.26829%0.29SS..  trans-115.334173-61.9-57.7-73.400113.7P1666 T1669 T1671 T1714 R1723P1666-Q1716 WeakPolarHBondContact CB-O 3.38Å; P1666-Q1716 CarbonylContact O-C 3.53Å; P1666-Q1716 VanDerWaalsContact O-C 3.25Å; P1666-Q1716 VanDerWaalsContact O-CA 3.27Å; P1666-Q1716 WeakPolarHBondContact O-CA 3.28Å; P1666-Q1716 VanDerWaalsContact O-CB 3.28Å; P1666-Q1716 WeakPolarHBondContact O-CB 3.32Å; P1666-Q1716 PolarHBondContact O-N 2.8Å; P1666-Q1716 VanDerWaalsContact O-N 3.17Å; T1669-Q1716 HydrophobicContact CG2-CB 4.28Å; T1669-Q1716 HydrophobicContact CG2-CG 3.9Å; T1669-Q1716 VanDerWaalsContact O-CG 3.3Å; T1669-Q1716 WeakPolarHBondContact O-CG 3.35Å; T1669-Q1716 PolarHBondContact O-N 3.13Å; T1671-Q1716 HydrophobicContact CG2-CG 3.99Å; T1671-Q1716 VanDerWaalsContact CG2-NE2 3.27Å; T1671-Q1716 PolarHBondContact OG1-NE2 3.15Å; T1671-Q1716 VanDerWaalsContact OG1-NE2 3.07Å; T1714-Q1716 PolarHBondContact O-NE2 2.91Å; Q1716-R1723 VanDerWaalsContact C-NH2 3.27Å; Q1716-R1723 VanDerWaalsContact CD-NH1 3.3Å; Q1716-R1723 PolarHBondContact O-NH2 3.15Å; Q1716-R1723 VanDerWaalsContact O-NH2 3.16Å
1717C85.6Confident87.4Confident7.2 Ų7.252.5 Ų52.55%0.04929%0.294CS..  trans-45.8131.7173.5-168.50000110.2N1628 P1666 N1667 D1715 I1719 R1723N1628-C1717 HydrophobicContact CB-CB 4.46Å; N1628-C1717 VanDerWaalsContact OD1-CB 3.26Å; N1628-C1717 WeakPolarHBondContact OD1-CB 3.35Å; N1628-C1717 PolarHBondContact OD1-SG 3.2Å; N1628-C1717 VanDerWaalsContact OD1-SG 3.34Å; P1666-C1717 PolarHBondContact O-N 2.91Å; N1667-C1717 WeakPolarHBondContact OD1-CA 3.45Å; N1667-C1717 PolarHBondContact OD1-SG 3.07Å; N1667-C1717 VanDerWaalsContact OD1-SG 3.34Å; D1715-C1717 VanDerWaalsContact OD1-CB 3.28Å; D1715-C1717 WeakPolarHBondContact OD1-CB 3.26Å; D1715-C1717 PolarHBondContact OD1-N 3.02Å; C1717-I1719 PolarHBondContact O-N 2.88Å; C1717-I1719 VanDerWaalsContact O-N 3.16Å; C1717-R1723 HydrophobicContact CB-CG 3.86Å; C1717-R1723 WeakPolarHBondContact O-CG 3.3Å; C1717-R1723 VanDerWaalsContact O-CZ 3.27Å; C1717-R1723 PolarHBondContact O-NE 3.17Å; C1717-R1723 PolarHBondContact O-NH2 3.14Å
1718P81.2Confident87.5Confident97.8 Ų97.852.5 Ų52.564%0.63529%0.294SS*.SBendtrans-62.1-25.7-176.7-24.435.5000112.9P1666 L1720P1666-P1718 HydrophobicContact CB-CG 4.18Å; P1666-P1718 HydrophobicContact CG-CG 4.31Å; P1718-L1720 PolarHBondContact O-N 2.8Å
1719I80.8Confident87.6Confident87 Ų8752.1 Ų52.145%0.44629%0.292SS..SBendtrans-90.7104.5176.5-58.4176.2000108.2C1717 S1721 H1722 R1723C1717-I1719 PolarHBondContact O-N 2.88Å; C1717-I1719 VanDerWaalsContact O-N 3.16Å; I1719-S1721 VanDerWaalsContact CG2-OG 3.3Å; I1719-S1721 WeakPolarHBondContact CG2-OG 3.32Å; I1719-S1721 PolarHBondContact O-N 3.25Å; I1719-H1722 HydrophobicContact CB-CB 4.31Å; I1719-H1722 HydrophobicContact CG2-CB 4.29Å; I1719-H1722 PolarHBondContact O-N 2.92Å; I1719-R1723 PolarHBondContact O-N 2.96Å
1720L79.1Confident87.5Confident140 Ų14052.1 Ų52.173%0.73329%0.292SS*.THydrogen-bonded Turntrans-54.3-27.5-176-70.9173.9000114.6P1718 H1722P1718-L1720 PolarHBondContact O-N 2.8Å; L1720-H1722 VanDerWaalsContact C-N 3.32Å
1721S80.9Confident87.4Confident101.8 Ų101.850.6 Ų50.671%0.71228%0.284SS*.THydrogen-bonded Turntrans-83.2-12179.350.70000114.6I1719I1719-S1721 VanDerWaalsContact CG2-OG 3.3Å; I1719-S1721 WeakPolarHBondContact CG2-OG 3.32Å; I1719-S1721 PolarHBondContact O-N 3.25Å
1722H81.8Confident87.2Confident106.6 Ų106.650.7 Ų50.749%0.49428%0.284SS..THydrogen-bonded Turntrans-101.3-3.7178.1-64.5-173.8000112.4N1628 I1719 L1720 L1724N1628-H1722 PolarHBondContact ND2-O 2.75Å; I1719-H1722 HydrophobicContact CB-CB 4.31Å; I1719-H1722 HydrophobicContact CG2-CB 4.29Å; I1719-H1722 PolarHBondContact O-N 2.92Å; L1720-H1722 VanDerWaalsContact C-N 3.32Å; H1722-L1724 PolarHBondContact O-N 3.1Å; H1722-L1724 VanDerWaalsContact O-N 3.09Å
1723R88.4Confident87Confident69.6 Ų69.651.2 Ų51.226%0.26329%0.287SS..  trans-62.7120.8179-62.4-167.4171.3-154.6-9.1111.4T1714 D1715 Q1716 C1717 I1719T1714-R1723 HydrophobicContact CG2-CB 4.2Å; D1715-R1723 PolarHBondContact O-NH1 3.2Å; D1715-R1723 VanDerWaalsContact OD1-CA 3.28Å; D1715-R1723 WeakPolarHBondContact OD1-CA 3.3Å; D1715-R1723 VanDerWaalsContact OD1-CB 3.28Å; D1715-R1723 WeakPolarHBondContact OD1-CB 3.36Å; D1715-R1723 VanDerWaalsContact OD1-CG 3.32Å; D1715-R1723 WeakPolarHBondContact OD1-CG 3.33Å; D1715-R1723 VanDerWaalsContact OD2-CA 3.29Å; D1715-R1723 WeakPolarHBondContact OD2-CA 3.3Å; Q1716-R1723 VanDerWaalsContact C-NH2 3.27Å; Q1716-R1723 VanDerWaalsContact CD-NH1 3.3Å; Q1716-R1723 PolarHBondContact O-NH2 3.15Å; Q1716-R1723 VanDerWaalsContact O-NH2 3.16Å; C1717-R1723 HydrophobicContact CB-CG 3.86Å; C1717-R1723 WeakPolarHBondContact O-CG 3.3Å; C1717-R1723 VanDerWaalsContact O-CZ 3.27Å; C1717-R1723 PolarHBondContact O-NE 3.17Å; C1717-R1723 PolarHBondContact O-NH2 3.14Å; I1719-R1723 PolarHBondContact O-N 2.96Å
1724L87.7Confident86.7Confident58.2 Ų58.251.5 Ų51.531%0.30529%0.288SS..  trans-84.9148172.9-58.7178000109.9N1628 D1629 N1630 A1631 P1632 T1714 D1715 H1722N1628-L1724 WeakPolarHBondContact ND2-CG 2.97Å; N1628-L1724 WeakPolarHBondContact O-CD1 3.31Å; D1629-L1724 VanDerWaalsContact C-CD1 3.42Å; D1629-L1724 VanDerWaalsContact O-CD1 3.32Å; D1629-L1724 WeakPolarHBondContact O-CD1 3.38Å; N1630-L1724 VanDerWaalsContact C-CD1 3.49Å; N1630-L1724 WeakPolarHBondContact O-CD1 3.32Å; A1631-L1724 HydrophobicContact CB-CB 3.77Å; A1631-L1724 HydrophobicContact CB-CD1 4.11Å; A1631-L1724 HydrophobicContact CB-CG 4.34Å; P1632-L1724 WeakPolarHBondContact CD-O 3.29Å; P1632-L1724 WeakPolarHBondContact CG-O 3.49Å; T1714-L1724 WeakPolarHBondContact CA-O 3.2Å; D1715-L1724 VanDerWaalsContact CG-N 3.29Å; D1715-L1724 PolarHBondContact N-O 2.95Å; D1715-L1724 VanDerWaalsContact N-O 3.15Å; D1715-L1724 PolarHBondContact OD1-N 2.89Å; D1715-L1724 WeakPolarHBondContact OD2-CA 3.42Å; D1715-L1724 VanDerWaalsContact OD2-CB 3.25Å; D1715-L1724 WeakPolarHBondContact OD2-CB 3.13Å; D1715-L1724 PolarHBondContact OD2-N 2.95Å; H1722-L1724 PolarHBondContact O-N 3.1Å; H1722-L1724 VanDerWaalsContact O-N 3.09Å
1725T89.3Confident86.3Confident75.2 Ų75.253.7 Ų53.746%0.46130%0.299SS..EExtended strand (participates in β ladder)trans-145.7132.9-175-27.70000110T1712 A1713 T1714T1712-T1725 HydrophobicContact CG2-CG2 3.56Å; T1712-T1725 VanDerWaalsContact CG2-CG2 3.48Å; A1713-T1725 CarbonylContact O-C 3.45Å; A1713-T1725 VanDerWaalsContact O-CA 3.28Å; A1713-T1725 WeakPolarHBondContact O-CA 3.24Å; A1713-T1725 WeakPolarHBondContact O-CG2 3.38Å; T1714-T1725 WeakPolarHBondContact CB-OG1 3.22Å; T1714-T1725 HydrophobicContact CG2-CG2 3.59Å; T1714-T1725 VanDerWaalsContact CG2-CG2 3.44Å; T1714-T1725 VanDerWaalsContact CG2-OG1 3.26Å; T1714-T1725 WeakPolarHBondContact CG2-OG1 3.3Å; T1714-T1725 VanDerWaalsContact OG1-CG2 3.3Å; T1714-T1725 WeakPolarHBondContact OG1-CG2 3.42Å; T1714-T1725 PolarHBondContact OG1-OG1 3.09Å
1726S88.7Confident86Confident25 Ų2555.3 Ų55.318%0.17531%0.308CS..EExtended strand (participates in β ladder)trans-109.1163.4168.5660000111.7P1632 F1634 T1712 A1713P1632-S1726 WeakPolarHBondContact O-CB 3.37Å; P1632-S1726 PolarHBondContact O-OG 2.97Å; F1634-S1726 VanDerWaalsContact CD2-OG 3.27Å; F1634-S1726 WeakPolarHBondContact CD2-OG 3.3Å; F1634-S1726 WeakPolarHBondContact CE2-O 3.29Å; F1634-S1726 VanDerWaalsContact CE2-OG 3.28Å; F1634-S1726 WeakPolarHBondContact CE2-OG 3.1Å; T1712-S1726 CarbonylContact C-O 3.54Å; T1712-S1726 VanDerWaalsContact CA-O 3.25Å; T1712-S1726 WeakPolarHBondContact CA-O 3.32Å; A1713-S1726 PolarHBondContact N-O 3.04Å; A1713-S1726 VanDerWaalsContact N-O 3.09Å; A1713-S1726 PolarHBondContact O-N 2.9Å
1727T90.4Very high85.8Confident96 Ų9656.7 Ų56.759%0.58932%0.316SS*.EExtended strand (participates in β ladder)trans-131138.7179.459.90000110.5I1710 V1711 T1712I1710-T1727 HydrophobicContact CG2-CG2 4.2Å; V1711-T1727 CarbonylContact O-C 3.52Å; V1711-T1727 WeakPolarHBondContact O-CA 3.36Å; T1712-T1727 HydrophobicContact CG2-CG2 3.89Å
1728T89.2Confident85.8Confident3.4 Ų3.457.8 Ų57.82%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-128156.9169.7-172.30000110.2F1634 Q1636 P1637 Y1639 V1657 V1711 V1730F1634-T1728 HydrophobicContact CD1-CG2 3.73Å; F1634-T1728 HydrophobicContact CD2-CG2 3.83Å; F1634-T1728 HydrophobicContact CE1-CG2 3.66Å; F1634-T1728 HydrophobicContact CE2-CG2 3.75Å; F1634-T1728 HydrophobicContact CG-CG2 3.82Å; F1634-T1728 HydrophobicContact CZ-CG2 3.65Å; Q1636-T1728 PolarHBondContact O-OG1 3.45Å; P1637-T1728 PolarHBondContact O-OG1 3.07Å; P1637-T1728 VanDerWaalsContact O-OG1 3.11Å; Y1639-T1728 HydrophobicContact CD2-CG2 4.08Å; Y1639-T1728 VanDerWaalsContact CD2-OG1 3.27Å; Y1639-T1728 WeakPolarHBondContact CD2-OG1 3.48Å; Y1639-T1728 HydrophobicContact CE2-CG2 3.93Å; Y1639-T1728 WeakPolarHBondContact CE2-OG1 3.26Å; V1657-T1728 HydrophobicContact CG1-CG2 4.38Å; V1711-T1728 HydrophobicContact CB-CG2 4.01Å; V1711-T1728 HydrophobicContact CG1-CG2 4.12Å; V1711-T1728 PolarHBondContact N-O 2.99Å; V1711-T1728 PolarHBondContact O-N 3.13Å; T1728-V1730 HydrophobicContact CG2-CG2 4.47Å
1729T89.6Confident85.9Confident56.8 Ų56.858.1 Ų58.135%0.34832%0.318SS..EExtended strand (participates in β ladder)trans-103.2135.3174.452.70000110.8H1638 Y1639 L1709 I1710H1638-T1729 CarbonylContact C-O 3.53Å; H1638-T1729 VanDerWaalsContact CA-O 3.24Å; H1638-T1729 WeakPolarHBondContact CA-O 3.25Å; H1638-T1729 WeakPolarHBondContact CB-O 3.33Å; H1638-T1729 VanDerWaalsContact CB-OG1 3.28Å; H1638-T1729 WeakPolarHBondContact CB-OG1 3.28Å; Y1639-T1729 PolarHBondContact N-O 2.96Å; L1709-T1729 CarbonylContact O-C 3.48Å; L1709-T1729 VanDerWaalsContact O-CA 3.25Å; L1709-T1729 WeakPolarHBondContact O-CA 3.34Å; L1709-T1729 WeakPolarHBondContact O-CB 3.24Å; I1710-T1729 HydrophobicContact CG1-CG2 4.28Å
1730V89.1Confident86Confident0.4 Ų0.455.8 Ų55.80%0.00231%0.306CS..EExtended strand (participates in β ladder)trans-114.3110.9173.1-173.60000108.7Y1639 I1655 V1657 I1692 T1708 L1709 V1711 T1728 V1732Y1639-V1730 HydrophobicContact CD2-CG2 4.32Å; Y1639-V1730 HydrophobicContact CG-CG2 4.42Å; Y1639-V1730 CarbonylContact O-C 3.55Å; Y1639-V1730 VanDerWaalsContact O-CA 3.26Å; Y1639-V1730 WeakPolarHBondContact O-CA 3.25Å; I1655-V1730 HydrophobicContact CG2-CG1 3.73Å; I1655-V1730 HydrophobicContact CG2-CG2 4.38Å; V1657-V1730 HydrophobicContact CG1-CG2 3.93Å; I1692-V1730 HydrophobicContact CD1-CB 4.31Å; I1692-V1730 HydrophobicContact CD1-CG1 4.24Å; I1692-V1730 HydrophobicContact CD1-CG2 3.86Å; T1708-V1730 CarbonylContact C-O 3.56Å; L1709-V1730 HydrophobicContact CB-CB 4.16Å; L1709-V1730 WeakPolarHBondContact CB-O 3.43Å; L1709-V1730 HydrophobicContact CD1-CB 4.31Å; L1709-V1730 HydrophobicContact CD1-CG1 4.48Å; L1709-V1730 HydrophobicContact CG-CB 4.3Å; L1709-V1730 WeakPolarHBondContact CG-O 3.4Å; L1709-V1730 PolarHBondContact N-O 3.11Å; L1709-V1730 PolarHBondContact O-N 2.95Å; V1711-V1730 HydrophobicContact CB-CG2 4.42Å; V1711-V1730 HydrophobicContact CG2-CB 4.46Å; V1711-V1730 HydrophobicContact CG2-CG2 3.73Å; T1728-V1730 HydrophobicContact CG2-CG2 4.47Å; V1730-V1732 HydrophobicContact CG1-CG2 4.44Å
1731L89Confident86.3Confident30.6 Ų30.652.1 Ų52.116%0.1629%0.289CS..EExtended strand (participates in β ladder)trans-89122.3178.1-100.3131.5000109.5Y1639 E1640 V1641 R1706 Y1707 T1708 N1733Y1639-L1731 PolarHBondContact O-N 3.18Å; E1640-L1731 CarbonylContact C-O 3.54Å; E1640-L1731 VanDerWaalsContact CA-O 3.29Å; E1640-L1731 WeakPolarHBondContact CA-O 3.31Å; E1640-L1731 HydrophobicContact CB-CB 4.31Å; E1640-L1731 HydrophobicContact CG-CB 4.15Å; E1640-L1731 HydrophobicContact CG-CD2 4.36Å; E1640-L1731 HydrophobicContact CG-CG 4.49Å; E1640-L1731 WeakPolarHBondContact OE1-CD2 3.37Å; E1640-L1731 WeakPolarHBondContact OE2-CD1 3.25Å; V1641-L1731 PolarHBondContact N-O 2.95Å; R1706-L1731 HydrophobicContact CB-CD1 4.24Å; R1706-L1731 HydrophobicContact CG-CD1 4.25Å; R1706-L1731 HydrophobicContact CG-CD2 4.46Å; Y1707-L1731 CarbonylContact O-C 3.58Å; Y1707-L1731 VanDerWaalsContact O-CA 3.31Å; Y1707-L1731 WeakPolarHBondContact O-CA 3.2Å; T1708-L1731 HydrophobicContact CG2-CD1 4.47Å; T1708-L1731 HydrophobicContact CG2-CD2 3.64Å; T1708-L1731 WeakPolarHBondContact OG1-CD1 3.2Å; T1708-L1731 WeakPolarHBondContact OG1-CD2 3.28Å; L1731-N1733 WeakPolarHBondContact CG-OD1 3.33Å
1732V88Confident86.7Confident0.8 Ų0.847.2 Ų47.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-114.198.8173-175.40000107.3V1641 L1643 L1654 F1683 L1698 R1706 Y1707 L1709 V1730V1641-V1732 HydrophobicContact CG1-CB 4.17Å; V1641-V1732 HydrophobicContact CG1-CG1 4.08Å; V1641-V1732 HydrophobicContact CG1-CG2 3.85Å; V1641-V1732 CarbonylContact O-C 3.48Å; V1641-V1732 WeakPolarHBondContact O-CA 3.2Å; L1643-V1732 HydrophobicContact CD1-CG1 4.26Å; L1654-V1732 HydrophobicContact CD2-CB 4.3Å; L1654-V1732 HydrophobicContact CD2-CG1 3.66Å; L1654-V1732 HydrophobicContact CD2-CG2 3.64Å; L1654-V1732 VanDerWaalsContact CD2-CG2 3.46Å; F1683-V1732 HydrophobicContact CE1-CG1 4.35Å; F1683-V1732 HydrophobicContact CE1-CG2 4.26Å; F1683-V1732 HydrophobicContact CE2-CG2 4.27Å; F1683-V1732 HydrophobicContact CZ-CB 4.19Å; F1683-V1732 HydrophobicContact CZ-CG1 4.02Å; F1683-V1732 HydrophobicContact CZ-CG2 4.02Å; L1698-V1732 HydrophobicContact CD1-CG1 4.49Å; R1706-V1732 CarbonylContact C-O 3.51Å; R1706-V1732 VanDerWaalsContact CA-O 3.28Å; R1706-V1732 WeakPolarHBondContact CA-O 3.34Å; Y1707-V1732 HydrophobicContact CD2-CB 4.26Å; Y1707-V1732 HydrophobicContact CD2-CG1 4.28Å; Y1707-V1732 PolarHBondContact N-O 2.95Å; Y1707-V1732 PolarHBondContact O-N 2.97Å; L1709-V1732 HydrophobicContact CD1-CG2 4.24Å; L1709-V1732 HydrophobicContact CG-CG2 4.5Å; V1730-V1732 HydrophobicContact CG1-CG2 4.44Å
1733N85.8Confident86.9Confident32.8 Ų32.845.7 Ų45.718%0.17525%0.254CS..EExtended strand (participates in β ladder)trans-81.5140176.6-59.8-30.1000109.6E1640 V1641 V1642 L1643 G1705 R1706 L1731E1640-N1733 PolarHBondContact OE1-ND2 2.94Å; E1640-N1733 PolarHBondContact OE2-ND2 2.94Å; V1641-N1733 PolarHBondContact O-N 3.09Å; V1642-N1733 CarbonylContact C-O 3.42Å; V1642-N1733 VanDerWaalsContact CA-O 3.31Å; V1642-N1733 WeakPolarHBondContact CA-O 3.36Å; V1642-N1733 HydrophobicContact CB-CB 4.37Å; V1642-N1733 HydrophobicContact CG1-CB 4.36Å; V1642-N1733 HydrophobicContact CG2-CB 4.19Å; L1643-N1733 PolarHBondContact N-O 3.18Å; L1643-N1733 VanDerWaalsContact N-O 3.1Å; L1643-N1733 VanDerWaalsContact O-O 3.1Å; G1705-N1733 CarbonylContact O-C 3.54Å; G1705-N1733 WeakPolarHBondContact O-CA 3.38Å; R1706-N1733 WeakPolarHBondContact CD-OD1 3.44Å; R1706-N1733 WeakPolarHBondContact CG-OD1 3.41Å; L1731-N1733 WeakPolarHBondContact CG-OD1 3.33Å
1734V86.6Confident86.9Confident6 Ų643.5 Ų43.54%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-117136.1-179.6-172.60000108.8L1643 E1645 L1698 Y1700 S1703 G1705 Y1707L1643-V1734 CarbonylContact O-C 3.55Å; L1643-V1734 VanDerWaalsContact O-CA 3.23Å; L1643-V1734 WeakPolarHBondContact O-CA 3.35Å; E1645-V1734 HydrophobicContact CB-CG1 3.74Å; L1698-V1734 HydrophobicContact CB-CG1 4.3Å; L1698-V1734 HydrophobicContact CB-CG2 4.29Å; L1698-V1734 HydrophobicContact CD1-CG2 4.23Å; Y1700-V1734 HydrophobicContact CD2-CB 4.22Å; Y1700-V1734 HydrophobicContact CD2-CG1 4.22Å; Y1700-V1734 VanDerWaalsContact CD2-O 3.23Å; Y1700-V1734 WeakPolarHBondContact CD2-O 3.37Å; Y1700-V1734 VanDerWaalsContact CE2-O 3.26Å; Y1700-V1734 WeakPolarHBondContact CE2-O 3.34Å; S1703-V1734 WeakPolarHBondContact OG-CG2 3.19Å; G1705-V1734 VanDerWaalsContact CA-O 3.32Å; G1705-V1734 WeakPolarHBondContact CA-O 3.46Å; G1705-V1734 PolarHBondContact O-N 2.74Å; G1705-V1734 VanDerWaalsContact O-O 3.1Å; Y1707-V1734 HydrophobicContact CD2-CG2 4.05Å; Y1707-V1734 HydrophobicContact CE2-CG2 3.98Å
1735N82Confident86.6Confident74.6 Ų74.645.2 Ų45.240%0.39926%0.261SS..EExtended strand (participates in β ladder)trans-93.8137.6173.8-68.7-31.4000110.6V1642 L1643 D1644 E1645 I1737V1642-N1735 HydrophobicContact CG1-CB 4.03Å; V1642-N1735 WeakPolarHBondContact CG1-ND2 3.17Å; V1642-N1735 WeakPolarHBondContact CG1-OD1 3.27Å; L1643-N1735 PolarHBondContact O-N 2.95Å; D1644-N1735 VanDerWaalsContact OD1-CB 3.24Å; D1644-N1735 WeakPolarHBondContact OD1-CB 3.16Å; D1644-N1735 PolarHBondContact OD1-ND2 3.03Å; E1645-N1735 WeakPolarHBondContact CB-O 3.31Å; E1645-N1735 VanDerWaalsContact CG-O 3.25Å; E1645-N1735 WeakPolarHBondContact CG-O 3.36Å; E1645-N1735 PolarHBondContact N-O 2.72Å; N1735-I1737 PolarHBondContact O-N 2.79Å
1736D85Confident86.3Confident34 Ų3449.1 Ų49.118%0.18227%0.267CS..  trans-76.3129.3178.5-176.690000112.7E1645 Y1700 D1772 S1773 N1776E1645-D1736 WeakPolarHBondContact OE1-CA 3.22Å; Y1700-D1736 HydrophobicContact CD1-CB 3.93Å; Y1700-D1736 WeakPolarHBondContact CD1-OD1 3.28Å; Y1700-D1736 HydrophobicContact CD2-CB 3.77Å; Y1700-D1736 VanDerWaalsContact CD2-N 3.31Å; Y1700-D1736 HydrophobicContact CE1-CB 3.95Å; Y1700-D1736 VanDerWaalsContact CE1-OD1 3.28Å; Y1700-D1736 WeakPolarHBondContact CE1-OD1 3.35Å; Y1700-D1736 HydrophobicContact CE2-CB 3.74Å; Y1700-D1736 HydrophobicContact CG-CB 3.93Å; D1736-D1772 WeakPolarHBondContact OD1-CA 3.42Å; D1736-S1773 VanDerWaalsContact CG-CB 3.45Å; D1736-S1773 VanDerWaalsContact CG-N 3.35Å; D1736-S1773 WeakPolarHBondContact OD1-CA 3.34Å; D1736-S1773 WeakPolarHBondContact OD1-CB 3.27Å; D1736-S1773 PolarHBondContact OD1-N 3.1Å; D1736-S1773 PolarHBondContact OD1-OG 3.01Å; D1736-S1773 VanDerWaalsContact OD1-OG 3.04Å; D1736-S1773 WeakPolarHBondContact OD2-CB 3.38Å; D1736-S1773 PolarHBondContact OD2-N 3.1Å; D1736-S1773 VanDerWaalsContact OD2-N 3.11Å; D1736-N1776 PolarHBondContact O-ND2 3.14Å; D1736-N1776 WeakPolarHBondContact OD2-CB 3.29Å; D1736-N1776 PolarHBondContact OD2-ND2 3.02Å
1737I83.5Confident86Confident87.4 Ų87.454.7 Ų54.745%0.44830%0.295SS..  trans-119.2139.1176.1-61.8-64.4000110D1644 E1645 N1735 D1739D1644-I1737 HydrophobicContact CB-CD1 3.96Å; D1644-I1737 HydrophobicContact CB-CG1 4.03Å; E1645-I1737 HydrophobicContact CG-CB 3.99Å; E1645-I1737 HydrophobicContact CG-CG1 4.11Å; E1645-I1737 WeakPolarHBondContact OE1-CB 3.46Å; E1645-I1737 VanDerWaalsContact OE1-CG1 3.28Å; E1645-I1737 WeakPolarHBondContact OE1-CG1 3.26Å; E1645-I1737 PolarHBondContact OE1-N 3.26Å; N1735-I1737 PolarHBondContact O-N 2.79Å; I1737-D1739 HydrophobicContact CB-CB 4.33Å; I1737-D1739 HydrophobicContact CG2-CB 3.83Å; I1737-D1739 WeakPolarHBondContact O-CB 3.43Å; I1737-D1739 PolarHBondContact O-N 2.96Å; I1737-D1739 VanDerWaalsContact O-N 3.11Å
1738N85.3Confident85.9Confident30.2 Ų30.254.7 Ų54.716%0.16129%0.285CS..SBendtrans-69.690.6-179.1-164.5107.4000112.8D1772 N1776 D1825 G1827 L1831N1738-D1772 VanDerWaalsContact C-OD2 3.25Å; N1738-D1772 VanDerWaalsContact CA-OD2 3.23Å; N1738-D1772 WeakPolarHBondContact CA-OD2 3.37Å; N1738-D1772 PolarHBondContact ND2-OD2 2.8Å; N1738-D1772 PolarHBondContact OD1-OD2 2.74Å; N1738-N1776 HydrophobicContact CB-CB 4.12Å; N1738-N1776 WeakPolarHBondContact CB-ND2 3.25Å; N1738-N1776 PolarHBondContact N-ND2 2.89Å; N1738-N1776 WeakPolarHBondContact OD1-CA 3.29Å; N1738-N1776 WeakPolarHBondContact OD1-CB 3.17Å; N1738-N1776 PolarHBondContact OD1-OD1 3.27Å; N1738-N1776 VanDerWaalsContact OD1-OD1 3.06Å; N1738-D1825 VanDerWaalsContact ND2-CG 3.27Å; N1738-D1825 PolarHBondContact ND2-OD1 3.18Å; N1738-D1825 PolarHBondContact ND2-OD2 2.94Å; N1738-D1825 PolarHBondContact OD1-OD1 3.25Å; N1738-D1825 PolarHBondContact OD1-OD2 2.61Å; N1738-G1827 WeakPolarHBondContact OD1-CA 3.44Å; N1738-L1831 VanDerWaalsContact ND2-CB 3.35Å; N1738-L1831 WeakPolarHBondContact ND2-CB 3.35Å; N1738-L1831 WeakPolarHBondContact ND2-CD1 3.16Å; N1738-L1831 WeakPolarHBondContact ND2-CG 3.35Å; N1738-L1831 PolarHBondContact ND2-N 2.92Å; N1738-L1831 WeakPolarHBondContact O-CD1 3.3Å
1739D82.9Confident85.7Confident103.4 Ų103.456.4 Ų56.455%0.55329%0.293SS*.  trans-123.5-18.9-173.2123.2-45000114I1737 D1772I1737-D1739 HydrophobicContact CB-CB 4.33Å; I1737-D1739 HydrophobicContact CG2-CB 3.83Å; I1737-D1739 WeakPolarHBondContact O-CB 3.43Å; I1737-D1739 PolarHBondContact O-N 2.96Å; I1737-D1739 VanDerWaalsContact O-N 3.11Å; D1739-D1772 VanDerWaalsContact N-CG 3.34Å; D1739-D1772 PolarHBondContact N-OD1 2.9Å; D1739-D1772 VanDerWaalsContact N-OD1 3.08Å; D1739-D1772 PolarHBondContact N-OD2 2.99Å; D1739-D1772 VanDerWaalsContact N-OD2 3.12Å
1740N83.8Confident85.4Confident38.2 Ų38.255.2 Ų55.220%0.20429%0.291CS..SBendtrans-94.8157.2174.3-64.1-89.2000112.3E1701 D1770 R1771 D1772 L1831E1701-N1740 PolarHBondContact OE2-ND2 2.89Å; N1740-D1770 WeakPolarHBondContact CB-OD1 3.34Å; N1740-R1771 HydrophobicContact CB-CB 4.03Å; N1740-D1772 VanDerWaalsContact CB-OD1 3.25Å; N1740-D1772 WeakPolarHBondContact CB-OD1 3.4Å; N1740-D1772 VanDerWaalsContact N-CG 3.32Å; N1740-D1772 PolarHBondContact N-OD1 3.1Å; N1740-D1772 VanDerWaalsContact N-OD1 3.14Å; N1740-D1772 PolarHBondContact N-OD2 3.09Å; N1740-D1772 PolarHBondContact ND2-OD1 3.01Å; N1740-L1831 WeakPolarHBondContact O-CD1 3.31Å
1741V86.1Confident85.2Confident62.6 Ų62.657.5 Ų57.538%0.37931%0.306SS..  trans-113.8142.1-179.656.60000110.6T1743 D1770 L1831 S1832V1741-T1743 HydrophobicContact CG1-CG2 4.26Å; V1741-T1743 WeakPolarHBondContact O-CG2 3.36Å; V1741-T1743 PolarHBondContact O-N 3.04Å; V1741-T1743 VanDerWaalsContact O-N 3.14Å; V1741-T1743 PolarHBondContact O-OG1 2.75Å; V1741-D1770 VanDerWaalsContact C-OD2 3.32Å; V1741-D1770 PolarHBondContact N-OD1 3.43Å; V1741-L1831 HydrophobicContact CB-CB 4.17Å; V1741-L1831 HydrophobicContact CB-CD1 3.91Å; V1741-L1831 HydrophobicContact CB-CG 4.49Å; V1741-L1831 HydrophobicContact CG2-CB 3.9Å; V1741-L1831 HydrophobicContact CG2-CD1 4.21Å; V1741-L1831 HydrophobicContact CG2-CG 4.43Å; V1741-S1832 WeakPolarHBondContact CG2-O 3.25Å
1742P89.5Confident85.2Confident0.2 Ų0.257.4 Ų57.40%0.00130%0.304CS..  trans-61120.8176.6-15.618.7000111.9A1768 H1769 D1770 V1779 A1823 D1825 L1831 S1833P1742-A1768 HydrophobicContact CB-CB 4.45Å; P1742-H1769 CarbonylContact C-O 3.53Å; P1742-H1769 VanDerWaalsContact CA-O 3.26Å; P1742-H1769 WeakPolarHBondContact CA-O 3.36Å; P1742-D1770 VanDerWaalsContact CA-OD2 3.29Å; P1742-D1770 WeakPolarHBondContact CA-OD2 3.33Å; P1742-D1770 HydrophobicContact CB-CB 4.14Å; P1742-D1770 VanDerWaalsContact CD-OD2 3.24Å; P1742-D1770 WeakPolarHBondContact CD-OD2 3.41Å; P1742-D1770 HydrophobicContact CG-CB 4.19Å; P1742-D1770 WeakPolarHBondContact CG-OD2 3.38Å; P1742-D1770 VanDerWaalsContact N-OD2 3.16Å; P1742-V1779 HydrophobicContact CB-CG1 4.29Å; P1742-V1779 HydrophobicContact CB-CG2 3.97Å; P1742-V1779 HydrophobicContact CG-CG2 4.34Å; P1742-A1823 HydrophobicContact CB-CB 4.03Å; P1742-D1825 HydrophobicContact CB-CB 4.5Å; P1742-D1825 WeakPolarHBondContact CD-OD2 3.26Å; P1742-D1825 HydrophobicContact CG-CB 3.79Å; P1742-D1825 VanDerWaalsContact CG-CB 3.46Å; P1742-D1825 WeakPolarHBondContact CG-OD2 3.15Å; P1742-L1831 WeakPolarHBondContact CG-O 3.48Å; P1742-S1833 VanDerWaalsContact O-CB 3.32Å; P1742-S1833 WeakPolarHBondContact O-CB 3.41Å; P1742-S1833 PolarHBondContact O-OG 3.04Å
1743T85.4Confident85.1Confident74.8 Ų74.861.9 Ų61.946%0.45933%0.329SS..BIsolated β-bridgetrans-116.6126.6-17441.50000112.7V1741 A1768 H1769V1741-T1743 HydrophobicContact CG1-CG2 4.26Å; V1741-T1743 WeakPolarHBondContact O-CG2 3.36Å; V1741-T1743 PolarHBondContact O-N 3.04Å; V1741-T1743 VanDerWaalsContact O-N 3.14Å; V1741-T1743 PolarHBondContact O-OG1 2.75Å; T1743-A1768 CarbonylContact O-C 3.53Å; T1743-A1768 VanDerWaalsContact O-CA 3.25Å; T1743-A1768 WeakPolarHBondContact O-CA 3.38Å; T1743-A1768 WeakPolarHBondContact O-CB 3.47Å; T1743-H1769 PolarHBondContact N-O 3.01Å; T1743-H1769 PolarHBondContact O-N 3.24Å; T1743-H1769 PolarHBondContact OG1-O 3.32Å
1744F87.2Confident85.2Confident22.4 Ų22.460.9 Ų60.910%0.09832%0.323CS..  trans-73.9145.4164.8-70.8-74.4000110.5R1746 F1766 A1768 Y1781 I1821 C1822 A1823 S1833 M1835F1744-R1746 VanDerWaalsContact C-N 3.29Å; F1744-R1746 VanDerWaalsContact CB-O 3.31Å; F1744-R1746 WeakPolarHBondContact CB-O 3.33Å; F1744-R1746 PolarHBondContact O-N 3.19Å; F1744-R1746 VanDerWaalsContact O-N 3.16Å; F1744-F1766 HydrophobicContact CE1-CB 4.25Å; F1744-A1768 HydrophobicContact CD1-CB 3.89Å; F1744-A1768 HydrophobicContact CD2-CB 4.47Å; F1744-A1768 HydrophobicContact CE1-CB 3.96Å; F1744-A1768 HydrophobicContact CG-CB 4.21Å; F1744-A1768 HydrophobicContact CZ-CB 4.35Å; F1744-Y1781 HydrophobicContact CE1-CD1 4.27Å; F1744-Y1781 AromaticContact CE1-CE1 3.82Å; F1744-Y1781 HydrophobicContact CE1-CE1 3.97Å; F1744-Y1781 AromaticContact CZ-CD1 3.98Å; F1744-Y1781 HydrophobicContact CZ-CD1 4.24Å; F1744-Y1781 AromaticContact CZ-CE1 4Å; F1744-Y1781 HydrophobicContact CZ-CE1 4.27Å; F1744-I1821 HydrophobicContact CE1-CG2 4.33Å; F1744-I1821 HydrophobicContact CZ-CB 4.48Å; F1744-I1821 HydrophobicContact CZ-CG2 4.11Å; F1744-C1822 VanDerWaalsContact CE2-C 3.49Å; F1744-C1822 VanDerWaalsContact CZ-C 3.44Å; F1744-A1823 HydrophobicContact CD2-CB 4.3Å; F1744-A1823 HydrophobicContact CE1-CB 4.17Å; F1744-A1823 HydrophobicContact CE2-CB 3.44Å; F1744-A1823 VanDerWaalsContact CE2-CB 3.46Å; F1744-A1823 HydrophobicContact CZ-CB 3.37Å; F1744-S1833 VanDerWaalsContact CD2-OG 3.24Å; F1744-S1833 WeakPolarHBondContact CD2-OG 3.32Å; F1744-M1835 HydrophobicContact CB-CB 4.25Å; F1744-M1835 HydrophobicContact CB-CE 4.42Å; F1744-M1835 HydrophobicContact CB-CG 4.48Å; F1744-M1835 HydrophobicContact CB-SD 4.01Å; F1744-M1835 HydrophobicContact CD1-CB 4.35Å; F1744-M1835 HydrophobicContact CD1-CE 3.67Å; F1744-M1835 HydrophobicContact CD1-SD 4.13Å; F1744-M1835 HydrophobicContact CD2-CB 3.81Å; F1744-M1835 VanDerWaalsContact CD2-CB 3.47Å; F1744-M1835 HydrophobicContact CE1-CE 3.87Å; F1744-M1835 HydrophobicContact CE2-CB 3.92Å; F1744-M1835 HydrophobicContact CG-CB 3.96Å; F1744-M1835 HydrophobicContact CG-CE 4.07Å; F1744-M1835 HydrophobicContact CG-CG 4.39Å; F1744-M1835 HydrophobicContact CG-SD 4.03Å; F1744-M1835 HydrophobicContact CZ-CB 4.36Å; F1744-M1835 HydrophobicContact CZ-CE 4.39Å
1745P83.1Confident85.1Confident94.4 Ų94.462.8 Ų62.861%0.61334%0.335SS*.SBendtrans-63.3-18.2176.6-24.434000115L1767P1745-L1767 WeakPolarHBondContact CD-O 3.35Å
1746R82.6Confident85.3Confident156.8 Ų156.859.7 Ų59.759%0.59232%0.318SS*.  trans-149.4153.7-177.4-61.8-177.7-177.7170.34.8110.3F1744 Y1748 E1749 M1835F1744-R1746 VanDerWaalsContact C-N 3.29Å; F1744-R1746 VanDerWaalsContact CB-O 3.31Å; F1744-R1746 WeakPolarHBondContact CB-O 3.33Å; F1744-R1746 PolarHBondContact O-N 3.19Å; F1744-R1746 VanDerWaalsContact O-N 3.16Å; R1746-Y1748 VanDerWaalsContact C-N 3.34Å; R1746-Y1748 VanDerWaalsContact CB-O 3.32Å; R1746-Y1748 WeakPolarHBondContact CB-O 3.26Å; R1746-Y1748 PolarHBondContact O-N 3.4Å; R1746-E1749 WeakPolarHBondContact CD-OE1 3.22Å; R1746-E1749 IonicContact CZ-OE1 3.22Å; R1746-E1749 IonicContact NE-OE1 2.73Å; R1746-E1749 IonicContact NH1-OE1 2.78Å; R1746-E1749 PolarHBondContact NH1-OE1 3.11Å; R1746-E1749 IonicContact NH1-OE2 2.98Å; R1746-E1749 PolarHBondContact NH1-OE2 3.06Å; R1746-M1835 WeakPolarHBondContact O-CG 3.34Å; R1746-M1835 VanDerWaalsContact O-SD 3.38Å
1747D81.3Confident84.9Confident143.2 Ų143.259.9 Ų59.977%0.76633%0.329SS*.SBendtrans-80.9-18.4174.5-28.9-23.8000112.6M1835 L1836D1747-M1835 WeakPolarHBondContact O-CA 3.45Å; D1747-L1836 PolarHBondContact O-N 2.95Å
1748Y88.1Confident84.5Confident96 Ų9660.6 Ų60.638%0.37633%0.33SS..EExtended strand (participates in β ladder)trans-143.9137.6179.8177.7-93.5000111.6R1746 G1750 L1836R1746-Y1748 VanDerWaalsContact C-N 3.34Å; R1746-Y1748 VanDerWaalsContact CB-O 3.32Å; R1746-Y1748 WeakPolarHBondContact CB-O 3.26Å; R1746-Y1748 PolarHBondContact O-N 3.4Å; Y1748-G1750 VanDerWaalsContact CE1-O 3.29Å; Y1748-G1750 WeakPolarHBondContact CE1-O 3.3Å; Y1748-G1750 PolarHBondContact OH-O 2.97Å; Y1748-L1836 CarbonylContact C-O 3.43Å; Y1748-L1836 VanDerWaalsContact CA-O 3.26Å; Y1748-L1836 WeakPolarHBondContact CA-O 3.34Å; Y1748-L1836 HydrophobicContact CD2-CB 3.9Å; Y1748-L1836 HydrophobicContact CD2-CD2 3.59Å; Y1748-L1836 HydrophobicContact CD2-CG 4.41Å; Y1748-L1836 VanDerWaalsContact CD2-O 3.28Å; Y1748-L1836 WeakPolarHBondContact CD2-O 3.4Å; Y1748-L1836 HydrophobicContact CE2-CB 4.38Å; Y1748-L1836 HydrophobicContact CE2-CD2 3.71Å
1749E85.2Confident84Confident39.2 Ų39.262.7 Ų62.718%0.18335%0.345CS..EExtended strand (participates in β ladder)trans-132.9148.3173.8-134.6146-171.300112.4R1746 F1752 W1764 F1766 M1835 L1836 V1837 G1838R1746-E1749 WeakPolarHBondContact CD-OE1 3.22Å; R1746-E1749 IonicContact CZ-OE1 3.22Å; R1746-E1749 IonicContact NE-OE1 2.73Å; R1746-E1749 IonicContact NH1-OE1 2.78Å; R1746-E1749 PolarHBondContact NH1-OE1 3.11Å; R1746-E1749 IonicContact NH1-OE2 2.98Å; R1746-E1749 PolarHBondContact NH1-OE2 3.06Å; E1749-F1752 HydrophobicContact CB-CE2 4.24Å; E1749-F1752 HydrophobicContact CB-CZ 4.16Å; E1749-F1752 HydrophobicContact CG-CE2 4.21Å; E1749-F1752 HydrophobicContact CG-CZ 3.76Å; E1749-W1764 PolarHBondContact OE1-NE1 2.92Å; E1749-W1764 PolarHBondContact OE2-NE1 3.08Å; E1749-F1766 HydrophobicContact CB-CE1 4.23Å; E1749-F1766 HydrophobicContact CG-CE1 4.23Å; E1749-F1766 VanDerWaalsContact OE2-CD1 3.23Å; E1749-F1766 WeakPolarHBondContact OE2-CD1 3.31Å; E1749-F1766 VanDerWaalsContact OE2-CE1 3.3Å; E1749-F1766 WeakPolarHBondContact OE2-CE1 3.25Å; E1749-M1835 HydrophobicContact CB-CE 4.41Å; E1749-M1835 HydrophobicContact CB-SD 3.96Å; E1749-M1835 HydrophobicContact CG-SD 4.04Å; E1749-L1836 PolarHBondContact N-O 2.92Å; E1749-L1836 VanDerWaalsContact N-O 3.15Å; E1749-V1837 CarbonylContact O-C 3.57Å; E1749-V1837 VanDerWaalsContact O-C 3.26Å; E1749-V1837 WeakPolarHBondContact O-CA 3.4Å; E1749-G1838 PolarHBondContact O-N 2.88Å
1750G84.8Confident83.7Confident30.6 Ų30.658.7 Ų58.732%0.31533%0.328SS..EExtended strand (participates in β ladder)trans98.3-163.2-175.700000114.3Y1748Y1748-G1750 VanDerWaalsContact CE1-O 3.29Å; Y1748-G1750 WeakPolarHBondContact CE1-O 3.3Å; Y1748-G1750 PolarHBondContact OH-O 2.97Å
1751P83.5Confident83.6Confident49.8 Ų49.858.1 Ų58.132%0.32333%0.326SS..EExtended strand (participates in β ladder)cis-68.9139.8327.6-33.5000113.2F1816 G1838 R1840P1751-F1816 HydrophobicContact CB-CD2 4.43Å; P1751-F1816 HydrophobicContact CB-CE2 3.6Å; P1751-F1816 HydrophobicContact CB-CZ 3.71Å; P1751-F1816 HydrophobicContact CG-CE2 4.02Å; P1751-F1816 HydrophobicContact CG-CZ 3.98Å; P1751-G1838 CarbonylContact C-O 3.51Å; P1751-G1838 VanDerWaalsContact CA-O 3.27Å; P1751-G1838 WeakPolarHBondContact CA-O 3.34Å; P1751-R1840 HydrophobicContact CB-CB 4.14Å
1752F89.1Confident83.7Confident27.6 Ų27.663 Ų6312%0.12134%0.338CS..EExtended strand (participates in β ladder)trans-89.1128170.9-61.3-72.7000110E1749 V1754 V1763 W1764 F1766 V1837 G1838 I1839 R1840E1749-F1752 HydrophobicContact CB-CE2 4.24Å; E1749-F1752 HydrophobicContact CB-CZ 4.16Å; E1749-F1752 HydrophobicContact CG-CE2 4.21Å; E1749-F1752 HydrophobicContact CG-CZ 3.76Å; F1752-V1754 PolarHBondContact O-N 3.1Å; F1752-V1763 HydrophobicContact CB-CG1 3.73Å; F1752-V1763 HydrophobicContact CD2-CG1 4.11Å; F1752-V1763 HydrophobicContact CG-CG1 4.06Å; F1752-W1764 HydrophobicContact CD1-CB 4.27Å; F1752-W1764 AromaticContact CD1-CD2 3.79Å; F1752-W1764 HydrophobicContact CD1-CD2 3.99Å; F1752-W1764 AromaticContact CD1-CE3 3.78Å; F1752-W1764 HydrophobicContact CD1-CE3 3.78Å; F1752-W1764 AromaticContact CD1-CG 3.92Å; F1752-W1764 HydrophobicContact CD1-CG 4.26Å; F1752-W1764 HydrophobicContact CD1-CZ3 4.25Å; F1752-W1764 HydrophobicContact CD2-CB 4.28Å; F1752-W1764 HydrophobicContact CE1-CB 4.06Å; F1752-W1764 AromaticContact CE1-CD1 3.74Å; F1752-W1764 AromaticContact CE1-CD2 3.24Å; F1752-W1764 HydrophobicContact CE1-CD2 3.24Å; F1752-W1764 AromaticContact CE1-CE2 3.65Å; F1752-W1764 VanDerWaalsContact CE1-CE2 3.46Å; F1752-W1764 AromaticContact CE1-CE3 3.42Å; F1752-W1764 HydrophobicContact CE1-CE3 3.42Å; F1752-W1764 VanDerWaalsContact CE1-CE3 3.42Å; F1752-W1764 AromaticContact CE1-CG 3.53Å; F1752-W1764 HydrophobicContact CE1-CG 3.53Å; F1752-W1764 VanDerWaalsContact CE1-CG 3.43Å; F1752-W1764 HydrophobicContact CE1-CH2 4.3Å; F1752-W1764 AromaticContact CE1-CZ2 3.96Å; F1752-W1764 HydrophobicContact CE1-CZ2 4.19Å; F1752-W1764 AromaticContact CE1-CZ3 3.73Å; F1752-W1764 HydrophobicContact CE1-CZ3 3.99Å; F1752-W1764 AromaticContact CE1-NE1 3.75Å; F1752-W1764 HydrophobicContact CE2-CB 4.07Å; F1752-W1764 HydrophobicContact CE2-CD2 4.3Å; F1752-W1764 AromaticContact CE2-CG 3.86Å; F1752-W1764 HydrophobicContact CE2-CG 4.07Å; F1752-W1764 HydrophobicContact CG-CB 4.27Å; F1752-W1764 HydrophobicContact CG-CG 4.49Å; F1752-W1764 HydrophobicContact CZ-CB 3.88Å; F1752-W1764 AromaticContact CZ-CD1 3.54Å; F1752-W1764 AromaticContact CZ-CD2 3.61Å; F1752-W1764 HydrophobicContact CZ-CD2 3.61Å; F1752-W1764 VanDerWaalsContact CZ-CD2 3.4Å; F1752-W1764 AromaticContact CZ-CE2 3.77Å; F1752-W1764 AromaticContact CZ-CE3 3.97Å; F1752-W1764 HydrophobicContact CZ-CE3 4.25Å; F1752-W1764 AromaticContact CZ-CG 3.41Å; F1752-W1764 HydrophobicContact CZ-CG 3.41Å; F1752-W1764 VanDerWaalsContact CZ-CG 3.45Å; F1752-W1764 HydrophobicContact CZ-CZ2 4.45Å; F1752-W1764 AromaticContact CZ-NE1 3.62Å; F1752-F1766 HydrophobicContact CD2-CZ 4.31Å; F1752-F1766 AromaticContact CE2-CE1 3.7Å; F1752-F1766 HydrophobicContact CE2-CE1 3.97Å; F1752-F1766 AromaticContact CE2-CZ 3.7Å; F1752-F1766 HydrophobicContact CE2-CZ 3.82Å; F1752-F1766 AromaticContact CZ-CE1 3.9Å; F1752-F1766 HydrophobicContact CZ-CE1 4.11Å; F1752-F1766 HydrophobicContact CZ-CZ 4.3Å; F1752-V1837 HydrophobicContact CD2-CG1 3.99Å; F1752-V1837 HydrophobicContact CE2-CG1 3.94Å; F1752-G1838 VanDerWaalsContact CD2-O 3.26Å; F1752-G1838 WeakPolarHBondContact CD2-O 3.36Å; F1752-G1838 PolarHBondContact N-O 3.16Å; F1752-I1839 CarbonylContact O-C 3.47Å; F1752-I1839 VanDerWaalsContact O-CA 3.27Å; F1752-I1839 WeakPolarHBondContact O-CA 3.24Å; F1752-I1839 VanDerWaalsContact O-CG2 3.26Å; F1752-I1839 WeakPolarHBondContact O-CG2 3.4Å; F1752-R1840 PolarHBondContact O-N 2.84Å; F1752-R1840 VanDerWaalsContact O-O 3.09Å
1753D86.8Confident83.5Confident96 Ų9663.7 Ų63.751%0.51334%0.342SS..EExtended strand (participates in β ladder)trans-85.7124179.6-65.9-28.4000110R1840 L1842D1753-R1840 CarbonylContact C-O 3.39Å; D1753-R1840 VanDerWaalsContact CA-O 3.28Å; D1753-R1840 WeakPolarHBondContact CA-O 3.38Å; D1753-R1840 WeakPolarHBondContact OD1-CB 3.25Å; D1753-R1840 VanDerWaalsContact OD1-CD 3.29Å; D1753-R1840 WeakPolarHBondContact OD1-CD 3.3Å; D1753-R1840 IonicContact OD1-NE 3.49Å; D1753-R1840 PolarHBondContact OD1-NE 3.02Å; D1753-R1840 VanDerWaalsContact OD1-NE 3.1Å; D1753-L1842 HydrophobicContact CB-CD1 3.86Å; D1753-L1842 HydrophobicContact CB-CD2 4.03Å; D1753-L1842 HydrophobicContact CB-CG 3.93Å
1754V86.7Confident83.6Confident10.6 Ų10.665.8 Ų65.86%0.06434%0.342CS..EExtended strand (participates in β ladder)trans-125.9123.3179.2-178.10000108.7F1752 E1756 P1761 V1763 V1803 L1809 I1839 R1840 V1841 L1842F1752-V1754 PolarHBondContact O-N 3.1Å; V1754-E1756 PolarHBondContact O-N 2.87Å; V1754-P1761 HydrophobicContact CG1-CB 4.36Å; V1754-P1761 HydrophobicContact CG1-CG 3.8Å; V1754-V1763 HydrophobicContact CG2-CB 4.33Å; V1754-V1763 HydrophobicContact CG2-CG1 4.14Å; V1754-V1763 HydrophobicContact CG2-CG2 4.03Å; V1754-V1803 HydrophobicContact CG1-CG2 4.3Å; V1754-L1809 HydrophobicContact CB-CD1 4.21Å; V1754-L1809 HydrophobicContact CG1-CD1 3.82Å; V1754-I1839 HydrophobicContact CB-CG2 4.21Å; V1754-I1839 HydrophobicContact CG2-CG2 3.74Å; V1754-R1840 PolarHBondContact N-O 3.03Å; V1754-V1841 CarbonylContact O-C 3.48Å; V1754-V1841 VanDerWaalsContact O-CA 3.3Å; V1754-V1841 WeakPolarHBondContact O-CA 3.44Å; V1754-V1841 WeakPolarHBondContact O-CG1 3.44Å; V1754-L1842 PolarHBondContact O-N 3.04Å
1755T84.7Confident83.7Confident47.6 Ų47.667.3 Ų67.329%0.29235%0.353SS..EExtended strand (participates in β ladder)trans-72.7138.5177-410000111.1L1842 I1844T1755-L1842 HydrophobicContact CG2-CB 4.36Å; T1755-I1844 HydrophobicContact CG2-CB 4.5Å; T1755-I1844 HydrophobicContact CG2-CD1 3.77Å; T1755-I1844 HydrophobicContact CG2-CG1 3.87Å; T1755-I1844 HydrophobicContact CG2-CG2 2.99Å
1756E85.9Confident83.9Confident8.6 Ų8.663 Ų634%0.0433%0.325CS..THydrogen-bonded Turntrans-67.1170.7176.679.4-165.8126.300113.4V1754 Q1758 L1809 R1811 V1841 L1842 D1843 I1844V1754-E1756 PolarHBondContact O-N 2.87Å; E1756-Q1758 VanDerWaalsContact C-N 3.29Å; E1756-Q1758 PolarHBondContact O-N 3.1Å; E1756-L1809 CarbonylContact C-O 3.18Å; E1756-L1809 VanDerWaalsContact CA-O 3.3Å; E1756-L1809 WeakPolarHBondContact CA-O 3.31Å; E1756-L1809 VanDerWaalsContact CB-O 3.28Å; E1756-L1809 WeakPolarHBondContact CB-O 3.24Å; E1756-R1811 HydrophobicContact CB-CB 4.32Å; E1756-R1811 WeakPolarHBondContact OE2-CA 3.36Å; E1756-R1811 WeakPolarHBondContact OE2-CB 3.4Å; E1756-R1811 PolarHBondContact OE2-N 3.01Å; E1756-V1841 HydrophobicContact CB-CG1 3.78Å; E1756-L1842 WeakPolarHBondContact CG-O 3.16Å; E1756-L1842 PolarHBondContact N-O 3.16Å; E1756-L1842 VanDerWaalsContact N-O 3.12Å; E1756-D1843 VanDerWaalsContact OE1-CA 3.27Å; E1756-D1843 WeakPolarHBondContact OE1-CA 3.23Å; E1756-I1844 HydrophobicContact CG-CB 4.18Å; E1756-I1844 HydrophobicContact CG-CD1 3.94Å; E1756-I1844 HydrophobicContact CG-CG1 3.8Å; E1756-I1844 VanDerWaalsContact CG-CG1 3.49Å; E1756-I1844 HydrophobicContact CG-CG2 4.3Å; E1756-I1844 VanDerWaalsContact O-CD1 3.22Å; E1756-I1844 WeakPolarHBondContact O-CD1 3.25Å; E1756-I1844 WeakPolarHBondContact OE1-CA 3.37Å; E1756-I1844 WeakPolarHBondContact OE1-CB 3.43Å; E1756-I1844 PolarHBondContact OE1-N 2.93Å
1757G77.8Confident84.1Confident38.6 Ų38.660.4 Ų60.440%0.39832%0.322SS..THydrogen-bonded Turntrans66.34.4178.400000115.7P1759 L1809G1757-P1759 WeakPolarHBondContact O-CD 3.22Å; G1757-L1809 PolarHBondContact N-O 2.91Å; G1757-L1809 VanDerWaalsContact N-O 3.16Å
1758Q74.6Confident84.4Confident102.2 Ų102.253.8 Ų53.848%0.47829%0.287SS..  trans-102.9118.6177.2-66.1-170.615.100111E1756 G1760 P1761E1756-Q1758 VanDerWaalsContact C-N 3.29Å; E1756-Q1758 PolarHBondContact O-N 3.1Å; Q1758-G1760 PolarHBondContact O-N 2.75Å; Q1758-P1761 HydrophobicContact CB-CB 4.43Å; Q1758-P1761 HydrophobicContact CB-CG 4.19Å; Q1758-P1761 WeakPolarHBondContact O-CD 3.36Å
1759P74.7Confident84.2Confident74 Ų7454.2 Ų54.248%0.48129%0.292SS..SBendtrans-79.1131.1175.927.7-31.5000112.3G1757 P1761 K1805 V1807 E1808G1757-P1759 WeakPolarHBondContact O-CD 3.22Å; P1759-P1761 WeakPolarHBondContact O-CD 2.96Å; P1759-K1805 WeakPolarHBondContact CB-O 3.26Å; P1759-V1807 WeakPolarHBondContact CA-O 3.37Å; P1759-E1808 HydrophobicContact CB-CG 4.01Å; P1759-E1808 HydrophobicContact CG-CG 4.33Å
1760G76.3Confident84.3Confident18.8 Ų18.853.6 Ų53.619%0.19429%0.29CS..SBendtrans67.924.9175.100000120Q1758 V1803 R1804Q1758-G1760 PolarHBondContact O-N 2.75Å; G1760-V1803 VanDerWaalsContact CA-O 3.22Å; G1760-V1803 WeakPolarHBondContact CA-O 3.26Å; G1760-R1804 WeakPolarHBondContact CA-O 3.26Å; G1760-R1804 PolarHBondContact N-O 3.06Å; G1760-R1804 VanDerWaalsContact N-O 3.08Å
1761P81.8Confident84.3Confident25.6 Ų25.661.1 Ų61.117%0.16631%0.309CS..  trans-60.7145.1176.724.9-35000112.5V1754 Q1758 P1759 V1763 R1802 V1803V1754-P1761 HydrophobicContact CG1-CB 4.36Å; V1754-P1761 HydrophobicContact CG1-CG 3.8Å; Q1758-P1761 HydrophobicContact CB-CB 4.43Å; Q1758-P1761 HydrophobicContact CB-CG 4.19Å; Q1758-P1761 WeakPolarHBondContact O-CD 3.36Å; P1759-P1761 WeakPolarHBondContact O-CD 2.96Å; P1761-V1763 PolarHBondContact O-N 2.81Å; P1761-R1802 CarbonylContact O-C 3.36Å; P1761-R1802 VanDerWaalsContact O-CA 3.32Å; P1761-R1802 WeakPolarHBondContact O-CA 3.34Å; P1761-R1802 WeakPolarHBondContact O-CB 3.32Å; P1761-V1803 HydrophobicContact CG-CB 4.08Å; P1761-V1803 HydrophobicContact CG-CG2 3.85Å; P1761-V1803 PolarHBondContact O-N 2.84Å
1762R87.5Confident84.5Confident166.6 Ų166.659.1 Ų59.163%0.62930%0.296SS*.EExtended strand (participates in β ladder)trans-79.7125.2172.2-179.2177.786.3165.70.1109.1T1765 V1800 L1801 R1802R1762-T1765 PolarHBondContact NH1-OG1 3.04Å; R1762-T1765 PolarHBondContact NH2-OG1 3.18Å; R1762-V1800 HydrophobicContact CG-CG1 3.88Å; R1762-L1801 WeakPolarHBondContact CG-O 3.3Å; R1762-R1802 HydrophobicContact CB-CG 4.34Å; R1762-R1802 HydrophobicContact CG-CG 4.27Å
1763V86.5Confident84.1Confident13.8 Ų13.859.9 Ų59.98%0.08431%0.305CS..EExtended strand (participates in β ladder)trans-81.3-63.4179-174.90000109.8F1752 V1754 P1761 F1792 L1801 V1803 I1839F1752-V1763 HydrophobicContact CB-CG1 3.73Å; F1752-V1763 HydrophobicContact CD2-CG1 4.11Å; F1752-V1763 HydrophobicContact CG-CG1 4.06Å; V1754-V1763 HydrophobicContact CG2-CB 4.33Å; V1754-V1763 HydrophobicContact CG2-CG1 4.14Å; V1754-V1763 HydrophobicContact CG2-CG2 4.03Å; P1761-V1763 PolarHBondContact O-N 2.81Å; V1763-F1792 HydrophobicContact CG2-CD1 3.99Å; V1763-F1792 HydrophobicContact CG2-CE1 3.94Å; V1763-L1801 HydrophobicContact CB-CB 4.44Å; V1763-L1801 HydrophobicContact CB-CD2 4.01Å; V1763-L1801 HydrophobicContact CB-CG 4.18Å; V1763-L1801 WeakPolarHBondContact CB-O 3.37Å; V1763-L1801 HydrophobicContact CG1-CD2 4.03Å; V1763-L1801 HydrophobicContact CG2-CD2 4.39Å; V1763-L1801 HydrophobicContact CG2-CG 4.39Å; V1763-L1801 PolarHBondContact N-O 2.85Å; V1763-V1803 HydrophobicContact CG2-CG2 4.15Å; V1763-I1839 HydrophobicContact CB-CD1 4.35Å; V1763-I1839 HydrophobicContact CG1-CD1 3.82Å; V1763-I1839 HydrophobicContact CG1-CG1 4.09Å; V1763-I1839 HydrophobicContact CG1-CG2 4.29Å; V1763-I1839 HydrophobicContact CG2-CD1 4.1Å
1764W87.6Confident83.9Confident118.8 Ų118.857.5 Ų57.545%0.4530%0.303SS..EExtended strand (participates in β ladder)trans-158.7-178.3-176.9-156.6-116.6000112E1749 F1752 F1766 V1800 L1801E1749-W1764 PolarHBondContact OE1-NE1 2.92Å; E1749-W1764 PolarHBondContact OE2-NE1 3.08Å; F1752-W1764 HydrophobicContact CD1-CB 4.27Å; F1752-W1764 AromaticContact CD1-CD2 3.79Å; F1752-W1764 HydrophobicContact CD1-CD2 3.99Å; F1752-W1764 AromaticContact CD1-CE3 3.78Å; F1752-W1764 HydrophobicContact CD1-CE3 3.78Å; F1752-W1764 AromaticContact CD1-CG 3.92Å; F1752-W1764 HydrophobicContact CD1-CG 4.26Å; F1752-W1764 HydrophobicContact CD1-CZ3 4.25Å; F1752-W1764 HydrophobicContact CD2-CB 4.28Å; F1752-W1764 HydrophobicContact CE1-CB 4.06Å; F1752-W1764 AromaticContact CE1-CD1 3.74Å; F1752-W1764 AromaticContact CE1-CD2 3.24Å; F1752-W1764 HydrophobicContact CE1-CD2 3.24Å; F1752-W1764 AromaticContact CE1-CE2 3.65Å; F1752-W1764 VanDerWaalsContact CE1-CE2 3.46Å; F1752-W1764 AromaticContact CE1-CE3 3.42Å; F1752-W1764 HydrophobicContact CE1-CE3 3.42Å; F1752-W1764 VanDerWaalsContact CE1-CE3 3.42Å; F1752-W1764 AromaticContact CE1-CG 3.53Å; F1752-W1764 HydrophobicContact CE1-CG 3.53Å; F1752-W1764 VanDerWaalsContact CE1-CG 3.43Å; F1752-W1764 HydrophobicContact CE1-CH2 4.3Å; F1752-W1764 AromaticContact CE1-CZ2 3.96Å; F1752-W1764 HydrophobicContact CE1-CZ2 4.19Å; F1752-W1764 AromaticContact CE1-CZ3 3.73Å; F1752-W1764 HydrophobicContact CE1-CZ3 3.99Å; F1752-W1764 AromaticContact CE1-NE1 3.75Å; F1752-W1764 HydrophobicContact CE2-CB 4.07Å; F1752-W1764 HydrophobicContact CE2-CD2 4.3Å; F1752-W1764 AromaticContact CE2-CG 3.86Å; F1752-W1764 HydrophobicContact CE2-CG 4.07Å; F1752-W1764 HydrophobicContact CG-CB 4.27Å; F1752-W1764 HydrophobicContact CG-CG 4.49Å; F1752-W1764 HydrophobicContact CZ-CB 3.88Å; F1752-W1764 AromaticContact CZ-CD1 3.54Å; F1752-W1764 AromaticContact CZ-CD2 3.61Å; F1752-W1764 HydrophobicContact CZ-CD2 3.61Å; F1752-W1764 VanDerWaalsContact CZ-CD2 3.4Å; F1752-W1764 AromaticContact CZ-CE2 3.77Å; F1752-W1764 AromaticContact CZ-CE3 3.97Å; F1752-W1764 HydrophobicContact CZ-CE3 4.25Å; F1752-W1764 AromaticContact CZ-CG 3.41Å; F1752-W1764 HydrophobicContact CZ-CG 3.41Å; F1752-W1764 VanDerWaalsContact CZ-CG 3.45Å; F1752-W1764 HydrophobicContact CZ-CZ2 4.45Å; F1752-W1764 AromaticContact CZ-NE1 3.62Å; W1764-F1766 HydrophobicContact CB-CE1 4.33Å; W1764-F1766 HydrophobicContact CB-CE2 4.07Å; W1764-F1766 HydrophobicContact CB-CZ 3.84Å; W1764-F1766 AromaticContact CD1-CD1 3.84Å; W1764-F1766 AromaticContact CD1-CE1 3.55Å; W1764-F1766 VanDerWaalsContact CD1-CE1 3.48Å; W1764-F1766 AromaticContact CD1-CZ 3.92Å; W1764-F1766 HydrophobicContact CG-CE1 4.29Å; W1764-F1766 HydrophobicContact CG-CZ 4.23Å; W1764-V1800 CarbonylContact O-C 3.52Å; W1764-L1801 PolarHBondContact N-O 2.87Å; W1764-L1801 VanDerWaalsContact N-O 3.13Å; W1764-L1801 PolarHBondContact O-N 3.18Å; W1764-L1801 VanDerWaalsContact O-N 3.07Å
1765T88.7Confident83.5Confident54.2 Ų54.260.7 Ų60.733%0.33332%0.324SS..EExtended strand (participates in β ladder)trans-135.6119173.9-54.90000108.6R1762 E1798 G1799 V1800R1762-T1765 PolarHBondContact NH1-OG1 3.04Å; R1762-T1765 PolarHBondContact NH2-OG1 3.18Å; T1765-E1798 WeakPolarHBondContact CG2-O 3.2Å; T1765-G1799 WeakPolarHBondContact CA-O 3.31Å; T1765-V1800 HydrophobicContact CG2-CB 4.48Å; T1765-V1800 HydrophobicContact CG2-CG2 3.75Å; T1765-V1800 WeakPolarHBondContact OG1-CG2 3.27Å
1766F87.4Confident83.4Confident4.6 Ų4.659.7 Ų59.72%0.0232%0.317CS..  trans-99.1143-176-57.7-73.2000110.9F1744 E1749 F1752 W1764 Y1781 I1794 G1799 L1801 I1821 M1835 V1837F1744-F1766 HydrophobicContact CE1-CB 4.25Å; E1749-F1766 HydrophobicContact CB-CE1 4.23Å; E1749-F1766 HydrophobicContact CG-CE1 4.23Å; E1749-F1766 VanDerWaalsContact OE2-CD1 3.23Å; E1749-F1766 WeakPolarHBondContact OE2-CD1 3.31Å; E1749-F1766 VanDerWaalsContact OE2-CE1 3.3Å; E1749-F1766 WeakPolarHBondContact OE2-CE1 3.25Å; F1752-F1766 HydrophobicContact CD2-CZ 4.31Å; F1752-F1766 AromaticContact CE2-CE1 3.7Å; F1752-F1766 HydrophobicContact CE2-CE1 3.97Å; F1752-F1766 AromaticContact CE2-CZ 3.7Å; F1752-F1766 HydrophobicContact CE2-CZ 3.82Å; F1752-F1766 AromaticContact CZ-CE1 3.9Å; F1752-F1766 HydrophobicContact CZ-CE1 4.11Å; F1752-F1766 HydrophobicContact CZ-CZ 4.3Å; W1764-F1766 HydrophobicContact CB-CE1 4.33Å; W1764-F1766 HydrophobicContact CB-CE2 4.07Å; W1764-F1766 HydrophobicContact CB-CZ 3.84Å; W1764-F1766 AromaticContact CD1-CD1 3.84Å; W1764-F1766 AromaticContact CD1-CE1 3.55Å; W1764-F1766 VanDerWaalsContact CD1-CE1 3.48Å; W1764-F1766 AromaticContact CD1-CZ 3.92Å; W1764-F1766 HydrophobicContact CG-CE1 4.29Å; W1764-F1766 HydrophobicContact CG-CZ 4.23Å; F1766-Y1781 WeakPolarHBondContact O-CE1 3.22Å; F1766-I1794 HydrophobicContact CD2-CD1 4.01Å; F1766-I1794 HydrophobicContact CE2-CD1 4.42Å; F1766-G1799 WeakPolarHBondContact CD2-O 3.34Å; F1766-G1799 PolarHBondContact N-O 2.94Å; F1766-G1799 WeakPolarHBondContact O-CA 3.27Å; F1766-L1801 HydrophobicContact CD2-CB 4.27Å; F1766-L1801 HydrophobicContact CE2-CB 3.68Å; F1766-L1801 HydrophobicContact CE2-CD2 3.84Å; F1766-L1801 HydrophobicContact CE2-CG 4.28Å; F1766-L1801 HydrophobicContact CZ-CB 4.45Å; F1766-L1801 HydrophobicContact CZ-CD2 4.21Å; F1766-I1821 HydrophobicContact CB-CD1 4.49Å; F1766-I1821 HydrophobicContact CD1-CD1 4.29Å; F1766-I1821 HydrophobicContact CD2-CD1 3.39Å; F1766-I1821 VanDerWaalsContact CD2-CD1 3.45Å; F1766-I1821 HydrophobicContact CE1-CD1 4.31Å; F1766-I1821 HydrophobicContact CE2-CD1 3.25Å; F1766-I1821 VanDerWaalsContact CE2-CD1 3.45Å; F1766-I1821 HydrophobicContact CG-CD1 3.88Å; F1766-I1821 HydrophobicContact CZ-CD1 3.84Å; F1766-M1835 HydrophobicContact CB-CE 4Å; F1766-M1835 HydrophobicContact CD1-CE 3.26Å; F1766-M1835 HydrophobicContact CE1-CE 3.76Å; F1766-M1835 HydrophobicContact CG-CE 3.93Å; F1766-V1837 HydrophobicContact CD1-CG2 4.36Å; F1766-V1837 HydrophobicContact CE1-CG1 4.36Å; F1766-V1837 HydrophobicContact CE1-CG2 3.68Å; F1766-V1837 VanDerWaalsContact CE1-CG2 3.45Å; F1766-V1837 HydrophobicContact CE2-CG1 4.23Å; F1766-V1837 HydrophobicContact CE2-CG2 4.24Å; F1766-V1837 HydrophobicContact CZ-CB 4.27Å; F1766-V1837 HydrophobicContact CZ-CG1 3.81Å; F1766-V1837 HydrophobicContact CZ-CG2 3.53Å; F1766-V1837 VanDerWaalsContact CZ-CG2 3.48Å
1767L88Confident83.2Confident101.6 Ų101.660.5 Ų60.553%0.53233%0.327SS..  trans-136.6119179.8-175.863.8000108.7P1745 H1769 Y1781P1745-L1767 WeakPolarHBondContact CD-O 3.35Å; L1767-H1769 WeakPolarHBondContact CD2-CE1 3.41Å; L1767-Y1781 WeakPolarHBondContact CA-OH 3.33Å; L1767-Y1781 WeakPolarHBondContact CD1-OH 3.05Å
1768A85.7Confident83.5Confident4.4 Ų4.462.9 Ų62.94%0.03633%0.328CS..  trans-99.2147.1164.400000109.1P1742 T1743 F1744 V1779 Y1781 A1823P1742-A1768 HydrophobicContact CB-CB 4.45Å; T1743-A1768 CarbonylContact O-C 3.53Å; T1743-A1768 VanDerWaalsContact O-CA 3.25Å; T1743-A1768 WeakPolarHBondContact O-CA 3.38Å; T1743-A1768 WeakPolarHBondContact O-CB 3.47Å; F1744-A1768 HydrophobicContact CD1-CB 3.89Å; F1744-A1768 HydrophobicContact CD2-CB 4.47Å; F1744-A1768 HydrophobicContact CE1-CB 3.96Å; F1744-A1768 HydrophobicContact CG-CB 4.21Å; F1744-A1768 HydrophobicContact CZ-CB 4.35Å; A1768-V1779 HydrophobicContact CB-CG1 4.25Å; A1768-Y1781 HydrophobicContact CB-CE1 4.1Å; A1768-Y1781 PolarHBondContact N-OH 2.93Å; A1768-Y1781 PolarHBondContact O-OH 3.03Å; A1768-A1823 HydrophobicContact CB-CB 3.57Å; A1768-A1823 VanDerWaalsContact CB-CB 3.43Å
1769H84.6Confident84.1Confident105.2 Ų105.259.3 Ų59.349%0.48731%0.313SS..BIsolated β-bridgetrans-111.9127.9178.9-68.9-71.1000110.4P1742 T1743 L1767P1742-H1769 CarbonylContact C-O 3.53Å; P1742-H1769 VanDerWaalsContact CA-O 3.26Å; P1742-H1769 WeakPolarHBondContact CA-O 3.36Å; T1743-H1769 PolarHBondContact N-O 3.01Å; T1743-H1769 PolarHBondContact O-N 3.24Å; T1743-H1769 PolarHBondContact OG1-O 3.32Å; L1767-H1769 WeakPolarHBondContact CD2-CE1 3.41Å
1770D87.8Confident84.8Confident25.6 Ų25.659.6 Ų59.614%0.13731%0.308CS..  trans-105.5158.6162.1-148.3-45.4000109.2N1740 V1741 P1742 D1772 V1779 D1825N1740-D1770 WeakPolarHBondContact CB-OD1 3.34Å; V1741-D1770 VanDerWaalsContact C-OD2 3.32Å; V1741-D1770 PolarHBondContact N-OD1 3.43Å; P1742-D1770 VanDerWaalsContact CA-OD2 3.29Å; P1742-D1770 WeakPolarHBondContact CA-OD2 3.33Å; P1742-D1770 HydrophobicContact CB-CB 4.14Å; P1742-D1770 VanDerWaalsContact CD-OD2 3.24Å; P1742-D1770 WeakPolarHBondContact CD-OD2 3.41Å; P1742-D1770 HydrophobicContact CG-CB 4.19Å; P1742-D1770 WeakPolarHBondContact CG-OD2 3.38Å; P1742-D1770 VanDerWaalsContact N-OD2 3.16Å; D1770-D1772 PolarHBondContact OD1-N 3.27Å; D1770-V1779 HydrophobicContact CB-CG2 4.28Å; D1770-D1825 VanDerWaalsContact OD2-CB 3.26Å; D1770-D1825 WeakPolarHBondContact OD2-CB 3.39Å
1771R84.4Confident85.5Confident188 Ų18859.4 Ų59.471%0.70930%0.301SS*.  trans-108.3-25.2-178.6-67.7-174.7172.3-169.4-1.6113.5E1701 N1740E1701-R1771 HydrophobicContact CG-CB 3.72Å; N1740-R1771 HydrophobicContact CB-CB 4.03Å
1772D87.5Confident86Confident9.2 Ų9.260.5 Ų60.55%0.04931%0.309CS..SBendtrans-65.5163.3179.2-59.1-9.8000110.9D1736 N1738 D1739 N1740 D1770 N1776 G1777D1736-D1772 WeakPolarHBondContact OD1-CA 3.42Å; N1738-D1772 VanDerWaalsContact C-OD2 3.25Å; N1738-D1772 VanDerWaalsContact CA-OD2 3.23Å; N1738-D1772 WeakPolarHBondContact CA-OD2 3.37Å; N1738-D1772 PolarHBondContact ND2-OD2 2.8Å; N1738-D1772 PolarHBondContact OD1-OD2 2.74Å; D1739-D1772 VanDerWaalsContact N-CG 3.34Å; D1739-D1772 PolarHBondContact N-OD1 2.9Å; D1739-D1772 VanDerWaalsContact N-OD1 3.08Å; D1739-D1772 PolarHBondContact N-OD2 2.99Å; D1739-D1772 VanDerWaalsContact N-OD2 3.12Å; N1740-D1772 VanDerWaalsContact CB-OD1 3.25Å; N1740-D1772 WeakPolarHBondContact CB-OD1 3.4Å; N1740-D1772 VanDerWaalsContact N-CG 3.32Å; N1740-D1772 PolarHBondContact N-OD1 3.1Å; N1740-D1772 VanDerWaalsContact N-OD1 3.14Å; N1740-D1772 PolarHBondContact N-OD2 3.09Å; N1740-D1772 PolarHBondContact ND2-OD1 3.01Å; D1770-D1772 PolarHBondContact OD1-N 3.27Å; D1772-N1776 HydrophobicContact CB-CB 3.41Å; D1772-N1776 VanDerWaalsContact CB-CB 3.44Å; D1772-G1777 WeakPolarHBondContact O-CA 3.32Å; D1772-G1777 PolarHBondContact O-N 3.42Å
1773S81.1Confident86.1Confident44.8 Ų44.854.8 Ų54.831%0.31329%0.293SS..  trans-101159.3-174.4-96.60000113.5Y1700 D1736 N1776 G1777Y1700-S1773 WeakPolarHBondContact CE1-OG 3.36Å; Y1700-S1773 VanDerWaalsContact OH-CB 3.32Å; Y1700-S1773 WeakPolarHBondContact OH-CB 3.36Å; Y1700-S1773 PolarHBondContact OH-OG 2.89Å; Y1700-S1773 VanDerWaalsContact OH-OG 3.11Å; D1736-S1773 VanDerWaalsContact CG-CB 3.45Å; D1736-S1773 VanDerWaalsContact CG-N 3.35Å; D1736-S1773 WeakPolarHBondContact OD1-CA 3.34Å; D1736-S1773 WeakPolarHBondContact OD1-CB 3.27Å; D1736-S1773 PolarHBondContact OD1-N 3.1Å; D1736-S1773 PolarHBondContact OD1-OG 3.01Å; D1736-S1773 VanDerWaalsContact OD1-OG 3.04Å; D1736-S1773 WeakPolarHBondContact OD2-CB 3.38Å; D1736-S1773 PolarHBondContact OD2-N 3.1Å; D1736-S1773 VanDerWaalsContact OD2-N 3.11Å; S1773-N1776 WeakPolarHBondContact O-CB 3.38Å; S1773-N1776 PolarHBondContact O-N 2.93Å; S1773-N1776 PolarHBondContact O-ND2 3.08Å; S1773-G1777 PolarHBondContact O-N 2.85Å
1774G81.7Confident86.2Confident45.6 Ų45.658.3 Ų58.347%0.4731%0.314SS..THydrogen-bonded Turntrans63.9-127.5172.700000113.4N1776 G1777 Q1778G1774-N1776 PolarHBondContact O-N 3.02Å; G1774-G1777 PolarHBondContact O-N 3.09Å; G1774-Q1778 VanDerWaalsContact O-CG 3.22Å; G1774-Q1778 WeakPolarHBondContact O-CG 3.35Å; G1774-Q1778 PolarHBondContact O-N 2.99Å; G1774-Q1778 PolarHBondContact O-NE2 3.11Å
1775P80Confident86.3Confident77.4 Ų77.458.2 Ų58.250%0.50332%0.322SS..THydrogen-bonded Turntrans-68.1-28.4177.3-8.820.4000113.6G1777 Q1778 R1826 G1827P1775-G1777 VanDerWaalsContact C-N 3.28Å; P1775-G1777 PolarHBondContact O-N 2.94Å; P1775-Q1778 WeakPolarHBondContact O-CB 3.41Å; P1775-Q1778 PolarHBondContact O-N 2.93Å; P1775-Q1778 VanDerWaalsContact O-N 3.14Å; P1775-R1826 HydrophobicContact CB-CB 4Å; P1775-R1826 CarbonylContact O-C 3.44Å; P1775-R1826 VanDerWaalsContact O-C 3.3Å; P1775-R1826 WeakPolarHBondContact O-CA 3.44Å; P1775-R1826 WeakPolarHBondContact O-CB 3.35Å; P1775-R1826 PolarHBondContact O-N 3.22Å; P1775-G1827 PolarHBondContact O-N 3.16Å
1776N81.8Confident86.2Confident26.8 Ų26.856.7 Ų56.714%0.14332%0.317CS..THydrogen-bonded Turntrans-66-40-178.9-58.3-16.3000110.1D1736 N1738 D1772 S1773 G1774 Q1778 D1825 G1827D1736-N1776 PolarHBondContact O-ND2 3.14Å; D1736-N1776 WeakPolarHBondContact OD2-CB 3.29Å; D1736-N1776 PolarHBondContact OD2-ND2 3.02Å; N1738-N1776 HydrophobicContact CB-CB 4.12Å; N1738-N1776 WeakPolarHBondContact CB-ND2 3.25Å; N1738-N1776 PolarHBondContact N-ND2 2.89Å; N1738-N1776 WeakPolarHBondContact OD1-CA 3.29Å; N1738-N1776 WeakPolarHBondContact OD1-CB 3.17Å; N1738-N1776 PolarHBondContact OD1-OD1 3.27Å; N1738-N1776 VanDerWaalsContact OD1-OD1 3.06Å; D1772-N1776 HydrophobicContact CB-CB 3.41Å; D1772-N1776 VanDerWaalsContact CB-CB 3.44Å; S1773-N1776 WeakPolarHBondContact O-CB 3.38Å; S1773-N1776 PolarHBondContact O-N 2.93Å; S1773-N1776 PolarHBondContact O-ND2 3.08Å; G1774-N1776 PolarHBondContact O-N 3.02Å; N1776-Q1778 VanDerWaalsContact C-N 3.31Å; N1776-Q1778 PolarHBondContact O-N 3Å; N1776-Q1778 VanDerWaalsContact O-N 3.11Å; N1776-D1825 WeakPolarHBondContact O-CB 3.26Å; N1776-G1827 WeakPolarHBondContact OD1-CA 3.12Å
1777G81.1Confident86.2Confident24.4 Ų24.458.2 Ų58.225%0.25233%0.326SS..THydrogen-bonded Turntrans-83.47.5175.700000117.7D1772 S1773 G1774 P1775 V1779D1772-G1777 WeakPolarHBondContact O-CA 3.32Å; D1772-G1777 PolarHBondContact O-N 3.42Å; S1773-G1777 PolarHBondContact O-N 2.85Å; G1774-G1777 PolarHBondContact O-N 3.09Å; P1775-G1777 VanDerWaalsContact C-N 3.28Å; P1775-G1777 PolarHBondContact O-N 2.94Å; G1777-V1779 PolarHBondContact O-N 2.89Å
1778Q84.2Confident86Confident90.2 Ų90.258.1 Ų58.142%0.42133%0.331SS..  trans-97105.8-174.5-82.7177.630.200113.5G1774 P1775 N1776 E1780 D1825 R1826G1774-Q1778 VanDerWaalsContact O-CG 3.22Å; G1774-Q1778 WeakPolarHBondContact O-CG 3.35Å; G1774-Q1778 PolarHBondContact O-N 2.99Å; G1774-Q1778 PolarHBondContact O-NE2 3.11Å; P1775-Q1778 WeakPolarHBondContact O-CB 3.41Å; P1775-Q1778 PolarHBondContact O-N 2.93Å; P1775-Q1778 VanDerWaalsContact O-N 3.14Å; N1776-Q1778 VanDerWaalsContact C-N 3.31Å; N1776-Q1778 PolarHBondContact O-N 3Å; N1776-Q1778 VanDerWaalsContact O-N 3.11Å; Q1778-E1780 PolarHBondContact O-N 2.97Å; Q1778-D1825 CarbonylContact O-C 3.54Å; Q1778-D1825 VanDerWaalsContact O-CA 3.28Å; Q1778-D1825 WeakPolarHBondContact O-CA 3.36Å; Q1778-R1826 HydrophobicContact CB-CB 4.37Å; Q1778-R1826 HydrophobicContact CB-CG 4.37Å; Q1778-R1826 PolarHBondContact O-N 2.96Å; Q1778-R1826 VanDerWaalsContact O-N 3.14Å
1779V87.2Confident86Confident26.2 Ų26.262.9 Ų62.916%0.15936%0.356CS..  trans-87.5134-177.2-170.80000114P1742 A1768 D1770 G1777 Y1781 A1823 R1824P1742-V1779 HydrophobicContact CB-CG1 4.29Å; P1742-V1779 HydrophobicContact CB-CG2 3.97Å; P1742-V1779 HydrophobicContact CG-CG2 4.34Å; A1768-V1779 HydrophobicContact CB-CG1 4.25Å; D1770-V1779 HydrophobicContact CB-CG2 4.28Å; G1777-V1779 PolarHBondContact O-N 2.89Å; V1779-Y1781 HydrophobicContact CB-CE2 4.37Å; V1779-Y1781 HydrophobicContact CG1-CD1 4.38Å; V1779-Y1781 HydrophobicContact CG1-CD2 4.42Å; V1779-Y1781 HydrophobicContact CG1-CE1 3.96Å; V1779-Y1781 HydrophobicContact CG1-CE2 4.14Å; V1779-A1823 HydrophobicContact CG1-CB 3.68Å; V1779-R1824 CarbonylContact C-O 3.56Å; V1779-R1824 VanDerWaalsContact CA-O 3.28Å; V1779-R1824 WeakPolarHBondContact CA-O 3.21Å
1780E89.3Confident86Confident80.6 Ų80.659.3 Ų59.338%0.37735%0.348SS..EExtended strand (participates in β ladder)trans-109.2138.2167-65.3-172.6166.400112.7Q1778 P1796 A1823 R1824 R1826Q1778-E1780 PolarHBondContact O-N 2.97Å; E1780-P1796 CarbonylContact C-O 3.39Å; E1780-P1796 VanDerWaalsContact CA-O 3.29Å; E1780-P1796 WeakPolarHBondContact CA-O 3.23Å; E1780-A1823 CarbonylContact O-C 3.39Å; E1780-A1823 VanDerWaalsContact O-CA 3.27Å; E1780-A1823 WeakPolarHBondContact O-CA 3.24Å; E1780-R1824 PolarHBondContact N-O 3.06Å; E1780-R1824 PolarHBondContact O-N 2.99Å; E1780-R1826 HydrophobicContact CG-CG 4.26Å; E1780-R1826 IonicContact OE1-CZ 3.38Å; E1780-R1826 VanDerWaalsContact OE1-CZ 3.23Å; E1780-R1826 IonicContact OE1-NE 3.84Å; E1780-R1826 PolarHBondContact OE1-NE 3.11Å; E1780-R1826 IonicContact OE1-NH2 3.01Å; E1780-R1826 PolarHBondContact OE1-NH2 3.16Å
1781Y92.1Very high86Confident14.6 Ų14.659 Ų596%0.05735%0.345CS..EExtended strand (participates in β ladder)trans-107.3145.5-178.4-57.4-83.6000114.5F1744 F1766 L1767 A1768 V1779 I1794 P1796 C1822 A1823F1744-Y1781 HydrophobicContact CE1-CD1 4.27Å; F1744-Y1781 AromaticContact CE1-CE1 3.82Å; F1744-Y1781 HydrophobicContact CE1-CE1 3.97Å; F1744-Y1781 AromaticContact CZ-CD1 3.98Å; F1744-Y1781 HydrophobicContact CZ-CD1 4.24Å; F1744-Y1781 AromaticContact CZ-CE1 4Å; F1744-Y1781 HydrophobicContact CZ-CE1 4.27Å; F1766-Y1781 WeakPolarHBondContact O-CE1 3.22Å; L1767-Y1781 WeakPolarHBondContact CA-OH 3.33Å; L1767-Y1781 WeakPolarHBondContact CD1-OH 3.05Å; A1768-Y1781 HydrophobicContact CB-CE1 4.1Å; A1768-Y1781 PolarHBondContact N-OH 2.93Å; A1768-Y1781 PolarHBondContact O-OH 3.03Å; V1779-Y1781 HydrophobicContact CB-CE2 4.37Å; V1779-Y1781 HydrophobicContact CG1-CD1 4.38Å; V1779-Y1781 HydrophobicContact CG1-CD2 4.42Å; V1779-Y1781 HydrophobicContact CG1-CE1 3.96Å; V1779-Y1781 HydrophobicContact CG1-CE2 4.14Å; Y1781-I1794 HydrophobicContact CG-CD1 4.43Å; Y1781-P1796 WeakPolarHBondContact CD2-O 3.24Å; Y1781-P1796 PolarHBondContact N-O 3.04Å; Y1781-P1796 VanDerWaalsContact O-CA 3.32Å; Y1781-P1796 WeakPolarHBondContact O-CA 3.29Å; Y1781-C1822 CarbonylContact C-O 3.49Å; Y1781-C1822 WeakPolarHBondContact CA-O 3.31Å; Y1781-A1823 HydrophobicContact CD1-CB 4.3Å; Y1781-A1823 HydrophobicContact CE1-CB 4.18Å
1782S91.5Very high86.3Confident48 Ų4850.7 Ų50.734%0.33631%0.314SS..EExtended strand (participates in β ladder)trans-151.8152.2173.254.70000113.4I1821 C1822S1782-I1821 CarbonylContact O-C 3.54Å; S1782-I1821 VanDerWaalsContact O-CA 3.24Å; S1782-I1821 WeakPolarHBondContact O-CA 3.33Å; S1782-I1821 WeakPolarHBondContact O-CG2 3.05Å; S1782-C1822 PolarHBondContact N-O 3.06Å; S1782-C1822 PolarHBondContact O-N 2.92Å; S1782-C1822 VanDerWaalsContact O-N 3.13Å
1783V90.6Very high86.4Confident46.2 Ų46.253.6 Ų53.628%0.2833%0.332SS..EExtended strand (participates in β ladder)trans-90.5128.9167.3175.60000108.2D1787 I1794 L1801 L1819 T1820 I1821V1783-D1787 HydrophobicContact CG1-CB 4.17Å; V1783-I1794 HydrophobicContact CB-CB 4.47Å; V1783-I1794 HydrophobicContact CB-CG2 4.07Å; V1783-I1794 HydrophobicContact CG2-CB 4.14Å; V1783-I1794 HydrophobicContact CG2-CD1 3.77Å; V1783-I1794 HydrophobicContact CG2-CG1 4.31Å; V1783-I1794 HydrophobicContact CG2-CG2 3.85Å; V1783-I1794 VanDerWaalsContact CG2-CG2 3.5Å; V1783-I1794 VanDerWaalsContact N-CG2 3.31Å; V1783-L1801 HydrophobicContact CG2-CD1 3.93Å; V1783-L1819 HydrophobicContact CG1-CD2 4.19Å; V1783-T1820 CarbonylContact C-O 3.46Å; V1783-T1820 WeakPolarHBondContact CA-O 3.42Å; V1783-I1821 HydrophobicContact CG2-CD1 4.34Å; V1783-I1821 HydrophobicContact CG2-CG1 4.16Å
1784V88.5Confident86.9Confident87.2 Ų87.252.5 Ų52.553%0.52832%0.323SS..EExtended strand (participates in β ladder)trans-117.6-19.4-174-72.40000114.9T1820 C1822 T1834V1784-T1820 HydrophobicContact CG2-CG2 3.75Å; V1784-T1820 VanDerWaalsContact CG2-O 3.29Å; V1784-T1820 WeakPolarHBondContact CG2-O 3.36Å; V1784-T1820 PolarHBondContact N-O 2.98Å; V1784-C1822 HydrophobicContact CB-CB 4.42Å; V1784-C1822 HydrophobicContact CG1-CB 3.57Å; V1784-C1822 HydrophobicContact CG2-CB 4.07Å; V1784-T1834 HydrophobicContact CG2-CG2 4.36Å
1785D89.1Confident87.2Confident117 Ų11751.7 Ų51.763%0.62631%0.31SS*.EExtended strand (participates in β ladder)trans-158.1166.5174.7-162.16.8000111.3L1819 T1820D1785-L1819 CarbonylContact O-C 3.46Å; D1785-L1819 VanDerWaalsContact O-CA 3.29Å; D1785-L1819 WeakPolarHBondContact O-CA 3.45Å; D1785-T1820 PolarHBondContact O-N 3.02Å
1786G86Confident87.6Confident22.4 Ų22.451.4 Ų51.423%0.23131%0.308CS..SBendtrans96.4-4.216800000117.5P1788 N1818 L1819G1786-P1788 WeakPolarHBondContact O-CD 3.41Å; G1786-N1818 CarbonylContact C-O 3.5Å; G1786-N1818 WeakPolarHBondContact CA-O 3.41Å; G1786-L1819 VanDerWaalsContact C-CD2 3.49Å; G1786-L1819 WeakPolarHBondContact O-CD2 3.3Å
1787D88.8Confident87.7Confident36.4 Ų36.455.4 Ų55.420%0.19533%0.333CS..  trans-11089.1177.6-175.61.4000110.9V1783 L1789 G1790 E1791 F1792 L1819V1783-D1787 HydrophobicContact CG1-CB 4.17Å; D1787-L1789 VanDerWaalsContact C-N 3.31Å; D1787-L1789 PolarHBondContact O-N 3.02Å; D1787-L1789 PolarHBondContact OD1-N 3Å; D1787-G1790 VanDerWaalsContact CG-CA 3.45Å; D1787-G1790 PolarHBondContact O-N 2.99Å; D1787-G1790 VanDerWaalsContact OD1-CA 3.27Å; D1787-G1790 WeakPolarHBondContact OD1-CA 3.28Å; D1787-G1790 PolarHBondContact OD1-N 3Å; D1787-G1790 VanDerWaalsContact OD1-N 3.07Å; D1787-G1790 VanDerWaalsContact OD2-C 3.25Å; D1787-G1790 VanDerWaalsContact OD2-CA 3.29Å; D1787-G1790 WeakPolarHBondContact OD2-CA 3.35Å; D1787-E1791 VanDerWaalsContact CG-N 3.29Å; D1787-E1791 PolarHBondContact OD1-N 3.07Å; D1787-E1791 PolarHBondContact OD2-N 2.92Å; D1787-F1792 HydrophobicContact CB-CD2 4.37Å; D1787-F1792 WeakPolarHBondContact OD2-CA 3.41Å; D1787-F1792 PolarHBondContact OD2-N 3.06Å; D1787-L1819 HydrophobicContact CB-CD2 3.76Å; D1787-L1819 VanDerWaalsContact CB-CD2 3.49Å
1788P83.3Confident87.9Confident100.4 Ų100.460 Ų6065%0.65235%0.348SS*.SBendtrans-77.3-20.6-17230.8-35.7000114.3G1786 I1814G1786-P1788 WeakPolarHBondContact O-CD 3.41Å; P1788-I1814 HydrophobicContact CG-CD1 3.87Å
1789L84.5Confident88Confident104.4 Ų104.455.7 Ų55.755%0.54733%0.328SS..SBendtrans-106.9-8.4-178.4-65.7177.7000112.6D1787 E1791 T1813 I1814D1787-L1789 VanDerWaalsContact C-N 3.31Å; D1787-L1789 PolarHBondContact O-N 3.02Å; D1787-L1789 PolarHBondContact OD1-N 3Å; L1789-E1791 VanDerWaalsContact C-N 3.3Å; L1789-E1791 VanDerWaalsContact CB-CD 3.45Å; L1789-E1791 HydrophobicContact CB-CG 3.66Å; L1789-E1791 WeakPolarHBondContact CB-OE2 3.46Å; L1789-T1813 HydrophobicContact CD1-CG2 3.81Å; L1789-I1814 HydrophobicContact CD1-CD1 4.02Å; L1789-I1814 HydrophobicContact CG-CD1 4.46Å
1790G85.2Confident88.2Confident30.6 Ų30.655.2 Ų55.232%0.31533%0.325SS..  trans76.735.517900000112.6D1787 F1792 R1804D1787-G1790 VanDerWaalsContact CG-CA 3.45Å; D1787-G1790 PolarHBondContact O-N 2.99Å; D1787-G1790 VanDerWaalsContact OD1-CA 3.27Å; D1787-G1790 WeakPolarHBondContact OD1-CA 3.28Å; D1787-G1790 PolarHBondContact OD1-N 3Å; D1787-G1790 VanDerWaalsContact OD1-N 3.07Å; D1787-G1790 VanDerWaalsContact OD2-C 3.25Å; D1787-G1790 VanDerWaalsContact OD2-CA 3.29Å; D1787-G1790 WeakPolarHBondContact OD2-CA 3.35Å; G1790-F1792 VanDerWaalsContact C-N 3.31Å; G1790-F1792 PolarHBondContact O-N 2.96Å; G1790-R1804 WeakPolarHBondContact O-CD 3.27Å; G1790-R1804 PolarHBondContact O-NH1 3.09Å
1791E87.5Confident88.3Confident18.2 Ų18.251.4 Ų51.49%0.08531%0.307CS..  trans-87.6-16.9-169.4-63.2172.8121.900112.9D1787 L1789 V1803 R1804 V1807 L1809 Y1817D1787-E1791 VanDerWaalsContact CG-N 3.29Å; D1787-E1791 PolarHBondContact OD1-N 3.07Å; D1787-E1791 PolarHBondContact OD2-N 2.92Å; L1789-E1791 VanDerWaalsContact C-N 3.3Å; L1789-E1791 VanDerWaalsContact CB-CD 3.45Å; L1789-E1791 HydrophobicContact CB-CG 3.66Å; L1789-E1791 WeakPolarHBondContact CB-OE2 3.46Å; E1791-V1803 CarbonylContact O-C 3.54Å; E1791-V1803 WeakPolarHBondContact O-CA 3.25Å; E1791-R1804 WeakPolarHBondContact O-CB 3.32Å; E1791-R1804 WeakPolarHBondContact O-CG 3.45Å; E1791-R1804 PolarHBondContact O-N 2.92Å; E1791-V1807 HydrophobicContact CB-CG1 4.06Å; E1791-V1807 HydrophobicContact CG-CG1 4.02Å; E1791-L1809 HydrophobicContact CB-CD2 4.18Å; E1791-Y1817 VanDerWaalsContact OE2-CE1 3.31Å; E1791-Y1817 WeakPolarHBondContact OE2-CE1 3.3Å; E1791-Y1817 VanDerWaalsContact OE2-CZ 3.28Å; E1791-Y1817 PolarHBondContact OE2-OH 3.11Å
1792F90.6Very high88.2Confident13.6 Ų13.656 Ų566%0.0632%0.324CS..EExtended strand (participates in β ladder)trans-112.6147.4-176.4-61.5-86.8000113.1V1763 D1787 G1790 L1801 R1802 V1803 L1809 Y1817 L1819 I1839V1763-F1792 HydrophobicContact CG2-CD1 3.99Å; V1763-F1792 HydrophobicContact CG2-CE1 3.94Å; D1787-F1792 HydrophobicContact CB-CD2 4.37Å; D1787-F1792 WeakPolarHBondContact OD2-CA 3.41Å; D1787-F1792 PolarHBondContact OD2-N 3.06Å; G1790-F1792 VanDerWaalsContact C-N 3.31Å; G1790-F1792 PolarHBondContact O-N 2.96Å; F1792-L1801 HydrophobicContact CB-CD1 4.13Å; F1792-R1802 CarbonylContact C-O 3.52Å; F1792-R1802 VanDerWaalsContact CA-O 3.3Å; F1792-R1802 WeakPolarHBondContact CA-O 3.24Å; F1792-V1803 HydrophobicContact CD1-CG2 4.19Å; F1792-V1803 HydrophobicContact CE1-CG2 3.71Å; F1792-V1803 HydrophobicContact CZ-CG2 4.39Å; F1792-L1809 HydrophobicContact CE1-CD1 4.44Å; F1792-L1809 HydrophobicContact CE2-CD2 4.25Å; F1792-L1809 HydrophobicContact CZ-CD1 4.03Å; F1792-L1809 HydrophobicContact CZ-CD2 4.13Å; F1792-Y1817 HydrophobicContact CD2-CD1 4.33Å; F1792-Y1817 HydrophobicContact CD2-CE1 4.4Å; F1792-Y1817 AromaticContact CE2-CD1 3.65Å; F1792-Y1817 HydrophobicContact CE2-CD1 3.65Å; F1792-Y1817 AromaticContact CE2-CD2 3.82Å; F1792-Y1817 HydrophobicContact CE2-CD2 4.02Å; F1792-Y1817 AromaticContact CE2-CE1 3.69Å; F1792-Y1817 HydrophobicContact CE2-CE1 3.79Å; F1792-Y1817 HydrophobicContact CE2-CE2 4.14Å; F1792-Y1817 AromaticContact CE2-CG 3.76Å; F1792-Y1817 HydrophobicContact CE2-CG 3.86Å; F1792-Y1817 AromaticContact CE2-CZ 3.91Å; F1792-Y1817 HydrophobicContact CZ-CD1 4.37Å; F1792-Y1817 AromaticContact CZ-CD2 3.83Å; F1792-Y1817 HydrophobicContact CZ-CD2 4.13Å; F1792-Y1817 HydrophobicContact CZ-CE1 4.48Å; F1792-Y1817 HydrophobicContact CZ-CE2 4.22Å; F1792-Y1817 HydrophobicContact CZ-CG 4.17Å; F1792-L1819 HydrophobicContact CB-CD1 4.11Å; F1792-L1819 HydrophobicContact CB-CD2 4.43Å; F1792-L1819 HydrophobicContact CD1-CD1 4.11Å; F1792-L1819 HydrophobicContact CD2-CD1 4.14Å; F1792-L1819 HydrophobicContact CD2-CD2 4.13Å; F1792-L1819 HydrophobicContact CE1-CD1 4.48Å; F1792-L1819 HydrophobicContact CE2-CD2 4.41Å; F1792-L1819 HydrophobicContact CG-CD1 3.88Å; F1792-L1819 HydrophobicContact CG-CD2 4.44Å; F1792-I1839 HydrophobicContact CD1-CD1 3.89Å; F1792-I1839 HydrophobicContact CD2-CD1 4.49Å; F1792-I1839 HydrophobicContact CE1-CD1 3.33Å; F1792-I1839 VanDerWaalsContact CE1-CD1 3.45Å; F1792-I1839 HydrophobicContact CE1-CG2 4.4Å; F1792-I1839 HydrophobicContact CE2-CD1 4.19Å; F1792-I1839 HydrophobicContact CG-CD1 4.28Å; F1792-I1839 HydrophobicContact CZ-CD1 3.64Å; F1792-I1839 VanDerWaalsContact CZ-CD1 3.46Å; F1792-I1839 HydrophobicContact CZ-CG2 4.39Å
1793V89.9Confident88Confident70.4 Ų70.453.8 Ų53.843%0.42731%0.309SS..EExtended strand (participates in β ladder)trans-136.1135.6174.77.30000110.5L1801 R1802 R1804V1793-L1801 VanDerWaalsContact O-CA 3.27Å; V1793-L1801 WeakPolarHBondContact O-CA 3.33Å; V1793-R1802 HydrophobicContact CG1-CG 4.22Å; V1793-R1802 HydrophobicContact CG2-CB 4.38Å; V1793-R1802 HydrophobicContact CG2-CG 3.51Å; V1793-R1802 PolarHBondContact N-O 3.04Å; V1793-R1802 WeakPolarHBondContact O-CG 3.41Å; V1793-R1802 PolarHBondContact O-N 3.04Å; V1793-R1802 VanDerWaalsContact O-O 3.12Å; V1793-R1804 HydrophobicContact CG1-CG 4.34Å; V1793-R1804 HydrophobicContact CG2-CG 3.76Å
1794I91.8Very high87.8Confident22.8 Ų22.855.9 Ų55.912%0.11731%0.312CS..EExtended strand (participates in β ladder)trans-109.6141.5172.5-166.7159.1000111.6F1766 Y1781 V1783 P1796 G1799 V1800 L1801 I1821F1766-I1794 HydrophobicContact CD2-CD1 4.01Å; F1766-I1794 HydrophobicContact CE2-CD1 4.42Å; Y1781-I1794 HydrophobicContact CG-CD1 4.43Å; V1783-I1794 HydrophobicContact CB-CB 4.47Å; V1783-I1794 HydrophobicContact CB-CG2 4.07Å; V1783-I1794 HydrophobicContact CG2-CB 4.14Å; V1783-I1794 HydrophobicContact CG2-CD1 3.77Å; V1783-I1794 HydrophobicContact CG2-CG1 4.31Å; V1783-I1794 HydrophobicContact CG2-CG2 3.85Å; V1783-I1794 VanDerWaalsContact CG2-CG2 3.5Å; V1783-I1794 VanDerWaalsContact N-CG2 3.31Å; I1794-P1796 WeakPolarHBondContact O-CD 3.31Å; I1794-G1799 WeakPolarHBondContact CD1-O 3.41Å; I1794-V1800 CarbonylContact C-O 3.57Å; I1794-V1800 VanDerWaalsContact CA-O 3.27Å; I1794-V1800 WeakPolarHBondContact CA-O 3.31Å; I1794-L1801 HydrophobicContact CB-CD1 4.05Å; I1794-L1801 HydrophobicContact CD1-CB 4.44Å; I1794-I1821 HydrophobicContact CD1-CD1 3.95Å; I1794-I1821 HydrophobicContact CD1-CG1 4.45Å; I1794-I1821 HydrophobicContact CD1-CG2 3.96Å
1795S89Confident87.3Confident27.6 Ų27.659.6 Ų59.619%0.19332%0.321CS..  trans-74.8123.1170.8179.40000110.1V1797 E1798 G1799 V1800S1795-V1797 PolarHBondContact O-N 2.94Å; S1795-V1797 VanDerWaalsContact O-N 3.15Å; S1795-E1798 PolarHBondContact O-N 2.86Å; S1795-E1798 WeakPolarHBondContact OG-CB 3.3Å; S1795-E1798 WeakPolarHBondContact OG-CG 3.46Å; S1795-E1798 PolarHBondContact OG-N 3.09Å; S1795-E1798 PolarHBondContact OG-OE2 3.14Å; S1795-E1798 VanDerWaalsContact OG-OE2 3.12Å; S1795-G1799 VanDerWaalsContact O-CA 3.3Å; S1795-G1799 WeakPolarHBondContact O-CA 3.37Å; S1795-G1799 PolarHBondContact O-N 2.88Å; S1795-V1800 PolarHBondContact N-O 3.15Å
1796P87.6Confident86.9Confident71.6 Ų71.659.6 Ų59.647%0.46532%0.321SS..THydrogen-bonded Turntrans-69.6-20-175.318.5-23.1000113.7E1780 Y1781 I1794E1780-P1796 CarbonylContact C-O 3.39Å; E1780-P1796 VanDerWaalsContact CA-O 3.29Å; E1780-P1796 WeakPolarHBondContact CA-O 3.23Å; Y1781-P1796 WeakPolarHBondContact CD2-O 3.24Å; Y1781-P1796 PolarHBondContact N-O 3.04Å; Y1781-P1796 VanDerWaalsContact O-CA 3.32Å; Y1781-P1796 WeakPolarHBondContact O-CA 3.29Å; I1794-P1796 WeakPolarHBondContact O-CD 3.31Å
1797V84.6Confident86.6Confident111.6 Ų111.659.7 Ų59.768%0.67632%0.317SS*.THydrogen-bonded Turntrans-103.2-38.3178.6-176.70000111.7S1795S1795-V1797 PolarHBondContact O-N 2.94Å; S1795-V1797 VanDerWaalsContact O-N 3.15Å
1798E84.8Confident86.3Confident120.6 Ų120.663.9 Ų63.956%0.56434%0.335SS*.THydrogen-bonded Turntrans-94.1-12-174.5-52.8176.1144.400113.8T1765 S1795 V1800 R1802T1765-E1798 WeakPolarHBondContact CG2-O 3.2Å; S1795-E1798 PolarHBondContact O-N 2.86Å; S1795-E1798 WeakPolarHBondContact OG-CB 3.3Å; S1795-E1798 WeakPolarHBondContact OG-CG 3.46Å; S1795-E1798 PolarHBondContact OG-N 3.09Å; S1795-E1798 PolarHBondContact OG-OE2 3.14Å; S1795-E1798 VanDerWaalsContact OG-OE2 3.12Å; E1798-V1800 VanDerWaalsContact C-N 3.29Å; E1798-V1800 HydrophobicContact CB-CB 4.3Å; E1798-V1800 HydrophobicContact CB-CG2 3.7Å; E1798-V1800 PolarHBondContact O-N 3.16Å; E1798-V1800 VanDerWaalsContact O-N 3.11Å; E1798-R1802 IonicContact OE2-NH2 3.32Å
1799G86.2Confident86.4Confident0 Ų059.4 Ų59.40%031%0.306CS..  trans65.611.9-174.900000114.9T1765 F1766 I1794 S1795 L1801T1765-G1799 WeakPolarHBondContact CA-O 3.31Å; F1766-G1799 WeakPolarHBondContact CD2-O 3.34Å; F1766-G1799 PolarHBondContact N-O 2.94Å; F1766-G1799 WeakPolarHBondContact O-CA 3.27Å; I1794-G1799 WeakPolarHBondContact CD1-O 3.41Å; S1795-G1799 VanDerWaalsContact O-CA 3.3Å; S1795-G1799 WeakPolarHBondContact O-CA 3.37Å; S1795-G1799 PolarHBondContact O-N 2.88Å; G1799-L1801 PolarHBondContact O-N 3.25Å
1800V90.5Very high86.4Confident16 Ų1657.6 Ų57.610%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-77.3111.7-176.6179.40000111.2R1762 W1764 T1765 I1794 S1795 E1798 R1802R1762-V1800 HydrophobicContact CG-CG1 3.88Å; W1764-V1800 CarbonylContact O-C 3.52Å; T1765-V1800 HydrophobicContact CG2-CB 4.48Å; T1765-V1800 HydrophobicContact CG2-CG2 3.75Å; T1765-V1800 WeakPolarHBondContact OG1-CG2 3.27Å; I1794-V1800 CarbonylContact C-O 3.57Å; I1794-V1800 VanDerWaalsContact CA-O 3.27Å; I1794-V1800 WeakPolarHBondContact CA-O 3.31Å; S1795-V1800 PolarHBondContact N-O 3.15Å; E1798-V1800 VanDerWaalsContact C-N 3.29Å; E1798-V1800 HydrophobicContact CB-CB 4.3Å; E1798-V1800 HydrophobicContact CB-CG2 3.7Å; E1798-V1800 PolarHBondContact O-N 3.16Å; E1798-V1800 VanDerWaalsContact O-N 3.11Å; V1800-R1802 HydrophobicContact CG1-CG 4.19Å
1801L91.5Very high86.5Confident0.6 Ų0.658.3 Ų58.30%0.00329%0.29CS..EExtended strand (participates in β ladder)trans-89.9133.2173.6-175.874.7000111.2R1762 V1763 W1764 F1766 V1783 F1792 V1793 I1794 G1799 L1819 I1821 V1837 I1839R1762-L1801 WeakPolarHBondContact CG-O 3.3Å; V1763-L1801 HydrophobicContact CB-CB 4.44Å; V1763-L1801 HydrophobicContact CB-CD2 4.01Å; V1763-L1801 HydrophobicContact CB-CG 4.18Å; V1763-L1801 WeakPolarHBondContact CB-O 3.37Å; V1763-L1801 HydrophobicContact CG1-CD2 4.03Å; V1763-L1801 HydrophobicContact CG2-CD2 4.39Å; V1763-L1801 HydrophobicContact CG2-CG 4.39Å; V1763-L1801 PolarHBondContact N-O 2.85Å; W1764-L1801 PolarHBondContact N-O 2.87Å; W1764-L1801 VanDerWaalsContact N-O 3.13Å; W1764-L1801 PolarHBondContact O-N 3.18Å; W1764-L1801 VanDerWaalsContact O-N 3.07Å; F1766-L1801 HydrophobicContact CD2-CB 4.27Å; F1766-L1801 HydrophobicContact CE2-CB 3.68Å; F1766-L1801 HydrophobicContact CE2-CD2 3.84Å; F1766-L1801 HydrophobicContact CE2-CG 4.28Å; F1766-L1801 HydrophobicContact CZ-CB 4.45Å; F1766-L1801 HydrophobicContact CZ-CD2 4.21Å; V1783-L1801 HydrophobicContact CG2-CD1 3.93Å; F1792-L1801 HydrophobicContact CB-CD1 4.13Å; V1793-L1801 VanDerWaalsContact O-CA 3.27Å; V1793-L1801 WeakPolarHBondContact O-CA 3.33Å; I1794-L1801 HydrophobicContact CB-CD1 4.05Å; I1794-L1801 HydrophobicContact CD1-CB 4.44Å; G1799-L1801 PolarHBondContact O-N 3.25Å; L1801-L1819 HydrophobicContact CD1-CD1 4.13Å; L1801-L1819 HydrophobicContact CD2-CD1 3.74Å; L1801-L1819 VanDerWaalsContact CD2-CD1 3.45Å; L1801-L1819 HydrophobicContact CG-CD1 4.38Å; L1801-I1821 HydrophobicContact CD1-CD1 4.45Å; L1801-I1821 HydrophobicContact CD2-CD1 4.35Å; L1801-V1837 HydrophobicContact CD2-CG1 4.21Å; L1801-I1839 HydrophobicContact CD2-CD1 3.99Å
1802R89.7Confident86.4Confident110.6 Ų110.661 Ų6142%0.41730%0.302SS..EExtended strand (participates in β ladder)trans-141.1154.9178.8-22.1-173.9174.4-162.50.6111P1761 R1762 F1792 V1793 E1798 V1800P1761-R1802 CarbonylContact O-C 3.36Å; P1761-R1802 VanDerWaalsContact O-CA 3.32Å; P1761-R1802 WeakPolarHBondContact O-CA 3.34Å; P1761-R1802 WeakPolarHBondContact O-CB 3.32Å; R1762-R1802 HydrophobicContact CB-CG 4.34Å; R1762-R1802 HydrophobicContact CG-CG 4.27Å; F1792-R1802 CarbonylContact C-O 3.52Å; F1792-R1802 VanDerWaalsContact CA-O 3.3Å; F1792-R1802 WeakPolarHBondContact CA-O 3.24Å; V1793-R1802 HydrophobicContact CG1-CG 4.22Å; V1793-R1802 HydrophobicContact CG2-CB 4.38Å; V1793-R1802 HydrophobicContact CG2-CG 3.51Å; V1793-R1802 PolarHBondContact N-O 3.04Å; V1793-R1802 WeakPolarHBondContact O-CG 3.41Å; V1793-R1802 PolarHBondContact O-N 3.04Å; V1793-R1802 VanDerWaalsContact O-O 3.12Å; E1798-R1802 IonicContact OE2-NH2 3.32Å; V1800-R1802 HydrophobicContact CG1-CG 4.19Å
1803V88.2Confident85.9Confident2.4 Ų2.464.7 Ų64.72%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-67.7149.5158.7-1760000108.2V1754 G1760 P1761 V1763 E1791 F1792 V1807 L1809V1754-V1803 HydrophobicContact CG1-CG2 4.3Å; G1760-V1803 VanDerWaalsContact CA-O 3.22Å; G1760-V1803 WeakPolarHBondContact CA-O 3.26Å; P1761-V1803 HydrophobicContact CG-CB 4.08Å; P1761-V1803 HydrophobicContact CG-CG2 3.85Å; P1761-V1803 PolarHBondContact O-N 2.84Å; V1763-V1803 HydrophobicContact CG2-CG2 4.15Å; E1791-V1803 CarbonylContact O-C 3.54Å; E1791-V1803 WeakPolarHBondContact O-CA 3.25Å; F1792-V1803 HydrophobicContact CD1-CG2 4.19Å; F1792-V1803 HydrophobicContact CE1-CG2 3.71Å; F1792-V1803 HydrophobicContact CZ-CG2 4.39Å; V1803-V1807 HydrophobicContact CG1-CB 4.38Å; V1803-V1807 HydrophobicContact CG1-CG1 4.35Å; V1803-L1809 HydrophobicContact CG1-CD2 4.15Å; V1803-L1809 HydrophobicContact CG1-CG 4.03Å; V1803-L1809 HydrophobicContact CG2-CD1 3.71Å; V1803-L1809 HydrophobicContact CG2-CD2 4.41Å; V1803-L1809 HydrophobicContact CG2-CG 4.05Å
1804R85.5Confident85.7Confident88.6 Ų88.663.5 Ų63.533%0.33432%0.317SS..  trans-62.7151.3173.2-100.9172.464.1-168.3-0.6111.5G1760 G1790 E1791 V1793 D1806 V1807G1760-R1804 WeakPolarHBondContact CA-O 3.26Å; G1760-R1804 PolarHBondContact N-O 3.06Å; G1760-R1804 VanDerWaalsContact N-O 3.08Å; G1790-R1804 WeakPolarHBondContact O-CD 3.27Å; G1790-R1804 PolarHBondContact O-NH1 3.09Å; E1791-R1804 WeakPolarHBondContact O-CB 3.32Å; E1791-R1804 WeakPolarHBondContact O-CG 3.45Å; E1791-R1804 PolarHBondContact O-N 2.92Å; V1793-R1804 HydrophobicContact CG1-CG 4.34Å; V1793-R1804 HydrophobicContact CG2-CG 3.76Å; R1804-D1806 VanDerWaalsContact C-N 3.28Å; R1804-D1806 WeakPolarHBondContact CB-OD1 3.36Å; R1804-D1806 WeakPolarHBondContact CD-OD1 3.32Å; R1804-D1806 WeakPolarHBondContact CG-OD1 3.19Å; R1804-D1806 IonicContact CZ-OD1 3.09Å; R1804-D1806 IonicContact CZ-OD2 3.39Å; R1804-D1806 VanDerWaalsContact NE-CG 3.32Å; R1804-D1806 IonicContact NE-OD1 3.19Å; R1804-D1806 PolarHBondContact NE-OD1 3.16Å; R1804-D1806 IonicContact NE-OD2 2.81Å; R1804-D1806 PolarHBondContact NE-OD2 2.81Å; R1804-D1806 VanDerWaalsContact NE-OD2 3.08Å; R1804-D1806 IonicContact NH2-OD1 2.83Å; R1804-D1806 PolarHBondContact NH2-OD1 3.41Å; R1804-D1806 IonicContact NH2-OD2 3Å; R1804-D1806 PolarHBondContact NH2-OD2 3Å; R1804-D1806 PolarHBondContact O-N 2.82Å; R1804-V1807 HydrophobicContact CB-CB 4.07Å; R1804-V1807 HydrophobicContact CB-CG2 3.98Å; R1804-V1807 PolarHBondContact O-N 2.94Å; R1804-V1807 VanDerWaalsContact O-N 3.13Å; R1804-V1807 VanDerWaalsContact O-O 3.12Å
1805K79Confident85.3Confident166.2 Ų166.264.7 Ų64.772%0.72333%0.33SS*.THydrogen-bonded Turntrans-75.4-19.2-178.7-72.1-173.6175.3-175.20113.8P1759P1759-K1805 WeakPolarHBondContact CB-O 3.26Å
1806D80.7Confident85.3Confident115.6 Ų115.667.1 Ų67.162%0.61834%0.337SS*.THydrogen-bonded Turntrans-103.615.5-177.759.8-44.4000112.6R1804R1804-D1806 VanDerWaalsContact C-N 3.28Å; R1804-D1806 WeakPolarHBondContact CB-OD1 3.36Å; R1804-D1806 WeakPolarHBondContact CD-OD1 3.32Å; R1804-D1806 WeakPolarHBondContact CG-OD1 3.19Å; R1804-D1806 IonicContact CZ-OD1 3.09Å; R1804-D1806 IonicContact CZ-OD2 3.39Å; R1804-D1806 VanDerWaalsContact NE-CG 3.32Å; R1804-D1806 IonicContact NE-OD1 3.19Å; R1804-D1806 PolarHBondContact NE-OD1 3.16Å; R1804-D1806 IonicContact NE-OD2 2.81Å; R1804-D1806 PolarHBondContact NE-OD2 2.81Å; R1804-D1806 VanDerWaalsContact NE-OD2 3.08Å; R1804-D1806 IonicContact NH2-OD1 2.83Å; R1804-D1806 PolarHBondContact NH2-OD1 3.41Å; R1804-D1806 IonicContact NH2-OD2 3Å; R1804-D1806 PolarHBondContact NH2-OD2 3Å; R1804-D1806 PolarHBondContact O-N 2.82Å
1807V80.5Confident85.4Confident25.6 Ų25.664.1 Ų64.116%0.15532%0.317CS..  trans-132.5135.9179.2178.80000108.7P1759 E1791 V1803 R1804 L1809P1759-V1807 WeakPolarHBondContact CA-O 3.37Å; E1791-V1807 HydrophobicContact CB-CG1 4.06Å; E1791-V1807 HydrophobicContact CG-CG1 4.02Å; V1803-V1807 HydrophobicContact CG1-CB 4.38Å; V1803-V1807 HydrophobicContact CG1-CG1 4.35Å; R1804-V1807 HydrophobicContact CB-CB 4.07Å; R1804-V1807 HydrophobicContact CB-CG2 3.98Å; R1804-V1807 PolarHBondContact O-N 2.94Å; R1804-V1807 VanDerWaalsContact O-N 3.13Å; R1804-V1807 VanDerWaalsContact O-O 3.12Å; V1807-L1809 HydrophobicContact CG1-CD2 4.49Å
1808E80.8Confident85.6Confident123.8 Ų123.862.7 Ų62.758%0.57931%0.306SS*.  trans-109.9131165.9-72.4169.3-175.700106.8P1759P1759-E1808 HydrophobicContact CB-CG 4.01Å; P1759-E1808 HydrophobicContact CG-CG 4.33Å
1809L86.4Confident85.9Confident6.4 Ų6.457 Ų573%0.03428%0.279CS..  trans-73.7147.3174.7-60.8-179.7000109.4V1754 E1756 G1757 E1791 F1792 V1803 V1807 Y1817 V1841V1754-L1809 HydrophobicContact CB-CD1 4.21Å; V1754-L1809 HydrophobicContact CG1-CD1 3.82Å; E1756-L1809 CarbonylContact C-O 3.18Å; E1756-L1809 VanDerWaalsContact CA-O 3.3Å; E1756-L1809 WeakPolarHBondContact CA-O 3.31Å; E1756-L1809 VanDerWaalsContact CB-O 3.28Å; E1756-L1809 WeakPolarHBondContact CB-O 3.24Å; G1757-L1809 PolarHBondContact N-O 2.91Å; G1757-L1809 VanDerWaalsContact N-O 3.16Å; E1791-L1809 HydrophobicContact CB-CD2 4.18Å; F1792-L1809 HydrophobicContact CE1-CD1 4.44Å; F1792-L1809 HydrophobicContact CE2-CD2 4.25Å; F1792-L1809 HydrophobicContact CZ-CD1 4.03Å; F1792-L1809 HydrophobicContact CZ-CD2 4.13Å; V1803-L1809 HydrophobicContact CG1-CD2 4.15Å; V1803-L1809 HydrophobicContact CG1-CG 4.03Å; V1803-L1809 HydrophobicContact CG2-CD1 3.71Å; V1803-L1809 HydrophobicContact CG2-CD2 4.41Å; V1803-L1809 HydrophobicContact CG2-CG 4.05Å; V1807-L1809 HydrophobicContact CG1-CD2 4.49Å; L1809-Y1817 HydrophobicContact CD2-CE2 4.39Å; L1809-V1841 HydrophobicContact CB-CG1 4.31Å; L1809-V1841 HydrophobicContact CB-CG2 4.48Å; L1809-V1841 HydrophobicContact CD1-CG2 4.16Å
1810D84.7Confident86.1Confident65.8 Ų65.858.4 Ų58.435%0.35229%0.288SS..  trans-131.6119-179.7158.58.5000107.8E1812 T1813 I1814D1810-E1812 VanDerWaalsContact C-N 3.29Å; D1810-E1812 PolarHBondContact O-N 3.19Å; D1810-E1812 WeakPolarHBondContact OD1-CA 3.33Å; D1810-E1812 WeakPolarHBondContact OD1-CB 3.25Å; D1810-E1812 PolarHBondContact OD1-N 3.08Å; D1810-T1813 VanDerWaalsContact CG-CB 3.45Å; D1810-T1813 VanDerWaalsContact CG-OG1 3.24Å; D1810-T1813 PolarHBondContact O-N 3.18Å; D1810-T1813 VanDerWaalsContact O-N 3.16Å; D1810-T1813 WeakPolarHBondContact OD1-CB 3.21Å; D1810-T1813 PolarHBondContact OD1-N 3.09Å; D1810-T1813 PolarHBondContact OD1-OG1 2.87Å; D1810-T1813 VanDerWaalsContact OD2-CB 3.24Å; D1810-T1813 WeakPolarHBondContact OD2-CB 3.24Å; D1810-T1813 PolarHBondContact OD2-OG1 3.06Å; D1810-I1814 PolarHBondContact O-N 3.11Å; D1810-I1814 VanDerWaalsContact O-N 3.1Å
1811R87.3Confident86.2Confident46.6 Ų46.657.7 Ų57.718%0.17628%0.283CS..THydrogen-bonded Turntrans-77.3-29.1-174.5-166.4-146.96582.5-9112.2E1756 T1813 I1814 A1815 V1841 D1843 A1878 D1879 S1880E1756-R1811 HydrophobicContact CB-CB 4.32Å; E1756-R1811 WeakPolarHBondContact OE2-CA 3.36Å; E1756-R1811 WeakPolarHBondContact OE2-CB 3.4Å; E1756-R1811 PolarHBondContact OE2-N 3.01Å; R1811-T1813 VanDerWaalsContact C-N 3.26Å; R1811-T1813 PolarHBondContact O-N 2.81Å; R1811-I1814 CarbonylContact O-C 3.55Å; R1811-I1814 PolarHBondContact O-N 2.77Å; R1811-A1815 HydrophobicContact CG-CB 3.88Å; R1811-A1815 PolarHBondContact O-N 3.13Å; R1811-A1815 VanDerWaalsContact O-N 3.13Å; R1811-V1841 HydrophobicContact CB-CB 4.14Å; R1811-V1841 HydrophobicContact CB-CG1 3.78Å; R1811-V1841 HydrophobicContact CG-CB 3.97Å; R1811-V1841 HydrophobicContact CG-CG1 4.14Å; R1811-V1841 WeakPolarHBondContact CG-O 3.48Å; R1811-D1843 VanDerWaalsContact CD-OD1 3.28Å; R1811-D1843 WeakPolarHBondContact CD-OD1 3.42Å; R1811-D1843 IonicContact CZ-OD1 3.35Å; R1811-D1843 VanDerWaalsContact CZ-OD1 3.24Å; R1811-D1843 IonicContact NE-OD1 3.28Å; R1811-D1843 PolarHBondContact NE-OD1 3.03Å; R1811-D1843 VanDerWaalsContact NE-OD1 3.12Å; R1811-D1843 IonicContact NH1-OD1 3.06Å; R1811-D1843 IonicContact NH2-OD1 3.18Å; R1811-D1843 PolarHBondContact NH2-OD1 3.03Å; R1811-A1878 PolarHBondContact NH2-O 3.16Å; R1811-D1879 VanDerWaalsContact NH2-CA 3.34Å; R1811-D1879 PolarHBondContact NH2-O 3.09Å; R1811-S1880 VanDerWaalsContact CZ-OG 3.26Å; R1811-S1880 PolarHBondContact NH1-OG 2.83Å; R1811-S1880 VanDerWaalsContact NH1-OG 3.14Å; R1811-S1880 VanDerWaalsContact NH2-N 3.17Å; R1811-S1880 PolarHBondContact NH2-OG 3.02Å
1812E84Confident86.2Confident73.6 Ų73.658.7 Ų58.734%0.34429%0.29SS..THydrogen-bonded Turntrans-65-28.4174.1-73.945.4-10600110.7D1810 N1847 A1878 D1879D1810-E1812 VanDerWaalsContact C-N 3.29Å; D1810-E1812 PolarHBondContact O-N 3.19Å; D1810-E1812 WeakPolarHBondContact OD1-CA 3.33Å; D1810-E1812 WeakPolarHBondContact OD1-CB 3.25Å; D1810-E1812 PolarHBondContact OD1-N 3.08Å; E1812-N1847 VanDerWaalsContact CG-ND2 3.33Å; E1812-N1847 WeakPolarHBondContact CG-ND2 3.25Å; E1812-N1847 PolarHBondContact OE2-ND2 3.39Å; E1812-N1847 VanDerWaalsContact OE2-ND2 3.15Å; E1812-A1878 HydrophobicContact CG-CB 4.09Å; E1812-D1879 WeakPolarHBondContact OE1-CA 3.14Å
1813T82Confident86.2Confident92 Ų9253.4 Ų53.456%0.56427%0.271SS*.THydrogen-bonded Turntrans-85.7-56.2175-67.20000113L1789 D1810 R1811L1789-T1813 HydrophobicContact CD1-CG2 3.81Å; D1810-T1813 VanDerWaalsContact CG-CB 3.45Å; D1810-T1813 VanDerWaalsContact CG-OG1 3.24Å; D1810-T1813 PolarHBondContact O-N 3.18Å; D1810-T1813 VanDerWaalsContact O-N 3.16Å; D1810-T1813 WeakPolarHBondContact OD1-CB 3.21Å; D1810-T1813 PolarHBondContact OD1-N 3.09Å; D1810-T1813 PolarHBondContact OD1-OG1 2.87Å; D1810-T1813 VanDerWaalsContact OD2-CB 3.24Å; D1810-T1813 WeakPolarHBondContact OD2-CB 3.24Å; D1810-T1813 PolarHBondContact OD2-OG1 3.06Å; R1811-T1813 VanDerWaalsContact C-N 3.26Å; R1811-T1813 PolarHBondContact O-N 2.81Å
1814I84.6Confident86.4Confident45.4 Ų45.459.7 Ų59.723%0.23329%0.294CS..  trans-140.2109.8177-61.6173000111.7P1788 L1789 D1810 R1811 F1816 Y1817 V1841P1788-I1814 HydrophobicContact CG-CD1 3.87Å; L1789-I1814 HydrophobicContact CD1-CD1 4.02Å; L1789-I1814 HydrophobicContact CG-CD1 4.46Å; D1810-I1814 PolarHBondContact O-N 3.11Å; D1810-I1814 VanDerWaalsContact O-N 3.1Å; R1811-I1814 CarbonylContact O-C 3.55Å; R1811-I1814 PolarHBondContact O-N 2.77Å; I1814-F1816 VanDerWaalsContact C-N 3.27Å; I1814-F1816 PolarHBondContact O-N 3.17Å; I1814-Y1817 HydrophobicContact CB-CE1 4.22Å; I1814-Y1817 HydrophobicContact CB-CE2 4.04Å; I1814-Y1817 WeakPolarHBondContact CB-OH 3.33Å; I1814-Y1817 HydrophobicContact CD1-CE1 3.94Å; I1814-Y1817 HydrophobicContact CG2-CD1 4.19Å; I1814-Y1817 HydrophobicContact CG2-CD2 4Å; I1814-Y1817 HydrophobicContact CG2-CE1 3.9Å; I1814-Y1817 HydrophobicContact CG2-CE2 3.73Å; I1814-Y1817 HydrophobicContact CG2-CG 4.15Å; I1814-Y1817 WeakPolarHBondContact O-CE2 3.45Å; I1814-V1841 VanDerWaalsContact O-CG2 3.27Å; I1814-V1841 WeakPolarHBondContact O-CG2 3.19Å
1815A84.5Confident86.6Confident48 Ų4855.7 Ų55.740%0.39728%0.279SS..SBendtrans-81.2-15.3179.600000116.1R1811 R1840 V1841R1811-A1815 HydrophobicContact CG-CB 3.88Å; R1811-A1815 PolarHBondContact O-N 3.13Å; R1811-A1815 VanDerWaalsContact O-N 3.13Å; A1815-R1840 VanDerWaalsContact O-CA 3.32Å; A1815-R1840 WeakPolarHBondContact O-CA 3.39Å; A1815-V1841 PolarHBondContact O-N 2.91Å; A1815-V1841 VanDerWaalsContact O-N 3.11Å
1816F88.9Confident86.8Confident77.4 Ų77.453.6 Ų53.634%0.33927%0.267SS..EExtended strand (participates in β ladder)trans-157.4131.2-174.6-157.8-87.6000114.6P1751 I1814 N1818 I1839 R1840P1751-F1816 HydrophobicContact CB-CD2 4.43Å; P1751-F1816 HydrophobicContact CB-CE2 3.6Å; P1751-F1816 HydrophobicContact CB-CZ 3.71Å; P1751-F1816 HydrophobicContact CG-CE2 4.02Å; P1751-F1816 HydrophobicContact CG-CZ 3.98Å; I1814-F1816 VanDerWaalsContact C-N 3.27Å; I1814-F1816 PolarHBondContact O-N 3.17Å; F1816-N1818 WeakPolarHBondContact CE1-OD1 3.13Å; F1816-I1839 CarbonylContact C-O 3.43Å; F1816-I1839 VanDerWaalsContact CA-O 3.26Å; F1816-I1839 WeakPolarHBondContact CA-O 3.21Å; F1816-I1839 VanDerWaalsContact CD2-O 3.32Å; F1816-I1839 WeakPolarHBondContact CD2-O 3.32Å; F1816-I1839 WeakPolarHBondContact CG-O 3.44Å; F1816-R1840 HydrophobicContact CD2-CB 3.91Å; F1816-R1840 HydrophobicContact CD2-CG 4.27Å; F1816-R1840 HydrophobicContact CE2-CB 4.04Å
1817Y89.3Confident86.8Confident8.6 Ų8.648.4 Ų48.43%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-114.2149.9177.1-59.4-102.5000112.1E1791 F1792 L1809 I1814 G1838 I1839 V1841E1791-Y1817 VanDerWaalsContact OE2-CE1 3.31Å; E1791-Y1817 WeakPolarHBondContact OE2-CE1 3.3Å; E1791-Y1817 VanDerWaalsContact OE2-CZ 3.28Å; E1791-Y1817 PolarHBondContact OE2-OH 3.11Å; F1792-Y1817 HydrophobicContact CD2-CD1 4.33Å; F1792-Y1817 HydrophobicContact CD2-CE1 4.4Å; F1792-Y1817 AromaticContact CE2-CD1 3.65Å; F1792-Y1817 HydrophobicContact CE2-CD1 3.65Å; F1792-Y1817 AromaticContact CE2-CD2 3.82Å; F1792-Y1817 HydrophobicContact CE2-CD2 4.02Å; F1792-Y1817 AromaticContact CE2-CE1 3.69Å; F1792-Y1817 HydrophobicContact CE2-CE1 3.79Å; F1792-Y1817 HydrophobicContact CE2-CE2 4.14Å; F1792-Y1817 AromaticContact CE2-CG 3.76Å; F1792-Y1817 HydrophobicContact CE2-CG 3.86Å; F1792-Y1817 AromaticContact CE2-CZ 3.91Å; F1792-Y1817 HydrophobicContact CZ-CD1 4.37Å; F1792-Y1817 AromaticContact CZ-CD2 3.83Å; F1792-Y1817 HydrophobicContact CZ-CD2 4.13Å; F1792-Y1817 HydrophobicContact CZ-CE1 4.48Å; F1792-Y1817 HydrophobicContact CZ-CE2 4.22Å; F1792-Y1817 HydrophobicContact CZ-CG 4.17Å; L1809-Y1817 HydrophobicContact CD2-CE2 4.39Å; I1814-Y1817 HydrophobicContact CB-CE1 4.22Å; I1814-Y1817 HydrophobicContact CB-CE2 4.04Å; I1814-Y1817 WeakPolarHBondContact CB-OH 3.33Å; I1814-Y1817 HydrophobicContact CD1-CE1 3.94Å; I1814-Y1817 HydrophobicContact CG2-CD1 4.19Å; I1814-Y1817 HydrophobicContact CG2-CD2 4Å; I1814-Y1817 HydrophobicContact CG2-CE1 3.9Å; I1814-Y1817 HydrophobicContact CG2-CE2 3.73Å; I1814-Y1817 HydrophobicContact CG2-CG 4.15Å; I1814-Y1817 WeakPolarHBondContact O-CE2 3.45Å; Y1817-G1838 CarbonylContact O-C 3.54Å; Y1817-G1838 VanDerWaalsContact O-CA 3.24Å; Y1817-G1838 WeakPolarHBondContact O-CA 3.4Å; Y1817-I1839 HydrophobicContact CD2-CB 4.46Å; Y1817-I1839 PolarHBondContact N-O 3.07Å; Y1817-I1839 PolarHBondContact O-N 2.96Å; Y1817-V1841 HydrophobicContact CD2-CG2 4.18Å; Y1817-V1841 HydrophobicContact CE2-CG2 3.74Å
1818N89.2Confident86.6Confident83.2 Ų83.253.7 Ų53.745%0.44527%0.272SS..EExtended strand (participates in β ladder)trans-127.490.3172.9-77.2-57.3000110.5G1786 F1816 T1820 L1836 V1837G1786-N1818 CarbonylContact C-O 3.5Å; G1786-N1818 WeakPolarHBondContact CA-O 3.41Å; F1816-N1818 WeakPolarHBondContact CE1-OD1 3.13Å; N1818-T1820 PolarHBondContact O-N 2.97Å; N1818-L1836 HydrophobicContact CB-CD2 3.81Å; N1818-V1837 CarbonylContact C-O 3.48Å; N1818-V1837 WeakPolarHBondContact CA-O 3.34Å
1819L91Very high86.5Confident1 Ų152.5 Ų52.51%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-83.7146.8-177.9-54.6-179.7000111.9V1783 D1785 G1786 D1787 F1792 L1801 L1836 V1837 I1839V1783-L1819 HydrophobicContact CG1-CD2 4.19Å; D1785-L1819 CarbonylContact O-C 3.46Å; D1785-L1819 VanDerWaalsContact O-CA 3.29Å; D1785-L1819 WeakPolarHBondContact O-CA 3.45Å; G1786-L1819 VanDerWaalsContact C-CD2 3.49Å; G1786-L1819 WeakPolarHBondContact O-CD2 3.3Å; D1787-L1819 HydrophobicContact CB-CD2 3.76Å; D1787-L1819 VanDerWaalsContact CB-CD2 3.49Å; F1792-L1819 HydrophobicContact CB-CD1 4.11Å; F1792-L1819 HydrophobicContact CB-CD2 4.43Å; F1792-L1819 HydrophobicContact CD1-CD1 4.11Å; F1792-L1819 HydrophobicContact CD2-CD1 4.14Å; F1792-L1819 HydrophobicContact CD2-CD2 4.13Å; F1792-L1819 HydrophobicContact CE1-CD1 4.48Å; F1792-L1819 HydrophobicContact CE2-CD2 4.41Å; F1792-L1819 HydrophobicContact CG-CD1 3.88Å; F1792-L1819 HydrophobicContact CG-CD2 4.44Å; L1801-L1819 HydrophobicContact CD1-CD1 4.13Å; L1801-L1819 HydrophobicContact CD2-CD1 3.74Å; L1801-L1819 VanDerWaalsContact CD2-CD1 3.45Å; L1801-L1819 HydrophobicContact CG-CD1 4.38Å; L1819-L1836 CarbonylContact O-C 3.45Å; L1819-L1836 WeakPolarHBondContact O-CA 3.3Å; L1819-L1836 WeakPolarHBondContact O-CG 3.45Å; L1819-V1837 HydrophobicContact CB-CB 4.24Å; L1819-V1837 HydrophobicContact CB-CG1 4.42Å; L1819-V1837 PolarHBondContact N-O 2.91Å; L1819-V1837 PolarHBondContact O-N 3.13Å; L1819-I1839 HydrophobicContact CD1-CD1 3.72Å; L1819-I1839 HydrophobicContact CD1-CG1 4.37Å; L1819-I1839 HydrophobicContact CG-CD1 4.17Å
1820T90.6Very high86.5Confident29.4 Ų29.454.7 Ų54.718%0.1829%0.29CS..EExtended strand (participates in β ladder)trans-112.6123.1171.3-53.90000110.5V1783 V1784 D1785 N1818 T1834 M1835 L1836V1783-T1820 CarbonylContact C-O 3.46Å; V1783-T1820 WeakPolarHBondContact CA-O 3.42Å; V1784-T1820 HydrophobicContact CG2-CG2 3.75Å; V1784-T1820 VanDerWaalsContact CG2-O 3.29Å; V1784-T1820 WeakPolarHBondContact CG2-O 3.36Å; V1784-T1820 PolarHBondContact N-O 2.98Å; D1785-T1820 PolarHBondContact O-N 3.02Å; N1818-T1820 PolarHBondContact O-N 2.97Å; T1820-T1834 HydrophobicContact CG2-CG2 4.02Å; T1820-M1835 CarbonylContact C-O 3.57Å; T1820-M1835 WeakPolarHBondContact CA-O 3.35Å; T1820-M1835 VanDerWaalsContact CG2-O 3.28Å; T1820-M1835 WeakPolarHBondContact CG2-O 3.4Å; T1820-L1836 VanDerWaalsContact OG1-CD2 3.29Å; T1820-L1836 WeakPolarHBondContact OG1-CD2 3.45Å
1821I91.7Very high86.6Confident0.2 Ų0.254.6 Ų54.60%0.00129%0.289CS..EExtended strand (participates in β ladder)trans-112.4138.2-176.2-57-175.1000110.9F1744 F1766 S1782 V1783 I1794 L1801 T1834 M1835 V1837F1744-I1821 HydrophobicContact CE1-CG2 4.33Å; F1744-I1821 HydrophobicContact CZ-CB 4.48Å; F1744-I1821 HydrophobicContact CZ-CG2 4.11Å; F1766-I1821 HydrophobicContact CB-CD1 4.49Å; F1766-I1821 HydrophobicContact CD1-CD1 4.29Å; F1766-I1821 HydrophobicContact CD2-CD1 3.39Å; F1766-I1821 VanDerWaalsContact CD2-CD1 3.45Å; F1766-I1821 HydrophobicContact CE1-CD1 4.31Å; F1766-I1821 HydrophobicContact CE2-CD1 3.25Å; F1766-I1821 VanDerWaalsContact CE2-CD1 3.45Å; F1766-I1821 HydrophobicContact CG-CD1 3.88Å; F1766-I1821 HydrophobicContact CZ-CD1 3.84Å; S1782-I1821 CarbonylContact O-C 3.54Å; S1782-I1821 VanDerWaalsContact O-CA 3.24Å; S1782-I1821 WeakPolarHBondContact O-CA 3.33Å; S1782-I1821 WeakPolarHBondContact O-CG2 3.05Å; V1783-I1821 HydrophobicContact CG2-CD1 4.34Å; V1783-I1821 HydrophobicContact CG2-CG1 4.16Å; I1794-I1821 HydrophobicContact CD1-CD1 3.95Å; I1794-I1821 HydrophobicContact CD1-CG1 4.45Å; I1794-I1821 HydrophobicContact CD1-CG2 3.96Å; L1801-I1821 HydrophobicContact CD1-CD1 4.45Å; L1801-I1821 HydrophobicContact CD2-CD1 4.35Å; I1821-T1834 CarbonylContact O-C 3.5Å; I1821-T1834 VanDerWaalsContact O-CA 3.26Å; I1821-T1834 WeakPolarHBondContact O-CA 3.4Å; I1821-M1835 PolarHBondContact N-O 3.02Å; I1821-M1835 PolarHBondContact O-N 3.14Å; I1821-V1837 HydrophobicContact CD1-CB 4.3Å; I1821-V1837 HydrophobicContact CD1-CG2 3.71Å; I1821-V1837 HydrophobicContact CG1-CB 4.42Å; I1821-V1837 HydrophobicContact CG1-CG2 4.18Å
1822C91.5Very high86.8Confident22 Ų2255.7 Ų55.715%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-113.9137.7177.8-1780000112.1F1744 Y1781 S1782 V1784 S1832 S1833 T1834F1744-C1822 VanDerWaalsContact CE2-C 3.49Å; F1744-C1822 VanDerWaalsContact CZ-C 3.44Å; Y1781-C1822 CarbonylContact C-O 3.49Å; Y1781-C1822 WeakPolarHBondContact CA-O 3.31Å; S1782-C1822 PolarHBondContact N-O 3.06Å; S1782-C1822 PolarHBondContact O-N 2.92Å; S1782-C1822 VanDerWaalsContact O-N 3.13Å; V1784-C1822 HydrophobicContact CB-CB 4.42Å; V1784-C1822 HydrophobicContact CG1-CB 3.57Å; V1784-C1822 HydrophobicContact CG2-CB 4.07Å; C1822-S1832 VanDerWaalsContact SG-CB 3.59Å; C1822-S1833 CarbonylContact C-O 3.49Å; C1822-S1833 VanDerWaalsContact CA-O 3.32Å; C1822-S1833 WeakPolarHBondContact CA-O 3.33Å; C1822-T1834 HydrophobicContact CB-CG2 4.1Å
1823A91Very high87Confident0.6 Ų0.653.6 Ų53.61%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-116.6132.8168.500000110.9P1742 F1744 A1768 V1779 E1780 Y1781 S1832 S1833P1742-A1823 HydrophobicContact CB-CB 4.03Å; F1744-A1823 HydrophobicContact CD2-CB 4.3Å; F1744-A1823 HydrophobicContact CE1-CB 4.17Å; F1744-A1823 HydrophobicContact CE2-CB 3.44Å; F1744-A1823 VanDerWaalsContact CE2-CB 3.46Å; F1744-A1823 HydrophobicContact CZ-CB 3.37Å; A1768-A1823 HydrophobicContact CB-CB 3.57Å; A1768-A1823 VanDerWaalsContact CB-CB 3.43Å; V1779-A1823 HydrophobicContact CG1-CB 3.68Å; E1780-A1823 CarbonylContact O-C 3.39Å; E1780-A1823 VanDerWaalsContact O-CA 3.27Å; E1780-A1823 WeakPolarHBondContact O-CA 3.24Å; Y1781-A1823 HydrophobicContact CD1-CB 4.3Å; Y1781-A1823 HydrophobicContact CE1-CB 4.18Å; A1823-S1832 CarbonylContact O-C 3.52Å; A1823-S1832 WeakPolarHBondContact O-CA 3.45Å; A1823-S1832 VanDerWaalsContact O-CB 3.23Å; A1823-S1832 WeakPolarHBondContact O-CB 3.39Å; A1823-S1833 PolarHBondContact N-O 3.03Å; A1823-S1833 PolarHBondContact O-N 3.04Å
1824R90.5Very high87.5Confident133.2 Ų133.253.5 Ų53.550%0.50330%0.296SS..EExtended strand (participates in β ladder)trans-140.3137-175.9-177.8-171.2-175.8177.71.9111.8V1779 E1780 P1830 L1831V1779-R1824 CarbonylContact C-O 3.56Å; V1779-R1824 VanDerWaalsContact CA-O 3.28Å; V1779-R1824 WeakPolarHBondContact CA-O 3.21Å; E1780-R1824 PolarHBondContact N-O 3.06Å; E1780-R1824 PolarHBondContact O-N 2.99Å; R1824-P1830 HydrophobicContact CG-CB 4.16Å; R1824-P1830 VanDerWaalsContact NE-CG 3.26Å; R1824-P1830 VanDerWaalsContact NH2-CG 3.26Å; R1824-L1831 CarbonylContact C-O 3.47Å; R1824-L1831 WeakPolarHBondContact CA-O 3.43Å; R1824-L1831 VanDerWaalsContact CG-O 3.25Å; R1824-L1831 WeakPolarHBondContact CG-O 3.41Å
1825D89.9Confident87.8Confident4.8 Ų4.851.5 Ų51.53%0.02629%0.286CS..  trans-80.7-179.1175.762.662.6000114.4N1738 P1742 D1770 N1776 Q1778 G1827 P1830 L1831N1738-D1825 VanDerWaalsContact ND2-CG 3.27Å; N1738-D1825 PolarHBondContact ND2-OD1 3.18Å; N1738-D1825 PolarHBondContact ND2-OD2 2.94Å; N1738-D1825 PolarHBondContact OD1-OD1 3.25Å; N1738-D1825 PolarHBondContact OD1-OD2 2.61Å; P1742-D1825 HydrophobicContact CB-CB 4.5Å; P1742-D1825 WeakPolarHBondContact CD-OD2 3.26Å; P1742-D1825 HydrophobicContact CG-CB 3.79Å; P1742-D1825 VanDerWaalsContact CG-CB 3.46Å; P1742-D1825 WeakPolarHBondContact CG-OD2 3.15Å; D1770-D1825 VanDerWaalsContact OD2-CB 3.26Å; D1770-D1825 WeakPolarHBondContact OD2-CB 3.39Å; N1776-D1825 WeakPolarHBondContact O-CB 3.26Å; Q1778-D1825 CarbonylContact O-C 3.54Å; Q1778-D1825 VanDerWaalsContact O-CA 3.28Å; Q1778-D1825 WeakPolarHBondContact O-CA 3.36Å; D1825-G1827 VanDerWaalsContact C-N 3.32Å; D1825-G1827 VanDerWaalsContact OD1-CA 3.29Å; D1825-G1827 WeakPolarHBondContact OD1-CA 3.43Å; D1825-G1827 PolarHBondContact OD1-N 3.13Å; D1825-G1827 VanDerWaalsContact OD1-N 3.08Å; D1825-P1830 WeakPolarHBondContact O-CB 3.34Å; D1825-P1830 WeakPolarHBondContact OD1-CA 3.38Å; D1825-P1830 WeakPolarHBondContact OD1-CB 3.22Å; D1825-L1831 VanDerWaalsContact CG-N 3.31Å; D1825-L1831 PolarHBondContact N-O 3.09Å; D1825-L1831 VanDerWaalsContact N-O 3.08Å; D1825-L1831 PolarHBondContact OD1-N 2.86Å; D1825-L1831 VanDerWaalsContact OD1-N 3.12Å; D1825-L1831 VanDerWaalsContact OD2-CA 3.23Å; D1825-L1831 WeakPolarHBondContact OD2-CA 3.29Å; D1825-L1831 VanDerWaalsContact OD2-CB 3.23Å; D1825-L1831 WeakPolarHBondContact OD2-CB 3.34Å; D1825-L1831 PolarHBondContact OD2-N 3.09Å; D1825-L1831 VanDerWaalsContact OD2-O 3.11Å
1826R84.4Confident88.1Confident123.2 Ų123.253 Ų5347%0.46529%0.287SS..SBendtrans-111.518.5174.4-67.2178.6167.2175.4-4.1113.9P1775 Q1778 E1780P1775-R1826 HydrophobicContact CB-CB 4Å; P1775-R1826 CarbonylContact O-C 3.44Å; P1775-R1826 VanDerWaalsContact O-C 3.3Å; P1775-R1826 WeakPolarHBondContact O-CA 3.44Å; P1775-R1826 WeakPolarHBondContact O-CB 3.35Å; P1775-R1826 PolarHBondContact O-N 3.22Å; Q1778-R1826 HydrophobicContact CB-CB 4.37Å; Q1778-R1826 HydrophobicContact CB-CG 4.37Å; Q1778-R1826 PolarHBondContact O-N 2.96Å; Q1778-R1826 VanDerWaalsContact O-N 3.14Å; E1780-R1826 HydrophobicContact CG-CG 4.26Å; E1780-R1826 IonicContact OE1-CZ 3.38Å; E1780-R1826 VanDerWaalsContact OE1-CZ 3.23Å; E1780-R1826 IonicContact OE1-NE 3.84Å; E1780-R1826 PolarHBondContact OE1-NE 3.11Å; E1780-R1826 IonicContact OE1-NH2 3.01Å; E1780-R1826 PolarHBondContact OE1-NH2 3.16Å
1827G80.3Confident88.1Confident4.6 Ų4.649.3 Ų49.35%0.04727%0.271CS..  trans-67.2172.4176.500000114N1738 P1775 N1776 D1825 P1829 P1830N1738-G1827 WeakPolarHBondContact OD1-CA 3.44Å; P1775-G1827 PolarHBondContact O-N 3.16Å; N1776-G1827 WeakPolarHBondContact OD1-CA 3.12Å; D1825-G1827 VanDerWaalsContact C-N 3.32Å; D1825-G1827 VanDerWaalsContact OD1-CA 3.29Å; D1825-G1827 WeakPolarHBondContact OD1-CA 3.43Å; D1825-G1827 PolarHBondContact OD1-N 3.13Å; D1825-G1827 VanDerWaalsContact OD1-N 3.08Å; G1827-P1829 VanDerWaalsContact C-C 3.43Å; G1827-P1829 CarbonylContact C-O 3.56Å; G1827-P1829 CarbonylContact O-C 3.51Å; G1827-P1829 WeakPolarHBondContact O-CA 3.49Å; G1827-P1830 VanDerWaalsContact O-CA 3.28Å; G1827-P1830 WeakPolarHBondContact O-CA 3.38Å; G1827-P1830 VanDerWaalsContact O-CB 3.23Å; G1827-P1830 WeakPolarHBondContact O-CB 3.37Å; G1827-P1830 VanDerWaalsContact O-CD 3.29Å; G1827-P1830 WeakPolarHBondContact O-CD 3.27Å; G1827-P1830 VanDerWaalsContact O-N 3.15Å
1828V75.4Confident88.2Confident137.4 Ų137.448.9 Ų48.983%0.83327%0.269SS*.SBendtrans-131.897.5177.3-174.50000109.7
1829P79.3Confident88.2Confident99.4 Ų99.444.9 Ų44.965%0.64525%0.248SC*.SBendcis-78.1149.72.533.3-35.2000113.2G1827 L1831G1827-P1829 VanDerWaalsContact C-C 3.43Å; G1827-P1829 CarbonylContact C-O 3.56Å; G1827-P1829 CarbonylContact O-C 3.51Å; G1827-P1829 WeakPolarHBondContact O-CA 3.49Å; P1829-L1831 PolarHBondContact O-N 3.42Å
1830P85.8Confident88.1Confident52.8 Ų52.850 Ų5034%0.34327%0.267SS..  trans-85.1144.5-177.531-32.8000113.6R1824 D1825 G1827R1824-P1830 HydrophobicContact CG-CB 4.16Å; R1824-P1830 VanDerWaalsContact NE-CG 3.26Å; R1824-P1830 VanDerWaalsContact NH2-CG 3.26Å; D1825-P1830 WeakPolarHBondContact O-CB 3.34Å; D1825-P1830 WeakPolarHBondContact OD1-CA 3.38Å; D1825-P1830 WeakPolarHBondContact OD1-CB 3.22Å; G1827-P1830 VanDerWaalsContact O-CA 3.28Å; G1827-P1830 WeakPolarHBondContact O-CA 3.38Å; G1827-P1830 VanDerWaalsContact O-CB 3.23Å; G1827-P1830 WeakPolarHBondContact O-CB 3.37Å; G1827-P1830 VanDerWaalsContact O-CD 3.29Å; G1827-P1830 WeakPolarHBondContact O-CD 3.27Å; G1827-P1830 VanDerWaalsContact O-N 3.15Å
1831L87.6Confident88Confident62.8 Ų62.848.9 Ų48.933%0.32926%0.26SS..  trans-108168.5179.4-52.5171.5000111.6N1738 N1740 V1741 P1742 R1824 D1825 P1829N1738-L1831 VanDerWaalsContact ND2-CB 3.35Å; N1738-L1831 WeakPolarHBondContact ND2-CB 3.35Å; N1738-L1831 WeakPolarHBondContact ND2-CD1 3.16Å; N1738-L1831 WeakPolarHBondContact ND2-CG 3.35Å; N1738-L1831 PolarHBondContact ND2-N 2.92Å; N1738-L1831 WeakPolarHBondContact O-CD1 3.3Å; N1740-L1831 WeakPolarHBondContact O-CD1 3.31Å; V1741-L1831 HydrophobicContact CB-CB 4.17Å; V1741-L1831 HydrophobicContact CB-CD1 3.91Å; V1741-L1831 HydrophobicContact CB-CG 4.49Å; V1741-L1831 HydrophobicContact CG2-CB 3.9Å; V1741-L1831 HydrophobicContact CG2-CD1 4.21Å; V1741-L1831 HydrophobicContact CG2-CG 4.43Å; P1742-L1831 WeakPolarHBondContact CG-O 3.48Å; R1824-L1831 CarbonylContact C-O 3.47Å; R1824-L1831 WeakPolarHBondContact CA-O 3.43Å; R1824-L1831 VanDerWaalsContact CG-O 3.25Å; R1824-L1831 WeakPolarHBondContact CG-O 3.41Å; D1825-L1831 VanDerWaalsContact CG-N 3.31Å; D1825-L1831 PolarHBondContact N-O 3.09Å; D1825-L1831 VanDerWaalsContact N-O 3.08Å; D1825-L1831 PolarHBondContact OD1-N 2.86Å; D1825-L1831 VanDerWaalsContact OD1-N 3.12Å; D1825-L1831 VanDerWaalsContact OD2-CA 3.23Å; D1825-L1831 WeakPolarHBondContact OD2-CA 3.29Å; D1825-L1831 VanDerWaalsContact OD2-CB 3.23Å; D1825-L1831 WeakPolarHBondContact OD2-CB 3.34Å; D1825-L1831 PolarHBondContact OD2-N 3.09Å; D1825-L1831 VanDerWaalsContact OD2-O 3.11Å; P1829-L1831 PolarHBondContact O-N 3.42Å
1832S90.5Very high87.7Confident69.8 Ų69.852.1 Ų52.149%0.48828%0.277SS..EExtended strand (participates in β ladder)trans-162.7152.6-176.857.40000115.2V1741 C1822 A1823V1741-S1832 WeakPolarHBondContact CG2-O 3.25Å; C1822-S1832 VanDerWaalsContact SG-CB 3.59Å; A1823-S1832 CarbonylContact O-C 3.52Å; A1823-S1832 WeakPolarHBondContact O-CA 3.45Å; A1823-S1832 VanDerWaalsContact O-CB 3.23Å; A1823-S1832 WeakPolarHBondContact O-CB 3.39Å
1833S90.2Very high87.4Confident28.8 Ų28.853 Ų5320%0.20128%0.28CS..EExtended strand (participates in β ladder)trans-131.8166.3170710000114.1P1742 F1744 C1822 A1823P1742-S1833 VanDerWaalsContact O-CB 3.32Å; P1742-S1833 WeakPolarHBondContact O-CB 3.41Å; P1742-S1833 PolarHBondContact O-OG 3.04Å; F1744-S1833 VanDerWaalsContact CD2-OG 3.24Å; F1744-S1833 WeakPolarHBondContact CD2-OG 3.32Å; C1822-S1833 CarbonylContact C-O 3.49Å; C1822-S1833 VanDerWaalsContact CA-O 3.32Å; C1822-S1833 WeakPolarHBondContact CA-O 3.33Å; A1823-S1833 PolarHBondContact N-O 3.03Å; A1823-S1833 PolarHBondContact O-N 3.04Å
1834T91.4Very high87Confident90.4 Ų90.456.3 Ų56.356%0.55530%0.297SS*.EExtended strand (participates in β ladder)trans-132.4149.2179.854.60000113.6V1784 T1820 I1821 C1822V1784-T1834 HydrophobicContact CG2-CG2 4.36Å; T1820-T1834 HydrophobicContact CG2-CG2 4.02Å; I1821-T1834 CarbonylContact O-C 3.5Å; I1821-T1834 VanDerWaalsContact O-CA 3.26Å; I1821-T1834 WeakPolarHBondContact O-CA 3.4Å; C1822-T1834 HydrophobicContact CB-CG2 4.1Å
1835M90.3Very high86.8Confident4.8 Ų4.850.9 Ų50.92%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-136.1146.5178.1174.8173.66600112.4F1744 R1746 D1747 E1749 F1766 T1820 I1821 V1837F1744-M1835 HydrophobicContact CB-CB 4.25Å; F1744-M1835 HydrophobicContact CB-CE 4.42Å; F1744-M1835 HydrophobicContact CB-CG 4.48Å; F1744-M1835 HydrophobicContact CB-SD 4.01Å; F1744-M1835 HydrophobicContact CD1-CB 4.35Å; F1744-M1835 HydrophobicContact CD1-CE 3.67Å; F1744-M1835 HydrophobicContact CD1-SD 4.13Å; F1744-M1835 HydrophobicContact CD2-CB 3.81Å; F1744-M1835 VanDerWaalsContact CD2-CB 3.47Å; F1744-M1835 HydrophobicContact CE1-CE 3.87Å; F1744-M1835 HydrophobicContact CE2-CB 3.92Å; F1744-M1835 HydrophobicContact CG-CB 3.96Å; F1744-M1835 HydrophobicContact CG-CE 4.07Å; F1744-M1835 HydrophobicContact CG-CG 4.39Å; F1744-M1835 HydrophobicContact CG-SD 4.03Å; F1744-M1835 HydrophobicContact CZ-CB 4.36Å; F1744-M1835 HydrophobicContact CZ-CE 4.39Å; R1746-M1835 WeakPolarHBondContact O-CG 3.34Å; R1746-M1835 VanDerWaalsContact O-SD 3.38Å; D1747-M1835 WeakPolarHBondContact O-CA 3.45Å; E1749-M1835 HydrophobicContact CB-CE 4.41Å; E1749-M1835 HydrophobicContact CB-SD 3.96Å; E1749-M1835 HydrophobicContact CG-SD 4.04Å; F1766-M1835 HydrophobicContact CB-CE 4Å; F1766-M1835 HydrophobicContact CD1-CE 3.26Å; F1766-M1835 HydrophobicContact CE1-CE 3.76Å; F1766-M1835 HydrophobicContact CG-CE 3.93Å; T1820-M1835 CarbonylContact C-O 3.57Å; T1820-M1835 WeakPolarHBondContact CA-O 3.35Å; T1820-M1835 VanDerWaalsContact CG2-O 3.28Å; T1820-M1835 WeakPolarHBondContact CG2-O 3.4Å; I1821-M1835 PolarHBondContact N-O 3.02Å; I1821-M1835 PolarHBondContact O-N 3.14Å; M1835-V1837 HydrophobicContact CE-CG2 4.16Å; M1835-V1837 HydrophobicContact CG-CG2 4.43Å
1836L90.6Very high86.4Confident78.2 Ų78.254.5 Ų54.541%0.40930%0.298SS..EExtended strand (participates in β ladder)trans-94.4140.9174.3-98.9161.8000112D1747 Y1748 E1749 N1818 L1819 T1820D1747-L1836 PolarHBondContact O-N 2.95Å; Y1748-L1836 CarbonylContact C-O 3.43Å; Y1748-L1836 VanDerWaalsContact CA-O 3.26Å; Y1748-L1836 WeakPolarHBondContact CA-O 3.34Å; Y1748-L1836 HydrophobicContact CD2-CB 3.9Å; Y1748-L1836 HydrophobicContact CD2-CD2 3.59Å; Y1748-L1836 HydrophobicContact CD2-CG 4.41Å; Y1748-L1836 VanDerWaalsContact CD2-O 3.28Å; Y1748-L1836 WeakPolarHBondContact CD2-O 3.4Å; Y1748-L1836 HydrophobicContact CE2-CB 4.38Å; Y1748-L1836 HydrophobicContact CE2-CD2 3.71Å; E1749-L1836 PolarHBondContact N-O 2.92Å; E1749-L1836 VanDerWaalsContact N-O 3.15Å; N1818-L1836 HydrophobicContact CB-CD2 3.81Å; L1819-L1836 CarbonylContact O-C 3.45Å; L1819-L1836 WeakPolarHBondContact O-CA 3.3Å; L1819-L1836 WeakPolarHBondContact O-CG 3.45Å; T1820-L1836 VanDerWaalsContact OG1-CD2 3.29Å; T1820-L1836 WeakPolarHBondContact OG1-CD2 3.45Å
1837V90.3Very high86.3Confident0 Ų051.2 Ų51.20%029%0.289CS..EExtended strand (participates in β ladder)trans-129.4122.3-176.7173.80000111.2E1749 F1752 F1766 L1801 N1818 L1819 I1821 M1835 I1839E1749-V1837 CarbonylContact O-C 3.57Å; E1749-V1837 VanDerWaalsContact O-C 3.26Å; E1749-V1837 WeakPolarHBondContact O-CA 3.4Å; F1752-V1837 HydrophobicContact CD2-CG1 3.99Å; F1752-V1837 HydrophobicContact CE2-CG1 3.94Å; F1766-V1837 HydrophobicContact CD1-CG2 4.36Å; F1766-V1837 HydrophobicContact CE1-CG1 4.36Å; F1766-V1837 HydrophobicContact CE1-CG2 3.68Å; F1766-V1837 VanDerWaalsContact CE1-CG2 3.45Å; F1766-V1837 HydrophobicContact CE2-CG1 4.23Å; F1766-V1837 HydrophobicContact CE2-CG2 4.24Å; F1766-V1837 HydrophobicContact CZ-CB 4.27Å; F1766-V1837 HydrophobicContact CZ-CG1 3.81Å; F1766-V1837 HydrophobicContact CZ-CG2 3.53Å; F1766-V1837 VanDerWaalsContact CZ-CG2 3.48Å; L1801-V1837 HydrophobicContact CD2-CG1 4.21Å; N1818-V1837 CarbonylContact C-O 3.48Å; N1818-V1837 WeakPolarHBondContact CA-O 3.34Å; L1819-V1837 HydrophobicContact CB-CB 4.24Å; L1819-V1837 HydrophobicContact CB-CG1 4.42Å; L1819-V1837 PolarHBondContact N-O 2.91Å; L1819-V1837 PolarHBondContact O-N 3.13Å; I1821-V1837 HydrophobicContact CD1-CB 4.3Å; I1821-V1837 HydrophobicContact CD1-CG2 3.71Å; I1821-V1837 HydrophobicContact CG1-CB 4.42Å; I1821-V1837 HydrophobicContact CG1-CG2 4.18Å; M1835-V1837 HydrophobicContact CE-CG2 4.16Å; M1835-V1837 HydrophobicContact CG-CG2 4.43Å; V1837-I1839 HydrophobicContact CG1-CG1 4.2Å
1838G90.2Very high86.4Confident0 Ų055 Ų550%031%0.308CS..EExtended strand (participates in β ladder)trans-91.8142.9171.100000112.6E1749 P1751 F1752 Y1817E1749-G1838 PolarHBondContact O-N 2.88Å; P1751-G1838 CarbonylContact C-O 3.51Å; P1751-G1838 VanDerWaalsContact CA-O 3.27Å; P1751-G1838 WeakPolarHBondContact CA-O 3.34Å; F1752-G1838 VanDerWaalsContact CD2-O 3.26Å; F1752-G1838 WeakPolarHBondContact CD2-O 3.36Å; F1752-G1838 PolarHBondContact N-O 3.16Å; Y1817-G1838 CarbonylContact O-C 3.54Å; Y1817-G1838 VanDerWaalsContact O-CA 3.24Å; Y1817-G1838 WeakPolarHBondContact O-CA 3.4Å
1839I90.2Very high87Confident0.2 Ų0.248.5 Ų48.50%0.00127%0.269CS..EExtended strand (participates in β ladder)trans-134.2131.2172.9-51.8178000109.2F1752 V1754 V1763 F1792 L1801 F1816 Y1817 L1819 V1837F1752-I1839 CarbonylContact O-C 3.47Å; F1752-I1839 VanDerWaalsContact O-CA 3.27Å; F1752-I1839 WeakPolarHBondContact O-CA 3.24Å; F1752-I1839 VanDerWaalsContact O-CG2 3.26Å; F1752-I1839 WeakPolarHBondContact O-CG2 3.4Å; V1754-I1839 HydrophobicContact CB-CG2 4.21Å; V1754-I1839 HydrophobicContact CG2-CG2 3.74Å; V1763-I1839 HydrophobicContact CB-CD1 4.35Å; V1763-I1839 HydrophobicContact CG1-CD1 3.82Å; V1763-I1839 HydrophobicContact CG1-CG1 4.09Å; V1763-I1839 HydrophobicContact CG1-CG2 4.29Å; V1763-I1839 HydrophobicContact CG2-CD1 4.1Å; F1792-I1839 HydrophobicContact CD1-CD1 3.89Å; F1792-I1839 HydrophobicContact CD2-CD1 4.49Å; F1792-I1839 HydrophobicContact CE1-CD1 3.33Å; F1792-I1839 VanDerWaalsContact CE1-CD1 3.45Å; F1792-I1839 HydrophobicContact CE1-CG2 4.4Å; F1792-I1839 HydrophobicContact CE2-CD1 4.19Å; F1792-I1839 HydrophobicContact CG-CD1 4.28Å; F1792-I1839 HydrophobicContact CZ-CD1 3.64Å; F1792-I1839 VanDerWaalsContact CZ-CD1 3.46Å; F1792-I1839 HydrophobicContact CZ-CG2 4.39Å; L1801-I1839 HydrophobicContact CD2-CD1 3.99Å; F1816-I1839 CarbonylContact C-O 3.43Å; F1816-I1839 VanDerWaalsContact CA-O 3.26Å; F1816-I1839 WeakPolarHBondContact CA-O 3.21Å; F1816-I1839 VanDerWaalsContact CD2-O 3.32Å; F1816-I1839 WeakPolarHBondContact CD2-O 3.32Å; F1816-I1839 WeakPolarHBondContact CG-O 3.44Å; Y1817-I1839 HydrophobicContact CD2-CB 4.46Å; Y1817-I1839 PolarHBondContact N-O 3.07Å; Y1817-I1839 PolarHBondContact O-N 2.96Å; L1819-I1839 HydrophobicContact CD1-CD1 3.72Å; L1819-I1839 HydrophobicContact CD1-CG1 4.37Å; L1819-I1839 HydrophobicContact CG-CD1 4.17Å; V1837-I1839 HydrophobicContact CG1-CG1 4.2Å
1840R88.8Confident87.2Confident107.8 Ų107.847.4 Ų47.441%0.40726%0.26SS..EExtended strand (participates in β ladder)trans-109.2133.1174.9-178.3-169.7-48.5-78.5-4.3109.5P1751 F1752 D1753 V1754 A1815 F1816 L1842P1751-R1840 HydrophobicContact CB-CB 4.14Å; F1752-R1840 PolarHBondContact O-N 2.84Å; F1752-R1840 VanDerWaalsContact O-O 3.09Å; D1753-R1840 CarbonylContact C-O 3.39Å; D1753-R1840 VanDerWaalsContact CA-O 3.28Å; D1753-R1840 WeakPolarHBondContact CA-O 3.38Å; D1753-R1840 WeakPolarHBondContact OD1-CB 3.25Å; D1753-R1840 VanDerWaalsContact OD1-CD 3.29Å; D1753-R1840 WeakPolarHBondContact OD1-CD 3.3Å; D1753-R1840 IonicContact OD1-NE 3.49Å; D1753-R1840 PolarHBondContact OD1-NE 3.02Å; D1753-R1840 VanDerWaalsContact OD1-NE 3.1Å; V1754-R1840 PolarHBondContact N-O 3.03Å; A1815-R1840 VanDerWaalsContact O-CA 3.32Å; A1815-R1840 WeakPolarHBondContact O-CA 3.39Å; F1816-R1840 HydrophobicContact CD2-CB 3.91Å; F1816-R1840 HydrophobicContact CD2-CG 4.27Å; F1816-R1840 HydrophobicContact CE2-CB 4.04Å; R1840-L1842 HydrophobicContact CG-CD2 4.33Å; R1840-L1842 PolarHBondContact O-N 2.91Å
1841V88Confident87.3Confident6 Ų645.8 Ų45.84%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-87.3132.6171.2-1710000109.6V1754 E1756 L1809 R1811 I1814 A1815 Y1817V1754-V1841 CarbonylContact O-C 3.48Å; V1754-V1841 VanDerWaalsContact O-CA 3.3Å; V1754-V1841 WeakPolarHBondContact O-CA 3.44Å; V1754-V1841 WeakPolarHBondContact O-CG1 3.44Å; E1756-V1841 HydrophobicContact CB-CG1 3.78Å; L1809-V1841 HydrophobicContact CB-CG1 4.31Å; L1809-V1841 HydrophobicContact CB-CG2 4.48Å; L1809-V1841 HydrophobicContact CD1-CG2 4.16Å; R1811-V1841 HydrophobicContact CB-CB 4.14Å; R1811-V1841 HydrophobicContact CB-CG1 3.78Å; R1811-V1841 HydrophobicContact CG-CB 3.97Å; R1811-V1841 HydrophobicContact CG-CG1 4.14Å; R1811-V1841 WeakPolarHBondContact CG-O 3.48Å; I1814-V1841 VanDerWaalsContact O-CG2 3.27Å; I1814-V1841 WeakPolarHBondContact O-CG2 3.19Å; A1815-V1841 PolarHBondContact O-N 2.91Å; A1815-V1841 VanDerWaalsContact O-N 3.11Å; Y1817-V1841 HydrophobicContact CD2-CG2 4.18Å; Y1817-V1841 HydrophobicContact CE2-CG2 3.74Å
1842L84.9Confident87.1Confident67.6 Ų67.647.5 Ų47.535%0.35426%0.258SS..EExtended strand (participates in β ladder)trans-98.9134.6178.6-64.5-177.1000111.5D1753 V1754 T1755 E1756 R1840 I1844D1753-L1842 HydrophobicContact CB-CD1 3.86Å; D1753-L1842 HydrophobicContact CB-CD2 4.03Å; D1753-L1842 HydrophobicContact CB-CG 3.93Å; V1754-L1842 PolarHBondContact O-N 3.04Å; T1755-L1842 HydrophobicContact CG2-CB 4.36Å; E1756-L1842 WeakPolarHBondContact CG-O 3.16Å; E1756-L1842 PolarHBondContact N-O 3.16Å; E1756-L1842 VanDerWaalsContact N-O 3.12Å; R1840-L1842 HydrophobicContact CG-CD2 4.33Å; R1840-L1842 PolarHBondContact O-N 2.91Å; L1842-I1844 PolarHBondContact O-N 2.76Å
1843D85.1Confident86.8Confident40 Ų4047.6 Ų47.621%0.21425%0.253CS..PPolyproline II helixtrans-69.2131.3-177.1-165.787.7000113.7E1756 R1811 S1880 N1883E1756-D1843 VanDerWaalsContact OE1-CA 3.27Å; E1756-D1843 WeakPolarHBondContact OE1-CA 3.23Å; R1811-D1843 VanDerWaalsContact CD-OD1 3.28Å; R1811-D1843 WeakPolarHBondContact CD-OD1 3.42Å; R1811-D1843 IonicContact CZ-OD1 3.35Å; R1811-D1843 VanDerWaalsContact CZ-OD1 3.24Å; R1811-D1843 IonicContact NE-OD1 3.28Å; R1811-D1843 PolarHBondContact NE-OD1 3.03Å; R1811-D1843 VanDerWaalsContact NE-OD1 3.12Å; R1811-D1843 IonicContact NH1-OD1 3.06Å; R1811-D1843 IonicContact NH2-OD1 3.18Å; R1811-D1843 PolarHBondContact NH2-OD1 3.03Å; D1843-S1880 VanDerWaalsContact CG-CB 3.44Å; D1843-S1880 WeakPolarHBondContact OD1-CA 3.23Å; D1843-S1880 VanDerWaalsContact OD1-CB 3.28Å; D1843-S1880 WeakPolarHBondContact OD1-CB 3.28Å; D1843-S1880 PolarHBondContact OD1-N 2.95Å; D1843-S1880 WeakPolarHBondContact OD2-CA 3.49Å; D1843-S1880 PolarHBondContact OD2-N 3.19Å; D1843-S1880 VanDerWaalsContact OD2-O 3.1Å; D1843-N1883 PolarHBondContact O-ND2 3.02Å; D1843-N1883 VanDerWaalsContact OD2-CB 3.29Å; D1843-N1883 WeakPolarHBondContact OD2-CB 3.41Å; D1843-N1883 PolarHBondContact OD2-ND2 3.12Å
1844I84.3Confident86.6Confident70.4 Ų70.447.4 Ų47.436%0.36125%0.249SC..  trans-111.5155.9167.2-52.2-175.7000109.5T1755 E1756 L1842 D1846 N1883T1755-I1844 HydrophobicContact CG2-CB 4.5Å; T1755-I1844 HydrophobicContact CG2-CD1 3.77Å; T1755-I1844 HydrophobicContact CG2-CG1 3.87Å; T1755-I1844 HydrophobicContact CG2-CG2 2.99Å; E1756-I1844 HydrophobicContact CG-CB 4.18Å; E1756-I1844 HydrophobicContact CG-CD1 3.94Å; E1756-I1844 HydrophobicContact CG-CG1 3.8Å; E1756-I1844 VanDerWaalsContact CG-CG1 3.49Å; E1756-I1844 HydrophobicContact CG-CG2 4.3Å; E1756-I1844 VanDerWaalsContact O-CD1 3.22Å; E1756-I1844 WeakPolarHBondContact O-CD1 3.25Å; E1756-I1844 WeakPolarHBondContact OE1-CA 3.37Å; E1756-I1844 WeakPolarHBondContact OE1-CB 3.43Å; E1756-I1844 PolarHBondContact OE1-N 2.93Å; L1842-I1844 PolarHBondContact O-N 2.76Å; I1844-D1846 VanDerWaalsContact C-N 3.26Å; I1844-D1846 HydrophobicContact CD1-CB 3.8Å; I1844-D1846 HydrophobicContact CG1-CB 3.62Å; I1844-D1846 HydrophobicContact CG2-CB 4.32Å; I1844-D1846 PolarHBondContact O-N 2.91Å; I1844-D1846 VanDerWaalsContact O-N 3.11Å; I1844-N1883 VanDerWaalsContact C-ND2 3.26Å; I1844-N1883 PolarHBondContact O-ND2 2.9Å
1845N84.8Confident86.1Confident19 Ų1947.1 Ų47.110%0.10225%0.249CC..SBendtrans-7971.7176.4-159.6112.1000110.9D1879 N1883 D1930 N1931 I1937 R1939N1845-D1879 VanDerWaalsContact C-OD2 3.31Å; N1845-D1879 VanDerWaalsContact CA-OD2 3.25Å; N1845-D1879 WeakPolarHBondContact CA-OD2 3.32Å; N1845-D1879 PolarHBondContact ND2-OD2 2.96Å; N1845-N1883 HydrophobicContact CB-CB 4.28Å; N1845-N1883 PolarHBondContact N-ND2 2.83Å; N1845-N1883 PolarHBondContact ND2-OD1 2.88Å; N1845-N1883 WeakPolarHBondContact OD1-CA 3.38Å; N1845-N1883 VanDerWaalsContact OD1-CB 3.23Å; N1845-N1883 WeakPolarHBondContact OD1-CB 3.29Å; N1845-N1883 PolarHBondContact OD1-O 3.44Å; N1845-N1883 PolarHBondContact OD1-OD1 3.09Å; N1845-D1930 PolarHBondContact ND2-OD1 2.89Å; N1845-D1930 PolarHBondContact ND2-OD2 3.03Å; N1845-D1930 PolarHBondContact OD1-OD1 3.08Å; N1845-D1930 PolarHBondContact OD1-OD2 3.29Å; N1845-N1931 VanDerWaalsContact OD1-CB 3.29Å; N1845-N1931 WeakPolarHBondContact OD1-CB 3.27Å; N1845-N1931 PolarHBondContact OD1-ND2 2.97Å; N1845-I1937 HydrophobicContact CB-CD1 4.44Å; N1845-I1937 PolarHBondContact ND2-O 3.1Å; N1845-I1937 PolarHBondContact OD1-O 2.82Å; N1845-R1939 WeakPolarHBondContact ND2-CD 2.83Å; N1845-R1939 VanDerWaalsContact ND2-CG 3.33Å; N1845-R1939 WeakPolarHBondContact ND2-CG 3.33Å; N1845-R1939 WeakPolarHBondContact O-CD 3.26Å; N1845-R1939 PolarHBondContact O-NE 2.79Å; N1845-R1939 PolarHBondContact O-NH1 2.92Å; N1845-R1939 WeakPolarHBondContact OD1-CD 3.34Å; N1845-R1939 WeakPolarHBondContact OD1-CG 3.41Å
1846D83Confident85.7Confident81.8 Ų81.850.8 Ų50.844%0.43727%0.267SS..  trans-103.8-18-169.5118.6-48.9000114.6I1844 D1879 R1939I1844-D1846 VanDerWaalsContact C-N 3.26Å; I1844-D1846 HydrophobicContact CD1-CB 3.8Å; I1844-D1846 HydrophobicContact CG1-CB 3.62Å; I1844-D1846 HydrophobicContact CG2-CB 4.32Å; I1844-D1846 PolarHBondContact O-N 2.91Å; I1844-D1846 VanDerWaalsContact O-N 3.11Å; D1846-D1879 PolarHBondContact N-OD2 3.07Å; D1846-R1939 VanDerWaalsContact C-CZ 3.43Å; D1846-R1939 VanDerWaalsContact CA-NH2 3.33Å; D1846-R1939 PolarHBondContact O-NH1 2.89Å; D1846-R1939 PolarHBondContact O-NH2 3.23Å
1847N81.8Confident85.4Confident52.4 Ų52.452.6 Ų52.628%0.2828%0.277SS..SBendtrans-94158.7172.6-62.6-87.9000111.9E1812 A1878 D1879 R1939E1812-N1847 VanDerWaalsContact CG-ND2 3.33Å; E1812-N1847 WeakPolarHBondContact CG-ND2 3.25Å; E1812-N1847 PolarHBondContact OE2-ND2 3.39Å; E1812-N1847 VanDerWaalsContact OE2-ND2 3.15Å; N1847-A1878 HydrophobicContact CB-CB 3.98Å; N1847-D1879 VanDerWaalsContact CB-OD1 3.27Å; N1847-D1879 WeakPolarHBondContact CB-OD1 3.37Å; N1847-D1879 PolarHBondContact N-OD1 3.02Å; N1847-D1879 VanDerWaalsContact N-OD1 3.07Å; N1847-D1879 PolarHBondContact N-OD2 3.13Å; N1847-D1879 VanDerWaalsContact N-OD2 3.09Å; N1847-D1879 PolarHBondContact ND2-OD1 3.08Å; N1847-R1939 WeakPolarHBondContact O-CD 3.34Å; N1847-R1939 PolarHBondContact O-NE 2.93Å; N1847-R1939 VanDerWaalsContact O-NE 3.09Å; N1847-R1939 PolarHBondContact O-NH1 3.35Å
1848D82.4Confident85.2Confident85 Ų8554 Ų5446%0.45529%0.286SS..  trans-101.6138.4174.9-77.1-56.4000110.1V1850 R1939D1848-V1850 WeakPolarHBondContact O-CG2 3.35Å; D1848-V1850 PolarHBondContact O-N 3Å; D1848-V1850 VanDerWaalsContact O-N 3.08Å; D1848-R1939 VanDerWaalsContact CG-CZ 3.41Å; D1848-R1939 VanDerWaalsContact CG-NE 3.32Å; D1848-R1939 VanDerWaalsContact CG-NH2 3.31Å; D1848-R1939 VanDerWaalsContact OD1-CB 3.31Å; D1848-R1939 WeakPolarHBondContact OD1-CB 3.38Å; D1848-R1939 WeakPolarHBondContact OD1-CD 3.4Å; D1848-R1939 WeakPolarHBondContact OD1-CG 3.05Å; D1848-R1939 IonicContact OD1-CZ 3.36Å; D1848-R1939 IonicContact OD1-NE 2.88Å; D1848-R1939 PolarHBondContact OD1-NE 3.24Å; D1848-R1939 IonicContact OD1-NH1 2.8Å; D1848-R1939 PolarHBondContact OD1-NH1 3.3Å; D1848-R1939 IonicContact OD1-NH2 3.4Å; D1848-R1939 PolarHBondContact OD1-NH2 2.65Å; D1848-R1939 IonicContact OD2-CZ 2.93Å; D1848-R1939 IonicContact OD2-NE 3.34Å; D1848-R1939 IonicContact OD2-NH1 3.29Å; D1848-R1939 IonicContact OD2-NH2 2.99Å; D1848-R1939 PolarHBondContact OD2-NH2 3.09Å
1849P87.8Confident84.9Confident2.2 Ų2.259.3 Ų59.31%0.01432%0.318CS..  trans-73.1126.9177.928.8-35.1000111.1S1876 D1877 L1886 V1928 D1930 R1939 D1941P1849-S1876 VanDerWaalsContact CA-O 3.31Å; P1849-S1876 WeakPolarHBondContact CA-O 3.47Å; P1849-D1877 WeakPolarHBondContact CA-OD2 3.33Å; P1849-D1877 HydrophobicContact CB-CB 4.5Å; P1849-D1877 VanDerWaalsContact CB-OD2 3.31Å; P1849-D1877 WeakPolarHBondContact CB-OD2 3.32Å; P1849-L1886 HydrophobicContact CB-CD2 3.48Å; P1849-L1886 VanDerWaalsContact CB-CD2 3.43Å; P1849-L1886 HydrophobicContact CG-CD2 4.47Å; P1849-V1928 HydrophobicContact CB-CG1 4.1Å; P1849-V1928 HydrophobicContact CB-CG2 4.42Å; P1849-V1928 HydrophobicContact CG-CG1 4.3Å; P1849-V1928 WeakPolarHBondContact O-CG1 3.44Å; P1849-D1930 HydrophobicContact CB-CB 4.31Å; P1849-D1930 VanDerWaalsContact CD-OD2 3.23Å; P1849-D1930 WeakPolarHBondContact CD-OD2 3.39Å; P1849-D1930 HydrophobicContact CG-CB 4.19Å; P1849-D1930 VanDerWaalsContact CG-OD2 3.26Å; P1849-D1930 WeakPolarHBondContact CG-OD2 3.23Å; P1849-R1939 HydrophobicContact CG-CB 4.3Å; P1849-D1941 WeakPolarHBondContact O-CB 3.37Å
1850V83.9Confident84.7Confident74.4 Ų74.460.4 Ų60.445%0.45132%0.324SS..EExtended strand (participates in β ladder)trans-106.4127.9-170.5-1760000112.2D1848 L1852 A1875 S1876D1848-V1850 WeakPolarHBondContact O-CG2 3.35Å; D1848-V1850 PolarHBondContact O-N 3Å; D1848-V1850 VanDerWaalsContact O-N 3.08Å; V1850-L1852 PolarHBondContact O-N 3.33Å; V1850-A1875 CarbonylContact O-C 3.5Å; V1850-A1875 WeakPolarHBondContact O-CA 3.36Å; V1850-A1875 VanDerWaalsContact O-CB 3.28Å; V1850-A1875 WeakPolarHBondContact O-CB 3.39Å; V1850-S1876 PolarHBondContact N-O 2.87Å; V1850-S1876 PolarHBondContact O-N 3.05Å
1851L86.9Confident84.5Confident20.6 Ų20.657 Ų5711%0.10832%0.317CS..EExtended strand (participates in β ladder)trans-72.4134.2169.8-73.7163.4000111.8L1854 V1873 A1875 F1888 V1928 D1941 D1943L1851-L1854 HydrophobicContact CB-CB 4.43Å; L1851-L1854 HydrophobicContact CD1-CD1 4.35Å; L1851-L1854 HydrophobicContact CD2-CD1 4.24Å; L1851-V1873 HydrophobicContact CD2-CG1 3.7Å; L1851-A1875 HydrophobicContact CD2-CB 4.26Å; L1851-F1888 HydrophobicContact CD2-CE1 4.47Å; L1851-V1928 HydrophobicContact CD1-CG1 4.37Å; L1851-V1928 HydrophobicContact CD2-CB 4.12Å; L1851-V1928 HydrophobicContact CD2-CG1 3.92Å; L1851-V1928 HydrophobicContact CG-CB 4.45Å; L1851-V1928 HydrophobicContact CG-CG1 3.79Å; L1851-D1941 VanDerWaalsContact CB-OD2 3.25Å; L1851-D1941 WeakPolarHBondContact CB-OD2 3.28Å; L1851-D1941 HydrophobicContact CD1-CB 4.36Å; L1851-D1941 HydrophobicContact CG-CB 4.36Å; L1851-D1941 WeakPolarHBondContact CG-OD2 3.25Å; L1851-D1941 PolarHBondContact N-OD2 2.85Å; L1851-D1943 HydrophobicContact CD1-CB 3.91Å
1852L84.3Confident84.1Confident99 Ų9957.4 Ų57.452%0.51832%0.318SS..SBendtrans-106.5-5.5-171.4-65.3176.4000114.6V1850 L1854 L1874 S1876V1850-L1852 PolarHBondContact O-N 3.33Å; L1852-L1854 VanDerWaalsContact C-N 3.28Å; L1852-L1854 PolarHBondContact O-N 3.48Å; L1852-L1874 HydrophobicContact CB-CB 4.16Å; L1852-L1874 HydrophobicContact CD1-CB 4.28Å; L1852-L1874 PolarHBondContact N-O 2.98Å; L1852-S1876 WeakPolarHBondContact CD2-OG 3.29Å
1853N84.6Confident83.9Confident71.6 Ų71.658.9 Ų58.938%0.38333%0.327SS..SBendtrans-148.623.2-173.365-40.9000116P1855 M1856 H1872 V1873 L1874N1853-P1855 WeakPolarHBondContact O-CD 3.46Å; N1853-P1855 VanDerWaalsContact O-N 3.15Å; N1853-M1856 WeakPolarHBondContact O-CB 3.43Å; N1853-H1872 PolarHBondContact ND2-O 2.81Å; N1853-V1873 WeakPolarHBondContact OD1-CA 3.44Å; N1853-L1874 HydrophobicContact CB-CB 4.28Å; N1853-L1874 HydrophobicContact CB-CD1 4.36Å; N1853-L1874 PolarHBondContact OD1-N 3.08Å; N1853-L1874 PolarHBondContact OD1-O 3.04Å
1854L84.3Confident83.7Confident23 Ų2358.2 Ų58.212%0.1233%0.325CS..  trans-95151.2168.8-82.1165.4000109.5L1851 L1852 M1856 V1873 V1926 D1943 L1945L1851-L1854 HydrophobicContact CB-CB 4.43Å; L1851-L1854 HydrophobicContact CD1-CD1 4.35Å; L1851-L1854 HydrophobicContact CD2-CD1 4.24Å; L1852-L1854 VanDerWaalsContact C-N 3.28Å; L1852-L1854 PolarHBondContact O-N 3.48Å; L1854-M1856 HydrophobicContact CD2-CB 4.08Å; L1854-M1856 PolarHBondContact O-N 3.37Å; L1854-V1873 HydrophobicContact CD1-CB 4.23Å; L1854-V1873 HydrophobicContact CD1-CG1 3.91Å; L1854-V1873 HydrophobicContact CD1-CG2 4.08Å; L1854-V1873 HydrophobicContact CD2-CG1 4.34Å; L1854-V1873 HydrophobicContact CD2-CG2 4.26Å; L1854-V1873 HydrophobicContact CG-CG1 4.2Å; L1854-V1873 HydrophobicContact CG-CG2 4.45Å; L1854-V1926 HydrophobicContact CD1-CB 3.91Å; L1854-V1926 HydrophobicContact CD1-CG1 4.27Å; L1854-V1926 HydrophobicContact CD1-CG2 4.4Å; L1854-V1926 HydrophobicContact CD2-CB 4.3Å; L1854-D1943 VanDerWaalsContact C-OD2 3.24Å; L1854-D1943 HydrophobicContact CB-CB 3.7Å; L1854-D1943 WeakPolarHBondContact CB-OD2 3.36Å; L1854-D1943 HydrophobicContact CD1-CB 4.12Å; L1854-D1943 HydrophobicContact CD2-CB 3.64Å; L1854-L1945 HydrophobicContact CD1-CB 4.35Å; L1854-L1945 HydrophobicContact CD2-CB 4.15Å; L1854-L1945 HydrophobicContact CD2-CD1 4.41Å; L1854-L1945 HydrophobicContact CG-CB 4.41Å
1855P81.8Confident83.5Confident85.2 Ų85.259.4 Ų59.455%0.55334%0.337SS*.  cis-78.4149.20.930.7-33.1000112.8N1853 N1857 V1858 A1871 D1943 L1944 L1945N1853-P1855 WeakPolarHBondContact O-CD 3.46Å; N1853-P1855 VanDerWaalsContact O-N 3.15Å; P1855-N1857 PolarHBondContact O-N 2.82Å; P1855-V1858 HydrophobicContact CB-CG2 3.86Å; P1855-V1858 HydrophobicContact CG-CG2 3.61Å; P1855-A1871 HydrophobicContact CG-CB 4.37Å; P1855-D1943 WeakPolarHBondContact CD-OD2 3.26Å; P1855-L1944 CarbonylContact C-O 3.59Å; P1855-L1944 VanDerWaalsContact CA-O 3.26Å; P1855-L1944 WeakPolarHBondContact CA-O 3.31Å; P1855-L1944 HydrophobicContact CB-CB 4.29Å; P1855-L1944 WeakPolarHBondContact CB-O 3.21Å; P1855-L1945 HydrophobicContact CG-CD1 4.1Å; P1855-L1945 WeakPolarHBondContact O-CD1 3.46Å
1856M81.9Confident83.4Confident81.8 Ų81.861.9 Ų61.940%0.40335%0.353SS..EExtended strand (participates in β ladder)trans-128.7155.9-174-170.2177.2167.100113.3N1853 L1854 V1858 A1871 L1944 L1945 L1946N1853-M1856 WeakPolarHBondContact O-CB 3.43Å; L1854-M1856 HydrophobicContact CD2-CB 4.08Å; L1854-M1856 PolarHBondContact O-N 3.37Å; M1856-V1858 HydrophobicContact CE-CG2 4.03Å; M1856-V1858 HydrophobicContact CG-CG2 4.21Å; M1856-V1858 HydrophobicContact SD-CG2 4.17Å; M1856-A1871 HydrophobicContact CE-CB 3.61Å; M1856-A1871 HydrophobicContact SD-CB 4.19Å; M1856-L1944 PolarHBondContact N-O 2.95Å; M1856-L1944 VanDerWaalsContact N-O 3.13Å; M1856-L1945 HydrophobicContact CB-CD1 4.05Å; M1856-L1945 HydrophobicContact CE-CD1 4Å; M1856-L1945 HydrophobicContact CG-CD1 4.07Å; M1856-L1945 CarbonylContact O-C 3.54Å; M1856-L1945 VanDerWaalsContact O-CA 3.31Å; M1856-L1945 WeakPolarHBondContact O-CA 3.32Å; M1856-L1945 HydrophobicContact SD-CD1 4.29Å; M1856-L1946 WeakPolarHBondContact O-CB 3.36Å; M1856-L1946 PolarHBondContact O-N 3Å
1857N84Confident83.5Confident117 Ų11762.5 Ų62.563%0.62636%0.363SS*.EExtended strand (participates in β ladder)trans-126.4141.6176.6-46.6-10.6000112.3P1855 L1946P1855-N1857 PolarHBondContact O-N 2.82Å; N1857-L1946 CarbonylContact C-O 3.51Å; N1857-L1946 WeakPolarHBondContact CA-O 3.4Å; N1857-L1946 HydrophobicContact CB-CB 4.31Å; N1857-L1946 HydrophobicContact CB-CD2 4.26Å; N1857-L1946 WeakPolarHBondContact OD1-CB 3.31Å; N1857-L1946 WeakPolarHBondContact OD1-CD2 3.29Å
1858V86.3Confident83.7Confident30 Ų3061.3 Ų61.318%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-140.4146.4-179.5-178.20000111.2P1855 M1856 I1860 V1870 A1871 L1945 L1946 V1947 S1948P1855-V1858 HydrophobicContact CB-CG2 3.86Å; P1855-V1858 HydrophobicContact CG-CG2 3.61Å; M1856-V1858 HydrophobicContact CE-CG2 4.03Å; M1856-V1858 HydrophobicContact CG-CG2 4.21Å; M1856-V1858 HydrophobicContact SD-CG2 4.17Å; V1858-I1860 HydrophobicContact CG1-CD1 3.67Å; V1858-I1860 HydrophobicContact CG1-CG1 4.06Å; V1858-I1860 HydrophobicContact CG1-CG2 4.18Å; V1858-V1870 HydrophobicContact CB-CG1 4.14Å; V1858-V1870 HydrophobicContact CG1-CB 4.26Å; V1858-V1870 HydrophobicContact CG1-CG1 4.1Å; V1858-V1870 VanDerWaalsContact CG1-O 3.32Å; V1858-V1870 WeakPolarHBondContact CG1-O 3.46Å; V1858-V1870 HydrophobicContact CG2-CG1 4.26Å; V1858-A1871 HydrophobicContact CG2-CB 4.17Å; V1858-L1945 HydrophobicContact CB-CD1 4.24Å; V1858-L1945 HydrophobicContact CG2-CD1 4.04Å; V1858-L1946 PolarHBondContact N-O 3Å; V1858-V1947 HydrophobicContact CB-CG1 4.14Å; V1858-V1947 HydrophobicContact CG1-CG1 4.22Å; V1858-V1947 CarbonylContact O-C 3.52Å; V1858-V1947 VanDerWaalsContact O-CA 3.3Å; V1858-V1947 WeakPolarHBondContact O-CA 3.27Å; V1858-S1948 PolarHBondContact O-N 2.95Å; V1858-S1948 PolarHBondContact O-OG 3.01Å
1859T84.2Confident84Confident109.6 Ų109.663.5 Ų63.567%0.67237%0.365SS*.EExtended strand (participates in β ladder)trans-119.2135.4175.4-0.50000111.2S1948 A1950T1859-S1948 CarbonylContact C-O 3.57Å; T1859-S1948 VanDerWaalsContact CA-O 3.3Å; T1859-S1948 WeakPolarHBondContact CA-O 3.35Å; T1859-S1948 WeakPolarHBondContact CG2-OG 3.34Å; T1859-A1950 HydrophobicContact CG2-CB 4.35Å
1860I86.4Confident84Confident24 Ų2463.8 Ų63.812%0.12337%0.367CS..  trans-142.7151.4-179.6163.6160000111.6V1858 E1862 S1864 V1870 F1899 V1910 L1914 V1947 S1948 L1949 A1950V1858-I1860 HydrophobicContact CG1-CD1 3.67Å; V1858-I1860 HydrophobicContact CG1-CG1 4.06Å; V1858-I1860 HydrophobicContact CG1-CG2 4.18Å; I1860-E1862 PolarHBondContact O-N 2.85Å; I1860-S1864 VanDerWaalsContact CG1-OG 3.22Å; I1860-S1864 WeakPolarHBondContact CG1-OG 3.4Å; I1860-S1864 WeakPolarHBondContact CG2-OG 3.3Å; I1860-V1870 HydrophobicContact CD1-CB 3.49Å; I1860-V1870 VanDerWaalsContact CD1-CB 3.49Å; I1860-V1870 HydrophobicContact CD1-CG1 3.16Å; I1860-V1870 HydrophobicContact CD1-CG2 3.92Å; I1860-V1870 HydrophobicContact CG2-CG2 3.9Å; I1860-F1899 HydrophobicContact CD1-CE1 3.58Å; I1860-F1899 HydrophobicContact CD1-CZ 3.9Å; I1860-F1899 HydrophobicContact CG1-CE1 4.31Å; I1860-F1899 HydrophobicContact CG1-CZ 4.39Å; I1860-V1910 HydrophobicContact CD1-CG2 3.58Å; I1860-L1914 HydrophobicContact CD1-CD1 3.35Å; I1860-L1914 VanDerWaalsContact CD1-CD1 3.43Å; I1860-L1914 HydrophobicContact CG1-CD1 4.11Å; I1860-L1914 HydrophobicContact CG2-CD1 4.1Å; I1860-V1947 HydrophobicContact CB-CG1 4.39Å; I1860-V1947 HydrophobicContact CD1-CG1 3.85Å; I1860-V1947 HydrophobicContact CG1-CG1 4.26Å; I1860-V1947 HydrophobicContact CG2-CG1 3.74Å; I1860-S1948 WeakPolarHBondContact CD1-O 3.49Å; I1860-S1948 WeakPolarHBondContact CG1-O 3.41Å; I1860-S1948 PolarHBondContact N-O 2.99Å; I1860-S1948 PolarHBondContact N-OG 2.85Å; I1860-L1949 HydrophobicContact CB-CD2 4.31Å; I1860-L1949 HydrophobicContact CG1-CD2 4.11Å; I1860-L1949 HydrophobicContact CG2-CD2 3.89Å; I1860-L1949 CarbonylContact O-C 3.56Å; I1860-L1949 VanDerWaalsContact O-CA 3.28Å; I1860-L1949 WeakPolarHBondContact O-CA 3.23Å; I1860-L1949 WeakPolarHBondContact O-CD2 3.46Å; I1860-A1950 PolarHBondContact O-N 3.19Å
1861S83.4Confident84.2Confident37 Ų3760.4 Ų60.426%0.25935%0.347SS..  trans-79.7152.6175.6159.80000111N1863 S1864 L1914 A1950 E1952S1861-N1863 VanDerWaalsContact C-N 3.28Å; S1861-N1863 PolarHBondContact O-N 2.98Å; S1861-N1863 PolarHBondContact OG-N 3.14Å; S1861-S1864 VanDerWaalsContact C-OG 3.31Å; S1861-S1864 VanDerWaalsContact CA-OG 3.31Å; S1861-S1864 WeakPolarHBondContact CA-OG 3.27Å; S1861-S1864 WeakPolarHBondContact CB-OG 3.34Å; S1861-S1864 PolarHBondContact N-OG 3.15Å; S1861-S1864 WeakPolarHBondContact O-CB 3.29Å; S1861-S1864 PolarHBondContact O-N 3.22Å; S1861-S1864 VanDerWaalsContact O-N 3.11Å; S1861-S1864 PolarHBondContact O-OG 3.16Å; S1861-S1864 PolarHBondContact OG-N 2.9Å; S1861-S1864 PolarHBondContact OG-OG 3.42Å; S1861-L1914 WeakPolarHBondContact O-CD1 3.26Å; S1861-A1950 WeakPolarHBondContact CA-O 3.22Å; S1861-A1950 VanDerWaalsContact OG-CB 3.3Å; S1861-A1950 WeakPolarHBondContact OG-CB 3.42Å; S1861-E1952 VanDerWaalsContact CB-OE1 3.28Å; S1861-E1952 WeakPolarHBondContact CB-OE1 3.43Å; S1861-E1952 WeakPolarHBondContact OG-CG 3.36Å; S1861-E1952 PolarHBondContact OG-OE1 2.88Å
1862E79.9Confident84.3Confident12.8 Ų12.863.4 Ų63.46%0.0636%0.36CS..THydrogen-bonded Turntrans-75.1-34179.181.6-170.7142.200114I1860 S1864 P1913 L1914 D1915 R1916 E1917 L1949 A1950 D1951 E1952 D1954I1860-E1862 PolarHBondContact O-N 2.85Å; E1862-S1864 CarbonylContact C-O 3.57Å; E1862-S1864 VanDerWaalsContact C-O 3.25Å; E1862-S1864 CarbonylContact O-C 3.57Å; E1862-S1864 PolarHBondContact O-N 3.07Å; E1862-P1913 VanDerWaalsContact OE1-C 3.27Å; E1862-L1914 HydrophobicContact CB-CB 3.97Å; E1862-L1914 VanDerWaalsContact CB-CB 3.42Å; E1862-L1914 HydrophobicContact CG-CB 4.08Å; E1862-L1914 PolarHBondContact OE1-N 3.12Å; E1862-L1914 VanDerWaalsContact OE1-N 3.1Å; E1862-D1915 VanDerWaalsContact CD-CA 3.43Å; E1862-D1915 WeakPolarHBondContact OE1-CA 3.24Å; E1862-D1915 PolarHBondContact OE1-N 3.46Å; E1862-D1915 WeakPolarHBondContact OE2-CA 3.21Å; E1862-D1915 PolarHBondContact OE2-N 2.94Å; E1862-R1916 HydrophobicContact CB-CB 4.3Å; E1862-R1916 VanDerWaalsContact OE2-CB 3.25Å; E1862-R1916 WeakPolarHBondContact OE2-CB 3.31Å; E1862-R1916 PolarHBondContact OE2-N 2.98Å; E1862-E1917 VanDerWaalsContact OE2-OE2 3.12Å; E1862-L1949 HydrophobicContact CB-CD1 4.32Å; E1862-A1950 HydrophobicContact CB-CB 4.02Å; E1862-A1950 VanDerWaalsContact N-CB 3.33Å; E1862-A1950 PolarHBondContact N-O 2.75Å; E1862-D1951 VanDerWaalsContact CB-N 3.28Å; E1862-D1951 WeakPolarHBondContact OE1-CA 3.05Å; E1862-D1951 PolarHBondContact OE2-N 2.98Å; E1862-E1952 HydrophobicContact CG-CB 4.25Å; E1862-E1952 HydrophobicContact CG-CG 4.21Å; E1862-E1952 PolarHBondContact OE1-N 3.02Å; E1862-E1952 VanDerWaalsContact OE1-N 3.13Å; E1862-D1954 VanDerWaalsContact CD-OD2 3.25Å; E1862-D1954 VanDerWaalsContact CG-OD2 3.23Å; E1862-D1954 WeakPolarHBondContact CG-OD2 3.38Å
1863N79.8Confident84.6Confident100.4 Ų100.458.7 Ų58.754%0.53734%0.336SS..THydrogen-bonded Turntrans-69.86.2169.7-65.3-41.4000113S1861 P1865 D1951 E1952 D1954S1861-N1863 VanDerWaalsContact C-N 3.28Å; S1861-N1863 PolarHBondContact O-N 2.98Å; S1861-N1863 PolarHBondContact OG-N 3.14Å; N1863-P1865 VanDerWaalsContact C-N 3.34Å; N1863-P1865 WeakPolarHBondContact O-CD 3.19Å; N1863-P1865 WeakPolarHBondContact O-CG 3.44Å; N1863-D1951 VanDerWaalsContact CG-C 3.44Å; N1863-D1951 VanDerWaalsContact CG-O 3.27Å; N1863-D1951 PolarHBondContact ND2-O 2.93Å; N1863-D1951 VanDerWaalsContact OD1-CA 3.31Å; N1863-D1951 WeakPolarHBondContact OD1-CA 3.36Å; N1863-D1951 PolarHBondContact OD1-N 3.31Å; N1863-D1951 PolarHBondContact OD1-O 3.43Å; N1863-E1952 HydrophobicContact CB-CB 3.83Å; N1863-E1952 HydrophobicContact CB-CG 4.26Å; N1863-E1952 VanDerWaalsContact CB-OE1 3.29Å; N1863-E1952 WeakPolarHBondContact CB-OE1 3.48Å; N1863-E1952 WeakPolarHBondContact ND2-CB 3.39Å; N1863-E1952 VanDerWaalsContact ND2-CG 3.35Å; N1863-E1952 WeakPolarHBondContact ND2-CG 3.22Å; N1863-E1952 PolarHBondContact ND2-OE1 3.22Å; N1863-E1952 PolarHBondContact ND2-OE2 2.83Å; N1863-D1954 PolarHBondContact ND2-OD2 2.81Å
1864S81.1Confident84.8Confident25.4 Ų25.459 Ų5918%0.17834%0.337CS..PPolyproline II helixtrans-65.9119.1171.7-65.30000111.5I1860 S1861 E1862 S1868I1860-S1864 VanDerWaalsContact CG1-OG 3.22Å; I1860-S1864 WeakPolarHBondContact CG1-OG 3.4Å; I1860-S1864 WeakPolarHBondContact CG2-OG 3.3Å; S1861-S1864 VanDerWaalsContact C-OG 3.31Å; S1861-S1864 VanDerWaalsContact CA-OG 3.31Å; S1861-S1864 WeakPolarHBondContact CA-OG 3.27Å; S1861-S1864 WeakPolarHBondContact CB-OG 3.34Å; S1861-S1864 PolarHBondContact N-OG 3.15Å; S1861-S1864 WeakPolarHBondContact O-CB 3.29Å; S1861-S1864 PolarHBondContact O-N 3.22Å; S1861-S1864 VanDerWaalsContact O-N 3.11Å; S1861-S1864 PolarHBondContact O-OG 3.16Å; S1861-S1864 PolarHBondContact OG-N 2.9Å; S1861-S1864 PolarHBondContact OG-OG 3.42Å; E1862-S1864 CarbonylContact C-O 3.57Å; E1862-S1864 VanDerWaalsContact C-O 3.25Å; E1862-S1864 CarbonylContact O-C 3.57Å; E1862-S1864 PolarHBondContact O-N 3.07Å; S1864-S1868 VanDerWaalsContact C-OG 3.24Å; S1864-S1868 VanDerWaalsContact CB-OG 3.31Å; S1864-S1868 WeakPolarHBondContact CB-OG 3.25Å; S1864-S1868 PolarHBondContact O-OG 2.95Å
1865P80.6Confident84.9Confident96.2 Ų96.258.9 Ų58.963%0.62534%0.339SS*.PPolyproline II helixtrans-64.8153-174.76.6-7.4000112.4N1863 S1867 S1868N1863-P1865 VanDerWaalsContact C-N 3.34Å; N1863-P1865 WeakPolarHBondContact O-CD 3.19Å; N1863-P1865 WeakPolarHBondContact O-CG 3.44Å; P1865-S1867 PolarHBondContact O-N 2.97Å; P1865-S1868 WeakPolarHBondContact CD-OG 3.07Å; P1865-S1868 VanDerWaalsContact O-CB 3.26Å; P1865-S1868 WeakPolarHBondContact O-CB 3.34Å; P1865-S1868 PolarHBondContact O-N 3.05Å; P1865-S1868 PolarHBondContact O-OG 3.11Å
1866V82.5Confident85.2Confident71 Ų7157.4 Ų57.443%0.4333%0.33SS..THydrogen-bonded Turntrans-54.1140.1173.9-177.10000110.4S1868 N1911 P1913V1866-S1868 VanDerWaalsContact C-N 3.29Å; V1866-S1868 PolarHBondContact O-N 2.97Å; V1866-N1911 VanDerWaalsContact CG1-O 3.27Å; V1866-N1911 WeakPolarHBondContact CG1-O 3.39Å; V1866-P1913 HydrophobicContact CG2-CG 4.19Å
1867S84.8Confident85.5Confident93.4 Ų93.455 Ų5565%0.65332%0.319SS*.THydrogen-bonded Turntrans759-170.2-24.20000116.3P1865 V1910P1865-S1867 PolarHBondContact O-N 2.97Å; S1867-V1910 VanDerWaalsContact CA-O 3.28Å; S1867-V1910 WeakPolarHBondContact CA-O 3.33Å; S1867-V1910 PolarHBondContact N-O 2.94Å
1868S86.2Confident85.5Confident28.4 Ų28.452.1 Ų52.120%0.19931%0.312CS..  trans-62.7142.2168.5310000111.7S1864 P1865 V1866 T1909 V1910S1864-S1868 VanDerWaalsContact C-OG 3.24Å; S1864-S1868 VanDerWaalsContact CB-OG 3.31Å; S1864-S1868 WeakPolarHBondContact CB-OG 3.25Å; S1864-S1868 PolarHBondContact O-OG 2.95Å; P1865-S1868 WeakPolarHBondContact CD-OG 3.07Å; P1865-S1868 VanDerWaalsContact O-CB 3.26Å; P1865-S1868 WeakPolarHBondContact O-CB 3.34Å; P1865-S1868 PolarHBondContact O-N 3.05Å; P1865-S1868 PolarHBondContact O-OG 3.11Å; V1866-S1868 VanDerWaalsContact C-N 3.29Å; V1866-S1868 PolarHBondContact O-N 2.97Å; S1868-T1909 CarbonylContact O-C 3.43Å; S1868-T1909 VanDerWaalsContact O-CA 3.28Å; S1868-T1909 WeakPolarHBondContact O-CA 3.37Å; S1868-T1909 VanDerWaalsContact O-CB 3.29Å; S1868-T1909 WeakPolarHBondContact O-CB 3.33Å; S1868-V1910 WeakPolarHBondContact O-CG2 3.19Å; S1868-V1910 PolarHBondContact O-N 3.05Å; S1868-V1910 VanDerWaalsContact OG-CB 3.24Å; S1868-V1910 WeakPolarHBondContact OG-CB 3.24Å; S1868-V1910 WeakPolarHBondContact OG-CG2 3.32Å
1869F88.8Confident85.6Confident130.4 Ų130.451.2 Ų51.257%0.57231%0.306SS*.EExtended strand (participates in β ladder)trans-74.8139.7-177.4172.7-90.9000111.6A1871 H1872 I1907F1869-A1871 VanDerWaalsContact CE2-O 3.23Å; F1869-A1871 WeakPolarHBondContact CE2-O 3.42Å; F1869-A1871 VanDerWaalsContact CZ-C 3.48Å; F1869-H1872 HydrophobicContact CE2-CB 4.24Å; F1869-H1872 HydrophobicContact CZ-CB 4.15Å; F1869-I1907 HydrophobicContact CD2-CG2 3.86Å; F1869-I1907 HydrophobicContact CE2-CG1 4.45Å; F1869-I1907 HydrophobicContact CE2-CG2 3.94Å
1870V88.1Confident85.5Confident9.2 Ų9.248.6 Ų48.66%0.05629%0.292CS..EExtended strand (participates in β ladder)trans-117.6-62178.9-179.50000111V1858 I1860 F1899 V1908 V1910 V1947V1858-V1870 HydrophobicContact CB-CG1 4.14Å; V1858-V1870 HydrophobicContact CG1-CB 4.26Å; V1858-V1870 HydrophobicContact CG1-CG1 4.1Å; V1858-V1870 VanDerWaalsContact CG1-O 3.32Å; V1858-V1870 WeakPolarHBondContact CG1-O 3.46Å; V1858-V1870 HydrophobicContact CG2-CG1 4.26Å; I1860-V1870 HydrophobicContact CD1-CB 3.49Å; I1860-V1870 VanDerWaalsContact CD1-CB 3.49Å; I1860-V1870 HydrophobicContact CD1-CG1 3.16Å; I1860-V1870 HydrophobicContact CD1-CG2 3.92Å; I1860-V1870 HydrophobicContact CG2-CG2 3.9Å; V1870-F1899 HydrophobicContact CB-CD1 4.44Å; V1870-F1899 HydrophobicContact CG1-CD1 4.28Å; V1870-F1899 HydrophobicContact CG1-CE1 4.27Å; V1870-F1899 HydrophobicContact CG2-CD1 3.88Å; V1870-F1899 HydrophobicContact CG2-CE1 3.82Å; V1870-V1908 WeakPolarHBondContact CA-O 2.97Å; V1870-V1908 HydrophobicContact CB-CB 4.25Å; V1870-V1908 HydrophobicContact CB-CG1 4.06Å; V1870-V1908 VanDerWaalsContact CB-O 3.23Å; V1870-V1908 WeakPolarHBondContact CB-O 3.24Å; V1870-V1908 HydrophobicContact CG1-CB 4.26Å; V1870-V1908 HydrophobicContact CG1-CG1 4.1Å; V1870-V1908 HydrophobicContact CG2-CG1 4.39Å; V1870-V1908 PolarHBondContact N-O 3.19Å; V1870-V1910 HydrophobicContact CG2-CG2 3.76Å; V1870-V1947 HydrophobicContact CG1-CB 4.35Å; V1870-V1947 HydrophobicContact CG1-CG1 3.93Å; V1870-V1947 VanDerWaalsContact CG1-CG1 3.42Å; V1870-V1947 HydrophobicContact CG1-CG2 3.98Å; V1870-V1947 HydrophobicContact CG2-CG1 4.42Å
1871A88Confident85.4Confident3.4 Ų3.450.4 Ų50.43%0.02832%0.316CS..EExtended strand (participates in β ladder)trans-150.1166.2-174.400000111.7P1855 M1856 V1858 F1869 I1907 V1908 L1945P1855-A1871 HydrophobicContact CG-CB 4.37Å; M1856-A1871 HydrophobicContact CE-CB 3.61Å; M1856-A1871 HydrophobicContact SD-CB 4.19Å; V1858-A1871 HydrophobicContact CG2-CB 4.17Å; F1869-A1871 VanDerWaalsContact CE2-O 3.23Å; F1869-A1871 WeakPolarHBondContact CE2-O 3.42Å; F1869-A1871 VanDerWaalsContact CZ-C 3.48Å; A1871-I1907 CarbonylContact O-C 3.59Å; A1871-I1907 VanDerWaalsContact O-CA 3.26Å; A1871-I1907 WeakPolarHBondContact O-CA 3.49Å; A1871-V1908 HydrophobicContact CB-CB 4.26Å; A1871-V1908 HydrophobicContact CB-CG2 4.13Å; A1871-V1908 PolarHBondContact N-O 3.05Å; A1871-V1908 PolarHBondContact O-N 3.09Å; A1871-L1945 HydrophobicContact CB-CD1 4.11Å; A1871-L1945 HydrophobicContact CB-CD2 3.85Å
1872H90.2Very high85.3Confident82.8 Ų82.851.5 Ų51.538%0.38332%0.323SS..EExtended strand (participates in β ladder)trans-129.7118.5170.9-177-158.3000108.8N1853 F1869 L1874 T1905 G1906 I1907N1853-H1872 PolarHBondContact ND2-O 2.81Å; F1869-H1872 HydrophobicContact CE2-CB 4.24Å; F1869-H1872 HydrophobicContact CZ-CB 4.15Å; H1872-L1874 WeakPolarHBondContact CE1-CD2 3.46Å; H1872-T1905 PolarHBondContact CD2-O 3.02Å; H1872-T1905 VanDerWaalsContact CD2-O 3.23Å; H1872-T1905 PolarHBondContact NE2-O 3.07Å; H1872-T1905 VanDerWaalsContact NE2-O 3.14Å; H1872-G1906 CarbonylContact C-O 3.41Å; H1872-G1906 WeakPolarHBondContact CA-O 3.45Å; H1872-I1907 HydrophobicContact CB-CG1 4.45Å; H1872-I1907 VanDerWaalsContact CD2-CG1 3.5Å; H1872-I1907 WeakPolarHBondContact CD2-CG1 3.4Å
1873V89Confident85.5Confident0.8 Ų0.851.8 Ų51.81%0.00533%0.325CS..  trans-96.8133.5-179.1-1760000109.4L1851 N1853 L1854 F1888 I1901 G1906 V1908 V1926 L1945L1851-V1873 HydrophobicContact CD2-CG1 3.7Å; N1853-V1873 WeakPolarHBondContact OD1-CA 3.44Å; L1854-V1873 HydrophobicContact CD1-CB 4.23Å; L1854-V1873 HydrophobicContact CD1-CG1 3.91Å; L1854-V1873 HydrophobicContact CD1-CG2 4.08Å; L1854-V1873 HydrophobicContact CD2-CG1 4.34Å; L1854-V1873 HydrophobicContact CD2-CG2 4.26Å; L1854-V1873 HydrophobicContact CG-CG1 4.2Å; L1854-V1873 HydrophobicContact CG-CG2 4.45Å; V1873-F1888 HydrophobicContact CB-CD1 4.21Å; V1873-F1888 HydrophobicContact CB-CE1 4.27Å; V1873-F1888 HydrophobicContact CG1-CD1 4.04Å; V1873-F1888 HydrophobicContact CG1-CE1 4.02Å; V1873-F1888 WeakPolarHBondContact O-CE1 3.37Å; V1873-I1901 HydrophobicContact CB-CD1 4.19Å; V1873-I1901 HydrophobicContact CG2-CD1 4.08Å; V1873-G1906 VanDerWaalsContact CB-O 3.3Å; V1873-G1906 WeakPolarHBondContact CB-O 3.43Å; V1873-G1906 WeakPolarHBondContact CG2-O 3.32Å; V1873-G1906 PolarHBondContact N-O 3.06Å; V1873-V1908 HydrophobicContact CG2-CG2 4.1Å; V1873-V1926 HydrophobicContact CB-CG1 4.26Å; V1873-V1926 HydrophobicContact CG1-CG1 4.11Å; V1873-V1926 HydrophobicContact CG2-CG1 4.26Å; V1873-V1926 HydrophobicContact CG2-CG2 4.46Å; V1873-L1945 HydrophobicContact CG2-CD2 4.44Å
1874L88.7Confident85.6Confident78 Ų7848.6 Ų48.641%0.40831%0.313SS..  trans-119.9143.8-177.4-61.7174.6000110.8L1852 N1853 H1872L1852-L1874 HydrophobicContact CB-CB 4.16Å; L1852-L1874 HydrophobicContact CD1-CB 4.28Å; L1852-L1874 PolarHBondContact N-O 2.98Å; N1853-L1874 HydrophobicContact CB-CB 4.28Å; N1853-L1874 HydrophobicContact CB-CD1 4.36Å; N1853-L1874 PolarHBondContact OD1-N 3.08Å; N1853-L1874 PolarHBondContact OD1-O 3.04Å; H1872-L1874 WeakPolarHBondContact CE1-CD2 3.46Å
1875A87.8Confident85.9Confident19.8 Ų19.851.6 Ų51.616%0.16433%0.326CS..EExtended strand (participates in β ladder)trans-148.2164.8173.700000111.3V1850 L1851 L1886 F1888 V1928V1850-A1875 CarbonylContact O-C 3.5Å; V1850-A1875 WeakPolarHBondContact O-CA 3.36Å; V1850-A1875 VanDerWaalsContact O-CB 3.28Å; V1850-A1875 WeakPolarHBondContact O-CB 3.39Å; L1851-A1875 HydrophobicContact CD2-CB 4.26Å; A1875-L1886 HydrophobicContact CB-CD1 3.89Å; A1875-L1886 HydrophobicContact CB-CD2 4.27Å; A1875-L1886 VanDerWaalsContact O-CD1 3.26Å; A1875-L1886 WeakPolarHBondContact O-CD1 3.27Å; A1875-F1888 HydrophobicContact CB-CE1 3.81Å; A1875-F1888 HydrophobicContact CB-CZ 3.96Å; A1875-V1928 HydrophobicContact CB-CB 4.17Å; A1875-V1928 HydrophobicContact CB-CG1 4.04Å; A1875-V1928 HydrophobicContact CB-CG2 3.88Å
1876S87.2Confident86.2Confident53.2 Ų53.248.6 Ų48.637%0.37231%0.305SS..EExtended strand (participates in β ladder)trans-142148.5175.2550000112P1849 V1850 L1852P1849-S1876 VanDerWaalsContact CA-O 3.31Å; P1849-S1876 WeakPolarHBondContact CA-O 3.47Å; V1850-S1876 PolarHBondContact N-O 2.87Å; V1850-S1876 PolarHBondContact O-N 3.05Å; L1852-S1876 WeakPolarHBondContact CD2-OG 3.29Å
1877D87.7Confident86.5Confident32.6 Ų32.646.9 Ų46.917%0.17430%0.295CS..  trans-123.1157.4172.9-148.9-51.3000110.2P1849 D1879 A1884 L1886 D1930P1849-D1877 WeakPolarHBondContact CA-OD2 3.33Å; P1849-D1877 HydrophobicContact CB-CB 4.5Å; P1849-D1877 VanDerWaalsContact CB-OD2 3.31Å; P1849-D1877 WeakPolarHBondContact CB-OD2 3.32Å; D1877-D1879 VanDerWaalsContact OD1-CB 3.28Å; D1877-D1879 WeakPolarHBondContact OD1-CB 3.31Å; D1877-D1879 VanDerWaalsContact OD1-CG 3.25Å; D1877-D1879 PolarHBondContact OD1-N 2.92Å; D1877-D1879 VanDerWaalsContact OD1-N 3.13Å; D1877-A1884 HydrophobicContact CB-CB 3.98Å; D1877-L1886 HydrophobicContact CB-CD2 4.06Å; D1877-L1886 HydrophobicContact CB-CG 4.35Å; D1877-D1930 WeakPolarHBondContact OD2-CB 3.22Å
1878A84.7Confident86.8Confident56 Ų5643.3 Ų43.346%0.46327%0.267SS..SBendtrans-104.3-20.4178.200000113.8R1811 E1812 N1847R1811-A1878 PolarHBondContact NH2-O 3.16Å; E1812-A1878 HydrophobicContact CG-CB 4.09Å; N1847-A1878 HydrophobicContact CB-CB 3.98Å
1879D88.3Confident87Confident11.6 Ų11.646.2 Ų46.26%0.06228%0.28CS..SBendtrans-65.3-173.5177.7-66.6-12.5000112.3R1811 E1812 N1845 D1846 N1847 D1877 N1883 A1884R1811-D1879 VanDerWaalsContact NH2-CA 3.34Å; R1811-D1879 PolarHBondContact NH2-O 3.09Å; E1812-D1879 WeakPolarHBondContact OE1-CA 3.14Å; N1845-D1879 VanDerWaalsContact C-OD2 3.31Å; N1845-D1879 VanDerWaalsContact CA-OD2 3.25Å; N1845-D1879 WeakPolarHBondContact CA-OD2 3.32Å; N1845-D1879 PolarHBondContact ND2-OD2 2.96Å; D1846-D1879 PolarHBondContact N-OD2 3.07Å; N1847-D1879 VanDerWaalsContact CB-OD1 3.27Å; N1847-D1879 WeakPolarHBondContact CB-OD1 3.37Å; N1847-D1879 PolarHBondContact N-OD1 3.02Å; N1847-D1879 VanDerWaalsContact N-OD1 3.07Å; N1847-D1879 PolarHBondContact N-OD2 3.13Å; N1847-D1879 VanDerWaalsContact N-OD2 3.09Å; N1847-D1879 PolarHBondContact ND2-OD1 3.08Å; D1877-D1879 VanDerWaalsContact OD1-CB 3.28Å; D1877-D1879 WeakPolarHBondContact OD1-CB 3.31Å; D1877-D1879 VanDerWaalsContact OD1-CG 3.25Å; D1877-D1879 PolarHBondContact OD1-N 2.92Å; D1877-D1879 VanDerWaalsContact OD1-N 3.13Å; D1879-N1883 HydrophobicContact CB-CB 3.62Å; D1879-N1883 VanDerWaalsContact CB-CB 3.44Å; D1879-N1883 WeakPolarHBondContact OD2-CB 3.08Å; D1879-A1884 HydrophobicContact CB-CB 4.25Å; D1879-A1884 VanDerWaalsContact O-CB 3.28Å; D1879-A1884 WeakPolarHBondContact O-CB 3.31Å
1880S83.2Confident87Confident53.2 Ų53.240.9 Ų40.937%0.37226%0.258SS..  trans-123.3160.9-177.9-142.20000114.4R1811 D1843 C1882 N1883 A1884R1811-S1880 VanDerWaalsContact CZ-OG 3.26Å; R1811-S1880 PolarHBondContact NH1-OG 2.83Å; R1811-S1880 VanDerWaalsContact NH1-OG 3.14Å; R1811-S1880 VanDerWaalsContact NH2-N 3.17Å; R1811-S1880 PolarHBondContact NH2-OG 3.02Å; D1843-S1880 VanDerWaalsContact CG-CB 3.44Å; D1843-S1880 WeakPolarHBondContact OD1-CA 3.23Å; D1843-S1880 VanDerWaalsContact OD1-CB 3.28Å; D1843-S1880 WeakPolarHBondContact OD1-CB 3.28Å; D1843-S1880 PolarHBondContact OD1-N 2.95Å; D1843-S1880 WeakPolarHBondContact OD2-CA 3.49Å; D1843-S1880 PolarHBondContact OD2-N 3.19Å; D1843-S1880 VanDerWaalsContact OD2-O 3.1Å; S1880-C1882 PolarHBondContact O-N 3.05Å; S1880-C1882 VanDerWaalsContact O-N 3.08Å; S1880-N1883 WeakPolarHBondContact O-CB 3.28Å; S1880-N1883 PolarHBondContact O-N 2.93Å; S1880-A1884 PolarHBondContact O-N 3.04Å
1881G83.3Confident87Confident62 Ų6244.3 Ų44.364%0.63928%0.279SS*.THydrogen-bonded Turntrans58.4-118.5171.200000113.9N1883 A1884 L1885G1881-N1883 VanDerWaalsContact C-N 3.33Å; G1881-N1883 PolarHBondContact O-N 3.06Å; G1881-A1884 PolarHBondContact O-N 3.05Å; G1881-L1885 PolarHBondContact O-N 2.82Å
1882C81.8Confident86.9Confident60.2 Ų60.246.4 Ų46.441%0.40730%0.296SS..THydrogen-bonded Turntrans-79.8-21.4179.9-49.60000113.4S1880 A1884 L1885 N1931 E1933S1880-C1882 PolarHBondContact O-N 3.05Å; S1880-C1882 VanDerWaalsContact O-N 3.08Å; C1882-A1884 VanDerWaalsContact C-N 3.27Å; C1882-A1884 PolarHBondContact O-N 2.84Å; C1882-L1885 WeakPolarHBondContact O-CB 3.32Å; C1882-L1885 PolarHBondContact O-N 3.07Å; C1882-L1885 VanDerWaalsContact O-N 3.08Å; C1882-N1931 WeakPolarHBondContact O-CA 3.38Å; C1882-N1931 PolarHBondContact O-N 3.01Å; C1882-E1933 PolarHBondContact SG-OE2 3.2Å; C1882-E1933 VanDerWaalsContact SG-OE2 3.37Å
1883N83Confident86.6Confident20.4 Ų20.444.2 Ų44.211%0.10930%0.296CS..THydrogen-bonded Turntrans-68.8-43.6175.7-63.6-20.8000109.7D1843 I1844 N1845 D1879 S1880 G1881 L1885 D1930 N1931D1843-N1883 PolarHBondContact O-ND2 3.02Å; D1843-N1883 VanDerWaalsContact OD2-CB 3.29Å; D1843-N1883 WeakPolarHBondContact OD2-CB 3.41Å; D1843-N1883 PolarHBondContact OD2-ND2 3.12Å; I1844-N1883 VanDerWaalsContact C-ND2 3.26Å; I1844-N1883 PolarHBondContact O-ND2 2.9Å; N1845-N1883 HydrophobicContact CB-CB 4.28Å; N1845-N1883 PolarHBondContact N-ND2 2.83Å; N1845-N1883 PolarHBondContact ND2-OD1 2.88Å; N1845-N1883 WeakPolarHBondContact OD1-CA 3.38Å; N1845-N1883 VanDerWaalsContact OD1-CB 3.23Å; N1845-N1883 WeakPolarHBondContact OD1-CB 3.29Å; N1845-N1883 PolarHBondContact OD1-O 3.44Å; N1845-N1883 PolarHBondContact OD1-OD1 3.09Å; D1879-N1883 HydrophobicContact CB-CB 3.62Å; D1879-N1883 VanDerWaalsContact CB-CB 3.44Å; D1879-N1883 WeakPolarHBondContact OD2-CB 3.08Å; S1880-N1883 WeakPolarHBondContact O-CB 3.28Å; S1880-N1883 PolarHBondContact O-N 2.93Å; G1881-N1883 VanDerWaalsContact C-N 3.33Å; G1881-N1883 PolarHBondContact O-N 3.06Å; N1883-L1885 PolarHBondContact O-N 2.84Å; N1883-D1930 CarbonylContact O-C 3.44Å; N1883-D1930 WeakPolarHBondContact O-CA 3.16Å; N1883-D1930 VanDerWaalsContact O-CB 3.29Å; N1883-D1930 WeakPolarHBondContact O-CB 3.22Å; N1883-N1931 PolarHBondContact O-N 3.02Å; N1883-N1931 PolarHBondContact OD1-ND2 2.96Å
1884A83.2Confident86.6Confident32.8 Ų32.846 Ų4627%0.27131%0.305SS..THydrogen-bonded Turntrans-78.512.5176.100000116.4D1877 D1879 S1880 G1881 C1882 L1886D1877-A1884 HydrophobicContact CB-CB 3.98Å; D1879-A1884 HydrophobicContact CB-CB 4.25Å; D1879-A1884 VanDerWaalsContact O-CB 3.28Å; D1879-A1884 WeakPolarHBondContact O-CB 3.31Å; S1880-A1884 PolarHBondContact O-N 3.04Å; G1881-A1884 PolarHBondContact O-N 3.05Å; C1882-A1884 VanDerWaalsContact C-N 3.27Å; C1882-A1884 PolarHBondContact O-N 2.84Å; A1884-L1886 PolarHBondContact O-N 3.07Å
1885L85.7Confident86.2Confident88 Ų8849.9 Ų49.946%0.46132%0.315SS..  trans-92.198.3-175.3-171.164.7000111.9G1881 C1882 N1883 T1887 T1904 D1930 N1931 P1932G1881-L1885 PolarHBondContact O-N 2.82Å; C1882-L1885 WeakPolarHBondContact O-CB 3.32Å; C1882-L1885 PolarHBondContact O-N 3.07Å; C1882-L1885 VanDerWaalsContact O-N 3.08Å; N1883-L1885 PolarHBondContact O-N 2.84Å; L1885-T1887 PolarHBondContact O-N 3.09Å; L1885-T1887 PolarHBondContact O-OG1 3.07Å; L1885-T1904 HydrophobicContact CD1-CG2 3.88Å; L1885-D1930 CarbonylContact O-C 3.52Å; L1885-D1930 WeakPolarHBondContact O-CA 3.3Å; L1885-N1931 PolarHBondContact O-N 3.02Å; L1885-P1932 HydrophobicContact CB-CG 4.4Å; L1885-P1932 HydrophobicContact CD2-CG 3.78Å; L1885-P1932 HydrophobicContact CG-CG 3.98Å; L1885-P1932 VanDerWaalsContact O-CD 3.31Å; L1885-P1932 WeakPolarHBondContact O-CD 3.35Å
1886L88.4Confident85.8Confident34 Ų3453.4 Ų53.418%0.17833%0.328CS..  trans-76.5136.6-172.3-59.1173.7000114.1P1849 A1875 D1877 A1884 F1888 V1928 K1929 D1930P1849-L1886 HydrophobicContact CB-CD2 3.48Å; P1849-L1886 VanDerWaalsContact CB-CD2 3.43Å; P1849-L1886 HydrophobicContact CG-CD2 4.47Å; A1875-L1886 HydrophobicContact CB-CD1 3.89Å; A1875-L1886 HydrophobicContact CB-CD2 4.27Å; A1875-L1886 VanDerWaalsContact O-CD1 3.26Å; A1875-L1886 WeakPolarHBondContact O-CD1 3.27Å; D1877-L1886 HydrophobicContact CB-CD2 4.06Å; D1877-L1886 HydrophobicContact CB-CG 4.35Å; A1884-L1886 PolarHBondContact O-N 3.07Å; L1886-F1888 HydrophobicContact CB-CE2 4.21Å; L1886-F1888 HydrophobicContact CB-CZ 4.35Å; L1886-V1928 HydrophobicContact CB-CG2 4.04Å; L1886-V1928 HydrophobicContact CD1-CG2 4.42Å; L1886-V1928 HydrophobicContact CD2-CG2 3.8Å; L1886-V1928 HydrophobicContact CG-CG2 4.34Å; L1886-K1929 CarbonylContact C-O 3.55Å; L1886-K1929 VanDerWaalsContact CA-O 3.27Å; L1886-K1929 WeakPolarHBondContact CA-O 3.4Å; L1886-D1930 HydrophobicContact CD2-CB 4.26Å
1887T88.1Confident85.7Confident34.6 Ų34.659.7 Ų59.721%0.21234%0.343CS..EExtended strand (participates in β ladder)trans-128.4121.5173.71.20000112.1L1885 N1889 A1903 V1928 K1929 P1932L1885-T1887 PolarHBondContact O-N 3.09Å; L1885-T1887 PolarHBondContact O-OG1 3.07Å; T1887-N1889 PolarHBondContact O-N 3.05Å; T1887-A1903 CarbonylContact C-O 3.38Å; T1887-A1903 VanDerWaalsContact CA-O 3.27Å; T1887-A1903 WeakPolarHBondContact CA-O 3.4Å; T1887-A1903 HydrophobicContact CG2-CB 4.4Å; T1887-V1928 CarbonylContact O-C 3.6Å; T1887-V1928 VanDerWaalsContact O-CA 3.26Å; T1887-V1928 WeakPolarHBondContact O-CA 3.4Å; T1887-V1928 WeakPolarHBondContact O-CG2 3.28Å; T1887-K1929 WeakPolarHBondContact CA-O 3.31Å; T1887-K1929 WeakPolarHBondContact CB-O 3.5Å; T1887-K1929 PolarHBondContact N-O 2.93Å; T1887-K1929 WeakPolarHBondContact O-CG 3.11Å; T1887-K1929 PolarHBondContact O-N 2.88Å; T1887-K1929 WeakPolarHBondContact OG1-CE 3.4Å; T1887-K1929 WeakPolarHBondContact OG1-CG 3.45Å; T1887-K1929 PolarHBondContact OG1-O 2.89Å; T1887-K1929 VanDerWaalsContact OG1-O 3.08Å; T1887-P1932 HydrophobicContact CG2-CB 3.95Å; T1887-P1932 HydrophobicContact CG2-CG 3.85Å; T1887-P1932 VanDerWaalsContact OG1-CB 3.24Å; T1887-P1932 WeakPolarHBondContact OG1-CB 3.41Å; T1887-P1932 WeakPolarHBondContact OG1-CD 3.09Å; T1887-P1932 WeakPolarHBondContact OG1-CG 3.48Å
1888F90.9Very high85.6Confident17.6 Ų17.658.2 Ų58.28%0.07734%0.336CS..EExtended strand (participates in β ladder)trans-94.1143.5-179.1-58.7-87000112.4L1851 V1873 A1875 L1886 I1901 A1903 G1906 S1927 V1928L1851-F1888 HydrophobicContact CD2-CE1 4.47Å; V1873-F1888 HydrophobicContact CB-CD1 4.21Å; V1873-F1888 HydrophobicContact CB-CE1 4.27Å; V1873-F1888 HydrophobicContact CG1-CD1 4.04Å; V1873-F1888 HydrophobicContact CG1-CE1 4.02Å; V1873-F1888 WeakPolarHBondContact O-CE1 3.37Å; A1875-F1888 HydrophobicContact CB-CE1 3.81Å; A1875-F1888 HydrophobicContact CB-CZ 3.96Å; L1886-F1888 HydrophobicContact CB-CE2 4.21Å; L1886-F1888 HydrophobicContact CB-CZ 4.35Å; F1888-I1901 HydrophobicContact CB-CD1 3.79Å; F1888-I1901 HydrophobicContact CB-CG1 4.13Å; F1888-I1901 HydrophobicContact CG-CD1 4.47Å; F1888-I1901 WeakPolarHBondContact O-CG2 3.4Å; F1888-A1903 WeakPolarHBondContact CD2-O 3.22Å; F1888-A1903 PolarHBondContact N-O 3.21Å; F1888-A1903 VanDerWaalsContact O-CA 3.29Å; F1888-A1903 WeakPolarHBondContact O-CA 3.32Å; F1888-A1903 WeakPolarHBondContact O-CB 3.35Å; F1888-G1906 VanDerWaalsContact CD2-CA 3.44Å; F1888-G1906 VanDerWaalsContact CD2-N 3.34Å; F1888-S1927 WeakPolarHBondContact CA-O 3.45Å; F1888-V1928 HydrophobicContact CD1-CB 4.06Å; F1888-V1928 HydrophobicContact CD1-CG2 3.91Å; F1888-V1928 HydrophobicContact CE1-CB 4.14Å; F1888-V1928 HydrophobicContact CE1-CG2 3.78Å; F1888-V1928 HydrophobicContact CG-CG2 4.43Å; F1888-V1928 HydrophobicContact CZ-CG2 4.22Å
1889N90Very high86Confident88.6 Ų88.655.7 Ų55.747%0.47431%0.314SS..EExtended strand (participates in β ladder)trans-151.4154.4174.6-166.915.5000112.2T1887 T1891 I1901 V1926 S1927T1887-N1889 PolarHBondContact O-N 3.05Å; N1889-T1891 PolarHBondContact O-N 2.72Å; N1889-I1901 VanDerWaalsContact CA-CG2 3.44Å; N1889-V1926 CarbonylContact O-C 3.54Å; N1889-V1926 VanDerWaalsContact O-CA 3.29Å; N1889-V1926 WeakPolarHBondContact O-CA 3.37Å; N1889-V1926 WeakPolarHBondContact O-CG1 3.33Å; N1889-S1927 PolarHBondContact N-O 3.2Å; N1889-S1927 PolarHBondContact O-N 2.94Å; N1889-S1927 VanDerWaalsContact O-O 3.05Å; N1889-S1927 PolarHBondContact O-OG 2.83Å
1890I90Very high86Confident19.6 Ų19.660.1 Ų60.110%0.10133%0.333CS..EExtended strand (participates in β ladder)trans-96.2113.7168.3-61159.6000108.1A1892 N1894 F1899 I1901 V1908 L1924 T1925 V1926I1890-A1892 WeakPolarHBondContact CG2-O 3.33Å; I1890-N1894 HydrophobicContact CB-CB 4.14Å; I1890-N1894 HydrophobicContact CD1-CB 4.34Å; I1890-N1894 WeakPolarHBondContact CD1-ND2 3.47Å; I1890-N1894 HydrophobicContact CG2-CB 3.7Å; I1890-F1899 HydrophobicContact CD1-CB 4.19Å; I1890-I1901 HydrophobicContact CB-CG2 4.29Å; I1890-I1901 HydrophobicContact CD1-CB 3.89Å; I1890-I1901 HydrophobicContact CD1-CG2 4.02Å; I1890-I1901 HydrophobicContact CG1-CB 3.97Å; I1890-I1901 HydrophobicContact CG1-CD1 4.21Å; I1890-I1901 HydrophobicContact CG1-CG2 3.74Å; I1890-V1908 HydrophobicContact CD1-CG1 4.45Å; I1890-L1924 HydrophobicContact CD1-CB 4.47Å; I1890-L1924 HydrophobicContact CD1-CD1 4.09Å; I1890-L1924 HydrophobicContact CD1-CD2 4.24Å; I1890-L1924 HydrophobicContact CD1-CG 4.42Å; I1890-L1924 HydrophobicContact CG1-CB 4.22Å; I1890-L1924 HydrophobicContact CG1-CD1 4.48Å; I1890-L1924 HydrophobicContact CG2-CB 4.05Å; I1890-L1924 HydrophobicContact CG2-CD2 4.17Å; I1890-L1924 HydrophobicContact CG2-CG 4.28Å; I1890-T1925 CarbonylContact C-O 3.49Å; I1890-T1925 VanDerWaalsContact CA-O 3.25Å; I1890-T1925 WeakPolarHBondContact CA-O 3.25Å; I1890-T1925 WeakPolarHBondContact CG2-O 3.49Å; I1890-V1926 HydrophobicContact CG1-CG2 4.27Å
1891T86.7Confident86.4Confident82 Ų8258.2 Ų58.250%0.50332%0.318SS..EExtended strand (participates in β ladder)trans-93-28-173.550.20000113.9N1889 T1925 S1927N1889-T1891 PolarHBondContact O-N 2.72Å; T1891-T1925 PolarHBondContact N-O 3.19Å; T1891-T1925 PolarHBondContact OG1-O 3.07Å; T1891-T1925 VanDerWaalsContact OG1-O 3.08Å; T1891-S1927 VanDerWaalsContact CG2-OG 3.27Å; T1891-S1927 WeakPolarHBondContact CG2-OG 3.35Å
1892A86.4Confident86.7Confident45.6 Ų45.657.8 Ų57.838%0.37730%0.302SS..EExtended strand (participates in β ladder)trans-147.1164.2179.200000112.8I1890 N1894 L1924 T1925I1890-A1892 WeakPolarHBondContact CG2-O 3.33Å; A1892-N1894 PolarHBondContact O-N 3.01Å; A1892-N1894 VanDerWaalsContact O-N 3.13Å; A1892-L1924 WeakPolarHBondContact O-CA 3.34Å; A1892-T1925 PolarHBondContact O-N 3.08Å; A1892-T1925 VanDerWaalsContact O-N 3.13Å
1893G84.5Confident86.9Confident36.8 Ų36.857.1 Ų57.138%0.37930%0.3SS..  trans78.7-9.4170.700000117.5R1895 R1923G1893-R1895 PolarHBondContact O-N 3.05Å; G1893-R1923 VanDerWaalsContact CA-O 3.3Å; G1893-R1923 WeakPolarHBondContact CA-O 3.35Å
1894N88.5Confident87Confident39.2 Ų39.261 Ų6121%0.2133%0.325CS..  trans-77.772.6178-167.46.4000112.5I1890 A1892 E1896 R1897 A1898 F1899 L1924I1890-N1894 HydrophobicContact CB-CB 4.14Å; I1890-N1894 HydrophobicContact CD1-CB 4.34Å; I1890-N1894 WeakPolarHBondContact CD1-ND2 3.47Å; I1890-N1894 HydrophobicContact CG2-CB 3.7Å; A1892-N1894 PolarHBondContact O-N 3.01Å; A1892-N1894 VanDerWaalsContact O-N 3.13Å; N1894-E1896 PolarHBondContact O-N 3.25Å; N1894-R1897 PolarHBondContact O-N 3.01Å; N1894-R1897 VanDerWaalsContact O-N 3.09Å; N1894-R1897 WeakPolarHBondContact OD1-CA 3.43Å; N1894-A1898 PolarHBondContact OD1-N 3.01Å; N1894-A1898 VanDerWaalsContact OD1-N 3.1Å; N1894-F1899 PolarHBondContact ND2-O 3.22Å; N1894-F1899 PolarHBondContact OD1-N 2.98Å; N1894-F1899 PolarHBondContact OD1-O 3.38Å; N1894-L1924 HydrophobicContact CB-CD2 3.83Å
1895R80.6Confident87.2Confident159.6 Ų159.662.1 Ų62.160%0.60233%0.328SS*.G310 helixtrans-57.4136.9178.2-68.5-179.7160.8177.2-0.9110.3G1893 R1897 A1898 I1919 Y1922G1893-R1895 PolarHBondContact O-N 3.05Å; R1895-R1897 PolarHBondContact O-N 3.09Å; R1895-A1898 WeakPolarHBondContact O-CB 3.35Å; R1895-A1898 PolarHBondContact O-N 2.89Å; R1895-A1898 VanDerWaalsContact O-N 3.08Å; R1895-I1919 HydrophobicContact CB-CD1 3.83Å; R1895-I1919 HydrophobicContact CB-CG2 4.42Å; R1895-I1919 HydrophobicContact CG-CD1 4.47Å; R1895-Y1922 HydrophobicContact CB-CD1 4.31Å; R1895-Y1922 HydrophobicContact CB-CE1 3.96Å; R1895-Y1922 VanDerWaalsContact O-CE1 3.29Å; R1895-Y1922 WeakPolarHBondContact O-CE1 3.47Å
1896E79.7Confident87.2Confident93.6 Ų93.657.9 Ų57.944%0.43731%0.306SS..G310 helixtrans54.99-176.7-63.6-176.2-157.500116.6N1894 A1898 R1912 R1918 I1919N1894-E1896 PolarHBondContact O-N 3.25Å; E1896-A1898 VanDerWaalsContact C-N 3.33Å; E1896-A1898 PolarHBondContact O-N 3.13Å; E1896-R1912 VanDerWaalsContact O-CD 3.3Å; E1896-R1912 WeakPolarHBondContact O-CD 3.37Å; E1896-R1912 VanDerWaalsContact O-CZ 3.3Å; E1896-R1912 PolarHBondContact O-NE 3.13Å; E1896-R1912 VanDerWaalsContact O-NE 3.09Å; E1896-R1912 PolarHBondContact O-NH1 2.93Å; E1896-R1912 IonicContact OE2-NH1 3.97Å; E1896-R1918 VanDerWaalsContact CD-NH1 3.31Å; E1896-R1918 VanDerWaalsContact CD-NH2 3.33Å; E1896-R1918 IonicContact OE1-CZ 3.25Å; E1896-R1918 IonicContact OE1-NE 3.04Å; E1896-R1918 IonicContact OE1-NH1 2.78Å; E1896-R1918 PolarHBondContact OE1-NH1 3.13Å; E1896-R1918 IonicContact OE1-NH2 3.25Å; E1896-R1918 PolarHBondContact OE1-NH2 3.14Å; E1896-R1918 IonicContact OE2-CZ 2.91Å; E1896-R1918 IonicContact OE2-NE 2.67Å; E1896-R1918 PolarHBondContact OE2-NE 3.38Å; E1896-R1918 IonicContact OE2-NH1 3.77Å; E1896-R1918 PolarHBondContact OE2-NH1 3.16Å; E1896-R1918 IonicContact OE2-NH2 3.37Å; E1896-R1918 PolarHBondContact OE2-NH2 3.15Å; E1896-R1918 VanDerWaalsContact OE2-NH2 3.17Å; E1896-I1919 HydrophobicContact CB-CD1 3.86Å; E1896-I1919 HydrophobicContact CG-CD1 3.54Å; E1896-I1919 VanDerWaalsContact OE1-CD1 3.25Å; E1896-I1919 WeakPolarHBondContact OE1-CD1 3.05Å
1897R85.5Confident87.4Confident184.8 Ų184.859 Ų5970%0.69731%0.312SS*.G310 helixtrans56.341.9-167.1-50.4179.6-178.1-178.1-0.1111.7N1894 R1895 F1899 N1911 R1912N1894-R1897 PolarHBondContact O-N 3.01Å; N1894-R1897 VanDerWaalsContact O-N 3.09Å; N1894-R1897 WeakPolarHBondContact OD1-CA 3.43Å; R1895-R1897 PolarHBondContact O-N 3.09Å; R1897-F1899 PolarHBondContact O-N 2.84Å; R1897-N1911 WeakPolarHBondContact O-CB 3.44Å; R1897-N1911 PolarHBondContact O-ND2 2.89Å; R1897-R1912 PolarHBondContact O-NE 2.85Å
1898A85.9Confident87.5Confident2.4 Ų2.457.4 Ų57.42%0.0230%0.302CS..  trans-58.5-28.9177.200000113N1894 R1895 E1896 N1911 R1912 L1914 Y1922 L1949N1894-A1898 PolarHBondContact OD1-N 3.01Å; N1894-A1898 VanDerWaalsContact OD1-N 3.1Å; R1895-A1898 WeakPolarHBondContact O-CB 3.35Å; R1895-A1898 PolarHBondContact O-N 2.89Å; R1895-A1898 VanDerWaalsContact O-N 3.08Å; E1896-A1898 VanDerWaalsContact C-N 3.33Å; E1896-A1898 PolarHBondContact O-N 3.13Å; A1898-N1911 WeakPolarHBondContact O-CA 3.28Å; A1898-N1911 VanDerWaalsContact O-CB 3.24Å; A1898-N1911 WeakPolarHBondContact O-CB 3.31Å; A1898-N1911 PolarHBondContact O-N 3.21Å; A1898-N1911 VanDerWaalsContact O-N 3.09Å; A1898-R1912 PolarHBondContact O-N 3.25Å; A1898-R1912 VanDerWaalsContact O-N 3.1Å; A1898-L1914 HydrophobicContact CB-CD2 3.87Å; A1898-L1914 WeakPolarHBondContact O-CD2 3.19Å; A1898-Y1922 HydrophobicContact CB-CD1 4.25Å; A1898-Y1922 HydrophobicContact CB-CE1 3.54Å; A1898-Y1922 VanDerWaalsContact CB-CE1 3.45Å; A1898-Y1922 WeakPolarHBondContact CB-OH 3.37Å; A1898-L1949 HydrophobicContact CB-CD2 4.16Å
1899F91.3Very high87.5Confident3.2 Ų3.257.9 Ų57.91%0.01431%0.307CS..EExtended strand (participates in β ladder)trans-116.8152.4178.1-59.2-82.6000112.5I1860 V1870 I1890 N1894 R1897 V1908 T1909 V1910 L1914 Y1922 L1924 V1947 S1948 L1949I1860-F1899 HydrophobicContact CD1-CE1 3.58Å; I1860-F1899 HydrophobicContact CD1-CZ 3.9Å; I1860-F1899 HydrophobicContact CG1-CE1 4.31Å; I1860-F1899 HydrophobicContact CG1-CZ 4.39Å; V1870-F1899 HydrophobicContact CB-CD1 4.44Å; V1870-F1899 HydrophobicContact CG1-CD1 4.28Å; V1870-F1899 HydrophobicContact CG1-CE1 4.27Å; V1870-F1899 HydrophobicContact CG2-CD1 3.88Å; V1870-F1899 HydrophobicContact CG2-CE1 3.82Å; I1890-F1899 HydrophobicContact CD1-CB 4.19Å; N1894-F1899 PolarHBondContact ND2-O 3.22Å; N1894-F1899 PolarHBondContact OD1-N 2.98Å; N1894-F1899 PolarHBondContact OD1-O 3.38Å; R1897-F1899 PolarHBondContact O-N 2.84Å; F1899-V1908 HydrophobicContact CB-CG1 4.12Å; F1899-V1908 HydrophobicContact CD1-CG1 4.1Å; F1899-V1908 HydrophobicContact CG-CG1 4.27Å; F1899-T1909 CarbonylContact C-O 3.54Å; F1899-T1909 VanDerWaalsContact CA-O 3.27Å; F1899-T1909 WeakPolarHBondContact CA-O 3.08Å; F1899-V1910 HydrophobicContact CD1-CG2 4.37Å; F1899-V1910 HydrophobicContact CE1-CG2 4.09Å; F1899-L1914 HydrophobicContact CE1-CD1 4.18Å; F1899-L1914 HydrophobicContact CE1-CD2 4.21Å; F1899-L1914 HydrophobicContact CE2-CD2 4Å; F1899-L1914 HydrophobicContact CZ-CD1 4.25Å; F1899-L1914 HydrophobicContact CZ-CD2 3.9Å; F1899-L1914 VanDerWaalsContact CZ-CD2 3.45Å; F1899-L1914 HydrophobicContact CZ-CG 4.39Å; F1899-Y1922 AromaticContact CD2-CD1 3.48Å; F1899-Y1922 HydrophobicContact CD2-CD1 4.06Å; F1899-Y1922 VanDerWaalsContact CD2-CD1 3.48Å; F1899-Y1922 HydrophobicContact CD2-CD2 4.22Å; F1899-Y1922 AromaticContact CD2-CE1 3.79Å; F1899-Y1922 HydrophobicContact CD2-CE1 4.11Å; F1899-Y1922 AromaticContact CD2-CG 3.72Å; F1899-Y1922 HydrophobicContact CD2-CG 4.1Å; F1899-Y1922 AromaticContact CE2-CD1 3.75Å; F1899-Y1922 HydrophobicContact CE2-CD1 3.75Å; F1899-Y1922 AromaticContact CE2-CD2 3.72Å; F1899-Y1922 HydrophobicContact CE2-CD2 3.8Å; F1899-Y1922 VanDerWaalsContact CE2-CD2 3.48Å; F1899-Y1922 AromaticContact CE2-CE1 3.88Å; F1899-Y1922 HydrophobicContact CE2-CE1 4.14Å; F1899-Y1922 AromaticContact CE2-CE2 3.8Å; F1899-Y1922 HydrophobicContact CE2-CE2 4.1Å; F1899-Y1922 AromaticContact CE2-CG 3.56Å; F1899-Y1922 HydrophobicContact CE2-CG 3.56Å; F1899-Y1922 VanDerWaalsContact CE2-CG 3.43Å; F1899-Y1922 AromaticContact CE2-CZ 3.86Å; F1899-Y1922 HydrophobicContact CZ-CD2 4.35Å; F1899-Y1922 HydrophobicContact CZ-CE2 4.4Å; F1899-Y1922 HydrophobicContact CZ-CG 4.38Å; F1899-L1924 HydrophobicContact CB-CD1 4.03Å; F1899-L1924 HydrophobicContact CD1-CD1 4.22Å; F1899-L1924 HydrophobicContact CD2-CD1 3.93Å; F1899-L1924 HydrophobicContact CD2-CD2 4.04Å; F1899-L1924 HydrophobicContact CD2-CG 4.35Å; F1899-L1924 HydrophobicContact CE2-CD1 4.41Å; F1899-L1924 HydrophobicContact CE2-CD2 4.45Å; F1899-L1924 HydrophobicContact CG-CD1 3.89Å; F1899-L1924 HydrophobicContact CG-CD2 4.4Å; F1899-V1947 HydrophobicContact CD1-CB 4.27Å; F1899-V1947 HydrophobicContact CD1-CG1 4.29Å; F1899-V1947 HydrophobicContact CD1-CG2 3.97Å; F1899-V1947 HydrophobicContact CD2-CB 4.32Å; F1899-V1947 HydrophobicContact CD2-CG2 4.17Å; F1899-V1947 HydrophobicContact CE1-CB 4.05Å; F1899-V1947 HydrophobicContact CE1-CG1 3.99Å; F1899-V1947 VanDerWaalsContact CE1-CG1 3.49Å; F1899-V1947 HydrophobicContact CE1-CG2 4.23Å; F1899-V1947 HydrophobicContact CE2-CB 3.8Å; F1899-V1947 HydrophobicContact CE2-CG1 4.42Å; F1899-V1947 HydrophobicContact CE2-CG2 4.15Å; F1899-V1947 HydrophobicContact CG-CG2 4.11Å; F1899-V1947 HydrophobicContact CZ-CB 4Å; F1899-V1947 VanDerWaalsContact CZ-CB 3.46Å; F1899-V1947 HydrophobicContact CZ-CG1 3.73Å; F1899-V1947 HydrophobicContact CZ-CG2 4.22Å; F1899-S1948 WeakPolarHBondContact CZ-O 3.22Å; F1899-L1949 HydrophobicContact CE2-CD2 3.79Å; F1899-L1949 HydrophobicContact CZ-CD2 3.79Å
1900F89.4Confident87.5Confident104.4 Ų104.453.8 Ų53.846%0.45829%0.285SS..EExtended strand (participates in β ladder)trans-123.9134.6172.5170.6-105.2000108.6N1902 V1908 T1909 N1911F1900-N1902 HydrophobicContact CD1-CB 4.14Å; F1900-N1902 HydrophobicContact CE1-CB 3.91Å; F1900-N1902 HydrophobicContact CZ-CB 4.18Å; F1900-N1902 PolarHBondContact O-N 2.85Å; F1900-V1908 CarbonylContact O-C 3.54Å; F1900-V1908 VanDerWaalsContact O-CA 3.25Å; F1900-V1908 WeakPolarHBondContact O-CA 3.37Å; F1900-T1909 PolarHBondContact N-O 3.02Å; F1900-T1909 PolarHBondContact O-N 2.85Å; F1900-T1909 VanDerWaalsContact O-N 3.08Å; F1900-T1909 PolarHBondContact O-OG1 2.9Å; F1900-N1911 HydrophobicContact CB-CB 3.84Å
1901I92.4Very high87.4Confident12 Ų1256 Ų566%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-108.4134167.4-166.2165000109.6V1873 F1888 N1889 I1890 A1903 I1907 V1908 V1926V1873-I1901 HydrophobicContact CB-CD1 4.19Å; V1873-I1901 HydrophobicContact CG2-CD1 4.08Å; F1888-I1901 HydrophobicContact CB-CD1 3.79Å; F1888-I1901 HydrophobicContact CB-CG1 4.13Å; F1888-I1901 HydrophobicContact CG-CD1 4.47Å; F1888-I1901 WeakPolarHBondContact O-CG2 3.4Å; N1889-I1901 VanDerWaalsContact CA-CG2 3.44Å; I1890-I1901 HydrophobicContact CB-CG2 4.29Å; I1890-I1901 HydrophobicContact CD1-CB 3.89Å; I1890-I1901 HydrophobicContact CD1-CG2 4.02Å; I1890-I1901 HydrophobicContact CG1-CB 3.97Å; I1890-I1901 HydrophobicContact CG1-CD1 4.21Å; I1890-I1901 HydrophobicContact CG1-CG2 3.74Å; I1901-A1903 PolarHBondContact O-N 3.23Å; I1901-A1903 VanDerWaalsContact O-N 3.1Å; I1901-I1907 CarbonylContact C-O 3.47Å; I1901-I1907 VanDerWaalsContact CA-O 3.28Å; I1901-I1907 WeakPolarHBondContact CA-O 3.26Å; I1901-V1908 HydrophobicContact CB-CG2 4.16Å; I1901-V1908 HydrophobicContact CD1-CG2 3.85Å; I1901-V1908 HydrophobicContact CG1-CG2 3.86Å; I1901-V1926 HydrophobicContact CD1-CG1 3.77Å; I1901-V1926 HydrophobicContact CD1-CG2 4.15Å
1902N88.6Confident87.2Confident54 Ų5457.6 Ų57.629%0.28929%0.293SS..  trans-74.8118.7172-177.1-37000109.7F1900 T1904 T1905 G1906 I1907F1900-N1902 HydrophobicContact CD1-CB 4.14Å; F1900-N1902 HydrophobicContact CE1-CB 3.91Å; F1900-N1902 HydrophobicContact CZ-CB 4.18Å; F1900-N1902 PolarHBondContact O-N 2.85Å; N1902-T1904 VanDerWaalsContact C-N 3.3Å; N1902-T1904 PolarHBondContact O-N 3.16Å; N1902-T1904 VanDerWaalsContact O-N 3.14Å; N1902-T1904 PolarHBondContact OD1-N 3.24Å; N1902-T1904 PolarHBondContact OD1-OG1 3.21Å; N1902-T1904 VanDerWaalsContact OD1-OG1 3.1Å; N1902-T1905 VanDerWaalsContact CB-OG1 3.24Å; N1902-T1905 WeakPolarHBondContact CB-OG1 3.36Å; N1902-T1905 VanDerWaalsContact CG-OG1 3.24Å; N1902-T1905 PolarHBondContact ND2-OG1 2.72Å; N1902-T1905 PolarHBondContact O-N 3.19Å; N1902-T1905 PolarHBondContact OD1-N 3.13Å; N1902-T1905 VanDerWaalsContact OD1-N 3.13Å; N1902-T1905 PolarHBondContact OD1-OG1 3.01Å; N1902-G1906 WeakPolarHBondContact O-CA 3.27Å; N1902-G1906 PolarHBondContact O-N 2.99Å; N1902-I1907 HydrophobicContact CB-CB 4.42Å; N1902-I1907 WeakPolarHBondContact CB-O 3.39Å; N1902-I1907 PolarHBondContact N-O 3.17Å; N1902-I1907 VanDerWaalsContact N-O 3.11Å
1903A87Confident87Confident45.2 Ų45.260.1 Ų60.137%0.37431%0.306SS..THydrogen-bonded Turntrans-62.3-24.1-172.900000114.7T1887 F1888 I1901T1887-A1903 CarbonylContact C-O 3.38Å; T1887-A1903 VanDerWaalsContact CA-O 3.27Å; T1887-A1903 WeakPolarHBondContact CA-O 3.4Å; T1887-A1903 HydrophobicContact CG2-CB 4.4Å; F1888-A1903 WeakPolarHBondContact CD2-O 3.22Å; F1888-A1903 PolarHBondContact N-O 3.21Å; F1888-A1903 VanDerWaalsContact O-CA 3.29Å; F1888-A1903 WeakPolarHBondContact O-CA 3.32Å; F1888-A1903 WeakPolarHBondContact O-CB 3.35Å; I1901-A1903 PolarHBondContact O-N 3.23Å; I1901-A1903 VanDerWaalsContact O-N 3.1Å
1904T84.6Confident86.9Confident103.6 Ų103.659 Ų5964%0.63629%0.291SS*.THydrogen-bonded Turntrans-104.8-21.7179.853.20000113.9L1885 N1902L1885-T1904 HydrophobicContact CD1-CG2 3.88Å; N1902-T1904 VanDerWaalsContact C-N 3.3Å; N1902-T1904 PolarHBondContact O-N 3.16Å; N1902-T1904 VanDerWaalsContact O-N 3.14Å; N1902-T1904 PolarHBondContact OD1-N 3.24Å; N1902-T1904 PolarHBondContact OD1-OG1 3.21Å; N1902-T1904 VanDerWaalsContact OD1-OG1 3.1Å
1905T86.1Confident86.5Confident54.8 Ų54.859.8 Ų59.834%0.33630%0.296SS..THydrogen-bonded Turntrans-113.1-6-17776.30000114.2H1872 N1902 I1907H1872-T1905 PolarHBondContact CD2-O 3.02Å; H1872-T1905 VanDerWaalsContact CD2-O 3.23Å; H1872-T1905 PolarHBondContact NE2-O 3.07Å; H1872-T1905 VanDerWaalsContact NE2-O 3.14Å; N1902-T1905 VanDerWaalsContact CB-OG1 3.24Å; N1902-T1905 WeakPolarHBondContact CB-OG1 3.36Å; N1902-T1905 VanDerWaalsContact CG-OG1 3.24Å; N1902-T1905 PolarHBondContact ND2-OG1 2.72Å; N1902-T1905 PolarHBondContact O-N 3.19Å; N1902-T1905 PolarHBondContact OD1-N 3.13Å; N1902-T1905 VanDerWaalsContact OD1-N 3.13Å; N1902-T1905 PolarHBondContact OD1-OG1 3.01Å; T1905-I1907 VanDerWaalsContact C-N 3.33Å; T1905-I1907 PolarHBondContact O-N 2.98Å; T1905-I1907 WeakPolarHBondContact OG1-CB 3.46Å; T1905-I1907 WeakPolarHBondContact OG1-CG1 3.27Å; T1905-I1907 PolarHBondContact OG1-N 2.94Å
1906G87.3Confident86.5Confident0 Ų054.7 Ų54.70%028%0.276CS..  trans65.77.7-179.700000115.4H1872 V1873 F1888 N1902 V1908H1872-G1906 CarbonylContact C-O 3.41Å; H1872-G1906 WeakPolarHBondContact CA-O 3.45Å; V1873-G1906 VanDerWaalsContact CB-O 3.3Å; V1873-G1906 WeakPolarHBondContact CB-O 3.43Å; V1873-G1906 WeakPolarHBondContact CG2-O 3.32Å; V1873-G1906 PolarHBondContact N-O 3.06Å; F1888-G1906 VanDerWaalsContact CD2-CA 3.44Å; F1888-G1906 VanDerWaalsContact CD2-N 3.34Å; N1902-G1906 WeakPolarHBondContact O-CA 3.27Å; N1902-G1906 PolarHBondContact O-N 2.99Å; G1906-V1908 PolarHBondContact O-N 3.09Å
1907I91.4Very high86.4Confident58 Ų5854.4 Ų54.430%0.29728%0.275SS..EExtended strand (participates in β ladder)trans-78.5124.9-179.4-64.3172.6000109.7F1869 A1871 H1872 I1901 N1902 T1905 T1909F1869-I1907 HydrophobicContact CD2-CG2 3.86Å; F1869-I1907 HydrophobicContact CE2-CG1 4.45Å; F1869-I1907 HydrophobicContact CE2-CG2 3.94Å; A1871-I1907 CarbonylContact O-C 3.59Å; A1871-I1907 VanDerWaalsContact O-CA 3.26Å; A1871-I1907 WeakPolarHBondContact O-CA 3.49Å; H1872-I1907 HydrophobicContact CB-CG1 4.45Å; H1872-I1907 VanDerWaalsContact CD2-CG1 3.5Å; H1872-I1907 WeakPolarHBondContact CD2-CG1 3.4Å; I1901-I1907 CarbonylContact C-O 3.47Å; I1901-I1907 VanDerWaalsContact CA-O 3.28Å; I1901-I1907 WeakPolarHBondContact CA-O 3.26Å; N1902-I1907 HydrophobicContact CB-CB 4.42Å; N1902-I1907 WeakPolarHBondContact CB-O 3.39Å; N1902-I1907 PolarHBondContact N-O 3.17Å; N1902-I1907 VanDerWaalsContact N-O 3.11Å; T1905-I1907 VanDerWaalsContact C-N 3.33Å; T1905-I1907 PolarHBondContact O-N 2.98Å; T1905-I1907 WeakPolarHBondContact OG1-CB 3.46Å; T1905-I1907 WeakPolarHBondContact OG1-CG1 3.27Å; T1905-I1907 PolarHBondContact OG1-N 2.94Å; I1907-T1909 HydrophobicContact CG2-CG2 4.1Å
1908V90.7Very high86Confident0 Ų052.5 Ų52.50%027%0.268CS..EExtended strand (participates in β ladder)trans-95.6131.1174.2-173.60000110V1870 A1871 V1873 I1890 F1899 F1900 I1901 G1906 L1924 L1945V1870-V1908 WeakPolarHBondContact CA-O 2.97Å; V1870-V1908 HydrophobicContact CB-CB 4.25Å; V1870-V1908 HydrophobicContact CB-CG1 4.06Å; V1870-V1908 VanDerWaalsContact CB-O 3.23Å; V1870-V1908 WeakPolarHBondContact CB-O 3.24Å; V1870-V1908 HydrophobicContact CG1-CB 4.26Å; V1870-V1908 HydrophobicContact CG1-CG1 4.1Å; V1870-V1908 HydrophobicContact CG2-CG1 4.39Å; V1870-V1908 PolarHBondContact N-O 3.19Å; A1871-V1908 HydrophobicContact CB-CB 4.26Å; A1871-V1908 HydrophobicContact CB-CG2 4.13Å; A1871-V1908 PolarHBondContact N-O 3.05Å; A1871-V1908 PolarHBondContact O-N 3.09Å; V1873-V1908 HydrophobicContact CG2-CG2 4.1Å; I1890-V1908 HydrophobicContact CD1-CG1 4.45Å; F1899-V1908 HydrophobicContact CB-CG1 4.12Å; F1899-V1908 HydrophobicContact CD1-CG1 4.1Å; F1899-V1908 HydrophobicContact CG-CG1 4.27Å; F1900-V1908 CarbonylContact O-C 3.54Å; F1900-V1908 VanDerWaalsContact O-CA 3.25Å; F1900-V1908 WeakPolarHBondContact O-CA 3.37Å; I1901-V1908 HydrophobicContact CB-CG2 4.16Å; I1901-V1908 HydrophobicContact CD1-CG2 3.85Å; I1901-V1908 HydrophobicContact CG1-CG2 3.86Å; G1906-V1908 PolarHBondContact O-N 3.09Å; V1908-L1924 HydrophobicContact CG1-CD1 4.4Å; V1908-L1945 HydrophobicContact CB-CD2 4.4Å; V1908-L1945 HydrophobicContact CG1-CD2 4.28Å; V1908-L1945 HydrophobicContact CG2-CD2 4Å
1909T91.3Very high85.7Confident29.4 Ų29.453.2 Ų53.218%0.1827%0.271CS..EExtended strand (participates in β ladder)trans-133156.8177.358.30000112.1S1868 F1899 F1900 I1907 N1911S1868-T1909 CarbonylContact O-C 3.43Å; S1868-T1909 VanDerWaalsContact O-CA 3.28Å; S1868-T1909 WeakPolarHBondContact O-CA 3.37Å; S1868-T1909 VanDerWaalsContact O-CB 3.29Å; S1868-T1909 WeakPolarHBondContact O-CB 3.33Å; F1899-T1909 CarbonylContact C-O 3.54Å; F1899-T1909 VanDerWaalsContact CA-O 3.27Å; F1899-T1909 WeakPolarHBondContact CA-O 3.08Å; F1900-T1909 PolarHBondContact N-O 3.02Å; F1900-T1909 PolarHBondContact O-N 2.85Å; F1900-T1909 VanDerWaalsContact O-N 3.08Å; F1900-T1909 PolarHBondContact O-OG1 2.9Å; I1907-T1909 HydrophobicContact CG2-CG2 4.1Å; T1909-N1911 PolarHBondContact O-N 3.21Å
1910V89.2Confident85.3Confident1.2 Ų1.256.8 Ų56.81%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-61.9130.3166178.40000110.3I1860 S1867 S1868 V1870 F1899 R1912 L1914I1860-V1910 HydrophobicContact CD1-CG2 3.58Å; S1867-V1910 VanDerWaalsContact CA-O 3.28Å; S1867-V1910 WeakPolarHBondContact CA-O 3.33Å; S1867-V1910 PolarHBondContact N-O 2.94Å; S1868-V1910 WeakPolarHBondContact O-CG2 3.19Å; S1868-V1910 PolarHBondContact O-N 3.05Å; S1868-V1910 VanDerWaalsContact OG-CB 3.24Å; S1868-V1910 WeakPolarHBondContact OG-CB 3.24Å; S1868-V1910 WeakPolarHBondContact OG-CG2 3.32Å; V1870-V1910 HydrophobicContact CG2-CG2 3.76Å; F1899-V1910 HydrophobicContact CD1-CG2 4.37Å; F1899-V1910 HydrophobicContact CE1-CG2 4.09Å; V1910-R1912 VanDerWaalsContact CG1-O 3.26Å; V1910-R1912 WeakPolarHBondContact CG1-O 3.36Å; V1910-L1914 HydrophobicContact CB-CD1 4.12Å; V1910-L1914 HydrophobicContact CB-CG 4.34Å; V1910-L1914 HydrophobicContact CG1-CB 4.12Å; V1910-L1914 HydrophobicContact CG1-CD1 4.02Å; V1910-L1914 HydrophobicContact CG1-CD2 4.29Å; V1910-L1914 HydrophobicContact CG1-CG 3.87Å; V1910-L1914 HydrophobicContact CG2-CD1 3.59Å; V1910-L1914 VanDerWaalsContact CG2-CD1 3.42Å; V1910-L1914 HydrophobicContact CG2-CG 4.25Å
1911N88.1Confident85.1Confident65.8 Ų65.855.8 Ų55.835%0.35229%0.291SS..  trans-111.4-19.3-175.9-173.947.9000113.2V1866 R1897 A1898 F1900 T1909V1866-N1911 VanDerWaalsContact CG1-O 3.27Å; V1866-N1911 WeakPolarHBondContact CG1-O 3.39Å; R1897-N1911 WeakPolarHBondContact O-CB 3.44Å; R1897-N1911 PolarHBondContact O-ND2 2.89Å; A1898-N1911 WeakPolarHBondContact O-CA 3.28Å; A1898-N1911 VanDerWaalsContact O-CB 3.24Å; A1898-N1911 WeakPolarHBondContact O-CB 3.31Å; A1898-N1911 PolarHBondContact O-N 3.21Å; A1898-N1911 VanDerWaalsContact O-N 3.09Å; F1900-N1911 HydrophobicContact CB-CB 3.84Å; T1909-N1911 PolarHBondContact O-N 3.21Å
1912R83.1Confident84.9Confident115.4 Ų115.455.7 Ų55.744%0.43529%0.29SS..SBendtrans-141.1161-179.9-66.8-175.7178.4-131-10.2110.1E1896 R1897 A1898 V1910 L1914E1896-R1912 VanDerWaalsContact O-CD 3.3Å; E1896-R1912 WeakPolarHBondContact O-CD 3.37Å; E1896-R1912 VanDerWaalsContact O-CZ 3.3Å; E1896-R1912 PolarHBondContact O-NE 3.13Å; E1896-R1912 VanDerWaalsContact O-NE 3.09Å; E1896-R1912 PolarHBondContact O-NH1 2.93Å; E1896-R1912 IonicContact OE2-NH1 3.97Å; R1897-R1912 PolarHBondContact O-NE 2.85Å; A1898-R1912 PolarHBondContact O-N 3.25Å; A1898-R1912 VanDerWaalsContact O-N 3.1Å; V1910-R1912 VanDerWaalsContact CG1-O 3.26Å; V1910-R1912 WeakPolarHBondContact CG1-O 3.36Å; R1912-L1914 VanDerWaalsContact C-N 3.34Å; R1912-L1914 WeakPolarHBondContact O-CA 3.18Å; R1912-L1914 PolarHBondContact O-N 3.15Å
1913P81.7Confident84.9Confident98.4 Ų98.459.5 Ų59.564%0.63930%0.301SS*.  trans-52.4141.4162.7-21.533.5000109.9E1862 V1866 D1915E1862-P1913 VanDerWaalsContact OE1-C 3.27Å; V1866-P1913 HydrophobicContact CG2-CG 4.19Å; P1913-D1915 PolarHBondContact O-N 2.78Å
1914L81.8Confident85.1Confident13.2 Ų13.257.3 Ų57.37%0.06928%0.283CS..  trans-106.6143.9-174.8-69.8173.9000109.5I1860 S1861 E1862 A1898 F1899 V1910 R1912 R1916 Y1922 L1949I1860-L1914 HydrophobicContact CD1-CD1 3.35Å; I1860-L1914 VanDerWaalsContact CD1-CD1 3.43Å; I1860-L1914 HydrophobicContact CG1-CD1 4.11Å; I1860-L1914 HydrophobicContact CG2-CD1 4.1Å; S1861-L1914 WeakPolarHBondContact O-CD1 3.26Å; E1862-L1914 HydrophobicContact CB-CB 3.97Å; E1862-L1914 VanDerWaalsContact CB-CB 3.42Å; E1862-L1914 HydrophobicContact CG-CB 4.08Å; E1862-L1914 PolarHBondContact OE1-N 3.12Å; E1862-L1914 VanDerWaalsContact OE1-N 3.1Å; A1898-L1914 HydrophobicContact CB-CD2 3.87Å; A1898-L1914 WeakPolarHBondContact O-CD2 3.19Å; F1899-L1914 HydrophobicContact CE1-CD1 4.18Å; F1899-L1914 HydrophobicContact CE1-CD2 4.21Å; F1899-L1914 HydrophobicContact CE2-CD2 4Å; F1899-L1914 HydrophobicContact CZ-CD1 4.25Å; F1899-L1914 HydrophobicContact CZ-CD2 3.9Å; F1899-L1914 VanDerWaalsContact CZ-CD2 3.45Å; F1899-L1914 HydrophobicContact CZ-CG 4.39Å; V1910-L1914 HydrophobicContact CB-CD1 4.12Å; V1910-L1914 HydrophobicContact CB-CG 4.34Å; V1910-L1914 HydrophobicContact CG1-CB 4.12Å; V1910-L1914 HydrophobicContact CG1-CD1 4.02Å; V1910-L1914 HydrophobicContact CG1-CD2 4.29Å; V1910-L1914 HydrophobicContact CG1-CG 3.87Å; V1910-L1914 HydrophobicContact CG2-CD1 3.59Å; V1910-L1914 VanDerWaalsContact CG2-CD1 3.42Å; V1910-L1914 HydrophobicContact CG2-CG 4.25Å; R1912-L1914 VanDerWaalsContact C-N 3.34Å; R1912-L1914 WeakPolarHBondContact O-CA 3.18Å; R1912-L1914 PolarHBondContact O-N 3.15Å; L1914-R1916 PolarHBondContact O-N 2.67Å; L1914-Y1922 HydrophobicContact CD2-CE2 4.27Å; L1914-L1949 HydrophobicContact CB-CB 4.34Å; L1914-L1949 HydrophobicContact CB-CD1 3.93Å; L1914-L1949 HydrophobicContact CB-CD2 4.29Å; L1914-L1949 HydrophobicContact CD1-CB 4.4Å; L1914-L1949 HydrophobicContact CD1-CD2 3.88Å; L1914-L1949 HydrophobicContact CD2-CB 4.31Å; L1914-L1949 HydrophobicContact CD2-CD1 4.1Å; L1914-L1949 HydrophobicContact CD2-CD2 3.97Å; L1914-L1949 HydrophobicContact CD2-CG 4.17Å; L1914-L1949 HydrophobicContact CG-CD2 4.37Å; L1914-L1949 WeakPolarHBondContact O-CB 2.99Å; L1914-L1949 VanDerWaalsContact O-CD1 3.26Å; L1914-L1949 WeakPolarHBondContact O-CD1 3.31Å
1915D80.6Confident85.3Confident56.6 Ų56.653.8 Ų53.830%0.30326%0.261SS..  trans-147.5107.9-167.6165.9-11000107.2E1862 P1913 E1917 R1918 I1919E1862-D1915 VanDerWaalsContact CD-CA 3.43Å; E1862-D1915 WeakPolarHBondContact OE1-CA 3.24Å; E1862-D1915 PolarHBondContact OE1-N 3.46Å; E1862-D1915 WeakPolarHBondContact OE2-CA 3.21Å; E1862-D1915 PolarHBondContact OE2-N 2.94Å; P1913-D1915 PolarHBondContact O-N 2.78Å; D1915-E1917 VanDerWaalsContact C-N 3.35Å; D1915-E1917 PolarHBondContact O-N 2.97Å; D1915-E1917 WeakPolarHBondContact OD1-CA 3.38Å; D1915-E1917 WeakPolarHBondContact OD1-CB 3.16Å; D1915-E1917 VanDerWaalsContact OD1-CG 3.31Å; D1915-E1917 WeakPolarHBondContact OD1-CG 3.4Å; D1915-E1917 PolarHBondContact OD1-N 2.98Å; D1915-R1918 HydrophobicContact CB-CB 4.39Å; D1915-R1918 VanDerWaalsContact CG-CD 3.42Å; D1915-R1918 VanDerWaalsContact CG-NH1 3.34Å; D1915-R1918 PolarHBondContact O-N 3.5Å; D1915-R1918 WeakPolarHBondContact OD1-CB 3.31Å; D1915-R1918 PolarHBondContact OD1-N 3.11Å; D1915-R1918 VanDerWaalsContact OD2-CB 3.3Å; D1915-R1918 WeakPolarHBondContact OD2-CB 3.14Å; D1915-R1918 VanDerWaalsContact OD2-CD 3.25Å; D1915-R1918 WeakPolarHBondContact OD2-CD 3.33Å; D1915-R1918 WeakPolarHBondContact OD2-CG 3.34Å; D1915-R1918 IonicContact OD2-CZ 3.17Å; D1915-R1918 IonicContact OD2-NE 2.76Å; D1915-R1918 PolarHBondContact OD2-NE 3.46Å; D1915-R1918 VanDerWaalsContact OD2-NE 3.17Å; D1915-R1918 IonicContact OD2-NH1 3.94Å; D1915-R1918 PolarHBondContact OD2-NH1 3.46Å; D1915-I1919 PolarHBondContact O-N 3.09Å; D1915-I1919 VanDerWaalsContact O-N 3.11Å
1916R80.1Confident85.5Confident51.8 Ų51.851.2 Ų51.220%0.19525%0.245CC..THydrogen-bonded Turntrans-74.6-35.2-175.1-173.6-155.768.2108.40.7111.4E1862 L1914 R1918 I1919 P1920 L1949 A1950 D1951 A1990 E1992E1862-R1916 HydrophobicContact CB-CB 4.3Å; E1862-R1916 VanDerWaalsContact OE2-CB 3.25Å; E1862-R1916 WeakPolarHBondContact OE2-CB 3.31Å; E1862-R1916 PolarHBondContact OE2-N 2.98Å; L1914-R1916 PolarHBondContact O-N 2.67Å; R1916-R1918 PolarHBondContact O-N 2.85Å; R1916-R1918 VanDerWaalsContact O-N 3.1Å; R1916-I1919 CarbonylContact O-C 3.45Å; R1916-I1919 VanDerWaalsContact O-C 3.25Å; R1916-I1919 PolarHBondContact O-N 3.31Å; R1916-I1919 VanDerWaalsContact O-N 3.14Å; R1916-P1920 HydrophobicContact CG-CB 4.01Å; R1916-P1920 WeakPolarHBondContact O-CA 3.4Å; R1916-P1920 WeakPolarHBondContact O-CB 3.14Å; R1916-P1920 VanDerWaalsContact O-CD 3.25Å; R1916-P1920 WeakPolarHBondContact O-CD 3.29Å; R1916-L1949 HydrophobicContact CB-CB 4.04Å; R1916-L1949 HydrophobicContact CB-CD1 4.26Å; R1916-L1949 WeakPolarHBondContact CD-O 3.28Å; R1916-L1949 HydrophobicContact CG-CB 3.99Å; R1916-A1950 WeakPolarHBondContact CB-O 3.29Å; R1916-A1950 WeakPolarHBondContact CD-O 3.17Å; R1916-A1950 PolarHBondContact NE-O 2.86Å; R1916-D1951 IonicContact CZ-OD1 3.43Å; R1916-D1951 IonicContact NE-OD1 3.48Å; R1916-D1951 PolarHBondContact NE-OD1 2.92Å; R1916-D1951 VanDerWaalsContact NE-OD1 3.08Å; R1916-D1951 IonicContact NE-OD2 3.93Å; R1916-D1951 IonicContact NH1-OD1 3.33Å; R1916-D1951 PolarHBondContact NH1-OD1 3.1Å; R1916-D1951 IonicContact NH2-OD1 3.42Å; R1916-D1951 PolarHBondContact NH2-OD1 3.19Å; R1916-D1951 VanDerWaalsContact NH2-OD1 3.14Å; R1916-A1990 PolarHBondContact NH2-O 2.94Å; R1916-E1992 IonicContact CZ-OE1 3.55Å; R1916-E1992 IonicContact CZ-OE2 3.1Å; R1916-E1992 IonicContact NH1-OE1 3.54Å; R1916-E1992 PolarHBondContact NH1-OE1 2.84Å; R1916-E1992 IonicContact NH1-OE2 3.51Å; R1916-E1992 PolarHBondContact NH1-OE2 3.15Å; R1916-E1992 IonicContact NH2-OE1 3.6Å; R1916-E1992 IonicContact NH2-OE2 2.73Å
1917E77.8Confident85.6Confident88.2 Ų88.251.8 Ų51.841%0.41225%0.249SC..THydrogen-bonded Turntrans-60.4-24.3178.2-64.539.8-97.900110.7E1862 D1915 N1955 A1990E1862-E1917 VanDerWaalsContact OE2-OE2 3.12Å; D1915-E1917 VanDerWaalsContact C-N 3.35Å; D1915-E1917 PolarHBondContact O-N 2.97Å; D1915-E1917 WeakPolarHBondContact OD1-CA 3.38Å; D1915-E1917 WeakPolarHBondContact OD1-CB 3.16Å; D1915-E1917 VanDerWaalsContact OD1-CG 3.31Å; D1915-E1917 WeakPolarHBondContact OD1-CG 3.4Å; D1915-E1917 PolarHBondContact OD1-N 2.98Å; E1917-N1955 VanDerWaalsContact CD-ND2 3.31Å; E1917-N1955 VanDerWaalsContact CG-ND2 3.32Å; E1917-N1955 WeakPolarHBondContact CG-ND2 3.47Å; E1917-N1955 PolarHBondContact OE1-ND2 3.11Å; E1917-N1955 PolarHBondContact OE2-ND2 3.12Å; E1917-A1990 HydrophobicContact CG-CB 3.87Å
1918R77.2Confident85.6Confident145.8 Ų145.849 Ų4955%0.5524%0.235SC*.THydrogen-bonded Turntrans-93.4-47.4173.1-128.1161.3107.5152.4-5.7115.1E1896 D1915 R1916E1896-R1918 VanDerWaalsContact CD-NH1 3.31Å; E1896-R1918 VanDerWaalsContact CD-NH2 3.33Å; E1896-R1918 IonicContact OE1-CZ 3.25Å; E1896-R1918 IonicContact OE1-NE 3.04Å; E1896-R1918 IonicContact OE1-NH1 2.78Å; E1896-R1918 PolarHBondContact OE1-NH1 3.13Å; E1896-R1918 IonicContact OE1-NH2 3.25Å; E1896-R1918 PolarHBondContact OE1-NH2 3.14Å; E1896-R1918 IonicContact OE2-CZ 2.91Å; E1896-R1918 IonicContact OE2-NE 2.67Å; E1896-R1918 PolarHBondContact OE2-NE 3.38Å; E1896-R1918 IonicContact OE2-NH1 3.77Å; E1896-R1918 PolarHBondContact OE2-NH1 3.16Å; E1896-R1918 IonicContact OE2-NH2 3.37Å; E1896-R1918 PolarHBondContact OE2-NH2 3.15Å; E1896-R1918 VanDerWaalsContact OE2-NH2 3.17Å; D1915-R1918 HydrophobicContact CB-CB 4.39Å; D1915-R1918 VanDerWaalsContact CG-CD 3.42Å; D1915-R1918 VanDerWaalsContact CG-NH1 3.34Å; D1915-R1918 PolarHBondContact O-N 3.5Å; D1915-R1918 WeakPolarHBondContact OD1-CB 3.31Å; D1915-R1918 PolarHBondContact OD1-N 3.11Å; D1915-R1918 VanDerWaalsContact OD2-CB 3.3Å; D1915-R1918 WeakPolarHBondContact OD2-CB 3.14Å; D1915-R1918 VanDerWaalsContact OD2-CD 3.25Å; D1915-R1918 WeakPolarHBondContact OD2-CD 3.33Å; D1915-R1918 WeakPolarHBondContact OD2-CG 3.34Å; D1915-R1918 IonicContact OD2-CZ 3.17Å; D1915-R1918 IonicContact OD2-NE 2.76Å; D1915-R1918 PolarHBondContact OD2-NE 3.46Å; D1915-R1918 VanDerWaalsContact OD2-NE 3.17Å; D1915-R1918 IonicContact OD2-NH1 3.94Å; D1915-R1918 PolarHBondContact OD2-NH1 3.46Å; R1916-R1918 PolarHBondContact O-N 2.85Å; R1916-R1918 VanDerWaalsContact O-N 3.1Å
1919I80.7Confident85.5Confident15.4 Ų15.453 Ų538%0.07925%0.253CS..  trans-143.5106.7-175-53.4174.8000112.2R1895 E1896 D1915 R1916 E1921 Y1922 L1949R1895-I1919 HydrophobicContact CB-CD1 3.83Å; R1895-I1919 HydrophobicContact CB-CG2 4.42Å; R1895-I1919 HydrophobicContact CG-CD1 4.47Å; E1896-I1919 HydrophobicContact CB-CD1 3.86Å; E1896-I1919 HydrophobicContact CG-CD1 3.54Å; E1896-I1919 VanDerWaalsContact OE1-CD1 3.25Å; E1896-I1919 WeakPolarHBondContact OE1-CD1 3.05Å; D1915-I1919 PolarHBondContact O-N 3.09Å; D1915-I1919 VanDerWaalsContact O-N 3.11Å; R1916-I1919 CarbonylContact O-C 3.45Å; R1916-I1919 VanDerWaalsContact O-C 3.25Å; R1916-I1919 PolarHBondContact O-N 3.31Å; R1916-I1919 VanDerWaalsContact O-N 3.14Å; I1919-E1921 VanDerWaalsContact C-N 3.34Å; I1919-E1921 WeakPolarHBondContact CG2-O 3.4Å; I1919-E1921 PolarHBondContact O-N 2.97Å; I1919-Y1922 HydrophobicContact CB-CD2 4.46Å; I1919-Y1922 HydrophobicContact CB-CE1 4.32Å; I1919-Y1922 HydrophobicContact CB-CE2 4.02Å; I1919-Y1922 WeakPolarHBondContact CB-OH 3.19Å; I1919-Y1922 HydrophobicContact CD1-CE1 4.11Å; I1919-Y1922 WeakPolarHBondContact CD1-OH 3.18Å; I1919-Y1922 HydrophobicContact CG2-CD1 4.28Å; I1919-Y1922 HydrophobicContact CG2-CD2 3.91Å; I1919-Y1922 HydrophobicContact CG2-CE1 4.14Å; I1919-Y1922 HydrophobicContact CG2-CE2 3.67Å; I1919-Y1922 HydrophobicContact CG2-CG 4.23Å; I1919-Y1922 VanDerWaalsContact CG2-OH 3.23Å; I1919-Y1922 WeakPolarHBondContact CG2-OH 3.46Å; I1919-Y1922 WeakPolarHBondContact O-CE2 3.35Å; I1919-L1949 HydrophobicContact CB-CD1 4.14Å; I1919-L1949 WeakPolarHBondContact O-CD1 3.31Å; I1919-L1949 WeakPolarHBondContact O-CG 3.14Å
1920P81.4Confident85.4Confident80.6 Ų80.651.6 Ų51.652%0.52324%0.244SC..SBendtrans-86.1-21.9-177.231.1-35000115.9R1916 S1948 L1949R1916-P1920 HydrophobicContact CG-CB 4.01Å; R1916-P1920 WeakPolarHBondContact O-CA 3.4Å; R1916-P1920 WeakPolarHBondContact O-CB 3.14Å; R1916-P1920 VanDerWaalsContact O-CD 3.25Å; R1916-P1920 WeakPolarHBondContact O-CD 3.29Å; P1920-S1948 WeakPolarHBondContact O-CA 3.27Å; P1920-S1948 VanDerWaalsContact O-CB 3.29Å; P1920-S1948 WeakPolarHBondContact O-CB 3.44Å; P1920-L1949 PolarHBondContact O-N 2.92Å
1921E86.2Confident85.2Confident81.8 Ų81.852 Ų5238%0.38225%0.246SC..EExtended strand (participates in β ladder)trans-141.3137.4-177.8-152.3-167.8-114.600112.5I1919 R1923 L1946 V1947I1919-E1921 VanDerWaalsContact C-N 3.34Å; I1919-E1921 WeakPolarHBondContact CG2-O 3.4Å; I1919-E1921 PolarHBondContact O-N 2.97Å; E1921-R1923 IonicContact OE1-NH2 3.16Å; E1921-R1923 PolarHBondContact OE1-NH2 2.82Å; E1921-R1923 IonicContact OE2-CZ 3.67Å; E1921-R1923 IonicContact OE2-NE 3.04Å; E1921-R1923 PolarHBondContact OE2-NE 3.06Å; E1921-R1923 IonicContact OE2-NH2 2.92Å; E1921-R1923 PolarHBondContact OE2-NH2 3.07Å; E1921-L1946 HydrophobicContact CB-CD1 4.15Å; E1921-L1946 HydrophobicContact CG-CD1 4.23Å; E1921-L1946 HydrophobicContact CG-CD2 4.28Å; E1921-L1946 HydrophobicContact CG-CG 4.18Å; E1921-L1946 VanDerWaalsContact OE1-CD2 3.3Å; E1921-L1946 WeakPolarHBondContact OE1-CD2 3.19Å; E1921-V1947 CarbonylContact C-O 3.4Å; E1921-V1947 WeakPolarHBondContact CA-O 3.3Å; E1921-V1947 WeakPolarHBondContact CG-O 3.33Å
1922Y88.2Confident84.7Confident9.6 Ų9.651.4 Ų51.44%0.03825%0.246CC..EExtended strand (participates in β ladder)trans-118.9130.1176.1-67.3-102.5000111.2R1895 A1898 F1899 L1914 I1919 L1924 L1945 L1946 V1947 L1949R1895-Y1922 HydrophobicContact CB-CD1 4.31Å; R1895-Y1922 HydrophobicContact CB-CE1 3.96Å; R1895-Y1922 VanDerWaalsContact O-CE1 3.29Å; R1895-Y1922 WeakPolarHBondContact O-CE1 3.47Å; A1898-Y1922 HydrophobicContact CB-CD1 4.25Å; A1898-Y1922 HydrophobicContact CB-CE1 3.54Å; A1898-Y1922 VanDerWaalsContact CB-CE1 3.45Å; A1898-Y1922 WeakPolarHBondContact CB-OH 3.37Å; F1899-Y1922 AromaticContact CD2-CD1 3.48Å; F1899-Y1922 HydrophobicContact CD2-CD1 4.06Å; F1899-Y1922 VanDerWaalsContact CD2-CD1 3.48Å; F1899-Y1922 HydrophobicContact CD2-CD2 4.22Å; F1899-Y1922 AromaticContact CD2-CE1 3.79Å; F1899-Y1922 HydrophobicContact CD2-CE1 4.11Å; F1899-Y1922 AromaticContact CD2-CG 3.72Å; F1899-Y1922 HydrophobicContact CD2-CG 4.1Å; F1899-Y1922 AromaticContact CE2-CD1 3.75Å; F1899-Y1922 HydrophobicContact CE2-CD1 3.75Å; F1899-Y1922 AromaticContact CE2-CD2 3.72Å; F1899-Y1922 HydrophobicContact CE2-CD2 3.8Å; F1899-Y1922 VanDerWaalsContact CE2-CD2 3.48Å; F1899-Y1922 AromaticContact CE2-CE1 3.88Å; F1899-Y1922 HydrophobicContact CE2-CE1 4.14Å; F1899-Y1922 AromaticContact CE2-CE2 3.8Å; F1899-Y1922 HydrophobicContact CE2-CE2 4.1Å; F1899-Y1922 AromaticContact CE2-CG 3.56Å; F1899-Y1922 HydrophobicContact CE2-CG 3.56Å; F1899-Y1922 VanDerWaalsContact CE2-CG 3.43Å; F1899-Y1922 AromaticContact CE2-CZ 3.86Å; F1899-Y1922 HydrophobicContact CZ-CD2 4.35Å; F1899-Y1922 HydrophobicContact CZ-CE2 4.4Å; F1899-Y1922 HydrophobicContact CZ-CG 4.38Å; L1914-Y1922 HydrophobicContact CD2-CE2 4.27Å; I1919-Y1922 HydrophobicContact CB-CD2 4.46Å; I1919-Y1922 HydrophobicContact CB-CE1 4.32Å; I1919-Y1922 HydrophobicContact CB-CE2 4.02Å; I1919-Y1922 WeakPolarHBondContact CB-OH 3.19Å; I1919-Y1922 HydrophobicContact CD1-CE1 4.11Å; I1919-Y1922 WeakPolarHBondContact CD1-OH 3.18Å; I1919-Y1922 HydrophobicContact CG2-CD1 4.28Å; I1919-Y1922 HydrophobicContact CG2-CD2 3.91Å; I1919-Y1922 HydrophobicContact CG2-CE1 4.14Å; I1919-Y1922 HydrophobicContact CG2-CE2 3.67Å; I1919-Y1922 HydrophobicContact CG2-CG 4.23Å; I1919-Y1922 VanDerWaalsContact CG2-OH 3.23Å; I1919-Y1922 WeakPolarHBondContact CG2-OH 3.46Å; I1919-Y1922 WeakPolarHBondContact O-CE2 3.35Å; Y1922-L1924 VanDerWaalsContact C-N 3.26Å; Y1922-L1924 HydrophobicContact CD1-CD2 4.3Å; Y1922-L1924 PolarHBondContact O-N 3.06Å; Y1922-L1945 VanDerWaalsContact O-O 3.12Å; Y1922-L1946 CarbonylContact O-C 3.56Å; Y1922-L1946 VanDerWaalsContact O-CA 3.29Å; Y1922-L1946 WeakPolarHBondContact O-CA 3.29Å; Y1922-V1947 WeakPolarHBondContact CD2-O 3.31Å; Y1922-V1947 PolarHBondContact N-O 3.07Å; Y1922-V1947 VanDerWaalsContact N-O 3.1Å; Y1922-V1947 PolarHBondContact O-N 2.88Å; Y1922-V1947 VanDerWaalsContact O-N 3.12Å; Y1922-L1949 HydrophobicContact CD2-CD1 4.49Å; Y1922-L1949 HydrophobicContact CD2-CD2 4.18Å; Y1922-L1949 HydrophobicContact CE2-CD1 4.17Å; Y1922-L1949 HydrophobicContact CE2-CD2 3.35Å; Y1922-L1949 HydrophobicContact CE2-CG 4.32Å
1923R89.2Confident84.4Confident133.8 Ų133.853.4 Ų53.451%0.50526%0.26SS..EExtended strand (participates in β ladder)trans-112.987.4177.3-67.4-173.1171.3-130.2-10.8110.8G1893 E1921 T1925 L1944 L1945 L1946G1893-R1923 VanDerWaalsContact CA-O 3.3Å; G1893-R1923 WeakPolarHBondContact CA-O 3.35Å; E1921-R1923 IonicContact OE1-NH2 3.16Å; E1921-R1923 PolarHBondContact OE1-NH2 2.82Å; E1921-R1923 IonicContact OE2-CZ 3.67Å; E1921-R1923 IonicContact OE2-NE 3.04Å; E1921-R1923 PolarHBondContact OE2-NE 3.06Å; E1921-R1923 IonicContact OE2-NH2 2.92Å; E1921-R1923 PolarHBondContact OE2-NH2 3.07Å; R1923-T1925 PolarHBondContact O-N 3.08Å; R1923-T1925 VanDerWaalsContact O-N 3.13Å; R1923-L1944 HydrophobicContact CB-CD2 3.81Å; R1923-L1945 CarbonylContact C-O 3.6Å; R1923-L1946 HydrophobicContact CB-CD1 4.45Å; R1923-L1946 HydrophobicContact CG-CD1 3.79Å; R1923-L1946 VanDerWaalsContact CG-CD1 3.41Å; R1923-L1946 HydrophobicContact CG-CG 4.25Å
1924L89.7Confident84.1Confident0.2 Ų0.252 Ų520%0.00125%0.247CC..EExtended strand (participates in β ladder)trans-84.7120-172.3-51.9178.8000110.5I1890 A1892 N1894 F1899 V1908 Y1922 V1926 L1944 L1945 V1947I1890-L1924 HydrophobicContact CD1-CB 4.47Å; I1890-L1924 HydrophobicContact CD1-CD1 4.09Å; I1890-L1924 HydrophobicContact CD1-CD2 4.24Å; I1890-L1924 HydrophobicContact CD1-CG 4.42Å; I1890-L1924 HydrophobicContact CG1-CB 4.22Å; I1890-L1924 HydrophobicContact CG1-CD1 4.48Å; I1890-L1924 HydrophobicContact CG2-CB 4.05Å; I1890-L1924 HydrophobicContact CG2-CD2 4.17Å; I1890-L1924 HydrophobicContact CG2-CG 4.28Å; A1892-L1924 WeakPolarHBondContact O-CA 3.34Å; N1894-L1924 HydrophobicContact CB-CD2 3.83Å; F1899-L1924 HydrophobicContact CB-CD1 4.03Å; F1899-L1924 HydrophobicContact CD1-CD1 4.22Å; F1899-L1924 HydrophobicContact CD2-CD1 3.93Å; F1899-L1924 HydrophobicContact CD2-CD2 4.04Å; F1899-L1924 HydrophobicContact CD2-CG 4.35Å; F1899-L1924 HydrophobicContact CE2-CD1 4.41Å; F1899-L1924 HydrophobicContact CE2-CD2 4.45Å; F1899-L1924 HydrophobicContact CG-CD1 3.89Å; F1899-L1924 HydrophobicContact CG-CD2 4.4Å; V1908-L1924 HydrophobicContact CG1-CD1 4.4Å; Y1922-L1924 VanDerWaalsContact C-N 3.26Å; Y1922-L1924 HydrophobicContact CD1-CD2 4.3Å; Y1922-L1924 PolarHBondContact O-N 3.06Å; L1924-V1926 HydrophobicContact CB-CG2 4.3Å; L1924-V1926 PolarHBondContact O-N 3.3Å; L1924-V1926 VanDerWaalsContact O-N 3.1Å; L1924-L1944 CarbonylContact O-C 3.55Å; L1924-L1944 WeakPolarHBondContact O-CA 3.48Å; L1924-L1944 WeakPolarHBondContact O-CD2 3.42Å; L1924-L1945 HydrophobicContact CB-CB 4.26Å; L1924-L1945 HydrophobicContact CB-CG 4.43Å; L1924-L1945 WeakPolarHBondContact CB-O 3.38Å; L1924-L1945 HydrophobicContact CD1-CD2 4.2Å; L1924-L1945 HydrophobicContact CD1-CG 4.35Å; L1924-L1945 PolarHBondContact N-O 2.9Å; L1924-L1945 PolarHBondContact O-N 2.91Å; L1924-V1947 HydrophobicContact CD1-CG2 3.82Å; L1924-V1947 HydrophobicContact CG-CG2 4.27Å
1925T89.8Confident83.8Confident29.6 Ų29.656.1 Ų56.118%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-88.8117169.2-49.80000108.9I1890 T1891 A1892 R1923 S1927 F1942 D1943 L1944I1890-T1925 CarbonylContact C-O 3.49Å; I1890-T1925 VanDerWaalsContact CA-O 3.25Å; I1890-T1925 WeakPolarHBondContact CA-O 3.25Å; I1890-T1925 WeakPolarHBondContact CG2-O 3.49Å; T1891-T1925 PolarHBondContact N-O 3.19Å; T1891-T1925 PolarHBondContact OG1-O 3.07Å; T1891-T1925 VanDerWaalsContact OG1-O 3.08Å; A1892-T1925 PolarHBondContact O-N 3.08Å; A1892-T1925 VanDerWaalsContact O-N 3.13Å; R1923-T1925 PolarHBondContact O-N 3.08Å; R1923-T1925 VanDerWaalsContact O-N 3.13Å; T1925-S1927 PolarHBondContact O-N 3.39Å; T1925-F1942 HydrophobicContact CG2-CB 4.22Å; T1925-F1942 HydrophobicContact CG2-CD2 4.15Å; T1925-F1942 HydrophobicContact CG2-CG 4.34Å; T1925-D1943 CarbonylContact C-O 3.57Å; T1925-D1943 WeakPolarHBondContact CA-O 3.37Å; T1925-D1943 WeakPolarHBondContact CG2-O 3.28Å; T1925-L1944 HydrophobicContact CG2-CD2 4.26Å; T1925-L1944 VanDerWaalsContact OG1-CD2 3.29Å; T1925-L1944 WeakPolarHBondContact OG1-CD2 3.2Å
1926V89.9Confident83.6Confident0.2 Ų0.264.8 Ų64.80%0.00130%0.303CS..EExtended strand (participates in β ladder)trans-103.6129.1-179.8-177.50000108.7L1854 V1873 N1889 I1890 I1901 L1924 F1942 D1943 L1945L1854-V1926 HydrophobicContact CD1-CB 3.91Å; L1854-V1926 HydrophobicContact CD1-CG1 4.27Å; L1854-V1926 HydrophobicContact CD1-CG2 4.4Å; L1854-V1926 HydrophobicContact CD2-CB 4.3Å; V1873-V1926 HydrophobicContact CB-CG1 4.26Å; V1873-V1926 HydrophobicContact CG1-CG1 4.11Å; V1873-V1926 HydrophobicContact CG2-CG1 4.26Å; V1873-V1926 HydrophobicContact CG2-CG2 4.46Å; N1889-V1926 CarbonylContact O-C 3.54Å; N1889-V1926 VanDerWaalsContact O-CA 3.29Å; N1889-V1926 WeakPolarHBondContact O-CA 3.37Å; N1889-V1926 WeakPolarHBondContact O-CG1 3.33Å; I1890-V1926 HydrophobicContact CG1-CG2 4.27Å; I1901-V1926 HydrophobicContact CD1-CG1 3.77Å; I1901-V1926 HydrophobicContact CD1-CG2 4.15Å; L1924-V1926 HydrophobicContact CB-CG2 4.3Å; L1924-V1926 PolarHBondContact O-N 3.3Å; L1924-V1926 VanDerWaalsContact O-N 3.1Å; V1926-F1942 CarbonylContact O-C 3.5Å; V1926-F1942 VanDerWaalsContact O-CA 3.26Å; V1926-F1942 WeakPolarHBondContact O-CA 3.37Å; V1926-F1942 WeakPolarHBondContact O-CB 3.39Å; V1926-D1943 PolarHBondContact N-O 2.82Å; V1926-D1943 PolarHBondContact O-N 2.92Å; V1926-L1945 HydrophobicContact CG2-CB 4.15Å; V1926-L1945 HydrophobicContact CG2-CD2 4.32Å
1927S90.6Very high83.5Confident12.2 Ų12.266.4 Ų66.49%0.08532%0.315CS..EExtended strand (participates in β ladder)trans-112.6143.917066.70000111.3F1888 N1889 T1891 T1925 D1941F1888-S1927 WeakPolarHBondContact CA-O 3.45Å; N1889-S1927 PolarHBondContact N-O 3.2Å; N1889-S1927 PolarHBondContact O-N 2.94Å; N1889-S1927 VanDerWaalsContact O-O 3.05Å; N1889-S1927 PolarHBondContact O-OG 2.83Å; T1891-S1927 VanDerWaalsContact CG2-OG 3.27Å; T1891-S1927 WeakPolarHBondContact CG2-OG 3.35Å; T1925-S1927 PolarHBondContact O-N 3.39Å; S1927-D1941 CarbonylContact C-O 3.43Å; S1927-D1941 WeakPolarHBondContact CA-O 3.33Å; S1927-D1941 WeakPolarHBondContact CB-O 3.35Å
1928V89.9Confident83.6Confident0.2 Ų0.263.3 Ų63.30%0.00130%0.304CS..EExtended strand (participates in β ladder)trans-108.3148.7161.770.30000109.6P1849 L1851 A1875 L1886 T1887 F1888 K1940 D1941P1849-V1928 HydrophobicContact CB-CG1 4.1Å; P1849-V1928 HydrophobicContact CB-CG2 4.42Å; P1849-V1928 HydrophobicContact CG-CG1 4.3Å; P1849-V1928 WeakPolarHBondContact O-CG1 3.44Å; L1851-V1928 HydrophobicContact CD1-CG1 4.37Å; L1851-V1928 HydrophobicContact CD2-CB 4.12Å; L1851-V1928 HydrophobicContact CD2-CG1 3.92Å; L1851-V1928 HydrophobicContact CG-CB 4.45Å; L1851-V1928 HydrophobicContact CG-CG1 3.79Å; A1875-V1928 HydrophobicContact CB-CB 4.17Å; A1875-V1928 HydrophobicContact CB-CG1 4.04Å; A1875-V1928 HydrophobicContact CB-CG2 3.88Å; L1886-V1928 HydrophobicContact CB-CG2 4.04Å; L1886-V1928 HydrophobicContact CD1-CG2 4.42Å; L1886-V1928 HydrophobicContact CD2-CG2 3.8Å; L1886-V1928 HydrophobicContact CG-CG2 4.34Å; T1887-V1928 CarbonylContact O-C 3.6Å; T1887-V1928 VanDerWaalsContact O-CA 3.26Å; T1887-V1928 WeakPolarHBondContact O-CA 3.4Å; T1887-V1928 WeakPolarHBondContact O-CG2 3.28Å; F1888-V1928 HydrophobicContact CD1-CB 4.06Å; F1888-V1928 HydrophobicContact CD1-CG2 3.91Å; F1888-V1928 HydrophobicContact CE1-CB 4.14Å; F1888-V1928 HydrophobicContact CE1-CG2 3.78Å; F1888-V1928 HydrophobicContact CG-CG2 4.43Å; F1888-V1928 HydrophobicContact CZ-CG2 4.22Å; V1928-K1940 CarbonylContact O-C 3.55Å; V1928-K1940 VanDerWaalsContact O-CA 3.27Å; V1928-K1940 WeakPolarHBondContact O-CA 3.32Å; V1928-K1940 VanDerWaalsContact O-CB 3.3Å; V1928-K1940 WeakPolarHBondContact O-CB 3.4Å; V1928-D1941 HydrophobicContact CG1-CB 4.01Å; V1928-D1941 PolarHBondContact N-O 2.97Å; V1928-D1941 PolarHBondContact O-N 2.98Å; V1928-D1941 VanDerWaalsContact O-N 3.13Å
1929K89.4Confident83.9Confident84 Ų8460.2 Ų60.237%0.36529%0.292SS..EExtended strand (participates in β ladder)trans-140.5144.7172.2-16.2-179-177.8177.50110.3L1886 T1887 A1938 R1939 K1940L1886-K1929 CarbonylContact C-O 3.55Å; L1886-K1929 VanDerWaalsContact CA-O 3.27Å; L1886-K1929 WeakPolarHBondContact CA-O 3.4Å; T1887-K1929 WeakPolarHBondContact CA-O 3.31Å; T1887-K1929 WeakPolarHBondContact CB-O 3.5Å; T1887-K1929 PolarHBondContact N-O 2.93Å; T1887-K1929 WeakPolarHBondContact O-CG 3.11Å; T1887-K1929 PolarHBondContact O-N 2.88Å; T1887-K1929 WeakPolarHBondContact OG1-CE 3.4Å; T1887-K1929 WeakPolarHBondContact OG1-CG 3.45Å; T1887-K1929 PolarHBondContact OG1-O 2.89Å; T1887-K1929 VanDerWaalsContact OG1-O 3.08Å; K1929-A1938 HydrophobicContact CD-CB 4.48Å; K1929-R1939 CarbonylContact C-O 3.49Å; K1929-R1939 WeakPolarHBondContact CA-O 3.41Å; K1929-R1939 VanDerWaalsContact CB-O 3.24Å; K1929-R1939 WeakPolarHBondContact CB-O 3.24Å; K1929-R1939 WeakPolarHBondContact CG-O 3.2Å; K1929-K1940 HydrophobicContact CB-CB 4.1Å; K1929-K1940 HydrophobicContact CG-CB 4.04Å
1930D89.2Confident84.2Confident0.6 Ų0.666.1 Ų66.10%0.00332%0.317CS..SBendtrans-78-174.9165.75866.2000112.1N1845 P1849 D1877 N1883 L1885 L1886 A1938 R1939N1845-D1930 PolarHBondContact ND2-OD1 2.89Å; N1845-D1930 PolarHBondContact ND2-OD2 3.03Å; N1845-D1930 PolarHBondContact OD1-OD1 3.08Å; N1845-D1930 PolarHBondContact OD1-OD2 3.29Å; P1849-D1930 HydrophobicContact CB-CB 4.31Å; P1849-D1930 VanDerWaalsContact CD-OD2 3.23Å; P1849-D1930 WeakPolarHBondContact CD-OD2 3.39Å; P1849-D1930 HydrophobicContact CG-CB 4.19Å; P1849-D1930 VanDerWaalsContact CG-OD2 3.26Å; P1849-D1930 WeakPolarHBondContact CG-OD2 3.23Å; D1877-D1930 WeakPolarHBondContact OD2-CB 3.22Å; N1883-D1930 CarbonylContact O-C 3.44Å; N1883-D1930 WeakPolarHBondContact O-CA 3.16Å; N1883-D1930 VanDerWaalsContact O-CB 3.29Å; N1883-D1930 WeakPolarHBondContact O-CB 3.22Å; L1885-D1930 CarbonylContact O-C 3.52Å; L1885-D1930 WeakPolarHBondContact O-CA 3.3Å; L1886-D1930 HydrophobicContact CD2-CB 4.26Å; D1930-A1938 WeakPolarHBondContact O-CB 3.38Å; D1930-A1938 VanDerWaalsContact OD1-C 3.28Å; D1930-A1938 WeakPolarHBondContact OD1-CA 3.31Å; D1930-A1938 WeakPolarHBondContact OD1-CB 3.26Å; D1930-R1939 VanDerWaalsContact CG-N 3.26Å; D1930-R1939 PolarHBondContact N-O 3.18Å; D1930-R1939 VanDerWaalsContact N-O 3.09Å; D1930-R1939 PolarHBondContact OD1-N 3.14Å; D1930-R1939 WeakPolarHBondContact OD2-CA 3.23Å; D1930-R1939 WeakPolarHBondContact OD2-CB 3.28Å; D1930-R1939 PolarHBondContact OD2-N 2.88Å; D1930-R1939 VanDerWaalsContact OD2-O 3.07Å
1931N84.1Confident84.5Confident9 Ų964.7 Ų64.75%0.04831%0.306CS..  trans3764.7168.6-154.7-32.6000116.4N1845 C1882 N1883 L1885 E1933 N1934 I1937 A1938N1845-N1931 VanDerWaalsContact OD1-CB 3.29Å; N1845-N1931 WeakPolarHBondContact OD1-CB 3.27Å; N1845-N1931 PolarHBondContact OD1-ND2 2.97Å; C1882-N1931 WeakPolarHBondContact O-CA 3.38Å; C1882-N1931 PolarHBondContact O-N 3.01Å; N1883-N1931 PolarHBondContact O-N 3.02Å; N1883-N1931 PolarHBondContact OD1-ND2 2.96Å; L1885-N1931 PolarHBondContact O-N 3.02Å; N1931-E1933 PolarHBondContact O-N 3.07Å; N1931-E1933 VanDerWaalsContact O-N 3.14Å; N1931-E1933 PolarHBondContact OD1-N 3.09Å; N1931-N1934 CarbonylContact O-C 3.56Å; N1931-N1934 PolarHBondContact O-N 3.08Å; N1931-N1934 VanDerWaalsContact O-N 3.11Å; N1931-N1934 WeakPolarHBondContact OD1-CB 3.25Å; N1931-N1934 PolarHBondContact OD1-N 3Å; N1931-N1934 VanDerWaalsContact OD1-N 3.07Å; N1931-I1937 VanDerWaalsContact ND2-CD1 3.27Å; N1931-I1937 WeakPolarHBondContact ND2-CD1 3.43Å; N1931-A1938 HydrophobicContact CB-CB 4.14Å; N1931-A1938 WeakPolarHBondContact O-CB 3.48Å
1932P77.1Confident84.6Confident53 Ų5367 Ų6734%0.34432%0.315SS..THydrogen-bonded Turntrans-65-20.3-177.525.2-34.6000113.7L1885 T1887 N1934L1885-P1932 HydrophobicContact CB-CG 4.4Å; L1885-P1932 HydrophobicContact CD2-CG 3.78Å; L1885-P1932 HydrophobicContact CG-CG 3.98Å; L1885-P1932 VanDerWaalsContact O-CD 3.31Å; L1885-P1932 WeakPolarHBondContact O-CD 3.35Å; T1887-P1932 HydrophobicContact CG2-CB 3.95Å; T1887-P1932 HydrophobicContact CG2-CG 3.85Å; T1887-P1932 VanDerWaalsContact OG1-CB 3.24Å; T1887-P1932 WeakPolarHBondContact OG1-CB 3.41Å; T1887-P1932 WeakPolarHBondContact OG1-CD 3.09Å; T1887-P1932 WeakPolarHBondContact OG1-CG 3.48Å; P1932-N1934 VanDerWaalsContact C-N 3.35Å
1933E77.6Confident84.6Confident157.4 Ų157.469 Ų6974%0.73633%0.326SS*.THydrogen-bonded Turntrans-76.3-30.2178-76.3-167.2152.900112.5C1882 N1931 P1935C1882-E1933 PolarHBondContact SG-OE2 3.2Å; C1882-E1933 VanDerWaalsContact SG-OE2 3.37Å; N1931-E1933 PolarHBondContact O-N 3.07Å; N1931-E1933 VanDerWaalsContact O-N 3.14Å; N1931-E1933 PolarHBondContact OD1-N 3.09Å; E1933-P1935 WeakPolarHBondContact O-CD 3.31Å
1934N76.3Confident84.6Confident69 Ų6966.2 Ų66.237%0.36932%0.321SS..  trans-129.380.2-179.4-164.8-5.5000113.4N1931 P1932 R1936 I1937 A1938N1931-N1934 CarbonylContact O-C 3.56Å; N1931-N1934 PolarHBondContact O-N 3.08Å; N1931-N1934 VanDerWaalsContact O-N 3.11Å; N1931-N1934 WeakPolarHBondContact OD1-CB 3.25Å; N1931-N1934 PolarHBondContact OD1-N 3Å; N1931-N1934 VanDerWaalsContact OD1-N 3.07Å; P1932-N1934 VanDerWaalsContact C-N 3.35Å; N1934-R1936 PolarHBondContact O-N 3.19Å; N1934-R1936 PolarHBondContact OD1-N 2.82Å; N1934-I1937 HydrophobicContact CB-CD1 4.15Å; N1934-I1937 HydrophobicContact CB-CG1 3.91Å; N1934-I1937 WeakPolarHBondContact ND2-CD1 3.29Å; N1934-I1937 WeakPolarHBondContact O-CG1 3.32Å; N1934-I1937 PolarHBondContact O-N 2.92Å; N1934-I1937 VanDerWaalsContact O-N 3.13Å; N1934-A1938 PolarHBondContact O-N 3Å; N1934-A1938 VanDerWaalsContact O-N 3.17Å
1935P74.5Confident84.5Confident99.2 Ų99.266.3 Ų66.364%0.64432%0.321SS*.THydrogen-bonded Turntrans-62.41.4-177.7-14.421.8000116.5E1933E1933-P1935 WeakPolarHBondContact O-CD 3.31Å
1936R76.4Confident84.4Confident238.2 Ų238.266.6 Ų66.690%0.89932%0.321SS*.THydrogen-bonded Turntrans-89-31.3174.5-76.8-174.4173.4179.3-0.8113.7N1934N1934-R1936 PolarHBondContact O-N 3.19Å; N1934-R1936 PolarHBondContact OD1-N 2.82Å
1937I77.7Confident84.3Confident87.2 Ų87.266.6 Ų66.645%0.44732%0.322SS..THydrogen-bonded Turntrans-102.2-12.9176.859.7176.9000111.7N1845 N1931 N1934 R1939N1845-I1937 HydrophobicContact CB-CD1 4.44Å; N1845-I1937 PolarHBondContact ND2-O 3.1Å; N1845-I1937 PolarHBondContact OD1-O 2.82Å; N1931-I1937 VanDerWaalsContact ND2-CD1 3.27Å; N1931-I1937 WeakPolarHBondContact ND2-CD1 3.43Å; N1934-I1937 HydrophobicContact CB-CD1 4.15Å; N1934-I1937 HydrophobicContact CB-CG1 3.91Å; N1934-I1937 WeakPolarHBondContact ND2-CD1 3.29Å; N1934-I1937 WeakPolarHBondContact O-CG1 3.32Å; N1934-I1937 PolarHBondContact O-N 2.92Å; N1934-I1937 VanDerWaalsContact O-N 3.13Å; I1937-R1939 PolarHBondContact O-N 2.97Å
1938A80.4Confident84Confident22.6 Ų22.667.5 Ų67.519%0.18733%0.328CS..  trans-59.2125.8178.200000113K1929 D1930 N1931 N1934K1929-A1938 HydrophobicContact CD-CB 4.48Å; D1930-A1938 WeakPolarHBondContact O-CB 3.38Å; D1930-A1938 VanDerWaalsContact OD1-C 3.28Å; D1930-A1938 WeakPolarHBondContact OD1-CA 3.31Å; D1930-A1938 WeakPolarHBondContact OD1-CB 3.26Å; N1931-A1938 HydrophobicContact CB-CB 4.14Å; N1931-A1938 WeakPolarHBondContact O-CB 3.48Å; N1934-A1938 PolarHBondContact O-N 3Å; N1934-A1938 VanDerWaalsContact O-N 3.17Å
1939R83.7Confident83.8Confident80 Ų8068.4 Ų68.430%0.30233%0.332SS..  trans-92176.2175.2-56.9167.791.8173-5.4109.1N1845 D1846 N1847 D1848 P1849 K1929 D1930 I1937N1845-R1939 WeakPolarHBondContact ND2-CD 2.83Å; N1845-R1939 VanDerWaalsContact ND2-CG 3.33Å; N1845-R1939 WeakPolarHBondContact ND2-CG 3.33Å; N1845-R1939 WeakPolarHBondContact O-CD 3.26Å; N1845-R1939 PolarHBondContact O-NE 2.79Å; N1845-R1939 PolarHBondContact O-NH1 2.92Å; N1845-R1939 WeakPolarHBondContact OD1-CD 3.34Å; N1845-R1939 WeakPolarHBondContact OD1-CG 3.41Å; D1846-R1939 VanDerWaalsContact C-CZ 3.43Å; D1846-R1939 VanDerWaalsContact CA-NH2 3.33Å; D1846-R1939 PolarHBondContact O-NH1 2.89Å; D1846-R1939 PolarHBondContact O-NH2 3.23Å; N1847-R1939 WeakPolarHBondContact O-CD 3.34Å; N1847-R1939 PolarHBondContact O-NE 2.93Å; N1847-R1939 VanDerWaalsContact O-NE 3.09Å; N1847-R1939 PolarHBondContact O-NH1 3.35Å; D1848-R1939 VanDerWaalsContact CG-CZ 3.41Å; D1848-R1939 VanDerWaalsContact CG-NE 3.32Å; D1848-R1939 VanDerWaalsContact CG-NH2 3.31Å; D1848-R1939 VanDerWaalsContact OD1-CB 3.31Å; D1848-R1939 WeakPolarHBondContact OD1-CB 3.38Å; D1848-R1939 WeakPolarHBondContact OD1-CD 3.4Å; D1848-R1939 WeakPolarHBondContact OD1-CG 3.05Å; D1848-R1939 IonicContact OD1-CZ 3.36Å; D1848-R1939 IonicContact OD1-NE 2.88Å; D1848-R1939 PolarHBondContact OD1-NE 3.24Å; D1848-R1939 IonicContact OD1-NH1 2.8Å; D1848-R1939 PolarHBondContact OD1-NH1 3.3Å; D1848-R1939 IonicContact OD1-NH2 3.4Å; D1848-R1939 PolarHBondContact OD1-NH2 2.65Å; D1848-R1939 IonicContact OD2-CZ 2.93Å; D1848-R1939 IonicContact OD2-NE 3.34Å; D1848-R1939 IonicContact OD2-NH1 3.29Å; D1848-R1939 IonicContact OD2-NH2 2.99Å; D1848-R1939 PolarHBondContact OD2-NH2 3.09Å; P1849-R1939 HydrophobicContact CG-CB 4.3Å; K1929-R1939 CarbonylContact C-O 3.49Å; K1929-R1939 WeakPolarHBondContact CA-O 3.41Å; K1929-R1939 VanDerWaalsContact CB-O 3.24Å; K1929-R1939 WeakPolarHBondContact CB-O 3.24Å; K1929-R1939 WeakPolarHBondContact CG-O 3.2Å; D1930-R1939 VanDerWaalsContact CG-N 3.26Å; D1930-R1939 PolarHBondContact N-O 3.18Å; D1930-R1939 VanDerWaalsContact N-O 3.09Å; D1930-R1939 PolarHBondContact OD1-N 3.14Å; D1930-R1939 WeakPolarHBondContact OD2-CA 3.23Å; D1930-R1939 WeakPolarHBondContact OD2-CB 3.28Å; D1930-R1939 PolarHBondContact OD2-N 2.88Å; D1930-R1939 VanDerWaalsContact OD2-O 3.07Å; I1937-R1939 PolarHBondContact O-N 2.97Å
1940K86.8Confident83.1Confident139 Ų13966.1 Ų66.160%0.60433%0.33SS*.EExtended strand (participates in β ladder)trans-163.7148-167.961.2-177.3-178.2177.50114.1V1928 K1929V1928-K1940 CarbonylContact O-C 3.55Å; V1928-K1940 VanDerWaalsContact O-CA 3.27Å; V1928-K1940 WeakPolarHBondContact O-CA 3.32Å; V1928-K1940 VanDerWaalsContact O-CB 3.3Å; V1928-K1940 WeakPolarHBondContact O-CB 3.4Å; K1929-K1940 HydrophobicContact CB-CB 4.1Å; K1929-K1940 HydrophobicContact CG-CB 4.04Å
1941D87.9Confident82.4Confident51.2 Ų51.268.6 Ų68.627%0.27434%0.343SS..EExtended strand (participates in β ladder)trans-130.4157.5168.8-174.321.2000110.4P1849 L1851 S1927 V1928P1849-D1941 WeakPolarHBondContact O-CB 3.37Å; L1851-D1941 VanDerWaalsContact CB-OD2 3.25Å; L1851-D1941 WeakPolarHBondContact CB-OD2 3.28Å; L1851-D1941 HydrophobicContact CD1-CB 4.36Å; L1851-D1941 HydrophobicContact CG-CB 4.36Å; L1851-D1941 WeakPolarHBondContact CG-OD2 3.25Å; L1851-D1941 PolarHBondContact N-OD2 2.85Å; S1927-D1941 CarbonylContact C-O 3.43Å; S1927-D1941 WeakPolarHBondContact CA-O 3.33Å; S1927-D1941 WeakPolarHBondContact CB-O 3.35Å; V1928-D1941 HydrophobicContact CG1-CB 4.01Å; V1928-D1941 PolarHBondContact N-O 2.97Å; V1928-D1941 PolarHBondContact O-N 2.98Å; V1928-D1941 VanDerWaalsContact O-N 3.13Å
1942F89Confident81.8Confident130.8 Ų130.873.2 Ų73.257%0.57436%0.364SS*.EExtended strand (participates in β ladder)trans-154.6137.8-17657.4-88.1000114.6T1925 V1926T1925-F1942 HydrophobicContact CG2-CB 4.22Å; T1925-F1942 HydrophobicContact CG2-CD2 4.15Å; T1925-F1942 HydrophobicContact CG2-CG 4.34Å; V1926-F1942 CarbonylContact O-C 3.5Å; V1926-F1942 VanDerWaalsContact O-CA 3.26Å; V1926-F1942 WeakPolarHBondContact O-CA 3.37Å; V1926-F1942 WeakPolarHBondContact O-CB 3.39Å
1943D87.9Confident81.5Confident52.6 Ų52.673.7 Ų73.728%0.28136%0.364SS..EExtended strand (participates in β ladder)trans-151.3-176.9177.8-159.4-3000112.6L1851 L1854 P1855 T1925 V1926L1851-D1943 HydrophobicContact CD1-CB 3.91Å; L1854-D1943 VanDerWaalsContact C-OD2 3.24Å; L1854-D1943 HydrophobicContact CB-CB 3.7Å; L1854-D1943 WeakPolarHBondContact CB-OD2 3.36Å; L1854-D1943 HydrophobicContact CD1-CB 4.12Å; L1854-D1943 HydrophobicContact CD2-CB 3.64Å; P1855-D1943 WeakPolarHBondContact CD-OD2 3.26Å; T1925-D1943 CarbonylContact C-O 3.57Å; T1925-D1943 WeakPolarHBondContact CA-O 3.37Å; T1925-D1943 WeakPolarHBondContact CG2-O 3.28Å; V1926-D1943 PolarHBondContact N-O 2.82Å; V1926-D1943 PolarHBondContact O-N 2.92Å
1944L87.7Confident81.4Confident74.6 Ų74.671.2 Ų71.239%0.39136%0.356SS..EExtended strand (participates in β ladder)trans-110.7133-165.2-75.5167.3000115.2P1855 M1856 R1923 L1924 T1925P1855-L1944 CarbonylContact C-O 3.59Å; P1855-L1944 VanDerWaalsContact CA-O 3.26Å; P1855-L1944 WeakPolarHBondContact CA-O 3.31Å; P1855-L1944 HydrophobicContact CB-CB 4.29Å; P1855-L1944 WeakPolarHBondContact CB-O 3.21Å; M1856-L1944 PolarHBondContact N-O 2.95Å; M1856-L1944 VanDerWaalsContact N-O 3.13Å; R1923-L1944 HydrophobicContact CB-CD2 3.81Å; L1924-L1944 CarbonylContact O-C 3.55Å; L1924-L1944 WeakPolarHBondContact O-CA 3.48Å; L1924-L1944 WeakPolarHBondContact O-CD2 3.42Å; T1925-L1944 HydrophobicContact CG2-CD2 4.26Å; T1925-L1944 VanDerWaalsContact OG1-CD2 3.29Å; T1925-L1944 WeakPolarHBondContact OG1-CD2 3.2Å
1945L89Confident80.9Confident1.2 Ų1.270.7 Ų70.71%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-118.1125.1170.3174.563.8000110.9L1854 P1855 M1856 V1858 A1871 V1873 V1908 Y1922 R1923 L1924 V1926 V1947L1854-L1945 HydrophobicContact CD1-CB 4.35Å; L1854-L1945 HydrophobicContact CD2-CB 4.15Å; L1854-L1945 HydrophobicContact CD2-CD1 4.41Å; L1854-L1945 HydrophobicContact CG-CB 4.41Å; P1855-L1945 HydrophobicContact CG-CD1 4.1Å; P1855-L1945 WeakPolarHBondContact O-CD1 3.46Å; M1856-L1945 HydrophobicContact CB-CD1 4.05Å; M1856-L1945 HydrophobicContact CE-CD1 4Å; M1856-L1945 HydrophobicContact CG-CD1 4.07Å; M1856-L1945 CarbonylContact O-C 3.54Å; M1856-L1945 VanDerWaalsContact O-CA 3.31Å; M1856-L1945 WeakPolarHBondContact O-CA 3.32Å; M1856-L1945 HydrophobicContact SD-CD1 4.29Å; V1858-L1945 HydrophobicContact CB-CD1 4.24Å; V1858-L1945 HydrophobicContact CG2-CD1 4.04Å; A1871-L1945 HydrophobicContact CB-CD1 4.11Å; A1871-L1945 HydrophobicContact CB-CD2 3.85Å; V1873-L1945 HydrophobicContact CG2-CD2 4.44Å; V1908-L1945 HydrophobicContact CB-CD2 4.4Å; V1908-L1945 HydrophobicContact CG1-CD2 4.28Å; V1908-L1945 HydrophobicContact CG2-CD2 4Å; Y1922-L1945 VanDerWaalsContact O-O 3.12Å; R1923-L1945 CarbonylContact C-O 3.6Å; L1924-L1945 HydrophobicContact CB-CB 4.26Å; L1924-L1945 HydrophobicContact CB-CG 4.43Å; L1924-L1945 WeakPolarHBondContact CB-O 3.38Å; L1924-L1945 HydrophobicContact CD1-CD2 4.2Å; L1924-L1945 HydrophobicContact CD1-CG 4.35Å; L1924-L1945 PolarHBondContact N-O 2.9Å; L1924-L1945 PolarHBondContact O-N 2.91Å; V1926-L1945 HydrophobicContact CG2-CB 4.15Å; V1926-L1945 HydrophobicContact CG2-CD2 4.32Å; L1945-V1947 HydrophobicContact CD2-CG2 4.18Å; L1945-V1947 HydrophobicContact CG-CG2 4.06Å; L1945-V1947 PolarHBondContact O-N 2.88Å
1946L87.2Confident81Confident35.4 Ų35.471.6 Ų71.619%0.18535%0.348CS..EExtended strand (participates in β ladder)trans-106.7126-178.3-153.8102.1000111.9M1856 N1857 V1858 E1921 Y1922 R1923 S1948M1856-L1946 WeakPolarHBondContact O-CB 3.36Å; M1856-L1946 PolarHBondContact O-N 3Å; N1857-L1946 CarbonylContact C-O 3.51Å; N1857-L1946 WeakPolarHBondContact CA-O 3.4Å; N1857-L1946 HydrophobicContact CB-CB 4.31Å; N1857-L1946 HydrophobicContact CB-CD2 4.26Å; N1857-L1946 WeakPolarHBondContact OD1-CB 3.31Å; N1857-L1946 WeakPolarHBondContact OD1-CD2 3.29Å; V1858-L1946 PolarHBondContact N-O 3Å; E1921-L1946 HydrophobicContact CB-CD1 4.15Å; E1921-L1946 HydrophobicContact CG-CD1 4.23Å; E1921-L1946 HydrophobicContact CG-CD2 4.28Å; E1921-L1946 HydrophobicContact CG-CG 4.18Å; E1921-L1946 VanDerWaalsContact OE1-CD2 3.3Å; E1921-L1946 WeakPolarHBondContact OE1-CD2 3.19Å; Y1922-L1946 CarbonylContact O-C 3.56Å; Y1922-L1946 VanDerWaalsContact O-CA 3.29Å; Y1922-L1946 WeakPolarHBondContact O-CA 3.29Å; R1923-L1946 HydrophobicContact CB-CD1 4.45Å; R1923-L1946 HydrophobicContact CG-CD1 3.79Å; R1923-L1946 VanDerWaalsContact CG-CD1 3.41Å; R1923-L1946 HydrophobicContact CG-CG 4.25Å; L1946-S1948 PolarHBondContact O-N 2.74Å
1947V88.1Confident81.1Confident1.2 Ų1.260.8 Ų60.81%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-127.20179.7-163.90000112.5V1858 I1860 V1870 F1899 E1921 Y1922 L1924 L1945 L1949V1858-V1947 HydrophobicContact CB-CG1 4.14Å; V1858-V1947 HydrophobicContact CG1-CG1 4.22Å; V1858-V1947 CarbonylContact O-C 3.52Å; V1858-V1947 VanDerWaalsContact O-CA 3.3Å; V1858-V1947 WeakPolarHBondContact O-CA 3.27Å; I1860-V1947 HydrophobicContact CB-CG1 4.39Å; I1860-V1947 HydrophobicContact CD1-CG1 3.85Å; I1860-V1947 HydrophobicContact CG1-CG1 4.26Å; I1860-V1947 HydrophobicContact CG2-CG1 3.74Å; V1870-V1947 HydrophobicContact CG1-CB 4.35Å; V1870-V1947 HydrophobicContact CG1-CG1 3.93Å; V1870-V1947 VanDerWaalsContact CG1-CG1 3.42Å; V1870-V1947 HydrophobicContact CG1-CG2 3.98Å; V1870-V1947 HydrophobicContact CG2-CG1 4.42Å; F1899-V1947 HydrophobicContact CD1-CB 4.27Å; F1899-V1947 HydrophobicContact CD1-CG1 4.29Å; F1899-V1947 HydrophobicContact CD1-CG2 3.97Å; F1899-V1947 HydrophobicContact CD2-CB 4.32Å; F1899-V1947 HydrophobicContact CD2-CG2 4.17Å; F1899-V1947 HydrophobicContact CE1-CB 4.05Å; F1899-V1947 HydrophobicContact CE1-CG1 3.99Å; F1899-V1947 VanDerWaalsContact CE1-CG1 3.49Å; F1899-V1947 HydrophobicContact CE1-CG2 4.23Å; F1899-V1947 HydrophobicContact CE2-CB 3.8Å; F1899-V1947 HydrophobicContact CE2-CG1 4.42Å; F1899-V1947 HydrophobicContact CE2-CG2 4.15Å; F1899-V1947 HydrophobicContact CG-CG2 4.11Å; F1899-V1947 HydrophobicContact CZ-CB 4Å; F1899-V1947 VanDerWaalsContact CZ-CB 3.46Å; F1899-V1947 HydrophobicContact CZ-CG1 3.73Å; F1899-V1947 HydrophobicContact CZ-CG2 4.22Å; E1921-V1947 CarbonylContact C-O 3.4Å; E1921-V1947 WeakPolarHBondContact CA-O 3.3Å; E1921-V1947 WeakPolarHBondContact CG-O 3.33Å; Y1922-V1947 WeakPolarHBondContact CD2-O 3.31Å; Y1922-V1947 PolarHBondContact N-O 3.07Å; Y1922-V1947 VanDerWaalsContact N-O 3.1Å; Y1922-V1947 PolarHBondContact O-N 2.88Å; Y1922-V1947 VanDerWaalsContact O-N 3.12Å; L1924-V1947 HydrophobicContact CD1-CG2 3.82Å; L1924-V1947 HydrophobicContact CG-CG2 4.27Å; L1945-V1947 HydrophobicContact CD2-CG2 4.18Å; L1945-V1947 HydrophobicContact CG-CG2 4.06Å; L1945-V1947 PolarHBondContact O-N 2.88Å; V1947-L1949 HydrophobicContact CG1-CD2 4.25Å
1948S83.6Confident81.2Confident30.4 Ų30.462.8 Ų62.821%0.21332%0.32CS..EExtended strand (participates in β ladder)00034.10000113.4V1858 T1859 I1860 F1899 P1920 L1946V1858-S1948 PolarHBondContact O-N 2.95Å; V1858-S1948 PolarHBondContact O-OG 3.01Å; T1859-S1948 CarbonylContact C-O 3.57Å; T1859-S1948 VanDerWaalsContact CA-O 3.3Å; T1859-S1948 WeakPolarHBondContact CA-O 3.35Å; T1859-S1948 WeakPolarHBondContact CG2-OG 3.34Å; I1860-S1948 WeakPolarHBondContact CD1-O 3.49Å; I1860-S1948 WeakPolarHBondContact CG1-O 3.41Å; I1860-S1948 PolarHBondContact N-O 2.99Å; I1860-S1948 PolarHBondContact N-OG 2.85Å; F1899-S1948 WeakPolarHBondContact CZ-O 3.22Å; P1920-S1948 WeakPolarHBondContact O-CA 3.27Å; P1920-S1948 VanDerWaalsContact O-CB 3.29Å; P1920-S1948 WeakPolarHBondContact O-CB 3.44Å; L1946-S1948 PolarHBondContact O-N 2.74Å
1949L85.4Confident81.4Confident18.8 Ų18.862.8 Ų62.810%0.09832%0.316CS..  000-49.7-173.4000114.1I1860 E1862 A1898 F1899 L1914 R1916 I1919 P1920 Y1922 V1947I1860-L1949 HydrophobicContact CB-CD2 4.31Å; I1860-L1949 HydrophobicContact CG1-CD2 4.11Å; I1860-L1949 HydrophobicContact CG2-CD2 3.89Å; I1860-L1949 CarbonylContact O-C 3.56Å; I1860-L1949 VanDerWaalsContact O-CA 3.28Å; I1860-L1949 WeakPolarHBondContact O-CA 3.23Å; I1860-L1949 WeakPolarHBondContact O-CD2 3.46Å; E1862-L1949 HydrophobicContact CB-CD1 4.32Å; A1898-L1949 HydrophobicContact CB-CD2 4.16Å; F1899-L1949 HydrophobicContact CE2-CD2 3.79Å; F1899-L1949 HydrophobicContact CZ-CD2 3.79Å; L1914-L1949 HydrophobicContact CB-CB 4.34Å; L1914-L1949 HydrophobicContact CB-CD1 3.93Å; L1914-L1949 HydrophobicContact CB-CD2 4.29Å; L1914-L1949 HydrophobicContact CD1-CB 4.4Å; L1914-L1949 HydrophobicContact CD1-CD2 3.88Å; L1914-L1949 HydrophobicContact CD2-CB 4.31Å; L1914-L1949 HydrophobicContact CD2-CD1 4.1Å; L1914-L1949 HydrophobicContact CD2-CD2 3.97Å; L1914-L1949 HydrophobicContact CD2-CG 4.17Å; L1914-L1949 HydrophobicContact CG-CD2 4.37Å; L1914-L1949 WeakPolarHBondContact O-CB 2.99Å; L1914-L1949 VanDerWaalsContact O-CD1 3.26Å; L1914-L1949 WeakPolarHBondContact O-CD1 3.31Å; R1916-L1949 HydrophobicContact CB-CB 4.04Å; R1916-L1949 HydrophobicContact CB-CD1 4.26Å; R1916-L1949 WeakPolarHBondContact CD-O 3.28Å; R1916-L1949 HydrophobicContact CG-CB 3.99Å; I1919-L1949 HydrophobicContact CB-CD1 4.14Å; I1919-L1949 WeakPolarHBondContact O-CD1 3.31Å; I1919-L1949 WeakPolarHBondContact O-CG 3.14Å; P1920-L1949 PolarHBondContact O-N 2.92Å; Y1922-L1949 HydrophobicContact CD2-CD1 4.49Å; Y1922-L1949 HydrophobicContact CD2-CD2 4.18Å; Y1922-L1949 HydrophobicContact CE2-CD1 4.17Å; Y1922-L1949 HydrophobicContact CE2-CD2 3.35Å; Y1922-L1949 HydrophobicContact CE2-CG 4.32Å; V1947-L1949 HydrophobicContact CG1-CD2 4.25Å
1950A75.3Confident81.1Confident37.4 Ų37.462.1 Ų62.131%0.30932%0.32SS..  0156.9000000113.5T1859 I1860 S1861 E1862 R1916 E1952T1859-A1950 HydrophobicContact CG2-CB 4.35Å; I1860-A1950 PolarHBondContact O-N 3.19Å; S1861-A1950 WeakPolarHBondContact CA-O 3.22Å; S1861-A1950 VanDerWaalsContact OG-CB 3.3Å; S1861-A1950 WeakPolarHBondContact OG-CB 3.42Å; E1862-A1950 HydrophobicContact CB-CB 4.02Å; E1862-A1950 VanDerWaalsContact N-CB 3.33Å; E1862-A1950 PolarHBondContact N-O 2.75Å; R1916-A1950 WeakPolarHBondContact CB-O 3.29Å; R1916-A1950 WeakPolarHBondContact CD-O 3.17Å; R1916-A1950 PolarHBondContact NE-O 2.86Å; A1950-E1952 PolarHBondContact O-N 3.18Å
1951D73.6Confident80.7Confident52.2 Ų52.259.7 Ų59.728%0.27931%0.311SS..  trans-91.50-169.8-166.385.7000116.6E1862 N1863 R1916 D1991 E1992E1862-D1951 VanDerWaalsContact CB-N 3.28Å; E1862-D1951 WeakPolarHBondContact OE1-CA 3.05Å; E1862-D1951 PolarHBondContact OE2-N 2.98Å; N1863-D1951 VanDerWaalsContact CG-C 3.44Å; N1863-D1951 VanDerWaalsContact CG-O 3.27Å; N1863-D1951 PolarHBondContact ND2-O 2.93Å; N1863-D1951 VanDerWaalsContact OD1-CA 3.31Å; N1863-D1951 WeakPolarHBondContact OD1-CA 3.36Å; N1863-D1951 PolarHBondContact OD1-N 3.31Å; N1863-D1951 PolarHBondContact OD1-O 3.43Å; R1916-D1951 IonicContact CZ-OD1 3.43Å; R1916-D1951 IonicContact NE-OD1 3.48Å; R1916-D1951 PolarHBondContact NE-OD1 2.92Å; R1916-D1951 VanDerWaalsContact NE-OD1 3.08Å; R1916-D1951 IonicContact NE-OD2 3.93Å; R1916-D1951 IonicContact NH1-OD1 3.33Å; R1916-D1951 PolarHBondContact NH1-OD1 3.1Å; R1916-D1951 IonicContact NH2-OD1 3.42Å; R1916-D1951 PolarHBondContact NH2-OD1 3.19Å; R1916-D1951 VanDerWaalsContact NH2-OD1 3.14Å; D1951-D1991 VanDerWaalsContact OD1-CA 3.23Å; D1951-D1991 WeakPolarHBondContact OD1-CA 3.45Å; D1951-E1992 HydrophobicContact CB-CB 4.01Å; D1951-E1992 VanDerWaalsContact CG-CB 3.46Å; D1951-E1992 PolarHBondContact OD1-N 2.7Å; D1951-E1992 VanDerWaalsContact OD1-N 3.16Å; D1951-E1992 PolarHBondContact OD2-N 2.81Å
1952E72.5Confident80.2Confident104.8 Ų104.859.8 Ų59.849%0.4932%0.324SS..  000-72.4-95.7160.400112.7S1861 E1862 N1863 A1950 D1954S1861-E1952 VanDerWaalsContact CB-OE1 3.28Å; S1861-E1952 WeakPolarHBondContact CB-OE1 3.43Å; S1861-E1952 WeakPolarHBondContact OG-CG 3.36Å; S1861-E1952 PolarHBondContact OG-OE1 2.88Å; E1862-E1952 HydrophobicContact CG-CB 4.25Å; E1862-E1952 HydrophobicContact CG-CG 4.21Å; E1862-E1952 PolarHBondContact OE1-N 3.02Å; E1862-E1952 VanDerWaalsContact OE1-N 3.13Å; N1863-E1952 HydrophobicContact CB-CB 3.83Å; N1863-E1952 HydrophobicContact CB-CG 4.26Å; N1863-E1952 VanDerWaalsContact CB-OE1 3.29Å; N1863-E1952 WeakPolarHBondContact CB-OE1 3.48Å; N1863-E1952 WeakPolarHBondContact ND2-CB 3.39Å; N1863-E1952 VanDerWaalsContact ND2-CG 3.35Å; N1863-E1952 WeakPolarHBondContact ND2-CG 3.22Å; N1863-E1952 PolarHBondContact ND2-OE1 3.22Å; N1863-E1952 PolarHBondContact ND2-OE2 2.83Å; A1950-E1952 PolarHBondContact O-N 3.18Å; E1952-D1954 PolarHBondContact O-N 3.43Å
1953N71.8Confident80Confident65 Ų6556.7 Ų56.735%0.34832%0.316SS..  000-176.7121.7000114.3D1991 Y1995 D2045 L2049N1953-D1991 WeakPolarHBondContact CA-OD2 3.33Å; N1953-D1991 VanDerWaalsContact CG-OD2 3.29Å; N1953-D1991 PolarHBondContact ND2-OD2 2.92Å; N1953-D1991 PolarHBondContact OD1-OD2 3.46Å; N1953-Y1995 HydrophobicContact CB-CD1 3.72Å; N1953-Y1995 HydrophobicContact CB-CD2 4.12Å; N1953-Y1995 HydrophobicContact CB-CE1 4.17Å; N1953-Y1995 HydrophobicContact CB-CE2 4.02Å; N1953-Y1995 HydrophobicContact CB-CG 3.96Å; N1953-Y1995 WeakPolarHBondContact ND2-CD1 3.38Å; N1953-Y1995 VanDerWaalsContact ND2-CG 3.29Å; N1953-Y1995 WeakPolarHBondContact OD1-CB 3.3Å; N1953-Y1995 WeakPolarHBondContact OD1-CD1 3.27Å; N1953-Y1995 VanDerWaalsContact OD1-CD2 3.31Å; N1953-Y1995 WeakPolarHBondContact OD1-CD2 3.34Å; N1953-Y1995 WeakPolarHBondContact OD1-CE1 3.42Å; N1953-Y1995 WeakPolarHBondContact OD1-CE2 3.46Å; N1953-Y1995 VanDerWaalsContact OD1-CG 3.25Å; N1953-D2045 PolarHBondContact ND2-OD2 2.92Å; N1953-D2045 PolarHBondContact OD1-OD2 3.22Å; N1953-D2045 VanDerWaalsContact OD1-OD2 3.06Å; N1953-L2049 WeakPolarHBondContact ND2-CD1 3.26Å; N1953-L2049 VanDerWaalsContact ND2-CG 3.25Å; N1953-L2049 WeakPolarHBondContact ND2-CG 3.45Å; N1953-L2049 WeakPolarHBondContact O-CD1 3.09Å
1954D73.8Confident79.9Confident105 Ų10554.4 Ų54.456%0.56130%0.303SS*.  00082.4-19.6000118E1862 N1863 E1952 D1991E1862-D1954 VanDerWaalsContact CD-OD2 3.25Å; E1862-D1954 VanDerWaalsContact CG-OD2 3.23Å; E1862-D1954 WeakPolarHBondContact CG-OD2 3.38Å; N1863-D1954 PolarHBondContact ND2-OD2 2.81Å; E1952-D1954 PolarHBondContact O-N 3.43Å; D1954-D1991 PolarHBondContact N-OD1 3.44Å; D1954-D1991 PolarHBondContact N-OD2 3.06Å
1955N66.6Low79.9Confident57.2 Ų57.255.6 Ų55.631%0.30631%0.307SS..  000-77.3-73.3000115E1917 D1989 A1990 D1991 L2049E1917-N1955 VanDerWaalsContact CD-ND2 3.31Å; E1917-N1955 VanDerWaalsContact CG-ND2 3.32Å; E1917-N1955 WeakPolarHBondContact CG-ND2 3.47Å; E1917-N1955 PolarHBondContact OE1-ND2 3.11Å; E1917-N1955 PolarHBondContact OE2-ND2 3.12Å; N1955-D1989 VanDerWaalsContact CB-OD1 3.27Å; N1955-D1989 WeakPolarHBondContact CB-OD1 3.28Å; N1955-A1990 HydrophobicContact CB-CB 3.99Å; N1955-D1991 HydrophobicContact CB-CB 3.87Å; N1955-D1991 VanDerWaalsContact CB-OD1 3.25Å; N1955-D1991 WeakPolarHBondContact CB-OD1 3.23Å; N1955-D1991 PolarHBondContact N-OD1 3Å; N1955-D1991 VanDerWaalsContact N-OD1 3.11Å; N1955-D1991 PolarHBondContact N-OD2 3.38Å; N1955-D1991 VanDerWaalsContact N-OD2 3.14Å; N1955-D1991 PolarHBondContact ND2-OD1 2.99Å; N1955-L2049 WeakPolarHBondContact O-CD1 3.28Å
1956H75.8Confident79.8Confident118.8 Ų118.855.7 Ų55.755%0.5531%0.308SS..  000-91.8-99.5000113.2L1958 D1989 L2049H1956-L1958 PolarHBondContact O-N 3.25Å; H1956-L1958 VanDerWaalsContact O-N 3.14Å; H1956-D1989 VanDerWaalsContact C-CG 3.47Å; H1956-D1989 VanDerWaalsContact C-OD2 3.27Å; H1956-D1989 PolarHBondContact N-OD1 3.3Å; H1956-L2049 HydrophobicContact CB-CB 3.92Å; H1956-L2049 HydrophobicContact CB-CD1 4.48Å
1957P79.8Confident79.8Confident12 Ų1257.7 Ų57.78%0.07832%0.316CS..  0000.16.6000115.4F1959 A1987 L1988 D1989 V1998 A2043 D2045 L2049 G2051P1957-F1959 PolarHBondContact O-N 2.97Å; P1957-A1987 HydrophobicContact CB-CB 4.24Å; P1957-L1988 CarbonylContact C-O 3.58Å; P1957-L1988 VanDerWaalsContact CA-O 3.28Å; P1957-L1988 WeakPolarHBondContact CA-O 3.48Å; P1957-L1988 WeakPolarHBondContact CB-O 3.44Å; P1957-D1989 WeakPolarHBondContact CA-OD2 3.27Å; P1957-D1989 HydrophobicContact CB-CB 4.33Å; P1957-D1989 VanDerWaalsContact CD-OD2 3.26Å; P1957-D1989 WeakPolarHBondContact CD-OD2 3.27Å; P1957-D1989 HydrophobicContact CG-CB 4.35Å; P1957-D1989 VanDerWaalsContact CG-OD2 3.23Å; P1957-D1989 WeakPolarHBondContact CG-OD2 3.3Å; P1957-D1989 VanDerWaalsContact N-OD2 3.1Å; P1957-V1998 HydrophobicContact CB-CB 4.42Å; P1957-V1998 HydrophobicContact CB-CG1 3.99Å; P1957-V1998 HydrophobicContact CB-CG2 4.15Å; P1957-V1998 HydrophobicContact CG-CG1 4.19Å; P1957-V1998 HydrophobicContact CG-CG2 4.13Å; P1957-A2043 HydrophobicContact CB-CB 3.68Å; P1957-A2043 HydrophobicContact CG-CB 4.49Å; P1957-D2045 HydrophobicContact CB-CB 4.32Å; P1957-D2045 HydrophobicContact CG-CB 3.74Å; P1957-L2049 VanDerWaalsContact CD-CB 3.48Å; P1957-L2049 VanDerWaalsContact CD-O 3.26Å; P1957-L2049 WeakPolarHBondContact CD-O 3.29Å; P1957-L2049 HydrophobicContact CG-CB 4.28Å; P1957-L2049 HydrophobicContact CG-CD1 4.02Å; P1957-L2049 WeakPolarHBondContact CG-O 3.48Å; P1957-G2051 VanDerWaalsContact O-CA 3.26Å; P1957-G2051 WeakPolarHBondContact O-CA 3.37Å
1958L80Confident79.7Confident129.6 Ų129.658.3 Ų58.368%0.67932%0.32SS*.EExtended strand (participates in β ladder)0131.90-169.566.4000113.4H1956 T1960 A1987 L1988H1956-L1958 PolarHBondContact O-N 3.25Å; H1956-L1958 VanDerWaalsContact O-N 3.14Å; L1958-T1960 PolarHBondContact O-N 3.32Å; L1958-A1987 CarbonylContact O-C 3.5Å; L1958-A1987 VanDerWaalsContact O-CA 3.29Å; L1958-A1987 WeakPolarHBondContact O-CA 3.3Å; L1958-A1987 VanDerWaalsContact O-CB 3.29Å; L1958-A1987 WeakPolarHBondContact O-CB 3.43Å; L1958-L1988 CarbonylContact C-O 3.51Å; L1958-L1988 WeakPolarHBondContact CA-O 3.09Å; L1958-L1988 PolarHBondContact N-O 3.01Å; L1958-L1988 CarbonylContact O-C 3.51Å; L1958-L1988 PolarHBondContact O-N 2.91Å
1959F83.8Confident79.7Confident21.8 Ų21.861.1 Ų61.110%0.09633%0.331CS..EExtended strand (participates in β ladder)trans-72.2145.8169.6-96.2-60.8000111.7P1957 E1961 Y1964 I1985 L1986 A1987 Y2000 L2041 A2043 G2051 A2053P1957-F1959 PolarHBondContact O-N 2.97Å; F1959-E1961 VanDerWaalsContact C-N 3.28Å; F1959-E1961 WeakPolarHBondContact CB-O 3.24Å; F1959-E1961 CarbonylContact O-C 3.51Å; F1959-E1961 PolarHBondContact O-N 3.11Å; F1959-Y1964 HydrophobicContact CB-CE2 3.87Å; F1959-Y1964 VanDerWaalsContact CB-CE2 3.5Å; F1959-Y1964 HydrophobicContact CD1-CD2 4.3Å; F1959-Y1964 AromaticContact CD1-CE2 3.54Å; F1959-Y1964 HydrophobicContact CD1-CE2 3.54Å; F1959-Y1964 AromaticContact CD1-CZ 3.77Å; F1959-Y1964 WeakPolarHBondContact CD1-OH 3.29Å; F1959-Y1964 HydrophobicContact CE1-CE2 4.09Å; F1959-Y1964 AromaticContact CG-CE2 3.57Å; F1959-Y1964 HydrophobicContact CG-CE2 3.94Å; F1959-I1985 HydrophobicContact CD1-CG2 4.33Å; F1959-I1985 HydrophobicContact CE1-CG2 3.9Å; F1959-L1986 CarbonylContact C-O 3.59Å; F1959-L1986 WeakPolarHBondContact CA-O 3.28Å; F1959-L1986 WeakPolarHBondContact CD1-O 3.43Å; F1959-A1987 HydrophobicContact CD1-CB 3.99Å; F1959-A1987 HydrophobicContact CD2-CB 4.43Å; F1959-A1987 HydrophobicContact CE1-CB 3.95Å; F1959-A1987 HydrophobicContact CG-CB 4.21Å; F1959-A1987 HydrophobicContact CZ-CB 4.4Å; F1959-Y2000 HydrophobicContact CD1-CE1 4.26Å; F1959-Y2000 AromaticContact CE1-CD1 3.78Å; F1959-Y2000 HydrophobicContact CE1-CD1 3.91Å; F1959-Y2000 AromaticContact CE1-CE1 3.79Å; F1959-Y2000 HydrophobicContact CE1-CE1 3.84Å; F1959-Y2000 HydrophobicContact CZ-CD1 4.23Å; F1959-Y2000 HydrophobicContact CZ-CE1 4.4Å; F1959-L2041 HydrophobicContact CE1-CB 3.91Å; F1959-L2041 HydrophobicContact CE1-CD1 4.26Å; F1959-L2041 HydrophobicContact CE2-CB 3.92Å; F1959-L2041 WeakPolarHBondContact CE2-O 3.46Å; F1959-L2041 HydrophobicContact CZ-CB 4.12Å; F1959-L2041 VanDerWaalsContact CZ-CB 3.4Å; F1959-L2041 HydrophobicContact CZ-CG 4.5Å; F1959-A2043 HydrophobicContact CD1-CB 4.37Å; F1959-A2043 HydrophobicContact CD2-CB 4.14Å; F1959-A2043 HydrophobicContact CE1-CB 4.1Å; F1959-A2043 HydrophobicContact CE2-CB 3.47Å; F1959-A2043 VanDerWaalsContact CE2-CB 3.48Å; F1959-A2043 HydrophobicContact CG-CB 4.34Å; F1959-A2043 HydrophobicContact CZ-CB 3.45Å; F1959-A2043 VanDerWaalsContact CZ-CB 3.47Å; F1959-G2051 WeakPolarHBondContact CE2-O 3.45Å; F1959-A2053 HydrophobicContact CB-CB 3.58Å; F1959-A2053 HydrophobicContact CD1-CB 4.23Å; F1959-A2053 HydrophobicContact CD2-CB 3.93Å; F1959-A2053 HydrophobicContact CE2-CB 3.81Å; F1959-A2053 HydrophobicContact CG-CB 4.03Å
1960T77Confident79.6Confident64.8 Ų64.860.9 Ų60.940%0.39833%0.33SS..SBendtrans-69.6-36-178.951.60000114.8L1958 Y1964 I1985 L1986 L1988L1958-T1960 PolarHBondContact O-N 3.32Å; T1960-Y1964 PolarHBondContact N-OH 3.11Å; T1960-Y1964 PolarHBondContact OG1-OH 3.22Å; T1960-I1985 VanDerWaalsContact OG1-CA 3.3Å; T1960-I1985 WeakPolarHBondContact OG1-CA 3.39Å; T1960-L1986 HydrophobicContact CG2-CB 4.02Å; T1960-L1986 HydrophobicContact CG2-CD2 4.13Å; T1960-L1986 HydrophobicContact CG2-CG 4.14Å; T1960-L1986 VanDerWaalsContact CG2-N 3.27Å; T1960-L1986 WeakPolarHBondContact CG2-O 3.34Å; T1960-L1986 PolarHBondContact N-O 3.04Å; T1960-L1986 PolarHBondContact OG1-N 2.98Å; T1960-L1986 PolarHBondContact OG1-O 3.26Å; T1960-L1988 HydrophobicContact CG2-CD1 3.8Å; T1960-L1988 HydrophobicContact CG2-CG 3.95Å
1961E79.6Confident79.8Confident88.4 Ų88.463.7 Ų63.741%0.41334%0.339SS..  trans-129.7143.6-178.5-69-66.1150.100111.4F1959 T1963 Y1964 N1982F1959-E1961 VanDerWaalsContact C-N 3.28Å; F1959-E1961 WeakPolarHBondContact CB-O 3.24Å; F1959-E1961 CarbonylContact O-C 3.51Å; F1959-E1961 PolarHBondContact O-N 3.11Å; E1961-T1963 VanDerWaalsContact C-N 3.26Å; E1961-T1963 PolarHBondContact O-N 3.08Å; E1961-Y1964 HydrophobicContact CB-CD1 4.2Å; E1961-Y1964 HydrophobicContact CB-CD2 4.49Å; E1961-Y1964 HydrophobicContact CB-CE1 3.96Å; E1961-Y1964 HydrophobicContact CB-CE2 4.18Å; E1961-Y1964 HydrophobicContact CB-CG 4.5Å; E1961-Y1964 VanDerWaalsContact CB-OH 3.3Å; E1961-Y1964 WeakPolarHBondContact CB-OH 3.33Å; E1961-Y1964 HydrophobicContact CG-CD1 4.36Å; E1961-Y1964 HydrophobicContact CG-CE1 4.11Å; E1961-Y1964 PolarHBondContact N-OH 3.32Å; E1961-Y1964 WeakPolarHBondContact O-CE2 3.26Å; E1961-N1982 WeakPolarHBondContact CB-ND2 3.31Å; E1961-N1982 HydrophobicContact CG-CB 4.02Å; E1961-N1982 VanDerWaalsContact CG-ND2 3.26Å; E1961-N1982 WeakPolarHBondContact CG-ND2 3.44Å; E1961-N1982 WeakPolarHBondContact CG-O 3.34Å; E1961-N1982 PolarHBondContact OE2-ND2 3.12Å
1962G76.5Confident80.1Confident52.8 Ų52.862.2 Ų62.254%0.54433%0.333SS..SBendtrans-77.4-28.9179.600000114.9A2053 H2054G1962-A2053 WeakPolarHBondContact O-CA 3.31Å; G1962-A2053 WeakPolarHBondContact O-CB 3.28Å; G1962-H2054 PolarHBondContact O-N 3.01Å; G1962-H2054 VanDerWaalsContact O-N 3.14Å
1963T84.7Confident80.5Confident67 Ų6761.7 Ų61.741%0.41134%0.339SS..EExtended strand (participates in β ladder)trans-148.9137.7-178.858.70000110E1961 N1982 H2054 F2056E1961-T1963 VanDerWaalsContact C-N 3.26Å; E1961-T1963 PolarHBondContact O-N 3.08Å; T1963-N1982 PolarHBondContact O-ND2 3.05Å; T1963-H2054 CarbonylContact C-O 3.44Å; T1963-H2054 WeakPolarHBondContact CA-O 3.34Å; T1963-H2054 HydrophobicContact CG2-CB 4.12Å; T1963-F2056 HydrophobicContact CG2-CD2 4.05Å; T1963-F2056 HydrophobicContact CG2-CE2 3.97Å; T1963-F2056 VanDerWaalsContact CG2-CE2 3.49Å; T1963-F2056 HydrophobicContact CG2-CZ 4.35Å
1964Y86.3Confident80.8Confident3 Ų361.2 Ų61.21%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-110.6150178.3-63.6-88.7000112.2F1959 T1960 E1961 V1980 N1982 G1983 P1984 I1985 L1986 L2041 A2053 H2054 L2055 F2056F1959-Y1964 HydrophobicContact CB-CE2 3.87Å; F1959-Y1964 VanDerWaalsContact CB-CE2 3.5Å; F1959-Y1964 HydrophobicContact CD1-CD2 4.3Å; F1959-Y1964 AromaticContact CD1-CE2 3.54Å; F1959-Y1964 HydrophobicContact CD1-CE2 3.54Å; F1959-Y1964 AromaticContact CD1-CZ 3.77Å; F1959-Y1964 WeakPolarHBondContact CD1-OH 3.29Å; F1959-Y1964 HydrophobicContact CE1-CE2 4.09Å; F1959-Y1964 AromaticContact CG-CE2 3.57Å; F1959-Y1964 HydrophobicContact CG-CE2 3.94Å; T1960-Y1964 PolarHBondContact N-OH 3.11Å; T1960-Y1964 PolarHBondContact OG1-OH 3.22Å; E1961-Y1964 HydrophobicContact CB-CD1 4.2Å; E1961-Y1964 HydrophobicContact CB-CD2 4.49Å; E1961-Y1964 HydrophobicContact CB-CE1 3.96Å; E1961-Y1964 HydrophobicContact CB-CE2 4.18Å; E1961-Y1964 HydrophobicContact CB-CG 4.5Å; E1961-Y1964 VanDerWaalsContact CB-OH 3.3Å; E1961-Y1964 WeakPolarHBondContact CB-OH 3.33Å; E1961-Y1964 HydrophobicContact CG-CD1 4.36Å; E1961-Y1964 HydrophobicContact CG-CE1 4.11Å; E1961-Y1964 PolarHBondContact N-OH 3.32Å; E1961-Y1964 WeakPolarHBondContact O-CE2 3.26Å; Y1964-V1980 HydrophobicContact CD1-CG1 4.02Å; Y1964-V1980 HydrophobicContact CG-CG1 4.33Å; Y1964-N1982 VanDerWaalsContact CA-OD1 3.27Å; Y1964-N1982 WeakPolarHBondContact CA-OD1 3.34Å; Y1964-G1983 WeakPolarHBondContact CE1-O 3.46Å; Y1964-P1984 WeakPolarHBondContact CE1-O 3.43Å; Y1964-P1984 PolarHBondContact OH-O 3.2Å; Y1964-I1985 HydrophobicContact CD1-CG1 3.81Å; Y1964-I1985 HydrophobicContact CD2-CG1 4.23Å; Y1964-I1985 HydrophobicContact CE1-CB 4.37Å; Y1964-I1985 HydrophobicContact CE1-CG1 3.96Å; Y1964-I1985 HydrophobicContact CE2-CG1 4.03Å; Y1964-I1985 HydrophobicContact CE2-CG2 4.48Å; Y1964-I1985 HydrophobicContact CG-CG1 3.94Å; Y1964-L1986 PolarHBondContact OH-N 3.1Å; Y1964-L1986 PolarHBondContact OH-O 2.89Å; Y1964-L2041 HydrophobicContact CD2-CD1 3.64Å; Y1964-L2041 VanDerWaalsContact CD2-CD1 3.42Å; Y1964-L2041 HydrophobicContact CE2-CD1 3.87Å; Y1964-L2041 HydrophobicContact CG-CD1 4.21Å; Y1964-A2053 HydrophobicContact CD2-CB 4.17Å; Y1964-A2053 HydrophobicContact CE2-CB 3.94Å; Y1964-H2054 WeakPolarHBondContact CD2-O 3.32Å; Y1964-H2054 PolarHBondContact N-O 3.07Å; Y1964-L2055 CarbonylContact O-C 3.53Å; Y1964-L2055 VanDerWaalsContact O-CA 3.27Å; Y1964-L2055 WeakPolarHBondContact O-CA 3.35Å; Y1964-F2056 WeakPolarHBondContact O-CB 3.32Å; Y1964-F2056 PolarHBondContact O-N 2.9Å
1965Q86.7Confident81.1Confident100.8 Ų100.858.3 Ų58.347%0.47134%0.338SS..EExtended strand (participates in β ladder)trans-127.3140.3178.5-64.6-176.9-15.400111.1V1980 L1981 N1982 F2056Q1965-V1980 CarbonylContact O-C 3.54Å; Q1965-V1980 VanDerWaalsContact O-CA 3.26Å; Q1965-V1980 WeakPolarHBondContact O-CA 3.32Å; Q1965-V1980 VanDerWaalsContact O-CG1 3.29Å; Q1965-V1980 WeakPolarHBondContact O-CG1 3.25Å; Q1965-L1981 HydrophobicContact CB-CB 4.39Å; Q1965-L1981 HydrophobicContact CB-CD1 4.21Å; Q1965-L1981 HydrophobicContact CB-CG 4.4Å; Q1965-L1981 WeakPolarHBondContact O-CB 3.36Å; Q1965-L1981 PolarHBondContact O-N 2.83Å; Q1965-N1982 PolarHBondContact N-OD1 2.92Å; Q1965-N1982 PolarHBondContact O-OD1 2.82Å; Q1965-F2056 CarbonylContact C-O 3.51Å; Q1965-F2056 WeakPolarHBondContact CA-O 3.41Å; Q1965-F2056 HydrophobicContact CG-CB 4.42Å; Q1965-F2056 HydrophobicContact CG-CD2 4.48Å
1966A86.9Confident81.9Confident2.4 Ų2.457.7 Ų57.72%0.0234%0.337CS..EExtended strand (participates in β ladder)trans-143.9165.7178.700000114.1L1978 T1979 V1980 L2055 F2056 I2057 T2058A1966-L1978 HydrophobicContact CB-CB 4.07Å; A1966-L1978 HydrophobicContact CB-CD1 4.34Å; A1966-L1978 HydrophobicContact CB-CD2 4.16Å; A1966-L1978 HydrophobicContact CB-CG 4.38Å; A1966-T1979 CarbonylContact C-O 3.57Å; A1966-T1979 WeakPolarHBondContact CA-O 3.31Å; A1966-T1979 WeakPolarHBondContact CB-O 3.24Å; A1966-V1980 HydrophobicContact CB-CB 4.42Å; A1966-V1980 HydrophobicContact CB-CG1 4.42Å; A1966-V1980 HydrophobicContact CB-CG2 4.27Å; A1966-L2055 HydrophobicContact CB-CD1 3.75Å; A1966-F2056 PolarHBondContact N-O 3.01Å; A1966-I2057 HydrophobicContact CB-CG1 4.43Å; A1966-I2057 CarbonylContact O-C 3.36Å; A1966-I2057 VanDerWaalsContact O-CA 3.25Å; A1966-I2057 WeakPolarHBondContact O-CA 3.3Å; A1966-T2058 PolarHBondContact O-N 2.92Å
1967E87.1Confident82.3Confident77.4 Ų77.455.7 Ų55.736%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-135.9153.2-177.9-61.7-174.815800113T1979 L1981 T2058 L2060E1967-T1979 PolarHBondContact N-O 2.88Å; E1967-T1979 WeakPolarHBondContact O-CB 3.41Å; E1967-T1979 PolarHBondContact O-N 3.4Å; E1967-T1979 PolarHBondContact O-OG1 3.4Å; E1967-L1981 HydrophobicContact CB-CD2 4.44Å; E1967-L1981 VanDerWaalsContact CD-CD1 3.5Å; E1967-L1981 VanDerWaalsContact CD-CD2 3.45Å; E1967-L1981 HydrophobicContact CG-CD1 3.91Å; E1967-L1981 HydrophobicContact CG-CD2 4.1Å; E1967-L1981 HydrophobicContact CG-CG 4.04Å; E1967-L1981 WeakPolarHBondContact OE1-CD1 3.31Å; E1967-T2058 WeakPolarHBondContact CA-O 3.32Å; E1967-L2060 HydrophobicContact CB-CD1 3.85Å; E1967-L2060 HydrophobicContact CB-CD2 4.17Å; E1967-L2060 HydrophobicContact CB-CG 3.85Å; E1967-L2060 HydrophobicContact CG-CD1 4.44Å; E1967-L2060 HydrophobicContact CG-CD2 3.94Å; E1967-L2060 HydrophobicContact CG-CG 4.19Å
1968V87.6Confident82.5Confident13.8 Ų13.855.8 Ų55.88%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-145.7140.2171.766.40000111.4E1970 S1972 L1978 F2010 V2021 I2027 I2057 T2058 I2059 L2060V1968-E1970 PolarHBondContact O-N 2.9Å; V1968-S1972 WeakPolarHBondContact CG2-OG 3.4Å; V1968-L1978 HydrophobicContact CB-CD2 3.54Å; V1968-L1978 VanDerWaalsContact CB-CD2 3.49Å; V1968-L1978 HydrophobicContact CG1-CD2 4.22Å; V1968-L1978 HydrophobicContact CG2-CD2 3.88Å; V1968-F2010 HydrophobicContact CG1-CZ 4.49Å; V1968-V2021 HydrophobicContact CG2-CG2 3.73Å; V1968-I2027 HydrophobicContact CG1-CD1 4.13Å; V1968-I2027 HydrophobicContact CG2-CD1 4.33Å; V1968-I2057 HydrophobicContact CB-CG2 4.19Å; V1968-I2057 HydrophobicContact CG1-CG2 3.65Å; V1968-T2058 VanDerWaalsContact CG1-O 3.27Å; V1968-T2058 WeakPolarHBondContact CG1-O 3.45Å; V1968-T2058 PolarHBondContact N-O 2.89Å; V1968-T2058 VanDerWaalsContact N-O 3.14Å; V1968-I2059 HydrophobicContact CG1-CB 4.34Å; V1968-I2059 HydrophobicContact CG1-CG1 4.26Å; V1968-I2059 HydrophobicContact CG1-CG2 4.32Å; V1968-I2059 CarbonylContact O-C 3.53Å; V1968-I2059 VanDerWaalsContact O-CA 3.3Å; V1968-I2059 WeakPolarHBondContact O-CA 3.36Å; V1968-L2060 PolarHBondContact O-N 2.84Å
1969M83.3Confident82.6Confident90 Ų9053.9 Ų53.944%0.44333%0.328SS..  trans-78.3145.2174.4-174.768.290.500110.5S1972 L2060M1969-S1972 PolarHBondContact N-OG 3.37Å; M1969-S1972 VanDerWaalsContact O-CB 3.24Å; M1969-S1972 WeakPolarHBondContact O-CB 3.35Å; M1969-S1972 PolarHBondContact O-N 3.17Å; M1969-S1972 PolarHBondContact O-OG 3.05Å; M1969-L2060 HydrophobicContact CB-CD1 4.22Å; M1969-L2060 HydrophobicContact CE-CB 4.09Å; M1969-L2060 HydrophobicContact CE-CD1 3.98Å; M1969-L2060 HydrophobicContact SD-CB 3.66Å; M1969-L2060 WeakPolarHBondContact SD-CB 3.49Å; M1969-L2060 HydrophobicContact SD-CD1 3.77Å; M1969-L2060 VanDerWaalsContact SD-CD1 3.55Å; M1969-L2060 HydrophobicContact SD-CG 4.29Å
1970E82.2Confident82.5Confident14.8 Ų14.854.9 Ų54.97%0.06934%0.336CS..THydrogen-bonded Turntrans-61.9160.6168.877.4172.9129.400111.8V1968 S1972 I2027 D2028 R2029 I2059 L2060 D2061 D2062V1968-E1970 PolarHBondContact O-N 2.9Å; E1970-S1972 PolarHBondContact O-N 2.95Å; E1970-S1972 VanDerWaalsContact O-N 3.07Å; E1970-I2027 WeakPolarHBondContact CA-O 3.43Å; E1970-I2027 HydrophobicContact CB-CG2 4.41Å; E1970-D2028 WeakPolarHBondContact OE2-CA 3.49Å; E1970-R2029 HydrophobicContact CB-CB 4.16Å; E1970-R2029 VanDerWaalsContact CD-CB 3.47Å; E1970-R2029 HydrophobicContact CG-CB 4.33Å; E1970-R2029 VanDerWaalsContact OE1-CB 3.25Å; E1970-R2029 WeakPolarHBondContact OE1-CB 3.38Å; E1970-R2029 WeakPolarHBondContact OE2-CB 3.37Å; E1970-R2029 PolarHBondContact OE2-N 2.96Å; E1970-I2059 HydrophobicContact CB-CG2 4.13Å; E1970-L2060 WeakPolarHBondContact CB-O 3.14Å; E1970-L2060 VanDerWaalsContact CG-O 3.24Å; E1970-L2060 WeakPolarHBondContact CG-O 3.33Å; E1970-L2060 PolarHBondContact N-O 3.42Å; E1970-D2061 VanDerWaalsContact OE1-CA 3.31Å; E1970-D2061 WeakPolarHBondContact OE1-CA 3.3Å; E1970-D2062 HydrophobicContact CG-CB 3.86Å; E1970-D2062 PolarHBondContact OE1-N 2.9Å
1971N80.3Confident82.6Confident95.8 Ų95.856 Ų5651%0.51234%0.339SS..THydrogen-bonded Turntrans56.112.8-173.8-63.7-64.7000115.4I2026 I2027N1971-I2026 WeakPolarHBondContact OD1-CG2 3.37Å; N1971-I2027 WeakPolarHBondContact CA-O 3.27Å; N1971-I2027 PolarHBondContact N-O 3.1Å
1972S80.1Confident82.7Confident21.8 Ų21.854.2 Ų54.215%0.15233%0.332CS..PPolyproline II helixtrans-61.3141.9178.9-62.40000113.5V1968 M1969 E1970V1968-S1972 WeakPolarHBondContact CG2-OG 3.4Å; M1969-S1972 PolarHBondContact N-OG 3.37Å; M1969-S1972 VanDerWaalsContact O-CB 3.24Å; M1969-S1972 WeakPolarHBondContact O-CB 3.35Å; M1969-S1972 PolarHBondContact O-N 3.17Å; M1969-S1972 PolarHBondContact O-OG 3.05Å; E1970-S1972 PolarHBondContact O-N 2.95Å; E1970-S1972 VanDerWaalsContact O-N 3.07Å
1973P79.9Confident82.7Confident94.4 Ų94.453.1 Ų53.161%0.61332%0.322SS*.PPolyproline II helixtrans-74154.4-179.620.4-21.9000113.5G1975 T1976P1973-G1975 PolarHBondContact O-N 3.35Å; P1973-T1976 WeakPolarHBondContact CD-OG1 3.43Å; P1973-T1976 WeakPolarHBondContact CG-OG1 3.36Å; P1973-T1976 VanDerWaalsContact O-CB 3.3Å; P1973-T1976 WeakPolarHBondContact O-CB 3.16Å; P1973-T1976 PolarHBondContact O-N 3.27Å; P1973-T1976 VanDerWaalsContact O-N 3.17Å; P1973-T1976 PolarHBondContact O-OG1 3.09Å
1974A79Confident82.5Confident52.8 Ų52.854.7 Ų54.744%0.43633%0.333SS..THydrogen-bonded Turntrans-56.3137.8174.200000113.6T1976A1974-T1976 VanDerWaalsContact C-N 3.32Å; A1974-T1976 PolarHBondContact O-N 3.11Å
1975G80.3Confident82.5Confident44.2 Ų44.255.4 Ų55.446%0.45634%0.337SS..THydrogen-bonded Turntrans85.6-0.2179.900000114.9P1973 V2021P1973-G1975 PolarHBondContact O-N 3.35Å; G1975-V2021 WeakPolarHBondContact CA-O 3.34Å; G1975-V2021 PolarHBondContact N-O 2.99Å; G1975-V2021 VanDerWaalsContact N-O 3.09Å
1976T83.2Confident82.3Confident45 Ų4554.4 Ų54.428%0.27633%0.334SS..PPolyproline II helixtrans-60127.5172.6-57.90000110P1973 A1974 T2020 V2021P1973-T1976 WeakPolarHBondContact CD-OG1 3.43Å; P1973-T1976 WeakPolarHBondContact CG-OG1 3.36Å; P1973-T1976 VanDerWaalsContact O-CB 3.3Å; P1973-T1976 WeakPolarHBondContact O-CB 3.16Å; P1973-T1976 PolarHBondContact O-N 3.27Å; P1973-T1976 VanDerWaalsContact O-N 3.17Å; P1973-T1976 PolarHBondContact O-OG1 3.09Å; A1974-T1976 VanDerWaalsContact C-N 3.32Å; A1974-T1976 PolarHBondContact O-N 3.11Å; T1976-T2020 CarbonylContact O-C 3.56Å; T1976-T2020 WeakPolarHBondContact O-CA 3.36Å; T1976-V2021 VanDerWaalsContact O-CB 3.27Å; T1976-V2021 WeakPolarHBondContact O-CB 3.31Å; T1976-V2021 VanDerWaalsContact O-CG2 3.27Å; T1976-V2021 WeakPolarHBondContact O-CG2 3.43Å; T1976-V2021 PolarHBondContact O-N 3.06Å
1977P83.1Confident82.1Confident77.4 Ų77.454.7 Ų54.750%0.50334%0.337SS..BIsolated β-bridgetrans-69.5146.7174.229.5-33.9000111V2018 T2020P1977-V2018 HydrophobicContact CB-CG1 4.41Å; P1977-T2020 HydrophobicContact CB-CG2 4.27Å
1978L85Confident81.6Confident13.6 Ų13.656.4 Ų56.47%0.07135%0.347CS..PPolyproline II helixtrans-70133.6170.1-75.3-178.9000109.9A1966 V1968 V1980 F2010 V2019 L2055 I2057A1966-L1978 HydrophobicContact CB-CB 4.07Å; A1966-L1978 HydrophobicContact CB-CD1 4.34Å; A1966-L1978 HydrophobicContact CB-CD2 4.16Å; A1966-L1978 HydrophobicContact CB-CG 4.38Å; V1968-L1978 HydrophobicContact CB-CD2 3.54Å; V1968-L1978 VanDerWaalsContact CB-CD2 3.49Å; V1968-L1978 HydrophobicContact CG1-CD2 4.22Å; V1968-L1978 HydrophobicContact CG2-CD2 3.88Å; L1978-V1980 VanDerWaalsContact C-N 3.29Å; L1978-V1980 PolarHBondContact O-N 3.18Å; L1978-V1980 VanDerWaalsContact O-N 3.12Å; L1978-F2010 HydrophobicContact CD1-CD1 3.74Å; L1978-F2010 HydrophobicContact CD1-CE1 3.94Å; L1978-F2010 HydrophobicContact CD1-CG 4.23Å; L1978-F2010 HydrophobicContact CD1-CZ 4.49Å; L1978-F2010 HydrophobicContact CD2-CD1 4.23Å; L1978-F2010 HydrophobicContact CD2-CE1 3.72Å; L1978-F2010 HydrophobicContact CD2-CZ 4.42Å; L1978-F2010 HydrophobicContact CG-CD1 4.02Å; L1978-F2010 HydrophobicContact CG-CE1 4.04Å; L1978-V2019 HydrophobicContact CB-CB 4.36Å; L1978-V2019 WeakPolarHBondContact CB-O 3.39Å; L1978-V2019 HydrophobicContact CD1-CB 4.01Å; L1978-V2019 HydrophobicContact CD1-CG1 3.67Å; L1978-V2019 HydrophobicContact CG-CB 4.16Å; L1978-V2019 HydrophobicContact CG-CG1 4.23Å; L1978-V2019 PolarHBondContact N-O 3.01Å; L1978-L2055 HydrophobicContact CD1-CD2 4.2Å; L1978-I2057 HydrophobicContact CD1-CD1 3.68Å; L1978-I2057 VanDerWaalsContact CD1-CD1 3.46Å; L1978-I2057 HydrophobicContact CD1-CG1 4.3Å; L1978-I2057 HydrophobicContact CD1-CG2 4.46Å; L1978-I2057 HydrophobicContact CD2-CD1 4.39Å; L1978-I2057 HydrophobicContact CD2-CG2 3.88Å
1979T81.7Confident81.1Confident90.4 Ų90.457.2 Ų57.256%0.55535%0.351SS*.EExtended strand (participates in β ladder)trans-80.892.7174.8-45.50000109A1966 E1967 L1981A1966-T1979 CarbonylContact C-O 3.57Å; A1966-T1979 WeakPolarHBondContact CA-O 3.31Å; A1966-T1979 WeakPolarHBondContact CB-O 3.24Å; E1967-T1979 PolarHBondContact N-O 2.88Å; E1967-T1979 WeakPolarHBondContact O-CB 3.41Å; E1967-T1979 PolarHBondContact O-N 3.4Å; E1967-T1979 PolarHBondContact O-OG1 3.4Å; T1979-L1981 HydrophobicContact CG2-CD2 4.28Å; T1979-L1981 PolarHBondContact O-N 3.15Å
1980V82.1Confident80.4Confident42.4 Ų42.455.7 Ų55.726%0.25735%0.353SS..EExtended strand (participates in β ladder)trans-76.1117.6179-170.10000109.6Y1964 Q1965 A1966 L1978 N1982 G1983 I1985Y1964-V1980 HydrophobicContact CD1-CG1 4.02Å; Y1964-V1980 HydrophobicContact CG-CG1 4.33Å; Q1965-V1980 CarbonylContact O-C 3.54Å; Q1965-V1980 VanDerWaalsContact O-CA 3.26Å; Q1965-V1980 WeakPolarHBondContact O-CA 3.32Å; Q1965-V1980 VanDerWaalsContact O-CG1 3.29Å; Q1965-V1980 WeakPolarHBondContact O-CG1 3.25Å; A1966-V1980 HydrophobicContact CB-CB 4.42Å; A1966-V1980 HydrophobicContact CB-CG1 4.42Å; A1966-V1980 HydrophobicContact CB-CG2 4.27Å; L1978-V1980 VanDerWaalsContact C-N 3.29Å; L1978-V1980 PolarHBondContact O-N 3.18Å; L1978-V1980 VanDerWaalsContact O-N 3.12Å; V1980-N1982 PolarHBondContact O-N 2.96Å; V1980-N1982 VanDerWaalsContact O-N 3.14Å; V1980-G1983 WeakPolarHBondContact CB-O 3.2Å; V1980-G1983 WeakPolarHBondContact CG1-O 3.32Å; V1980-I1985 HydrophobicContact CG1-CG1 4.32Å; V1980-I1985 HydrophobicContact CG2-CD1 4.08Å; V1980-I1985 HydrophobicContact CG2-CG1 4.16Å
1981L79.8Confident80.1Confident88.2 Ų88.256 Ų5646%0.46236%0.355SS..THydrogen-bonded Turntrans-76.4-32.2-168-60.3-179.8000113.7Q1965 E1967 T1979 G1983Q1965-L1981 HydrophobicContact CB-CB 4.39Å; Q1965-L1981 HydrophobicContact CB-CD1 4.21Å; Q1965-L1981 HydrophobicContact CB-CG 4.4Å; Q1965-L1981 WeakPolarHBondContact O-CB 3.36Å; Q1965-L1981 PolarHBondContact O-N 2.83Å; E1967-L1981 HydrophobicContact CB-CD2 4.44Å; E1967-L1981 VanDerWaalsContact CD-CD1 3.5Å; E1967-L1981 VanDerWaalsContact CD-CD2 3.45Å; E1967-L1981 HydrophobicContact CG-CD1 3.91Å; E1967-L1981 HydrophobicContact CG-CD2 4.1Å; E1967-L1981 HydrophobicContact CG-CG 4.04Å; E1967-L1981 WeakPolarHBondContact OE1-CD1 3.31Å; T1979-L1981 HydrophobicContact CG2-CD2 4.28Å; T1979-L1981 PolarHBondContact O-N 3.15Å; L1981-G1983 PolarHBondContact O-N 3.36Å
1982N81.5Confident79.6Confident49.4 Ų49.457.1 Ų57.126%0.26436%0.357SS..THydrogen-bonded Turntrans-111.129.1-173.667.8-48.7000114.8E1961 T1963 Y1964 Q1965 V1980E1961-N1982 WeakPolarHBondContact CB-ND2 3.31Å; E1961-N1982 HydrophobicContact CG-CB 4.02Å; E1961-N1982 VanDerWaalsContact CG-ND2 3.26Å; E1961-N1982 WeakPolarHBondContact CG-ND2 3.44Å; E1961-N1982 WeakPolarHBondContact CG-O 3.34Å; E1961-N1982 PolarHBondContact OE2-ND2 3.12Å; T1963-N1982 PolarHBondContact O-ND2 3.05Å; Y1964-N1982 VanDerWaalsContact CA-OD1 3.27Å; Y1964-N1982 WeakPolarHBondContact CA-OD1 3.34Å; Q1965-N1982 PolarHBondContact N-OD1 2.92Å; Q1965-N1982 PolarHBondContact O-OD1 2.82Å; V1980-N1982 PolarHBondContact O-N 2.96Å; V1980-N1982 VanDerWaalsContact O-N 3.14Å
1983G75.4Confident78.9Confident31.4 Ų31.463.2 Ų63.232%0.32439%0.388SS..  trans107174.5170.800000115.9Y1964 V1980 L1981Y1964-G1983 WeakPolarHBondContact CE1-O 3.46Å; V1980-G1983 WeakPolarHBondContact CB-O 3.2Å; V1980-G1983 WeakPolarHBondContact CG1-O 3.32Å; L1981-G1983 PolarHBondContact O-N 3.36Å
1984P81.7Confident78.5Confident100.6 Ų100.663.2 Ų63.265%0.65339%0.386SS*.  trans-76.9159.5179.632.8-34.1000112.1Y1964 L1986Y1964-P1984 WeakPolarHBondContact CE1-O 3.43Å; Y1964-P1984 PolarHBondContact OH-O 3.2Å; P1984-L1986 PolarHBondContact O-N 3.17Å; P1984-L1986 VanDerWaalsContact O-N 3.13Å
1985I84.8Confident78.2Confident16.8 Ų16.865.9 Ų65.99%0.08639%0.386CS..  trans-82.3115.8178.3-65.3164.4000110.2F1959 T1960 Y1964 V1980 Y2000 I2012 G2017 V2019 L2041 L2055F1959-I1985 HydrophobicContact CD1-CG2 4.33Å; F1959-I1985 HydrophobicContact CE1-CG2 3.9Å; T1960-I1985 VanDerWaalsContact OG1-CA 3.3Å; T1960-I1985 WeakPolarHBondContact OG1-CA 3.39Å; Y1964-I1985 HydrophobicContact CD1-CG1 3.81Å; Y1964-I1985 HydrophobicContact CD2-CG1 4.23Å; Y1964-I1985 HydrophobicContact CE1-CB 4.37Å; Y1964-I1985 HydrophobicContact CE1-CG1 3.96Å; Y1964-I1985 HydrophobicContact CE2-CG1 4.03Å; Y1964-I1985 HydrophobicContact CE2-CG2 4.48Å; Y1964-I1985 HydrophobicContact CG-CG1 3.94Å; V1980-I1985 HydrophobicContact CG1-CG1 4.32Å; V1980-I1985 HydrophobicContact CG2-CD1 4.08Å; V1980-I1985 HydrophobicContact CG2-CG1 4.16Å; I1985-Y2000 HydrophobicContact CG2-CD1 4.28Å; I1985-Y2000 HydrophobicContact CG2-CE1 4.29Å; I1985-I2012 HydrophobicContact CD1-CD1 4.5Å; I1985-G2017 WeakPolarHBondContact CB-O 3.42Å; I1985-G2017 WeakPolarHBondContact CD1-O 3.35Å; I1985-V2019 HydrophobicContact CD1-CB 4.38Å; I1985-V2019 HydrophobicContact CD1-CG2 3.99Å; I1985-L2041 HydrophobicContact CD1-CD1 3.97Å; I1985-L2041 HydrophobicContact CD1-CD2 4.12Å; I1985-L2041 HydrophobicContact CD1-CG 4.48Å; I1985-L2041 HydrophobicContact CG1-CD1 3.92Å; I1985-L2041 HydrophobicContact CG2-CD1 3.95Å; I1985-L2041 HydrophobicContact CG2-CD2 4.29Å; I1985-L2055 HydrophobicContact CD1-CD1 4.1Å; I1985-L2055 HydrophobicContact CD1-CD2 4.33Å
1986L83.5Confident77.4Confident80.4 Ų80.465.8 Ų65.842%0.42138%0.381SS..  trans-146.6143.8-175.7-172.661.5000112.1F1959 T1960 Y1964 P1984 L1988 Y2000F1959-L1986 CarbonylContact C-O 3.59Å; F1959-L1986 WeakPolarHBondContact CA-O 3.28Å; F1959-L1986 WeakPolarHBondContact CD1-O 3.43Å; T1960-L1986 HydrophobicContact CG2-CB 4.02Å; T1960-L1986 HydrophobicContact CG2-CD2 4.13Å; T1960-L1986 HydrophobicContact CG2-CG 4.14Å; T1960-L1986 VanDerWaalsContact CG2-N 3.27Å; T1960-L1986 WeakPolarHBondContact CG2-O 3.34Å; T1960-L1986 PolarHBondContact N-O 3.04Å; T1960-L1986 PolarHBondContact OG1-N 2.98Å; T1960-L1986 PolarHBondContact OG1-O 3.26Å; Y1964-L1986 PolarHBondContact OH-N 3.1Å; Y1964-L1986 PolarHBondContact OH-O 2.89Å; P1984-L1986 PolarHBondContact O-N 3.17Å; P1984-L1986 VanDerWaalsContact O-N 3.13Å; L1986-L1988 HydrophobicContact CD1-CD2 4.41Å; L1986-L1988 HydrophobicContact CD2-CD2 3.89Å; L1986-L1988 HydrophobicContact CD2-CG 4.36Å; L1986-L1988 HydrophobicContact CG-CD2 3.97Å; L1986-L1988 HydrophobicContact CG-CG 4.33Å; L1986-Y2000 WeakPolarHBondContact CA-OH 3.35Å
1987A81.6Confident77Confident8.4 Ų8.467.4 Ų67.47%0.06939%0.391CS..EExtended strand (participates in β ladder)trans-131.4146.2170.100000111.8P1957 L1958 F1959 V1998 Y2000 A2043P1957-A1987 HydrophobicContact CB-CB 4.24Å; L1958-A1987 CarbonylContact O-C 3.5Å; L1958-A1987 VanDerWaalsContact O-CA 3.29Å; L1958-A1987 WeakPolarHBondContact O-CA 3.3Å; L1958-A1987 VanDerWaalsContact O-CB 3.29Å; L1958-A1987 WeakPolarHBondContact O-CB 3.43Å; F1959-A1987 HydrophobicContact CD1-CB 3.99Å; F1959-A1987 HydrophobicContact CD2-CB 4.43Å; F1959-A1987 HydrophobicContact CE1-CB 3.95Å; F1959-A1987 HydrophobicContact CG-CB 4.21Å; F1959-A1987 HydrophobicContact CZ-CB 4.4Å; A1987-V1998 HydrophobicContact CB-CB 4.4Å; A1987-V1998 HydrophobicContact CB-CG1 3.97Å; A1987-V1998 HydrophobicContact CB-CG2 4.35Å; A1987-Y2000 HydrophobicContact CB-CE1 4.14Å; A1987-Y2000 PolarHBondContact N-OH 3.06Å; A1987-Y2000 VanDerWaalsContact N-OH 3.15Å; A1987-Y2000 PolarHBondContact O-OH 2.96Å; A1987-A2043 HydrophobicContact CB-CB 3.99Å; A1987-A2043 VanDerWaalsContact CB-CB 3.42Å
1988L76.4Confident76.7Confident111.8 Ų111.865.3 Ų65.359%0.58538%0.376SS*.EExtended strand (participates in β ladder)trans-128.3146.6-178.5-64.5177.9000111.3P1957 L1958 T1960 L1986P1957-L1988 CarbonylContact C-O 3.58Å; P1957-L1988 VanDerWaalsContact CA-O 3.28Å; P1957-L1988 WeakPolarHBondContact CA-O 3.48Å; P1957-L1988 WeakPolarHBondContact CB-O 3.44Å; L1958-L1988 CarbonylContact C-O 3.51Å; L1958-L1988 WeakPolarHBondContact CA-O 3.09Å; L1958-L1988 PolarHBondContact N-O 3.01Å; L1958-L1988 CarbonylContact O-C 3.51Å; L1958-L1988 PolarHBondContact O-N 2.91Å; T1960-L1988 HydrophobicContact CG2-CD1 3.8Å; T1960-L1988 HydrophobicContact CG2-CG 3.95Å; L1986-L1988 HydrophobicContact CD1-CD2 4.41Å; L1986-L1988 HydrophobicContact CD2-CD2 3.89Å; L1986-L1988 HydrophobicContact CD2-CG 4.36Å; L1986-L1988 HydrophobicContact CG-CD2 3.97Å; L1986-L1988 HydrophobicContact CG-CG 4.33Å
1989D77.2Confident76.7Confident31 Ų3168.1 Ų68.117%0.16639%0.394CS..  trans-121.3160.8172.8-148.5-47.4000111.4N1955 H1956 P1957 D1991 A1996 V1997 V1998N1955-D1989 VanDerWaalsContact CB-OD1 3.27Å; N1955-D1989 WeakPolarHBondContact CB-OD1 3.28Å; H1956-D1989 VanDerWaalsContact C-CG 3.47Å; H1956-D1989 VanDerWaalsContact C-OD2 3.27Å; H1956-D1989 PolarHBondContact N-OD1 3.3Å; P1957-D1989 WeakPolarHBondContact CA-OD2 3.27Å; P1957-D1989 HydrophobicContact CB-CB 4.33Å; P1957-D1989 VanDerWaalsContact CD-OD2 3.26Å; P1957-D1989 WeakPolarHBondContact CD-OD2 3.27Å; P1957-D1989 HydrophobicContact CG-CB 4.35Å; P1957-D1989 VanDerWaalsContact CG-OD2 3.23Å; P1957-D1989 WeakPolarHBondContact CG-OD2 3.3Å; P1957-D1989 VanDerWaalsContact N-OD2 3.1Å; D1989-D1991 VanDerWaalsContact OD1-CB 3.26Å; D1989-D1991 WeakPolarHBondContact OD1-CB 2.97Å; D1989-D1991 PolarHBondContact OD1-N 3.12Å; D1989-A1996 HydrophobicContact CB-CB 4.26Å; D1989-A1996 VanDerWaalsContact CG-CA 3.45Å; D1989-A1996 WeakPolarHBondContact OD1-CA 3.32Å; D1989-A1996 VanDerWaalsContact OD2-CA 3.27Å; D1989-A1996 WeakPolarHBondContact OD2-CA 3.38Å; D1989-V1997 PolarHBondContact OD2-N 2.93Å; D1989-V1998 HydrophobicContact CB-CG2 3.89Å
1990A68.9Low76.9Confident58.8 Ų58.865 Ų6549%0.48637%0.372SS..  trans-107.5-30.9-168.100000116.7R1916 E1917 N1955 Y1995R1916-A1990 PolarHBondContact NH2-O 2.94Å; E1917-A1990 HydrophobicContact CG-CB 3.87Å; N1955-A1990 HydrophobicContact CB-CB 3.99Å; A1990-Y1995 HydrophobicContact CB-CG 4.46Å
1991D77Confident77.2Confident21.6 Ų21.668.1 Ų68.112%0.11638%0.384CS..SBendtrans-76.7173-173.7-77.8-2.5000114.5D1951 N1953 D1954 N1955 D1989 Y1995 A1996D1951-D1991 VanDerWaalsContact OD1-CA 3.23Å; D1951-D1991 WeakPolarHBondContact OD1-CA 3.45Å; N1953-D1991 WeakPolarHBondContact CA-OD2 3.33Å; N1953-D1991 VanDerWaalsContact CG-OD2 3.29Å; N1953-D1991 PolarHBondContact ND2-OD2 2.92Å; N1953-D1991 PolarHBondContact OD1-OD2 3.46Å; D1954-D1991 PolarHBondContact N-OD1 3.44Å; D1954-D1991 PolarHBondContact N-OD2 3.06Å; N1955-D1991 HydrophobicContact CB-CB 3.87Å; N1955-D1991 VanDerWaalsContact CB-OD1 3.25Å; N1955-D1991 WeakPolarHBondContact CB-OD1 3.23Å; N1955-D1991 PolarHBondContact N-OD1 3Å; N1955-D1991 VanDerWaalsContact N-OD1 3.11Å; N1955-D1991 PolarHBondContact N-OD2 3.38Å; N1955-D1991 VanDerWaalsContact N-OD2 3.14Å; N1955-D1991 PolarHBondContact ND2-OD1 2.99Å; D1989-D1991 VanDerWaalsContact OD1-CB 3.26Å; D1989-D1991 WeakPolarHBondContact OD1-CB 2.97Å; D1989-D1991 PolarHBondContact OD1-N 3.12Å; D1991-Y1995 HydrophobicContact CB-CD2 3.98Å; D1991-Y1995 HydrophobicContact CB-CE2 3.8Å; D1991-Y1995 VanDerWaalsContact N-CD2 3.27Å; D1991-Y1995 WeakPolarHBondContact O-CD2 3.28Å; D1991-A1996 VanDerWaalsContact O-CB 3.28Å; D1991-A1996 WeakPolarHBondContact O-CB 3.27Å
1992E69Low77.5Confident118.2 Ų118.265.3 Ų65.355%0.55237%0.369SS*.SBendtrans-90.1155.5-176-136.3175.7-160.200114.3R1916 D1951 V1994 Y1995 A1996R1916-E1992 IonicContact CZ-OE1 3.55Å; R1916-E1992 IonicContact CZ-OE2 3.1Å; R1916-E1992 IonicContact NH1-OE1 3.54Å; R1916-E1992 PolarHBondContact NH1-OE1 2.84Å; R1916-E1992 IonicContact NH1-OE2 3.51Å; R1916-E1992 PolarHBondContact NH1-OE2 3.15Å; R1916-E1992 IonicContact NH2-OE1 3.6Å; R1916-E1992 IonicContact NH2-OE2 2.73Å; D1951-E1992 HydrophobicContact CB-CB 4.01Å; D1951-E1992 VanDerWaalsContact CG-CB 3.46Å; D1951-E1992 PolarHBondContact OD1-N 2.7Å; D1951-E1992 VanDerWaalsContact OD1-N 3.16Å; D1951-E1992 PolarHBondContact OD2-N 2.81Å; E1992-V1994 PolarHBondContact O-N 3.11Å; E1992-Y1995 PolarHBondContact O-N 2.73Å; E1992-Y1995 VanDerWaalsContact O-N 3.1Å; E1992-A1996 PolarHBondContact O-N 2.91Å; E1992-A1996 VanDerWaalsContact O-N 3.16Å
1993D66.1Low77.6Confident150 Ų15067.3 Ų67.380%0.80238%0.379SS*.THydrogen-bonded Turntrans54.3-93.7-179.9-84.7-23.5000116.4V1997D1993-V1997 WeakPolarHBondContact O-CG2 3.21Å
1994V71.4Confident77.8Confident94.4 Ų94.467.7 Ų67.757%0.57238%0.383SS*.THydrogen-bonded Turntrans-98.6-5.3-166.7-141.60000114.2E1992 A1996 V1997 I2046E1992-V1994 PolarHBondContact O-N 3.11Å; V1994-A1996 VanDerWaalsContact C-N 3.32Å; V1994-A1996 PolarHBondContact O-N 3.01Å; V1994-V1997 WeakPolarHBondContact O-CB 3.39Å; V1994-V1997 PolarHBondContact O-N 2.77Å; V1994-I2046 HydrophobicContact CG1-CB 4.17Å; V1994-I2046 HydrophobicContact CG1-CD1 3.59Å; V1994-I2046 HydrophobicContact CG1-CG1 4.44Å; V1994-I2046 HydrophobicContact CG1-CG2 3.93Å; V1994-I2046 WeakPolarHBondContact O-CD1 3.07Å
1995Y72.7Confident77.4Confident110.6 Ų110.668.6 Ų68.643%0.43439%0.387SS..THydrogen-bonded Turntrans-92-21.7-177.2-59.6-61.8000113.7N1953 A1990 D1991 E1992 V1997N1953-Y1995 HydrophobicContact CB-CD1 3.72Å; N1953-Y1995 HydrophobicContact CB-CD2 4.12Å; N1953-Y1995 HydrophobicContact CB-CE1 4.17Å; N1953-Y1995 HydrophobicContact CB-CE2 4.02Å; N1953-Y1995 HydrophobicContact CB-CG 3.96Å; N1953-Y1995 WeakPolarHBondContact ND2-CD1 3.38Å; N1953-Y1995 VanDerWaalsContact ND2-CG 3.29Å; N1953-Y1995 WeakPolarHBondContact OD1-CB 3.3Å; N1953-Y1995 WeakPolarHBondContact OD1-CD1 3.27Å; N1953-Y1995 VanDerWaalsContact OD1-CD2 3.31Å; N1953-Y1995 WeakPolarHBondContact OD1-CD2 3.34Å; N1953-Y1995 WeakPolarHBondContact OD1-CE1 3.42Å; N1953-Y1995 WeakPolarHBondContact OD1-CE2 3.46Å; N1953-Y1995 VanDerWaalsContact OD1-CG 3.25Å; A1990-Y1995 HydrophobicContact CB-CG 4.46Å; D1991-Y1995 HydrophobicContact CB-CD2 3.98Å; D1991-Y1995 HydrophobicContact CB-CE2 3.8Å; D1991-Y1995 VanDerWaalsContact N-CD2 3.27Å; D1991-Y1995 WeakPolarHBondContact O-CD2 3.28Å; E1992-Y1995 PolarHBondContact O-N 2.73Å; E1992-Y1995 VanDerWaalsContact O-N 3.1Å; Y1995-V1997 PolarHBondContact O-N 2.99Å; Y1995-V1997 VanDerWaalsContact O-N 3.11Å
1996A62.2Low77Confident42.4 Ų42.471.5 Ų71.535%0.3540%0.401SS..  trans-9036174.900000119D1989 D1991 E1992 V1994 V1998 I2046D1989-A1996 HydrophobicContact CB-CB 4.26Å; D1989-A1996 VanDerWaalsContact CG-CA 3.45Å; D1989-A1996 WeakPolarHBondContact OD1-CA 3.32Å; D1989-A1996 VanDerWaalsContact OD2-CA 3.27Å; D1989-A1996 WeakPolarHBondContact OD2-CA 3.38Å; D1991-A1996 VanDerWaalsContact O-CB 3.28Å; D1991-A1996 WeakPolarHBondContact O-CB 3.27Å; E1992-A1996 PolarHBondContact O-N 2.91Å; E1992-A1996 VanDerWaalsContact O-N 3.16Å; V1994-A1996 VanDerWaalsContact C-N 3.32Å; V1994-A1996 PolarHBondContact O-N 3.01Å; A1996-V1998 PolarHBondContact O-N 3.1Å; A1996-I2046 VanDerWaalsContact N-CG2 3.3Å
1997V74.8Confident76.6Confident78 Ų7869.7 Ų69.747%0.47340%0.395SS..  trans-124.9129-178.2-170.40000113.2D1989 D1993 V1994 Y1995 D2045 I2046D1989-V1997 PolarHBondContact OD2-N 2.93Å; D1993-V1997 WeakPolarHBondContact O-CG2 3.21Å; V1994-V1997 WeakPolarHBondContact O-CB 3.39Å; V1994-V1997 PolarHBondContact O-N 2.77Å; Y1995-V1997 PolarHBondContact O-N 2.99Å; Y1995-V1997 VanDerWaalsContact O-N 3.11Å; V1997-D2045 VanDerWaalsContact O-CA 3.27Å; V1997-D2045 WeakPolarHBondContact O-CA 3.32Å; V1997-D2045 WeakPolarHBondContact O-CB 3.2Å; V1997-I2046 HydrophobicContact CB-CD1 4.04Å; V1997-I2046 HydrophobicContact CB-CG1 4.38Å; V1997-I2046 HydrophobicContact CG1-CD1 4.2Å; V1997-I2046 HydrophobicContact CG2-CB 3.87Å; V1997-I2046 HydrophobicContact CG2-CD1 4.2Å; V1997-I2046 HydrophobicContact CG2-CG1 3.58Å
1998V77.8Confident76.6Confident32 Ų3273.6 Ų73.619%0.19441%0.414CS..  trans-123151.9-175.1-150.30000114.9P1957 A1987 D1989 A1996 Y2000 A2043 E2044P1957-V1998 HydrophobicContact CB-CB 4.42Å; P1957-V1998 HydrophobicContact CB-CG1 3.99Å; P1957-V1998 HydrophobicContact CB-CG2 4.15Å; P1957-V1998 HydrophobicContact CG-CG1 4.19Å; P1957-V1998 HydrophobicContact CG-CG2 4.13Å; A1987-V1998 HydrophobicContact CB-CB 4.4Å; A1987-V1998 HydrophobicContact CB-CG1 3.97Å; A1987-V1998 HydrophobicContact CB-CG2 4.35Å; D1989-V1998 HydrophobicContact CB-CG2 3.89Å; A1996-V1998 PolarHBondContact O-N 3.1Å; V1998-Y2000 HydrophobicContact CG1-CE1 4.4Å; V1998-A2043 HydrophobicContact CG1-CB 3.74Å; V1998-A2043 VanDerWaalsContact CG1-CB 3.44Å; V1998-E2044 WeakPolarHBondContact CA-O 3.36Å; V1998-E2044 WeakPolarHBondContact CG1-O 3.43Å
1999T84.1Confident76.9Confident73.2 Ų73.269.9 Ų69.945%0.44940%0.395SS..EExtended strand (participates in β ladder)trans-134.3158.3175.9640000115A2043 E2044T1999-A2043 CarbonylContact O-C 3.59Å; T1999-A2043 VanDerWaalsContact O-CA 3.24Å; T1999-A2043 WeakPolarHBondContact O-CA 3.27Å; T1999-A2043 WeakPolarHBondContact O-CB 3.36Å; T1999-E2044 PolarHBondContact N-O 2.77Å; T1999-E2044 PolarHBondContact O-N 2.8Å; T1999-E2044 PolarHBondContact OG1-O 3.24Å
2000Y87.2Confident77.5Confident24.8 Ų24.868.8 Ų68.810%0.09739%0.389CS..EExtended strand (participates in β ladder)trans-126151.8-171.8-52-75000117.4F1959 I1985 L1986 A1987 V1998 N2014 L2042 A2043F1959-Y2000 HydrophobicContact CD1-CE1 4.26Å; F1959-Y2000 AromaticContact CE1-CD1 3.78Å; F1959-Y2000 HydrophobicContact CE1-CD1 3.91Å; F1959-Y2000 AromaticContact CE1-CE1 3.79Å; F1959-Y2000 HydrophobicContact CE1-CE1 3.84Å; F1959-Y2000 HydrophobicContact CZ-CD1 4.23Å; F1959-Y2000 HydrophobicContact CZ-CE1 4.4Å; I1985-Y2000 HydrophobicContact CG2-CD1 4.28Å; I1985-Y2000 HydrophobicContact CG2-CE1 4.29Å; L1986-Y2000 WeakPolarHBondContact CA-OH 3.35Å; A1987-Y2000 HydrophobicContact CB-CE1 4.14Å; A1987-Y2000 PolarHBondContact N-OH 3.06Å; A1987-Y2000 VanDerWaalsContact N-OH 3.15Å; A1987-Y2000 PolarHBondContact O-OH 2.96Å; V1998-Y2000 HydrophobicContact CG1-CE1 4.4Å; Y2000-N2014 WeakPolarHBondContact CD2-O 3.44Å; Y2000-N2014 PolarHBondContact N-O 2.79Å; Y2000-N2014 WeakPolarHBondContact O-CA 3.16Å; Y2000-L2042 CarbonylContact C-O 3.55Å; Y2000-L2042 WeakPolarHBondContact CA-O 3.22Å; Y2000-A2043 HydrophobicContact CD1-CB 4.25Å; Y2000-A2043 HydrophobicContact CE1-CB 4.34Å
2001Q87.3Confident78.3Confident108.2 Ų108.269.3 Ų69.351%0.50639%0.385SS..EExtended strand (participates in β ladder)trans-148.6160.6172.4-69.8-179.725.500114.1L2041 L2042Q2001-L2041 WeakPolarHBondContact O-CA 3.36Å; Q2001-L2041 WeakPolarHBondContact O-CD2 3.26Å; Q2001-L2042 HydrophobicContact CB-CB 4.25Å; Q2001-L2042 HydrophobicContact CB-CD2 4.41Å; Q2001-L2042 PolarHBondContact N-O 3.13Å; Q2001-L2042 PolarHBondContact O-N 2.89Å
2002L87.5Confident78.9Confident29 Ų2970 Ų7015%0.15239%0.389CS..EExtended strand (participates in β ladder)trans-126.5137.9178.8-177.187.4000112.7F2010 I2012 V2019 L2039 L2040 L2041 L2055L2002-F2010 HydrophobicContact CD2-CB 3.74Å; L2002-I2012 HydrophobicContact CB-CB 3.97Å; L2002-I2012 HydrophobicContact CB-CD1 3.86Å; L2002-I2012 HydrophobicContact CB-CG1 4.48Å; L2002-I2012 HydrophobicContact CB-CG2 3.53Å; L2002-I2012 VanDerWaalsContact CB-CG2 3.47Å; L2002-I2012 HydrophobicContact CD1-CB 4.27Å; L2002-I2012 HydrophobicContact CD1-CD1 4.21Å; L2002-I2012 HydrophobicContact CD1-CG1 4.41Å; L2002-I2012 HydrophobicContact CD2-CB 4.07Å; L2002-I2012 HydrophobicContact CD2-CG2 4.32Å; L2002-I2012 HydrophobicContact CG-CD1 4.36Å; L2002-I2012 HydrophobicContact CG-CG2 4.48Å; L2002-V2019 HydrophobicContact CD1-CG2 4.42Å; L2002-V2019 HydrophobicContact CD2-CG1 4.12Å; L2002-L2039 HydrophobicContact CD1-CB 4.05Å; L2002-L2039 HydrophobicContact CD1-CD1 4.22Å; L2002-L2039 HydrophobicContact CD2-CD1 4.16Å; L2002-L2039 HydrophobicContact CG-CD1 4.16Å; L2002-L2040 CarbonylContact C-O 3.56Å; L2002-L2040 WeakPolarHBondContact CA-O 3.37Å; L2002-L2040 WeakPolarHBondContact CD1-O 3.33Å; L2002-L2040 WeakPolarHBondContact CG-O 3.22Å; L2002-L2041 HydrophobicContact CB-CD2 4.17Å; L2002-L2041 HydrophobicContact CD1-CD2 3.73Å; L2002-L2041 HydrophobicContact CD1-CG 4.33Å; L2002-L2041 HydrophobicContact CG-CD2 4.17Å; L2002-L2055 HydrophobicContact CD1-CD2 3.99Å
2003L83.3Confident79.7Confident91 Ų9167.4 Ų67.448%0.47638%0.379SS..EExtended strand (participates in β ladder)trans-135.5153.7-177.9-58.2171.4000112.1L2039 L2040 L2042L2003-L2039 CarbonylContact O-C 3.46Å; L2003-L2040 HydrophobicContact CB-CB 4.37Å; L2003-L2040 HydrophobicContact CD1-CD2 4.43Å; L2003-L2040 PolarHBondContact N-O 3.12Å; L2003-L2040 PolarHBondContact O-N 3.07Å; L2003-L2042 HydrophobicContact CD1-CB 4.17Å; L2003-L2042 HydrophobicContact CD1-CD2 4.1Å
2004G80.3Confident80.6Confident39.6 Ų39.665.5 Ų65.541%0.40837%0.368SS..SBendtrans153.3175.2171.900000115.5H2006 S2007G2004-H2006 VanDerWaalsContact C-N 3.29Å; G2004-H2006 PolarHBondContact O-N 3.22Å; G2004-S2007 WeakPolarHBondContact O-CB 3.41Å; G2004-S2007 PolarHBondContact O-N 2.81Å; G2004-S2007 PolarHBondContact O-OG 3.15Å; G2004-S2007 VanDerWaalsContact O-OG 3.08Å
2005T72.4Confident81Confident120 Ų12064.9 Ų64.974%0.73637%0.368SS*.THydrogen-bonded Turntrans-77-32.9-174.249.10000114.6S2007T2005-S2007 VanDerWaalsContact C-N 3.3Å; T2005-S2007 PolarHBondContact O-N 2.95Å
2006H76.8Confident81.4Confident79 Ų7963.4 Ų63.437%0.36637%0.371SS..THydrogen-bonded Turntrans-105.626.4177.3-61.2100000111.9G2004 D2008 L2009 L2037 L2039G2004-H2006 VanDerWaalsContact C-N 3.29Å; G2004-H2006 PolarHBondContact O-N 3.22Å; H2006-D2008 VanDerWaalsContact C-OD1 3.28Å; H2006-D2008 WeakPolarHBondContact CA-OD1 3.38Å; H2006-D2008 PolarHBondContact O-N 3.1Å; H2006-D2008 VanDerWaalsContact O-N 3.14Å; H2006-L2009 HydrophobicContact CB-CD1 4.17Å; H2006-L2009 HydrophobicContact CB-CG 4.25Å; H2006-L2009 WeakPolarHBondContact O-CB 3.37Å; H2006-L2009 WeakPolarHBondContact O-CG 3.49Å; H2006-L2009 PolarHBondContact O-N 3.23Å; H2006-L2009 VanDerWaalsContact O-N 3.12Å; H2006-L2037 HydrophobicContact CB-CD2 4.2Å; H2006-L2037 VanDerWaalsContact ND1-CD2 3.34Å; H2006-L2037 WeakPolarHBondContact ND1-CD2 3.34Å; H2006-L2039 HydrophobicContact CB-CD2 4.14Å
2007S75.4Confident82.3Confident42.4 Ų42.461.7 Ų61.730%0.29736%0.357SS..THydrogen-bonded Turntrans-68.7-9.4176.660.50000112.6G2004 T2005 L2009 F2010 R2022G2004-S2007 WeakPolarHBondContact O-CB 3.41Å; G2004-S2007 PolarHBondContact O-N 2.81Å; G2004-S2007 PolarHBondContact O-OG 3.15Å; G2004-S2007 VanDerWaalsContact O-OG 3.08Å; T2005-S2007 VanDerWaalsContact C-N 3.3Å; T2005-S2007 PolarHBondContact O-N 2.95Å; S2007-L2009 VanDerWaalsContact C-N 3.28Å; S2007-L2009 PolarHBondContact O-N 2.99Å; S2007-F2010 PolarHBondContact O-N 3.2Å; S2007-R2022 PolarHBondContact O-NH2 2.97Å
2008D80.8Confident82.9Confident90 Ų9061.8 Ų61.848%0.48136%0.358SS..THydrogen-bonded Turntrans-71.1-14167.365-41.8000113H2006 F2010 R2022 I2025H2006-D2008 VanDerWaalsContact C-OD1 3.28Å; H2006-D2008 WeakPolarHBondContact CA-OD1 3.38Å; H2006-D2008 PolarHBondContact O-N 3.1Å; H2006-D2008 VanDerWaalsContact O-N 3.14Å; D2008-F2010 VanDerWaalsContact C-N 3.33Å; D2008-F2010 PolarHBondContact O-N 2.72Å; D2008-R2022 WeakPolarHBondContact O-CB 3.1Å; D2008-R2022 WeakPolarHBondContact O-CD 3.39Å; D2008-R2022 PolarHBondContact O-NE 3.17Å; D2008-I2025 VanDerWaalsContact O-CD1 3.25Å; D2008-I2025 WeakPolarHBondContact O-CD1 3.31Å
2009L83.2Confident83.4Confident34.2 Ų34.260.6 Ų60.618%0.17935%0.35CS..SBendtrans-85.4-18.2172.1-57.8179.8000113.3H2006 S2007 R2022 I2025 F2032 L2037H2006-L2009 HydrophobicContact CB-CD1 4.17Å; H2006-L2009 HydrophobicContact CB-CG 4.25Å; H2006-L2009 WeakPolarHBondContact O-CB 3.37Å; H2006-L2009 WeakPolarHBondContact O-CG 3.49Å; H2006-L2009 PolarHBondContact O-N 3.23Å; H2006-L2009 VanDerWaalsContact O-N 3.12Å; S2007-L2009 VanDerWaalsContact C-N 3.28Å; S2007-L2009 PolarHBondContact O-N 2.99Å; L2009-R2022 VanDerWaalsContact O-CB 3.3Å; L2009-R2022 WeakPolarHBondContact O-CB 3.28Å; L2009-R2022 PolarHBondContact O-N 2.91Å; L2009-I2025 HydrophobicContact CD2-CD1 3.91Å; L2009-I2025 VanDerWaalsContact CD2-CD1 3.47Å; L2009-I2025 HydrophobicContact CD2-CG2 3.62Å; L2009-F2032 HydrophobicContact CD1-CE1 4.29Å; L2009-F2032 HydrophobicContact CD1-CZ 3.87Å; L2009-L2037 HydrophobicContact CD1-CD1 3.82Å
2010F88.4Confident83.6Confident8.4 Ų8.459.3 Ų59.34%0.03734%0.343CS..EExtended strand (participates in β ladder)trans-136.5168.8-170.1-50.5-75.3000114.7V1968 L1978 L2002 S2007 D2008 V2019 T2020 V2021 R2022 I2027 L2037 L2039 I2057V1968-F2010 HydrophobicContact CG1-CZ 4.49Å; L1978-F2010 HydrophobicContact CD1-CD1 3.74Å; L1978-F2010 HydrophobicContact CD1-CE1 3.94Å; L1978-F2010 HydrophobicContact CD1-CG 4.23Å; L1978-F2010 HydrophobicContact CD1-CZ 4.49Å; L1978-F2010 HydrophobicContact CD2-CD1 4.23Å; L1978-F2010 HydrophobicContact CD2-CE1 3.72Å; L1978-F2010 HydrophobicContact CD2-CZ 4.42Å; L1978-F2010 HydrophobicContact CG-CD1 4.02Å; L1978-F2010 HydrophobicContact CG-CE1 4.04Å; L2002-F2010 HydrophobicContact CD2-CB 3.74Å; S2007-F2010 PolarHBondContact O-N 3.2Å; D2008-F2010 VanDerWaalsContact C-N 3.33Å; D2008-F2010 PolarHBondContact O-N 2.72Å; F2010-V2019 HydrophobicContact CB-CG1 3.82Å; F2010-V2019 HydrophobicContact CD1-CG1 4.39Å; F2010-V2019 HydrophobicContact CG-CG1 4.19Å; F2010-T2020 CarbonylContact C-O 3.51Å; F2010-T2020 VanDerWaalsContact CA-O 3.27Å; F2010-T2020 WeakPolarHBondContact CA-O 3.27Å; F2010-V2021 HydrophobicContact CD1-CG2 4.4Å; F2010-V2021 HydrophobicContact CE1-CG2 4.11Å; F2010-R2022 PolarHBondContact O-NE 3.01Å; F2010-R2022 PolarHBondContact O-NH2 3.04Å; F2010-I2027 HydrophobicContact CE1-CD1 3.61Å; F2010-I2027 HydrophobicContact CZ-CD1 3.77Å; F2010-L2037 HydrophobicContact CE2-CD1 3.89Å; F2010-L2037 HydrophobicContact CZ-CD1 4.07Å; F2010-L2039 HydrophobicContact CD2-CD1 3.95Å; F2010-L2039 HydrophobicContact CE2-CD1 4.05Å; F2010-L2039 HydrophobicContact CG-CD1 4.44Å; F2010-I2057 HydrophobicContact CD1-CD1 4.39Å; F2010-I2057 HydrophobicContact CD2-CD1 3.79Å; F2010-I2057 HydrophobicContact CE1-CD1 4.14Å; F2010-I2057 HydrophobicContact CE2-CD1 3.29Å; F2010-I2057 HydrophobicContact CG-CD1 4.27Å; F2010-I2057 HydrophobicContact CZ-CD1 3.5Å; F2010-I2057 VanDerWaalsContact CZ-CD1 3.47Å; F2010-I2057 HydrophobicContact CZ-CG2 4.29Å
2011V87.2Confident83.5Confident67.6 Ų67.658.8 Ų58.841%0.4134%0.342SS..EExtended strand (participates in β ladder)trans-143.8139.2178.3-179.20000110.7V2019 T2020 R2022V2011-V2019 CarbonylContact O-C 3.52Å; V2011-V2019 VanDerWaalsContact O-CA 3.27Å; V2011-V2019 WeakPolarHBondContact O-CA 3.35Å; V2011-V2019 WeakPolarHBondContact O-CG1 3.38Å; V2011-T2020 PolarHBondContact N-O 2.87Å; V2011-T2020 VanDerWaalsContact N-O 3.16Å; V2011-T2020 PolarHBondContact O-N 2.93Å; V2011-T2020 PolarHBondContact O-OG1 3.12Å; V2011-R2022 HydrophobicContact CG2-CB 4.05Å; V2011-R2022 HydrophobicContact CG2-CG 3.97Å
2012I89.3Confident83.3Confident37.8 Ų37.858.7 Ų58.719%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-112.8152.4175.2-160.6166.5000113.3I1985 L2002 N2014 V2018 V2019 L2041I1985-I2012 HydrophobicContact CD1-CD1 4.5Å; L2002-I2012 HydrophobicContact CB-CB 3.97Å; L2002-I2012 HydrophobicContact CB-CD1 3.86Å; L2002-I2012 HydrophobicContact CB-CG1 4.48Å; L2002-I2012 HydrophobicContact CB-CG2 3.53Å; L2002-I2012 VanDerWaalsContact CB-CG2 3.47Å; L2002-I2012 HydrophobicContact CD1-CB 4.27Å; L2002-I2012 HydrophobicContact CD1-CD1 4.21Å; L2002-I2012 HydrophobicContact CD1-CG1 4.41Å; L2002-I2012 HydrophobicContact CD2-CB 4.07Å; L2002-I2012 HydrophobicContact CD2-CG2 4.32Å; L2002-I2012 HydrophobicContact CG-CD1 4.36Å; L2002-I2012 HydrophobicContact CG-CG2 4.48Å; I2012-N2014 PolarHBondContact O-N 3.41Å; I2012-V2018 CarbonylContact C-O 3.5Å; I2012-V2018 VanDerWaalsContact CA-O 3.28Å; I2012-V2018 WeakPolarHBondContact CA-O 3.33Å; I2012-V2019 HydrophobicContact CB-CG2 4.14Å; I2012-V2019 HydrophobicContact CD1-CG2 3.96Å; I2012-V2019 HydrophobicContact CG1-CG2 3.89Å; I2012-L2041 HydrophobicContact CD1-CD2 3.62Å
2013D85.5Confident82.8Confident63 Ų6362.1 Ų62.134%0.33736%0.364SS..  trans-91.8133.9168-177.8-64.5000111.9S2015 T2016 G2017 V2018D2013-S2015 PolarHBondContact O-N 3.03Å; D2013-S2015 VanDerWaalsContact O-N 3.16Å; D2013-S2015 WeakPolarHBondContact OD1-CA 3.31Å; D2013-S2015 PolarHBondContact OD1-N 2.95Å; D2013-S2015 PolarHBondContact OD1-OG 3.2Å; D2013-T2016 VanDerWaalsContact CB-OG1 3.31Å; D2013-T2016 WeakPolarHBondContact CB-OG1 3.37Å; D2013-T2016 PolarHBondContact OD1-N 3.11Å; D2013-T2016 PolarHBondContact OD1-OG1 2.89Å; D2013-T2016 PolarHBondContact OD2-OG1 3.33Å; D2013-G2017 WeakPolarHBondContact O-CA 3.25Å; D2013-G2017 PolarHBondContact O-N 3.09Å; D2013-G2017 VanDerWaalsContact O-N 3.07Å; D2013-V2018 PolarHBondContact N-O 3.23Å; D2013-V2018 VanDerWaalsContact N-O 3.13Å
2014N84.3Confident82.5Confident110.2 Ų110.261.4 Ų61.459%0.58938%0.378SS*.THydrogen-bonded Turntrans-78.2-9.9-172.974-28.2000115.4Y2000 I2012Y2000-N2014 WeakPolarHBondContact CD2-O 3.44Å; Y2000-N2014 PolarHBondContact N-O 2.79Å; Y2000-N2014 WeakPolarHBondContact O-CA 3.16Å; I2012-N2014 PolarHBondContact O-N 3.41Å
2015S80.5Confident82.3Confident81.4 Ų81.462.7 Ų62.757%0.56938%0.375SS*.THydrogen-bonded Turntrans-117.2-24.2-176.565.40000113D2013D2013-S2015 PolarHBondContact O-N 3.03Å; D2013-S2015 VanDerWaalsContact O-N 3.16Å; D2013-S2015 WeakPolarHBondContact OD1-CA 3.31Å; D2013-S2015 PolarHBondContact OD1-N 2.95Å; D2013-S2015 PolarHBondContact OD1-OG 3.2Å
2016T80.9Confident82.5Confident78.6 Ų78.663.4 Ų63.448%0.48237%0.373SS..THydrogen-bonded Turntrans-118.4-15.3-176.264.80000114.5D2013 V2018D2013-T2016 VanDerWaalsContact CB-OG1 3.31Å; D2013-T2016 WeakPolarHBondContact CB-OG1 3.37Å; D2013-T2016 PolarHBondContact OD1-N 3.11Å; D2013-T2016 PolarHBondContact OD1-OG1 2.89Å; D2013-T2016 PolarHBondContact OD2-OG1 3.33Å; T2016-V2018 PolarHBondContact O-N 2.9Å; T2016-V2018 VanDerWaalsContact O-N 3.14Å
2017G82.1Confident82.7Confident6.6 Ų6.660.6 Ų60.67%0.06836%0.36CS..  trans75.85.8176.200000116.4I1985 D2013 V2019I1985-G2017 WeakPolarHBondContact CB-O 3.42Å; I1985-G2017 WeakPolarHBondContact CD1-O 3.35Å; D2013-G2017 WeakPolarHBondContact O-CA 3.25Å; D2013-G2017 PolarHBondContact O-N 3.09Å; D2013-G2017 VanDerWaalsContact O-N 3.07Å; G2017-V2019 PolarHBondContact O-N 3Å
2018V86.4Confident83Confident81.2 Ų81.262.1 Ų62.149%0.49237%0.365SS..  trans-77.4135.1-175.4-178.90000112P1977 I2012 D2013 T2016 T2020P1977-V2018 HydrophobicContact CB-CG1 4.41Å; I2012-V2018 CarbonylContact C-O 3.5Å; I2012-V2018 VanDerWaalsContact CA-O 3.28Å; I2012-V2018 WeakPolarHBondContact CA-O 3.33Å; D2013-V2018 PolarHBondContact N-O 3.23Å; D2013-V2018 VanDerWaalsContact N-O 3.13Å; T2016-V2018 PolarHBondContact O-N 2.9Å; T2016-V2018 VanDerWaalsContact O-N 3.14Å; V2018-T2020 HydrophobicContact CG1-CG2 4.21Å
2019V88Confident83.2Confident5.4 Ų5.460.1 Ų60.13%0.03335%0.351CS..EExtended strand (participates in β ladder)trans-112.8137.6-178.3-171.70000112L1978 I1985 L2002 F2010 V2011 I2012 G2017 L2041 L2055L1978-V2019 HydrophobicContact CB-CB 4.36Å; L1978-V2019 WeakPolarHBondContact CB-O 3.39Å; L1978-V2019 HydrophobicContact CD1-CB 4.01Å; L1978-V2019 HydrophobicContact CD1-CG1 3.67Å; L1978-V2019 HydrophobicContact CG-CB 4.16Å; L1978-V2019 HydrophobicContact CG-CG1 4.23Å; L1978-V2019 PolarHBondContact N-O 3.01Å; I1985-V2019 HydrophobicContact CD1-CB 4.38Å; I1985-V2019 HydrophobicContact CD1-CG2 3.99Å; L2002-V2019 HydrophobicContact CD1-CG2 4.42Å; L2002-V2019 HydrophobicContact CD2-CG1 4.12Å; F2010-V2019 HydrophobicContact CB-CG1 3.82Å; F2010-V2019 HydrophobicContact CD1-CG1 4.39Å; F2010-V2019 HydrophobicContact CG-CG1 4.19Å; V2011-V2019 CarbonylContact O-C 3.52Å; V2011-V2019 VanDerWaalsContact O-CA 3.27Å; V2011-V2019 WeakPolarHBondContact O-CA 3.35Å; V2011-V2019 WeakPolarHBondContact O-CG1 3.38Å; I2012-V2019 HydrophobicContact CB-CG2 4.14Å; I2012-V2019 HydrophobicContact CD1-CG2 3.96Å; I2012-V2019 HydrophobicContact CG1-CG2 3.89Å; G2017-V2019 PolarHBondContact O-N 3Å; V2019-L2041 HydrophobicContact CG2-CD2 4.38Å; V2019-L2055 HydrophobicContact CG1-CD2 4.47Å; V2019-L2055 HydrophobicContact CG2-CD2 4.31Å
2020T88.1Confident83.1Confident46.4 Ų46.463 Ų6329%0.28536%0.364SS..EExtended strand (participates in β ladder)trans-135.5154.7-176.457.50000113.6T1976 P1977 F2010 V2011 V2018 R2022T1976-T2020 CarbonylContact O-C 3.56Å; T1976-T2020 WeakPolarHBondContact O-CA 3.36Å; P1977-T2020 HydrophobicContact CB-CG2 4.27Å; F2010-T2020 CarbonylContact C-O 3.51Å; F2010-T2020 VanDerWaalsContact CA-O 3.27Å; F2010-T2020 WeakPolarHBondContact CA-O 3.27Å; V2011-T2020 PolarHBondContact N-O 2.87Å; V2011-T2020 VanDerWaalsContact N-O 3.16Å; V2011-T2020 PolarHBondContact O-N 2.93Å; V2011-T2020 PolarHBondContact O-OG1 3.12Å; V2018-T2020 HydrophobicContact CG1-CG2 4.21Å; T2020-R2022 PolarHBondContact O-N 3.31Å
2021V85.7Confident82.6Confident15.6 Ų15.665.9 Ų65.910%0.09539%0.389CS..EExtended strand (participates in β ladder)trans-69.3129.3175.5175.80000111.5V1968 G1975 T1976 F2010 I2027V1968-V2021 HydrophobicContact CG2-CG2 3.73Å; G1975-V2021 WeakPolarHBondContact CA-O 3.34Å; G1975-V2021 PolarHBondContact N-O 2.99Å; G1975-V2021 VanDerWaalsContact N-O 3.09Å; T1976-V2021 VanDerWaalsContact O-CB 3.27Å; T1976-V2021 WeakPolarHBondContact O-CB 3.31Å; T1976-V2021 VanDerWaalsContact O-CG2 3.27Å; T1976-V2021 WeakPolarHBondContact O-CG2 3.43Å; T1976-V2021 PolarHBondContact O-N 3.06Å; F2010-V2021 HydrophobicContact CD1-CG2 4.4Å; F2010-V2021 HydrophobicContact CE1-CG2 4.11Å; V2021-I2027 HydrophobicContact CG1-CD1 3.96Å; V2021-I2027 HydrophobicContact CG1-CG1 4.44Å; V2021-I2027 HydrophobicContact CG2-CD1 4.02Å
2022R83.9Confident81.9Confident104.4 Ų104.466.4 Ų66.439%0.39439%0.386SS..PPolyproline II helixtrans-66.2142.6-178.4-171.4176.2-57.4-104.2-0.4112.3S2007 D2008 L2009 F2010 V2011 T2020 G2024 I2025S2007-R2022 PolarHBondContact O-NH2 2.97Å; D2008-R2022 WeakPolarHBondContact O-CB 3.1Å; D2008-R2022 WeakPolarHBondContact O-CD 3.39Å; D2008-R2022 PolarHBondContact O-NE 3.17Å; L2009-R2022 VanDerWaalsContact O-CB 3.3Å; L2009-R2022 WeakPolarHBondContact O-CB 3.28Å; L2009-R2022 PolarHBondContact O-N 2.91Å; F2010-R2022 PolarHBondContact O-NE 3.01Å; F2010-R2022 PolarHBondContact O-NH2 3.04Å; V2011-R2022 HydrophobicContact CG2-CB 4.05Å; V2011-R2022 HydrophobicContact CG2-CG 3.97Å; T2020-R2022 PolarHBondContact O-N 3.31Å; R2022-G2024 PolarHBondContact O-N 2.96Å; R2022-I2025 HydrophobicContact CB-CD1 4.24Å; R2022-I2025 HydrophobicContact CG-CD1 4.36Å
2023S76.6Confident81Confident101 Ų10170.5 Ų70.571%0.70642%0.418SS*.THydrogen-bonded Turntrans-68.8129176.9-88.40000113.5
2024G75.9Confident80.4Confident75.6 Ų75.672.3 Ų72.378%0.77943%0.433SS*.THydrogen-bonded Turntrans108.911.6169.900000116.6R2022R2022-G2024 PolarHBondContact O-N 2.96Å
2025I76.4Confident80.2Confident68 Ų6868.9 Ų68.935%0.34942%0.417SS..  trans-124.8147.7-175.5-57.8177.4000109.4D2008 L2009 R2022D2008-I2025 VanDerWaalsContact O-CD1 3.25Å; D2008-I2025 WeakPolarHBondContact O-CD1 3.31Å; L2009-I2025 HydrophobicContact CD2-CD1 3.91Å; L2009-I2025 VanDerWaalsContact CD2-CD1 3.47Å; L2009-I2025 HydrophobicContact CD2-CG2 3.62Å; R2022-I2025 HydrophobicContact CB-CD1 4.24Å; R2022-I2025 HydrophobicContact CG-CD1 4.36Å
2026I76.5Confident80.2Confident133.6 Ų133.670 Ų7069%0.68541%0.412SS*.  trans-118.7141.2171.7-59.9174.3000107.2N1971N1971-I2026 WeakPolarHBondContact OD1-CG2 3.37Å
2027I81.8Confident80.4Confident20.6 Ų20.667.4 Ų67.411%0.10639%0.394CS..  trans-109.2126.4179.8-55.7174.7000107.3V1968 E1970 N1971 F2010 V2021 F2032 I2059V1968-I2027 HydrophobicContact CG1-CD1 4.13Å; V1968-I2027 HydrophobicContact CG2-CD1 4.33Å; E1970-I2027 WeakPolarHBondContact CA-O 3.43Å; E1970-I2027 HydrophobicContact CB-CG2 4.41Å; N1971-I2027 WeakPolarHBondContact CA-O 3.27Å; N1971-I2027 PolarHBondContact N-O 3.1Å; F2010-I2027 HydrophobicContact CE1-CD1 3.61Å; F2010-I2027 HydrophobicContact CZ-CD1 3.77Å; V2021-I2027 HydrophobicContact CG1-CD1 3.96Å; V2021-I2027 HydrophobicContact CG1-CG1 4.44Å; V2021-I2027 HydrophobicContact CG2-CD1 4.02Å; I2027-F2032 HydrophobicContact CG2-CD2 4.45Å; I2027-F2032 HydrophobicContact CG2-CE2 4.08Å; I2027-I2059 HydrophobicContact CG2-CB 4.47Å; I2027-I2059 HydrophobicContact CG2-CD1 3.81Å; I2027-I2059 HydrophobicContact CG2-CG1 4.12Å; I2027-I2059 HydrophobicContact CG2-CG2 3.75Å
2028D82.6Confident80.5Confident75.2 Ų75.271.6 Ų71.640%0.40241%0.412SS..  trans-123125.8-177.5157.611.1000106.9E1970 E2030 A2031 F2032E1970-D2028 WeakPolarHBondContact OE2-CA 3.49Å; D2028-E2030 WeakPolarHBondContact OD1-CB 3.35Å; D2028-E2030 PolarHBondContact OD1-N 3.17Å; D2028-A2031 HydrophobicContact CB-CB 4.32Å; D2028-A2031 WeakPolarHBondContact OD1-CB 3.45Å; D2028-A2031 PolarHBondContact OD1-N 2.95Å; D2028-A2031 VanDerWaalsContact OD1-N 3.08Å; D2028-F2032 WeakPolarHBondContact O-CD2 3.23Å; D2028-F2032 VanDerWaalsContact O-CE2 3.26Å; D2028-F2032 WeakPolarHBondContact O-CE2 3.33Å
2029R83.9Confident80.6Confident46.4 Ų46.468 Ų6818%0.17539%0.39CS..SBendtrans-75.5-42.5-169.5-165.7-154.170.7118.2-1112.8E1970 A2031 F2032 P2035 I2059 L2060 D2061 E2096 S2098E1970-R2029 HydrophobicContact CB-CB 4.16Å; E1970-R2029 VanDerWaalsContact CD-CB 3.47Å; E1970-R2029 HydrophobicContact CG-CB 4.33Å; E1970-R2029 VanDerWaalsContact OE1-CB 3.25Å; E1970-R2029 WeakPolarHBondContact OE1-CB 3.38Å; E1970-R2029 WeakPolarHBondContact OE2-CB 3.37Å; E1970-R2029 PolarHBondContact OE2-N 2.96Å; R2029-A2031 PolarHBondContact O-N 2.86Å; R2029-A2031 VanDerWaalsContact O-N 3.08Å; R2029-F2032 PolarHBondContact O-N 3.03Å; R2029-F2032 VanDerWaalsContact O-O 3.14Å; R2029-P2035 HydrophobicContact CG-CB 3.61Å; R2029-P2035 VanDerWaalsContact CG-CB 3.49Å; R2029-I2059 HydrophobicContact CB-CB 4.38Å; R2029-I2059 HydrophobicContact CB-CG2 3.73Å; R2029-I2059 HydrophobicContact CG-CB 3.93Å; R2029-I2059 HydrophobicContact CG-CG2 3.72Å; R2029-I2059 WeakPolarHBondContact CG-O 3.46Å; R2029-L2060 VanDerWaalsContact CB-O 3.26Å; R2029-L2060 WeakPolarHBondContact CB-O 3.39Å; R2029-L2060 VanDerWaalsContact CD-O 3.28Å; R2029-L2060 WeakPolarHBondContact CD-O 3.32Å; R2029-L2060 WeakPolarHBondContact CG-O 3.29Å; R2029-D2061 VanDerWaalsContact CD-CB 3.47Å; R2029-D2061 IonicContact CZ-OD1 3.03Å; R2029-D2061 IonicContact CZ-OD2 3.3Å; R2029-D2061 IonicContact NE-OD1 3.32Å; R2029-D2061 PolarHBondContact NE-OD1 3.01Å; R2029-D2061 IonicContact NE-OD2 3.18Å; R2029-D2061 IonicContact NH1-OD1 2.81Å; R2029-D2061 PolarHBondContact NH1-OD1 3.28Å; R2029-D2061 IonicContact NH1-OD2 3.29Å; R2029-D2061 PolarHBondContact NH1-OD2 3.1Å; R2029-D2061 IonicContact NH2-OD1 3.27Å; R2029-D2061 PolarHBondContact NH2-OD1 2.99Å; R2029-D2061 IonicContact NH2-OD2 2.92Å; R2029-E2096 PolarHBondContact NH2-O 3.02Å; R2029-S2098 PolarHBondContact NH1-OG 2.98Å; R2029-S2098 PolarHBondContact NH2-OG 3.05Å
2030E81.3Confident80.6Confident96.4 Ų96.470.6 Ų70.645%0.4540%0.404SS..THydrogen-bonded Turntrans-61-20.9-179.9-76.652.4-11200112.1D2028 F2032 N2065 E2096D2028-E2030 WeakPolarHBondContact OD1-CB 3.35Å; D2028-E2030 PolarHBondContact OD1-N 3.17Å; E2030-F2032 PolarHBondContact O-N 2.89Å; E2030-N2065 VanDerWaalsContact CG-ND2 3.34Å; E2030-N2065 WeakPolarHBondContact CG-ND2 3.34Å; E2030-E2096 HydrophobicContact CG-CB 4Å
2031A77Confident80.6Confident69 Ų6968.7 Ų68.757%0.5739%0.392SS*.THydrogen-bonded Turntrans-74.6-17.3173.600000115D2028 R2029D2028-A2031 HydrophobicContact CB-CB 4.32Å; D2028-A2031 WeakPolarHBondContact OD1-CB 3.45Å; D2028-A2031 PolarHBondContact OD1-N 2.95Å; D2028-A2031 VanDerWaalsContact OD1-N 3.08Å; R2029-A2031 PolarHBondContact O-N 2.86Å; R2029-A2031 VanDerWaalsContact O-N 3.08Å
2032F72.9Confident80.7Confident77.8 Ų77.870.4 Ų70.434%0.34140%0.4SS..  trans-111.7121.9-177.4-64.7-80000112.7L2009 I2027 D2028 R2029 E2030 P2034 P2035 L2037 I2059L2009-F2032 HydrophobicContact CD1-CE1 4.29Å; L2009-F2032 HydrophobicContact CD1-CZ 3.87Å; I2027-F2032 HydrophobicContact CG2-CD2 4.45Å; I2027-F2032 HydrophobicContact CG2-CE2 4.08Å; D2028-F2032 WeakPolarHBondContact O-CD2 3.23Å; D2028-F2032 VanDerWaalsContact O-CE2 3.26Å; D2028-F2032 WeakPolarHBondContact O-CE2 3.33Å; R2029-F2032 PolarHBondContact O-N 3.03Å; R2029-F2032 VanDerWaalsContact O-O 3.14Å; E2030-F2032 PolarHBondContact O-N 2.89Å; F2032-P2034 VanDerWaalsContact C-C 3.47Å; F2032-P2034 CarbonylContact C-O 3.54Å; F2032-P2034 VanDerWaalsContact C-O 3.24Å; F2032-P2034 CarbonylContact O-C 3.58Å; F2032-P2034 VanDerWaalsContact O-C 3.24Å; F2032-P2035 HydrophobicContact CB-CB 4.12Å; F2032-P2035 VanDerWaalsContact O-CA 3.24Å; F2032-P2035 WeakPolarHBondContact O-CA 3.39Å; F2032-P2035 VanDerWaalsContact O-N 3.09Å; F2032-L2037 HydrophobicContact CD1-CD2 3.7Å; F2032-L2037 VanDerWaalsContact CD1-CD2 3.49Å; F2032-L2037 HydrophobicContact CE1-CD2 3.69Å; F2032-L2037 HydrophobicContact CG-CD2 4.1Å; F2032-L2037 HydrophobicContact CZ-CD2 4.38Å; F2032-I2059 HydrophobicContact CB-CD1 4.33Å; F2032-I2059 HydrophobicContact CD2-CD1 3.69Å; F2032-I2059 VanDerWaalsContact CD2-CD1 3.47Å; F2032-I2059 HydrophobicContact CE2-CD1 4Å; F2032-I2059 HydrophobicContact CG-CD1 4.11Å
2033S71Confident80.7Confident123.6 Ų123.665.6 Ų65.686%0.86438%0.383SS*.SBendtrans-136.899.6177.3175.70000111.2
2034P72.8Confident81.1Confident100.4 Ų100.464.6 Ų64.665%0.65237%0.367SS*.SBendcis-81.1163-334.3-36.1000113.9F2032 F2036F2032-P2034 VanDerWaalsContact C-C 3.47Å; F2032-P2034 CarbonylContact C-O 3.54Å; F2032-P2034 VanDerWaalsContact C-O 3.24Å; F2032-P2034 CarbonylContact O-C 3.58Å; F2032-P2034 VanDerWaalsContact O-C 3.24Å; P2034-F2036 HydrophobicContact CB-CB 4.21Å; P2034-F2036 HydrophobicContact CB-CD1 3.97Å; P2034-F2036 HydrophobicContact CB-CE1 4.5Å; P2034-F2036 HydrophobicContact CG-CB 4.27Å; P2034-F2036 HydrophobicContact CG-CD1 3.33Å; P2034-F2036 HydrophobicContact CG-CE1 3.41Å; P2034-F2036 VanDerWaalsContact CG-CE1 3.41Å; P2034-F2036 PolarHBondContact O-N 3.08Å
2035P79.5Confident81.4Confident39.2 Ų39.261.8 Ų61.826%0.25533%0.334SS..  trans-85.670.5-178.533.6-35.8000114.3R2029 F2032 I2059R2029-P2035 HydrophobicContact CG-CB 3.61Å; R2029-P2035 VanDerWaalsContact CG-CB 3.49Å; F2032-P2035 HydrophobicContact CB-CB 4.12Å; F2032-P2035 VanDerWaalsContact O-CA 3.24Å; F2032-P2035 WeakPolarHBondContact O-CA 3.39Å; F2032-P2035 VanDerWaalsContact O-N 3.09Å; P2035-I2059 HydrophobicContact CB-CB 4.01Å; P2035-I2059 HydrophobicContact CB-CD1 4.01Å; P2035-I2059 HydrophobicContact CB-CG1 4.12Å; P2035-I2059 PolarHBondContact O-N 2.8Å; P2035-I2059 VanDerWaalsContact O-N 3.13Å
2036F81.2Confident81.4Confident105.4 Ų105.463.2 Ų63.246%0.46234%0.341SS..EExtended strand (participates in β ladder)trans-147.9142-174.1168.3-97.7000113.9P2034 E2038 F2056 I2057P2034-F2036 HydrophobicContact CB-CB 4.21Å; P2034-F2036 HydrophobicContact CB-CD1 3.97Å; P2034-F2036 HydrophobicContact CB-CE1 4.5Å; P2034-F2036 HydrophobicContact CG-CB 4.27Å; P2034-F2036 HydrophobicContact CG-CD1 3.33Å; P2034-F2036 HydrophobicContact CG-CE1 3.41Å; P2034-F2036 VanDerWaalsContact CG-CE1 3.41Å; P2034-F2036 PolarHBondContact O-N 3.08Å; F2036-E2038 HydrophobicContact CE1-CB 4.32Å; F2036-E2038 HydrophobicContact CE2-CB 4.33Å; F2036-F2056 HydrophobicContact CD1-CD1 4.2Å; F2036-F2056 HydrophobicContact CD2-CB 4.29Å; F2036-F2056 HydrophobicContact CE1-CB 4.19Å; F2036-F2056 AromaticContact CE1-CD1 3.67Å; F2036-F2056 HydrophobicContact CE1-CD1 3.67Å; F2036-F2056 AromaticContact CE1-CE1 3.37Å; F2036-F2056 HydrophobicContact CE1-CE1 3.37Å; F2036-F2056 AromaticContact CE1-CG 3.74Å; F2036-F2056 HydrophobicContact CE1-CG 3.74Å; F2036-F2056 HydrophobicContact CE1-CZ 4.28Å; F2036-F2056 HydrophobicContact CE2-CB 3.8Å; F2036-F2056 AromaticContact CE2-CD1 3.88Å; F2036-F2056 HydrophobicContact CE2-CD1 3.88Å; F2036-F2056 HydrophobicContact CE2-CD2 4.31Å; F2036-F2056 AromaticContact CE2-CG 3.64Å; F2036-F2056 HydrophobicContact CE2-CG 3.64Å; F2036-F2056 HydrophobicContact CZ-CB 3.62Å; F2036-F2056 AromaticContact CZ-CD1 3.31Å; F2036-F2056 HydrophobicContact CZ-CD1 3.55Å; F2036-F2056 VanDerWaalsContact CZ-CD1 3.49Å; F2036-F2056 AromaticContact CZ-CD2 3.67Å; F2036-F2056 HydrophobicContact CZ-CD2 3.67Å; F2036-F2056 AromaticContact CZ-CE1 3.42Å; F2036-F2056 HydrophobicContact CZ-CE1 4.06Å; F2036-F2056 VanDerWaalsContact CZ-CE1 3.42Å; F2036-F2056 HydrophobicContact CZ-CE2 4.12Å; F2036-F2056 AromaticContact CZ-CG 3.62Å; F2036-F2056 HydrophobicContact CZ-CG 3.62Å; F2036-F2056 HydrophobicContact CZ-CZ 4.02Å; F2036-I2057 CarbonylContact C-O 3.51Å; F2036-I2057 VanDerWaalsContact CA-O 3.31Å; F2036-I2057 WeakPolarHBondContact CA-O 3.39Å; F2036-I2057 WeakPolarHBondContact CD2-O 3.38Å
2037L84.2Confident81.2Confident23 Ų2358.8 Ų58.812%0.1233%0.329CS..EExtended strand (participates in β ladder)trans-132.1150.8-178.5-52.6169.6000113.5H2006 L2009 F2010 F2032 L2039 F2056 I2057 I2059H2006-L2037 HydrophobicContact CB-CD2 4.2Å; H2006-L2037 VanDerWaalsContact ND1-CD2 3.34Å; H2006-L2037 WeakPolarHBondContact ND1-CD2 3.34Å; L2009-L2037 HydrophobicContact CD1-CD1 3.82Å; F2010-L2037 HydrophobicContact CE2-CD1 3.89Å; F2010-L2037 HydrophobicContact CZ-CD1 4.07Å; F2032-L2037 HydrophobicContact CD1-CD2 3.7Å; F2032-L2037 VanDerWaalsContact CD1-CD2 3.49Å; F2032-L2037 HydrophobicContact CE1-CD2 3.69Å; F2032-L2037 HydrophobicContact CG-CD2 4.1Å; F2032-L2037 HydrophobicContact CZ-CD2 4.38Å; L2037-L2039 PolarHBondContact O-N 3.06Å; L2037-F2056 CarbonylContact O-C 3.49Å; L2037-F2056 WeakPolarHBondContact O-CA 3.29Å; L2037-I2057 HydrophobicContact CB-CB 4.19Å; L2037-I2057 HydrophobicContact CB-CD1 4.3Å; L2037-I2057 HydrophobicContact CB-CG1 4.28Å; L2037-I2057 HydrophobicContact CD1-CB 4.46Å; L2037-I2057 HydrophobicContact CD1-CD1 4.26Å; L2037-I2057 PolarHBondContact N-O 3.06Å; L2037-I2057 PolarHBondContact O-N 2.93Å; L2037-I2059 HydrophobicContact CD1-CD1 4.03Å; L2037-I2059 HydrophobicContact CD1-CG1 4.39Å; L2037-I2059 HydrophobicContact CG-CD1 4.2Å
2038E85.6Confident80.8Confident95.4 Ų95.465.3 Ų65.345%0.44636%0.359SS..EExtended strand (participates in β ladder)trans-130.8134-179.7-179177.3-174.200114F2036 H2054 L2055 F2056F2036-E2038 HydrophobicContact CE1-CB 4.32Å; F2036-E2038 HydrophobicContact CE2-CB 4.33Å; E2038-H2054 IonicContact OE1-CE1 3.11Å; E2038-H2054 PolarHBondContact OE1-CE1 2.98Å; E2038-H2054 IonicContact OE1-CG 3.17Å; E2038-H2054 IonicContact OE1-ND1 3.46Å; E2038-H2054 PolarHBondContact OE1-ND1 3.01Å; E2038-L2055 CarbonylContact C-O 3.53Å; E2038-L2055 WeakPolarHBondContact CA-O 3.42Å; E2038-F2056 HydrophobicContact CB-CD1 3.99Å; E2038-F2056 HydrophobicContact CB-CE1 4.09Å; E2038-F2056 VanDerWaalsContact CD-CE1 3.45Å; E2038-F2056 HydrophobicContact CG-CD1 3.88Å; E2038-F2056 HydrophobicContact CG-CE1 3.58Å; E2038-F2056 HydrophobicContact CG-CZ 4.36Å
2039L87.4Confident80.6Confident5.4 Ų5.464.5 Ų64.53%0.02835%0.354CS..EExtended strand (participates in β ladder)trans-137.7172.4178.9-59.6176.4000113.6L2002 L2003 H2006 F2010 L2037 H2054 L2055 I2057L2002-L2039 HydrophobicContact CD1-CB 4.05Å; L2002-L2039 HydrophobicContact CD1-CD1 4.22Å; L2002-L2039 HydrophobicContact CD2-CD1 4.16Å; L2002-L2039 HydrophobicContact CG-CD1 4.16Å; L2003-L2039 CarbonylContact O-C 3.46Å; H2006-L2039 HydrophobicContact CB-CD2 4.14Å; F2010-L2039 HydrophobicContact CD2-CD1 3.95Å; F2010-L2039 HydrophobicContact CE2-CD1 4.05Å; F2010-L2039 HydrophobicContact CG-CD1 4.44Å; L2037-L2039 PolarHBondContact O-N 3.06Å; L2039-H2054 CarbonylContact O-C 3.52Å; L2039-H2054 WeakPolarHBondContact O-CA 3.22Å; L2039-H2054 PolarHBondContact O-ND1 2.75Å; L2039-L2055 HydrophobicContact CB-CB 4.2Å; L2039-L2055 HydrophobicContact CB-CD2 4.24Å; L2039-L2055 HydrophobicContact CB-CG 4.36Å; L2039-L2055 HydrophobicContact CD1-CD2 4.02Å; L2039-L2055 HydrophobicContact CD1-CG 4.44Å; L2039-L2055 HydrophobicContact CG-CD2 4.49Å; L2039-L2055 PolarHBondContact N-O 3.04Å; L2039-L2055 PolarHBondContact O-N 3.07Å; L2039-I2057 HydrophobicContact CD1-CD1 3.96Å; L2039-I2057 HydrophobicContact CG-CD1 4.39Å
2040L87.6Confident80.5Confident60 Ų6067.2 Ų67.231%0.31437%0.372SS..EExtended strand (participates in β ladder)trans-133.9141.1-175-169.677.4000114L2002 L2003 T2052 A2053 H2054L2002-L2040 CarbonylContact C-O 3.56Å; L2002-L2040 WeakPolarHBondContact CA-O 3.37Å; L2002-L2040 WeakPolarHBondContact CD1-O 3.33Å; L2002-L2040 WeakPolarHBondContact CG-O 3.22Å; L2003-L2040 HydrophobicContact CB-CB 4.37Å; L2003-L2040 HydrophobicContact CD1-CD2 4.43Å; L2003-L2040 PolarHBondContact N-O 3.12Å; L2003-L2040 PolarHBondContact O-N 3.07Å; L2040-T2052 HydrophobicContact CD1-CG2 4.47Å; L2040-T2052 HydrophobicContact CD2-CG2 3.88Å; L2040-T2052 HydrophobicContact CG-CG2 4.2Å; L2040-A2053 CarbonylContact C-O 3.59Å; L2040-A2053 VanDerWaalsContact CD1-O 3.29Å; L2040-A2053 WeakPolarHBondContact CD1-O 3.36Å; L2040-H2054 VanDerWaalsContact CD1-CD2 3.45Å; L2040-H2054 WeakPolarHBondContact CD1-CD2 3.44Å
2041L88.2Confident80.6Confident6.2 Ų6.263.3 Ų63.33%0.03236%0.358CS..EExtended strand (participates in β ladder)trans-116.3149.8-179.8-62.9164.5000113.9F1959 Y1964 I1985 Q2001 L2002 I2012 V2019 T2052 A2053 L2055F1959-L2041 HydrophobicContact CE1-CB 3.91Å; F1959-L2041 HydrophobicContact CE1-CD1 4.26Å; F1959-L2041 HydrophobicContact CE2-CB 3.92Å; F1959-L2041 WeakPolarHBondContact CE2-O 3.46Å; F1959-L2041 HydrophobicContact CZ-CB 4.12Å; F1959-L2041 VanDerWaalsContact CZ-CB 3.4Å; F1959-L2041 HydrophobicContact CZ-CG 4.5Å; Y1964-L2041 HydrophobicContact CD2-CD1 3.64Å; Y1964-L2041 VanDerWaalsContact CD2-CD1 3.42Å; Y1964-L2041 HydrophobicContact CE2-CD1 3.87Å; Y1964-L2041 HydrophobicContact CG-CD1 4.21Å; I1985-L2041 HydrophobicContact CD1-CD1 3.97Å; I1985-L2041 HydrophobicContact CD1-CD2 4.12Å; I1985-L2041 HydrophobicContact CD1-CG 4.48Å; I1985-L2041 HydrophobicContact CG1-CD1 3.92Å; I1985-L2041 HydrophobicContact CG2-CD1 3.95Å; I1985-L2041 HydrophobicContact CG2-CD2 4.29Å; Q2001-L2041 WeakPolarHBondContact O-CA 3.36Å; Q2001-L2041 WeakPolarHBondContact O-CD2 3.26Å; L2002-L2041 HydrophobicContact CB-CD2 4.17Å; L2002-L2041 HydrophobicContact CD1-CD2 3.73Å; L2002-L2041 HydrophobicContact CD1-CG 4.33Å; L2002-L2041 HydrophobicContact CG-CD2 4.17Å; I2012-L2041 HydrophobicContact CD1-CD2 3.62Å; V2019-L2041 HydrophobicContact CG2-CD2 4.38Å; L2041-T2052 CarbonylContact O-C 3.52Å; L2041-T2052 WeakPolarHBondContact O-CA 3.31Å; L2041-A2053 HydrophobicContact CB-CB 4.23Å; L2041-A2053 WeakPolarHBondContact CB-O 3.26Å; L2041-A2053 HydrophobicContact CD1-CB 4.13Å; L2041-A2053 HydrophobicContact CG-CB 4.44Å; L2041-A2053 PolarHBondContact N-O 2.98Å; L2041-A2053 PolarHBondContact O-N 2.97Å; L2041-A2053 VanDerWaalsContact O-N 3.12Å; L2041-L2055 HydrophobicContact CD1-CB 3.83Å; L2041-L2055 HydrophobicContact CD1-CD1 4.26Å; L2041-L2055 HydrophobicContact CD1-CD2 4.39Å; L2041-L2055 HydrophobicContact CD1-CG 4.32Å; L2041-L2055 HydrophobicContact CD2-CD2 4.35Å; L2041-L2055 HydrophobicContact CG-CB 3.9Å; L2041-L2055 HydrophobicContact CG-CD2 4.29Å
2042L88.2Confident81Confident51 Ų5164.4 Ų64.427%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-136.6139.5-178.6177.169.7000113Y2000 Q2001 L2003 N2050 G2051 T2052Y2000-L2042 CarbonylContact C-O 3.55Å; Y2000-L2042 WeakPolarHBondContact CA-O 3.22Å; Q2001-L2042 HydrophobicContact CB-CB 4.25Å; Q2001-L2042 HydrophobicContact CB-CD2 4.41Å; Q2001-L2042 PolarHBondContact N-O 3.13Å; Q2001-L2042 PolarHBondContact O-N 2.89Å; L2003-L2042 HydrophobicContact CD1-CB 4.17Å; L2003-L2042 HydrophobicContact CD1-CD2 4.1Å; L2042-N2050 HydrophobicContact CD1-CB 3.8Å; L2042-G2051 CarbonylContact C-O 3.48Å; L2042-T2052 HydrophobicContact CD1-CG2 3.71Å
2043A85Confident81.7Confident4.6 Ų4.660.9 Ų60.94%0.03834%0.343CS..EExtended strand (participates in β ladder)trans-134.6144.7172.300000114.1P1957 F1959 A1987 V1998 T1999 Y2000 N2050 G2051P1957-A2043 HydrophobicContact CB-CB 3.68Å; P1957-A2043 HydrophobicContact CG-CB 4.49Å; F1959-A2043 HydrophobicContact CD1-CB 4.37Å; F1959-A2043 HydrophobicContact CD2-CB 4.14Å; F1959-A2043 HydrophobicContact CE1-CB 4.1Å; F1959-A2043 HydrophobicContact CE2-CB 3.47Å; F1959-A2043 VanDerWaalsContact CE2-CB 3.48Å; F1959-A2043 HydrophobicContact CG-CB 4.34Å; F1959-A2043 HydrophobicContact CZ-CB 3.45Å; F1959-A2043 VanDerWaalsContact CZ-CB 3.47Å; A1987-A2043 HydrophobicContact CB-CB 3.99Å; A1987-A2043 VanDerWaalsContact CB-CB 3.42Å; V1998-A2043 HydrophobicContact CG1-CB 3.74Å; V1998-A2043 VanDerWaalsContact CG1-CB 3.44Å; T1999-A2043 CarbonylContact O-C 3.59Å; T1999-A2043 VanDerWaalsContact O-CA 3.24Å; T1999-A2043 WeakPolarHBondContact O-CA 3.27Å; T1999-A2043 WeakPolarHBondContact O-CB 3.36Å; Y2000-A2043 HydrophobicContact CD1-CB 4.25Å; Y2000-A2043 HydrophobicContact CE1-CB 4.34Å; A2043-N2050 CarbonylContact O-C 3.53Å; A2043-N2050 VanDerWaalsContact O-CA 3.25Å; A2043-N2050 WeakPolarHBondContact O-CA 3.4Å; A2043-N2050 VanDerWaalsContact O-CB 3.27Å; A2043-N2050 WeakPolarHBondContact O-CB 3.36Å; A2043-G2051 PolarHBondContact N-O 2.89Å; A2043-G2051 PolarHBondContact O-N 2.92Å
2044E84.9Confident82.4Confident79.8 Ų79.858.5 Ų58.537%0.37332%0.318SS..EExtended strand (participates in β ladder)trans-146.50-175.1-171.5172.1-154.400113.2V1998 T1999 Q2048 L2049 N2050V1998-E2044 WeakPolarHBondContact CA-O 3.36Å; V1998-E2044 WeakPolarHBondContact CG1-O 3.43Å; T1999-E2044 PolarHBondContact N-O 2.77Å; T1999-E2044 PolarHBondContact O-N 2.8Å; T1999-E2044 PolarHBondContact OG1-O 3.24Å; E2044-Q2048 PolarHBondContact OE1-NE2 3.02Å; E2044-Q2048 PolarHBondContact OE1-OE1 3.42Å; E2044-L2049 CarbonylContact C-O 3.59Å; E2044-L2049 WeakPolarHBondContact CA-O 3.3Å; E2044-N2050 HydrophobicContact CB-CB 4.25Å; E2044-N2050 HydrophobicContact CG-CB 4.16Å; E2044-N2050 PolarHBondContact OE1-ND2 2.85Å
2045D81.2Confident83.2Confident17.2 Ų17.253.8 Ų53.89%0.09229%0.288CS..  0-169.4081.9-14.9000115.5N1953 P1957 V1997 G2047 Q2048 L2049N1953-D2045 PolarHBondContact ND2-OD2 2.92Å; N1953-D2045 PolarHBondContact OD1-OD2 3.22Å; N1953-D2045 VanDerWaalsContact OD1-OD2 3.06Å; P1957-D2045 HydrophobicContact CB-CB 4.32Å; P1957-D2045 HydrophobicContact CG-CB 3.74Å; V1997-D2045 VanDerWaalsContact O-CA 3.27Å; V1997-D2045 WeakPolarHBondContact O-CA 3.32Å; V1997-D2045 WeakPolarHBondContact O-CB 3.2Å; D2045-G2047 VanDerWaalsContact C-N 3.3Å; D2045-G2047 VanDerWaalsContact CG-N 3.29Å; D2045-G2047 VanDerWaalsContact OD1-C 3.24Å; D2045-G2047 VanDerWaalsContact OD1-CA 3.29Å; D2045-G2047 WeakPolarHBondContact OD1-CA 3.27Å; D2045-G2047 PolarHBondContact OD1-N 2.94Å; D2045-G2047 VanDerWaalsContact OD1-N 3.08Å; D2045-G2047 VanDerWaalsContact OD2-CA 3.28Å; D2045-G2047 WeakPolarHBondContact OD2-CA 3.29Å; D2045-G2047 PolarHBondContact OD2-N 3.14Å; D2045-Q2048 VanDerWaalsContact OD1-CA 3.31Å; D2045-Q2048 WeakPolarHBondContact OD1-CA 3.27Å; D2045-Q2048 PolarHBondContact OD1-N 3.25Å; D2045-L2049 PolarHBondContact N-O 3.06Å; D2045-L2049 VanDerWaalsContact N-O 3.11Å; D2045-L2049 WeakPolarHBondContact OD1-CA 3.3Å; D2045-L2049 WeakPolarHBondContact OD1-CB 3.35Å; D2045-L2049 WeakPolarHBondContact OD1-CG 3.44Å; D2045-L2049 PolarHBondContact OD1-N 3.01Å; D2045-L2049 VanDerWaalsContact OD1-O 3.06Å; D2045-L2049 VanDerWaalsContact OD2-CB 3.22Å; D2045-L2049 WeakPolarHBondContact OD2-CB 3.35Å; D2045-L2049 PolarHBondContact OD2-N 2.89Å
2046I77.6Confident83.6Confident96.8 Ų96.854.6 Ų54.650%0.49629%0.287SS..SBendtrans-85-28.9172.3-75.9178.4000113.5V1994 A1996 V1997 Q2048V1994-I2046 HydrophobicContact CG1-CB 4.17Å; V1994-I2046 HydrophobicContact CG1-CD1 3.59Å; V1994-I2046 HydrophobicContact CG1-CG1 4.44Å; V1994-I2046 HydrophobicContact CG1-CG2 3.93Å; V1994-I2046 WeakPolarHBondContact O-CD1 3.07Å; A1996-I2046 VanDerWaalsContact N-CG2 3.3Å; V1997-I2046 HydrophobicContact CB-CD1 4.04Å; V1997-I2046 HydrophobicContact CB-CG1 4.38Å; V1997-I2046 HydrophobicContact CG1-CD1 4.2Å; V1997-I2046 HydrophobicContact CG2-CB 3.87Å; V1997-I2046 HydrophobicContact CG2-CD1 4.2Å; V1997-I2046 HydrophobicContact CG2-CG1 3.58Å; I2046-Q2048 VanDerWaalsContact C-N 3.28Å; I2046-Q2048 PolarHBondContact O-N 3.15Å
2047G71.9Confident83.9Confident40.8 Ų40.849.6 Ų49.642%0.42127%0.265SS..SBendtrans-72.1-9.6177.200000115D2045 L2049D2045-G2047 VanDerWaalsContact C-N 3.3Å; D2045-G2047 VanDerWaalsContact CG-N 3.29Å; D2045-G2047 VanDerWaalsContact OD1-C 3.24Å; D2045-G2047 VanDerWaalsContact OD1-CA 3.29Å; D2045-G2047 WeakPolarHBondContact OD1-CA 3.27Å; D2045-G2047 PolarHBondContact OD1-N 2.94Å; D2045-G2047 VanDerWaalsContact OD1-N 3.08Å; D2045-G2047 VanDerWaalsContact OD2-CA 3.28Å; D2045-G2047 WeakPolarHBondContact OD2-CA 3.29Å; D2045-G2047 PolarHBondContact OD2-N 3.14Å; G2047-L2049 VanDerWaalsContact C-N 3.29Å
2048Q73.6Confident83.9Confident158.4 Ų158.451.2 Ų51.274%0.7428%0.276SS*.SBendtrans77.734.8-174.4-49.8-147.6-44.400115.2E2044 D2045 I2046E2044-Q2048 PolarHBondContact OE1-NE2 3.02Å; E2044-Q2048 PolarHBondContact OE1-OE1 3.42Å; D2045-Q2048 VanDerWaalsContact OD1-CA 3.31Å; D2045-Q2048 WeakPolarHBondContact OD1-CA 3.27Å; D2045-Q2048 PolarHBondContact OD1-N 3.25Å; I2046-Q2048 VanDerWaalsContact C-N 3.28Å; I2046-Q2048 PolarHBondContact O-N 3.15Å
2049L77.8Confident83.8Confident57.4 Ų57.447.3 Ų47.330%0.30126%0.258SS..  trans-105.5143.5174.3-52.2178000110.1N1953 N1955 H1956 P1957 E2044 D2045 G2047N1953-L2049 WeakPolarHBondContact ND2-CD1 3.26Å; N1953-L2049 VanDerWaalsContact ND2-CG 3.25Å; N1953-L2049 WeakPolarHBondContact ND2-CG 3.45Å; N1953-L2049 WeakPolarHBondContact O-CD1 3.09Å; N1955-L2049 WeakPolarHBondContact O-CD1 3.28Å; H1956-L2049 HydrophobicContact CB-CB 3.92Å; H1956-L2049 HydrophobicContact CB-CD1 4.48Å; P1957-L2049 VanDerWaalsContact CD-CB 3.48Å; P1957-L2049 VanDerWaalsContact CD-O 3.26Å; P1957-L2049 WeakPolarHBondContact CD-O 3.29Å; P1957-L2049 HydrophobicContact CG-CB 4.28Å; P1957-L2049 HydrophobicContact CG-CD1 4.02Å; P1957-L2049 WeakPolarHBondContact CG-O 3.48Å; E2044-L2049 CarbonylContact C-O 3.59Å; E2044-L2049 WeakPolarHBondContact CA-O 3.3Å; D2045-L2049 PolarHBondContact N-O 3.06Å; D2045-L2049 VanDerWaalsContact N-O 3.11Å; D2045-L2049 WeakPolarHBondContact OD1-CA 3.3Å; D2045-L2049 WeakPolarHBondContact OD1-CB 3.35Å; D2045-L2049 WeakPolarHBondContact OD1-CG 3.44Å; D2045-L2049 PolarHBondContact OD1-N 3.01Å; D2045-L2049 VanDerWaalsContact OD1-O 3.06Å; D2045-L2049 VanDerWaalsContact OD2-CB 3.22Å; D2045-L2049 WeakPolarHBondContact OD2-CB 3.35Å; D2045-L2049 PolarHBondContact OD2-N 2.89Å; G2047-L2049 VanDerWaalsContact C-N 3.29Å
2050N82Confident83.6Confident102.4 Ų102.450.2 Ų50.255%0.54827%0.273SS..EExtended strand (participates in β ladder)trans-143.2158.3-169.758.216.5000115.8L2042 A2043 E2044L2042-N2050 HydrophobicContact CD1-CB 3.8Å; A2043-N2050 CarbonylContact O-C 3.53Å; A2043-N2050 VanDerWaalsContact O-CA 3.25Å; A2043-N2050 WeakPolarHBondContact O-CA 3.4Å; A2043-N2050 VanDerWaalsContact O-CB 3.27Å; A2043-N2050 WeakPolarHBondContact O-CB 3.36Å; E2044-N2050 HydrophobicContact CB-CB 4.25Å; E2044-N2050 HydrophobicContact CG-CB 4.16Å; E2044-N2050 PolarHBondContact OE1-ND2 2.85Å
2051G82.1Confident83.4Confident15 Ų1549.6 Ų49.616%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-139.8162.1175.400000114.8P1957 F1959 L2042 A2043P1957-G2051 VanDerWaalsContact O-CA 3.26Å; P1957-G2051 WeakPolarHBondContact O-CA 3.37Å; F1959-G2051 WeakPolarHBondContact CE2-O 3.45Å; L2042-G2051 CarbonylContact C-O 3.48Å; A2043-G2051 PolarHBondContact N-O 2.89Å; A2043-G2051 PolarHBondContact O-N 2.92Å
2052T86.8Confident83Confident92 Ų9254.4 Ų54.456%0.56430%0.296SS*.EExtended strand (participates in β ladder)trans-142.50-176.6550000114.5L2040 L2041 L2042L2040-T2052 HydrophobicContact CD1-CG2 4.47Å; L2040-T2052 HydrophobicContact CD2-CG2 3.88Å; L2040-T2052 HydrophobicContact CG-CG2 4.2Å; L2041-T2052 CarbonylContact O-C 3.52Å; L2041-T2052 WeakPolarHBondContact O-CA 3.31Å; L2042-T2052 HydrophobicContact CD1-CG2 3.71Å
2053A86.2Confident82.7Confident4.6 Ų4.653.7 Ų53.74%0.03829%0.293CS..EExtended strand (participates in β ladder)00000000114.4F1959 G1962 Y1964 L2040 L2041 L2055F1959-A2053 HydrophobicContact CB-CB 3.58Å; F1959-A2053 HydrophobicContact CD1-CB 4.23Å; F1959-A2053 HydrophobicContact CD2-CB 3.93Å; F1959-A2053 HydrophobicContact CE2-CB 3.81Å; F1959-A2053 HydrophobicContact CG-CB 4.03Å; G1962-A2053 WeakPolarHBondContact O-CA 3.31Å; G1962-A2053 WeakPolarHBondContact O-CB 3.28Å; Y1964-A2053 HydrophobicContact CD2-CB 4.17Å; Y1964-A2053 HydrophobicContact CE2-CB 3.94Å; L2040-A2053 CarbonylContact C-O 3.59Å; L2040-A2053 VanDerWaalsContact CD1-O 3.29Å; L2040-A2053 WeakPolarHBondContact CD1-O 3.36Å; L2041-A2053 HydrophobicContact CB-CB 4.23Å; L2041-A2053 WeakPolarHBondContact CB-O 3.26Å; L2041-A2053 HydrophobicContact CD1-CB 4.13Å; L2041-A2053 HydrophobicContact CG-CB 4.44Å; L2041-A2053 PolarHBondContact N-O 2.98Å; L2041-A2053 PolarHBondContact O-N 2.97Å; L2041-A2053 VanDerWaalsContact O-N 3.12Å; A2053-L2055 PolarHBondContact O-N 3.2Å
2054H87.3Confident82.6Confident74 Ų7458.5 Ų58.534%0.34332%0.318SS..EExtended strand (participates in β ladder)0154.40-83.3-98.8000114.3G1962 T1963 Y1964 E2038 L2039 L2040 F2056G1962-H2054 PolarHBondContact O-N 3.01Å; G1962-H2054 VanDerWaalsContact O-N 3.14Å; T1963-H2054 CarbonylContact C-O 3.44Å; T1963-H2054 WeakPolarHBondContact CA-O 3.34Å; T1963-H2054 HydrophobicContact CG2-CB 4.12Å; Y1964-H2054 WeakPolarHBondContact CD2-O 3.32Å; Y1964-H2054 PolarHBondContact N-O 3.07Å; E2038-H2054 IonicContact OE1-CE1 3.11Å; E2038-H2054 PolarHBondContact OE1-CE1 2.98Å; E2038-H2054 IonicContact OE1-CG 3.17Å; E2038-H2054 IonicContact OE1-ND1 3.46Å; E2038-H2054 PolarHBondContact OE1-ND1 3.01Å; L2039-H2054 CarbonylContact O-C 3.52Å; L2039-H2054 WeakPolarHBondContact O-CA 3.22Å; L2039-H2054 PolarHBondContact O-ND1 2.75Å; L2040-H2054 VanDerWaalsContact CD1-CD2 3.45Å; L2040-H2054 WeakPolarHBondContact CD1-CD2 3.44Å; H2054-F2056 HydrophobicContact CB-CD1 4.2Å; H2054-F2056 HydrophobicContact CB-CD2 4.43Å; H2054-F2056 HydrophobicContact CB-CE1 3.81Å; H2054-F2056 HydrophobicContact CB-CE2 4.19Å; H2054-F2056 HydrophobicContact CB-CZ 3.97Å
2055L88.6Confident82.2Confident2 Ų257.5 Ų57.51%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-132.90175.3174.964.7000113.5Y1964 A1966 L1978 I1985 L2002 V2019 E2038 L2039 L2041 A2053 I2057Y1964-L2055 CarbonylContact O-C 3.53Å; Y1964-L2055 VanDerWaalsContact O-CA 3.27Å; Y1964-L2055 WeakPolarHBondContact O-CA 3.35Å; A1966-L2055 HydrophobicContact CB-CD1 3.75Å; L1978-L2055 HydrophobicContact CD1-CD2 4.2Å; I1985-L2055 HydrophobicContact CD1-CD1 4.1Å; I1985-L2055 HydrophobicContact CD1-CD2 4.33Å; L2002-L2055 HydrophobicContact CD1-CD2 3.99Å; V2019-L2055 HydrophobicContact CG1-CD2 4.47Å; V2019-L2055 HydrophobicContact CG2-CD2 4.31Å; E2038-L2055 CarbonylContact C-O 3.53Å; E2038-L2055 WeakPolarHBondContact CA-O 3.42Å; L2039-L2055 HydrophobicContact CB-CB 4.2Å; L2039-L2055 HydrophobicContact CB-CD2 4.24Å; L2039-L2055 HydrophobicContact CB-CG 4.36Å; L2039-L2055 HydrophobicContact CD1-CD2 4.02Å; L2039-L2055 HydrophobicContact CD1-CG 4.44Å; L2039-L2055 HydrophobicContact CG-CD2 4.49Å; L2039-L2055 PolarHBondContact N-O 3.04Å; L2039-L2055 PolarHBondContact O-N 3.07Å; L2041-L2055 HydrophobicContact CD1-CB 3.83Å; L2041-L2055 HydrophobicContact CD1-CD1 4.26Å; L2041-L2055 HydrophobicContact CD1-CD2 4.39Å; L2041-L2055 HydrophobicContact CD1-CG 4.32Å; L2041-L2055 HydrophobicContact CD2-CD2 4.35Å; L2041-L2055 HydrophobicContact CG-CB 3.9Å; L2041-L2055 HydrophobicContact CG-CD2 4.29Å; A2053-L2055 PolarHBondContact O-N 3.2Å; L2055-I2057 HydrophobicContact CD1-CG1 4.33Å; L2055-I2057 HydrophobicContact CD2-CD1 4.02Å; L2055-I2057 HydrophobicContact CD2-CG1 4.12Å; L2055-I2057 HydrophobicContact CG-CD1 4.28Å; L2055-I2057 HydrophobicContact CG-CG1 3.85Å
2056F87.3Confident82.2Confident54.8 Ų54.865.2 Ų65.224%0.2434%0.343CS..EExtended strand (participates in β ladder)000-63.1-69.6000114T1963 Y1964 Q1965 A1966 F2036 L2037 E2038 H2054T1963-F2056 HydrophobicContact CG2-CD2 4.05Å; T1963-F2056 HydrophobicContact CG2-CE2 3.97Å; T1963-F2056 VanDerWaalsContact CG2-CE2 3.49Å; T1963-F2056 HydrophobicContact CG2-CZ 4.35Å; Y1964-F2056 WeakPolarHBondContact O-CB 3.32Å; Y1964-F2056 PolarHBondContact O-N 2.9Å; Q1965-F2056 CarbonylContact C-O 3.51Å; Q1965-F2056 WeakPolarHBondContact CA-O 3.41Å; Q1965-F2056 HydrophobicContact CG-CB 4.42Å; Q1965-F2056 HydrophobicContact CG-CD2 4.48Å; A1966-F2056 PolarHBondContact N-O 3.01Å; F2036-F2056 HydrophobicContact CD1-CD1 4.2Å; F2036-F2056 HydrophobicContact CD2-CB 4.29Å; F2036-F2056 HydrophobicContact CE1-CB 4.19Å; F2036-F2056 AromaticContact CE1-CD1 3.67Å; F2036-F2056 HydrophobicContact CE1-CD1 3.67Å; F2036-F2056 AromaticContact CE1-CE1 3.37Å; F2036-F2056 HydrophobicContact CE1-CE1 3.37Å; F2036-F2056 AromaticContact CE1-CG 3.74Å; F2036-F2056 HydrophobicContact CE1-CG 3.74Å; F2036-F2056 HydrophobicContact CE1-CZ 4.28Å; F2036-F2056 HydrophobicContact CE2-CB 3.8Å; F2036-F2056 AromaticContact CE2-CD1 3.88Å; F2036-F2056 HydrophobicContact CE2-CD1 3.88Å; F2036-F2056 HydrophobicContact CE2-CD2 4.31Å; F2036-F2056 AromaticContact CE2-CG 3.64Å; F2036-F2056 HydrophobicContact CE2-CG 3.64Å; F2036-F2056 HydrophobicContact CZ-CB 3.62Å; F2036-F2056 AromaticContact CZ-CD1 3.31Å; F2036-F2056 HydrophobicContact CZ-CD1 3.55Å; F2036-F2056 VanDerWaalsContact CZ-CD1 3.49Å; F2036-F2056 AromaticContact CZ-CD2 3.67Å; F2036-F2056 HydrophobicContact CZ-CD2 3.67Å; F2036-F2056 AromaticContact CZ-CE1 3.42Å; F2036-F2056 HydrophobicContact CZ-CE1 4.06Å; F2036-F2056 VanDerWaalsContact CZ-CE1 3.42Å; F2036-F2056 HydrophobicContact CZ-CE2 4.12Å; F2036-F2056 AromaticContact CZ-CG 3.62Å; F2036-F2056 HydrophobicContact CZ-CG 3.62Å; F2036-F2056 HydrophobicContact CZ-CZ 4.02Å; L2037-F2056 CarbonylContact O-C 3.49Å; L2037-F2056 WeakPolarHBondContact O-CA 3.29Å; E2038-F2056 HydrophobicContact CB-CD1 3.99Å; E2038-F2056 HydrophobicContact CB-CE1 4.09Å; E2038-F2056 VanDerWaalsContact CD-CE1 3.45Å; E2038-F2056 HydrophobicContact CG-CD1 3.88Å; E2038-F2056 HydrophobicContact CG-CE1 3.58Å; E2038-F2056 HydrophobicContact CG-CZ 4.36Å; H2054-F2056 HydrophobicContact CB-CD1 4.2Å; H2054-F2056 HydrophobicContact CB-CD2 4.43Å; H2054-F2056 HydrophobicContact CB-CE1 3.81Å; H2054-F2056 HydrophobicContact CB-CE2 4.19Å; H2054-F2056 HydrophobicContact CB-CZ 3.97Å
2057I87.6Confident82.7Confident1.6 Ų1.661 Ų611%0.00832%0.322CS..EExtended strand (participates in β ladder)000-40.9172.6000114.1A1966 V1968 L1978 F2010 F2036 L2037 L2039 L2055 I2059A1966-I2057 HydrophobicContact CB-CG1 4.43Å; A1966-I2057 CarbonylContact O-C 3.36Å; A1966-I2057 VanDerWaalsContact O-CA 3.25Å; A1966-I2057 WeakPolarHBondContact O-CA 3.3Å; V1968-I2057 HydrophobicContact CB-CG2 4.19Å; V1968-I2057 HydrophobicContact CG1-CG2 3.65Å; L1978-I2057 HydrophobicContact CD1-CD1 3.68Å; L1978-I2057 VanDerWaalsContact CD1-CD1 3.46Å; L1978-I2057 HydrophobicContact CD1-CG1 4.3Å; L1978-I2057 HydrophobicContact CD1-CG2 4.46Å; L1978-I2057 HydrophobicContact CD2-CD1 4.39Å; L1978-I2057 HydrophobicContact CD2-CG2 3.88Å; F2010-I2057 HydrophobicContact CD1-CD1 4.39Å; F2010-I2057 HydrophobicContact CD2-CD1 3.79Å; F2010-I2057 HydrophobicContact CE1-CD1 4.14Å; F2010-I2057 HydrophobicContact CE2-CD1 3.29Å; F2010-I2057 HydrophobicContact CG-CD1 4.27Å; F2010-I2057 HydrophobicContact CZ-CD1 3.5Å; F2010-I2057 VanDerWaalsContact CZ-CD1 3.47Å; F2010-I2057 HydrophobicContact CZ-CG2 4.29Å; F2036-I2057 CarbonylContact C-O 3.51Å; F2036-I2057 VanDerWaalsContact CA-O 3.31Å; F2036-I2057 WeakPolarHBondContact CA-O 3.39Å; F2036-I2057 WeakPolarHBondContact CD2-O 3.38Å; L2037-I2057 HydrophobicContact CB-CB 4.19Å; L2037-I2057 HydrophobicContact CB-CD1 4.3Å; L2037-I2057 HydrophobicContact CB-CG1 4.28Å; L2037-I2057 HydrophobicContact CD1-CB 4.46Å; L2037-I2057 HydrophobicContact CD1-CD1 4.26Å; L2037-I2057 PolarHBondContact N-O 3.06Å; L2037-I2057 PolarHBondContact O-N 2.93Å; L2039-I2057 HydrophobicContact CD1-CD1 3.96Å; L2039-I2057 HydrophobicContact CG-CD1 4.39Å; L2055-I2057 HydrophobicContact CD1-CG1 4.33Å; L2055-I2057 HydrophobicContact CD2-CD1 4.02Å; L2055-I2057 HydrophobicContact CD2-CG1 4.12Å; L2055-I2057 HydrophobicContact CG-CD1 4.28Å; L2055-I2057 HydrophobicContact CG-CG1 3.85Å; I2057-I2059 PolarHBondContact O-N 3.05Å
2058T84.6Confident83.2Confident55.4 Ų55.463.5 Ų63.534%0.3433%0.329SS..EExtended strand (participates in β ladder)000-500000114A1966 E1967 V1968 L2060A1966-T2058 PolarHBondContact O-N 2.92Å; E1967-T2058 WeakPolarHBondContact CA-O 3.32Å; V1968-T2058 VanDerWaalsContact CG1-O 3.27Å; V1968-T2058 WeakPolarHBondContact CG1-O 3.45Å; V1968-T2058 PolarHBondContact N-O 2.89Å; V1968-T2058 VanDerWaalsContact N-O 3.14Å; T2058-L2060 HydrophobicContact CG2-CD2 4.47Å; T2058-L2060 PolarHBondContact O-N 2.95Å
2059I84.7Confident83.8Confident13.8 Ų13.857.2 Ų57.27%0.07130%0.299CS..EExtended strand (participates in β ladder)0142.70-45.9166.8000112.1V1968 E1970 I2027 R2029 F2032 P2035 L2037 I2057V1968-I2059 HydrophobicContact CG1-CB 4.34Å; V1968-I2059 HydrophobicContact CG1-CG1 4.26Å; V1968-I2059 HydrophobicContact CG1-CG2 4.32Å; V1968-I2059 CarbonylContact O-C 3.53Å; V1968-I2059 VanDerWaalsContact O-CA 3.3Å; V1968-I2059 WeakPolarHBondContact O-CA 3.36Å; E1970-I2059 HydrophobicContact CB-CG2 4.13Å; I2027-I2059 HydrophobicContact CG2-CB 4.47Å; I2027-I2059 HydrophobicContact CG2-CD1 3.81Å; I2027-I2059 HydrophobicContact CG2-CG1 4.12Å; I2027-I2059 HydrophobicContact CG2-CG2 3.75Å; R2029-I2059 HydrophobicContact CB-CB 4.38Å; R2029-I2059 HydrophobicContact CB-CG2 3.73Å; R2029-I2059 HydrophobicContact CG-CB 3.93Å; R2029-I2059 HydrophobicContact CG-CG2 3.72Å; R2029-I2059 WeakPolarHBondContact CG-O 3.46Å; F2032-I2059 HydrophobicContact CB-CD1 4.33Å; F2032-I2059 HydrophobicContact CD2-CD1 3.69Å; F2032-I2059 VanDerWaalsContact CD2-CD1 3.47Å; F2032-I2059 HydrophobicContact CE2-CD1 4Å; F2032-I2059 HydrophobicContact CG-CD1 4.11Å; P2035-I2059 HydrophobicContact CB-CB 4.01Å; P2035-I2059 HydrophobicContact CB-CD1 4.01Å; P2035-I2059 HydrophobicContact CB-CG1 4.12Å; P2035-I2059 PolarHBondContact O-N 2.8Å; P2035-I2059 VanDerWaalsContact O-N 3.13Å; L2037-I2059 HydrophobicContact CD1-CD1 4.03Å; L2037-I2059 HydrophobicContact CD1-CG1 4.39Å; L2037-I2059 HydrophobicContact CG-CD1 4.2Å; I2057-I2059 PolarHBondContact O-N 3.05Å
2060L82.4Confident83.6Confident66 Ų6658.7 Ų58.735%0.34632%0.315SS..  trans-113.9165.9-172-55.5175.2000114.7E1967 V1968 M1969 E1970 R2029 T2058E1967-L2060 HydrophobicContact CB-CD1 3.85Å; E1967-L2060 HydrophobicContact CB-CD2 4.17Å; E1967-L2060 HydrophobicContact CB-CG 3.85Å; E1967-L2060 HydrophobicContact CG-CD1 4.44Å; E1967-L2060 HydrophobicContact CG-CD2 3.94Å; E1967-L2060 HydrophobicContact CG-CG 4.19Å; V1968-L2060 PolarHBondContact O-N 2.84Å; M1969-L2060 HydrophobicContact CB-CD1 4.22Å; M1969-L2060 HydrophobicContact CE-CB 4.09Å; M1969-L2060 HydrophobicContact CE-CD1 3.98Å; M1969-L2060 HydrophobicContact SD-CB 3.66Å; M1969-L2060 WeakPolarHBondContact SD-CB 3.49Å; M1969-L2060 HydrophobicContact SD-CD1 3.77Å; M1969-L2060 VanDerWaalsContact SD-CD1 3.55Å; M1969-L2060 HydrophobicContact SD-CG 4.29Å; E1970-L2060 WeakPolarHBondContact CB-O 3.14Å; E1970-L2060 VanDerWaalsContact CG-O 3.24Å; E1970-L2060 WeakPolarHBondContact CG-O 3.33Å; E1970-L2060 PolarHBondContact N-O 3.42Å; R2029-L2060 VanDerWaalsContact CB-O 3.26Å; R2029-L2060 WeakPolarHBondContact CB-O 3.39Å; R2029-L2060 VanDerWaalsContact CD-O 3.28Å; R2029-L2060 WeakPolarHBondContact CD-O 3.32Å; R2029-L2060 WeakPolarHBondContact CG-O 3.29Å; T2058-L2060 HydrophobicContact CG2-CD2 4.47Å; T2058-L2060 PolarHBondContact O-N 2.95Å
2061D82.6Confident83.6Confident47.4 Ų47.457.2 Ų57.225%0.25331%0.31SS..  trans-112.8152.8-163.5-166.741.1000117.1E1970 R2029 S2098 N2101E1970-D2061 VanDerWaalsContact OE1-CA 3.31Å; E1970-D2061 WeakPolarHBondContact OE1-CA 3.3Å; R2029-D2061 VanDerWaalsContact CD-CB 3.47Å; R2029-D2061 IonicContact CZ-OD1 3.03Å; R2029-D2061 IonicContact CZ-OD2 3.3Å; R2029-D2061 IonicContact NE-OD1 3.32Å; R2029-D2061 PolarHBondContact NE-OD1 3.01Å; R2029-D2061 IonicContact NE-OD2 3.18Å; R2029-D2061 IonicContact NH1-OD1 2.81Å; R2029-D2061 PolarHBondContact NH1-OD1 3.28Å; R2029-D2061 IonicContact NH1-OD2 3.29Å; R2029-D2061 PolarHBondContact NH1-OD2 3.1Å; R2029-D2061 IonicContact NH2-OD1 3.27Å; R2029-D2061 PolarHBondContact NH2-OD1 2.99Å; R2029-D2061 IonicContact NH2-OD2 2.92Å; D2061-S2098 VanDerWaalsContact CG-N 3.31Å; D2061-S2098 WeakPolarHBondContact OD1-CB 3.46Å; D2061-S2098 PolarHBondContact OD1-N 2.86Å; D2061-S2098 WeakPolarHBondContact OD2-CB 3.34Å; D2061-S2098 PolarHBondContact OD2-N 3.09Å; D2061-S2098 PolarHBondContact OD2-OG 3.12Å; D2061-N2101 VanDerWaalsContact OD2-CB 3.28Å; D2061-N2101 WeakPolarHBondContact OD2-CB 3.29Å; D2061-N2101 PolarHBondContact OD2-ND2 3.13Å
2062D80.6Confident83.6Confident107.8 Ų107.860.3 Ų60.358%0.57633%0.328SS*.  trans-131.6167.3173.4-156.11.2000113.9E1970 D2064 N2101E1970-D2062 HydrophobicContact CG-CB 3.86Å; E1970-D2062 PolarHBondContact OE1-N 2.9Å; D2062-D2064 VanDerWaalsContact C-N 3.27Å; D2062-D2064 PolarHBondContact O-N 2.95Å; D2062-N2101 PolarHBondContact O-ND2 3.24Å
2063N82.5Confident83.5Confident36.6 Ų36.660.3 Ų60.320%0.19633%0.328CS..  trans-111.9115.5-167.7-176.765.7000116.8D2097 N2101 D2148 G2150 T2151 V2152 L2154N2063-D2097 VanDerWaalsContact CA-OD2 3.29Å; N2063-D2097 WeakPolarHBondContact CA-OD2 3.02Å; N2063-D2097 PolarHBondContact OD1-OD2 3.13Å; N2063-N2101 WeakPolarHBondContact CA-ND2 3.4Å; N2063-N2101 HydrophobicContact CB-CB 4.03Å; N2063-N2101 VanDerWaalsContact CB-CG 3.48Å; N2063-N2101 WeakPolarHBondContact CB-ND2 3.38Å; N2063-N2101 WeakPolarHBondContact CB-OD1 3.27Å; N2063-N2101 VanDerWaalsContact CG-CG 3.44Å; N2063-N2101 VanDerWaalsContact CG-OD1 3.25Å; N2063-N2101 PolarHBondContact N-ND2 3.11Å; N2063-N2101 WeakPolarHBondContact OD1-CA 3.23Å; N2063-N2101 VanDerWaalsContact OD1-CB 3.25Å; N2063-N2101 WeakPolarHBondContact OD1-CB 3.24Å; N2063-N2101 VanDerWaalsContact OD1-CG 3.26Å; N2063-N2101 PolarHBondContact OD1-ND2 2.81Å; N2063-N2101 PolarHBondContact OD1-O 3.06Å; N2063-N2101 PolarHBondContact OD1-OD1 2.97Å; N2063-N2101 VanDerWaalsContact OD1-OD1 3.11Å; N2063-D2148 PolarHBondContact ND2-OD1 2.87Å; N2063-D2148 VanDerWaalsContact ND2-OD1 3.15Å; N2063-D2148 PolarHBondContact ND2-OD2 2.77Å; N2063-G2150 WeakPolarHBondContact OD1-CA 3.24Å; N2063-T2151 PolarHBondContact ND2-N 2.89Å; N2063-T2151 PolarHBondContact ND2-OG1 2.81Å; N2063-T2151 VanDerWaalsContact ND2-OG1 3.12Å; N2063-V2152 PolarHBondContact ND2-O 3.36Å; N2063-L2154 WeakPolarHBondContact O-CD1 3.34Å
2064D81.3Confident83.5Confident105 Ų10562.2 Ų62.256%0.56133%0.334SS*.  trans-140.52.2179.788.4-32.2000121.3D2062 D2097D2062-D2064 VanDerWaalsContact C-N 3.27Å; D2062-D2064 PolarHBondContact O-N 2.95Å; D2064-D2097 VanDerWaalsContact C-OD2 3.26Å; D2064-D2097 WeakPolarHBondContact CA-OD2 3.35Å; D2064-D2097 PolarHBondContact N-OD1 2.8Å; D2064-D2097 PolarHBondContact N-OD2 2.95Å
2065N77.6Confident83.4Confident57.6 Ų57.663.9 Ų63.931%0.30835%0.35SS..  trans-106.4178.2-176.4-72.3-80.2000117.9E2030 D2095 E2096 D2097 L2154E2030-N2065 VanDerWaalsContact CG-ND2 3.34Å; E2030-N2065 WeakPolarHBondContact CG-ND2 3.34Å; N2065-D2095 VanDerWaalsContact CB-OD1 3.31Å; N2065-D2095 WeakPolarHBondContact CB-OD1 3.23Å; N2065-E2096 HydrophobicContact CB-CB 4.32Å; N2065-D2097 VanDerWaalsContact CB-OD1 3.26Å; N2065-D2097 WeakPolarHBondContact CB-OD1 3.36Å; N2065-D2097 WeakPolarHBondContact CB-OD2 3.31Å; N2065-D2097 PolarHBondContact N-OD1 3.17Å; N2065-D2097 VanDerWaalsContact N-OD1 3.15Å; N2065-D2097 PolarHBondContact N-OD2 3.15Å; N2065-D2097 VanDerWaalsContact N-OD2 3.15Å; N2065-D2097 VanDerWaalsContact ND2-CG 3.32Å; N2065-D2097 PolarHBondContact ND2-OD1 3.02Å; N2065-D2097 PolarHBondContact ND2-OD2 3.45Å; N2065-L2154 VanDerWaalsContact O-CD1 3.25Å; N2065-L2154 WeakPolarHBondContact O-CD1 3.36Å
2066W81.9Confident83.4Confident180.2 Ų180.265.7 Ų65.768%0.68336%0.361SS*.  trans-134.8138.1-167.5-77.648.6000116.5T2068 D2095 L2154W2066-T2068 PolarHBondContact O-N 3.34Å; W2066-T2068 PolarHBondContact O-OG1 3.14Å; W2066-D2095 VanDerWaalsContact CA-OD2 3.29Å; W2066-D2095 WeakPolarHBondContact CA-OD2 3.28Å; W2066-D2095 VanDerWaalsContact N-CG 3.29Å; W2066-D2095 PolarHBondContact N-OD1 3.15Å; W2066-D2095 PolarHBondContact N-OD2 3Å; W2066-D2095 VanDerWaalsContact N-OD2 3.11Å; W2066-L2154 HydrophobicContact CB-CD1 4.37Å; W2066-L2154 HydrophobicContact CD2-CB 4.21Å; W2066-L2154 HydrophobicContact CD2-CD1 3.61Å; W2066-L2154 VanDerWaalsContact CD2-CD1 3.5Å; W2066-L2154 HydrophobicContact CD2-CD2 4.41Å; W2066-L2154 HydrophobicContact CD2-CG 4.36Å; W2066-L2154 HydrophobicContact CE3-CB 4.02Å; W2066-L2154 HydrophobicContact CE3-CD1 4.18Å; W2066-L2154 HydrophobicContact CG-CB 4.48Å; W2066-L2154 HydrophobicContact CG-CD1 3.72Å; W2066-L2154 HydrophobicContact CH2-CB 4.3Å; W2066-L2154 HydrophobicContact CH2-CD1 4.4Å; W2066-L2154 HydrophobicContact CH2-CD2 4.28Å; W2066-L2154 HydrophobicContact CZ2-CB 4.47Å; W2066-L2154 HydrophobicContact CZ2-CD1 3.9Å; W2066-L2154 HydrophobicContact CZ2-CD2 4.14Å; W2066-L2154 HydrophobicContact CZ2-CG 4.33Å; W2066-L2154 HydrophobicContact CZ3-CB 4Å; W2066-L2154 HydrophobicContact CZ3-CD1 4.26Å; W2066-L2154 HydrophobicContact CZ3-CD2 4.49Å; W2066-L2154 VanDerWaalsContact NE1-CD1 3.32Å
2067P87.5Confident83.4Confident9.2 Ų9.268.9 Ų68.96%0.0638%0.376CS..  trans-79.7147.6177.2-14.327.7000117.5T2094 D2095 L2104 A2146 D2148 L2154 G2156P2067-T2094 WeakPolarHBondContact CA-O 3.24Å; P2067-D2095 WeakPolarHBondContact CD-OD2 3.45Å; P2067-D2095 VanDerWaalsContact CG-OD2 3.23Å; P2067-D2095 WeakPolarHBondContact CG-OD2 3.3Å; P2067-L2104 HydrophobicContact CB-CD1 4.31Å; P2067-L2104 HydrophobicContact CB-CD2 3.65Å; P2067-L2104 HydrophobicContact CG-CD2 3.61Å; P2067-L2104 VanDerWaalsContact CG-CD2 3.47Å; P2067-A2146 HydrophobicContact CB-CB 4.25Å; P2067-D2148 WeakPolarHBondContact CD-OD2 3.33Å; P2067-D2148 HydrophobicContact CG-CB 4.07Å; P2067-D2148 VanDerWaalsContact CG-OD2 3.32Å; P2067-D2148 WeakPolarHBondContact CG-OD2 3.37Å; P2067-L2154 HydrophobicContact CG-CB 4.49Å; P2067-G2156 WeakPolarHBondContact O-CA 3.21Å; P2067-G2156 PolarHBondContact O-N 3.32Å
2068T81.7Confident83.4Confident91.4 Ų91.469.5 Ų69.556%0.56138%0.38SS*.EExtended strand (participates in β ladder)trans-146.9140.7-179.9-67.70000115.8W2066 A2093 T2094W2066-T2068 PolarHBondContact O-N 3.34Å; W2066-T2068 PolarHBondContact O-OG1 3.14Å; T2068-A2093 CarbonylContact O-C 3.57Å; T2068-A2093 VanDerWaalsContact O-CA 3.27Å; T2068-A2093 WeakPolarHBondContact O-CA 3.35Å; T2068-A2093 WeakPolarHBondContact O-CB 3.29Å; T2068-T2094 PolarHBondContact N-O 2.85Å; T2068-T2094 PolarHBondContact O-N 3.05Å; T2068-T2094 PolarHBondContact O-OG1 3.25Å
2069F85.7Confident83.3Confident26.8 Ų26.871.2 Ų71.212%0.11839%0.386CS..EExtended strand (participates in β ladder)trans-100.7144.8177-82.4-79.9000114.9P2071 Y2074 V2091 T2092 A2093 Y2106 V2144 A2146 G2156 T2157 A2158F2069-P2071 CarbonylContact C-O 3.52Å; F2069-P2071 WeakPolarHBondContact CB-O 3.44Å; F2069-P2071 CarbonylContact O-C 3.48Å; F2069-Y2074 HydrophobicContact CD1-CE2 4.42Å; F2069-V2091 HydrophobicContact CD1-CB 4.37Å; F2069-V2091 HydrophobicContact CE1-CB 4Å; F2069-V2091 HydrophobicContact CE1-CG2 3.85Å; F2069-V2091 HydrophobicContact CZ-CG2 4.43Å; F2069-T2092 WeakPolarHBondContact CD1-O 3.23Å; F2069-A2093 HydrophobicContact CD1-CB 4.04Å; F2069-A2093 HydrophobicContact CD2-CB 4.12Å; F2069-A2093 HydrophobicContact CE1-CB 3.73Å; F2069-A2093 HydrophobicContact CE2-CB 3.93Å; F2069-A2093 HydrophobicContact CG-CB 3.99Å; F2069-A2093 HydrophobicContact CZ-CB 3.84Å; F2069-Y2106 HydrophobicContact CD1-CE1 4.36Å; F2069-Y2106 AromaticContact CE1-CD1 3.73Å; F2069-Y2106 HydrophobicContact CE1-CD1 3.93Å; F2069-Y2106 AromaticContact CE1-CE1 3.74Å; F2069-Y2106 HydrophobicContact CE1-CE1 3.74Å; F2069-Y2106 AromaticContact CZ-CD1 3.83Å; F2069-Y2106 HydrophobicContact CZ-CD1 3.83Å; F2069-Y2106 AromaticContact CZ-CE1 3.85Å; F2069-Y2106 HydrophobicContact CZ-CE1 3.98Å; F2069-V2144 HydrophobicContact CE1-CG1 4.41Å; F2069-V2144 HydrophobicContact CZ-CG1 4.11Å; F2069-A2146 HydrophobicContact CD2-CB 4.25Å; F2069-A2146 HydrophobicContact CE1-CB 4.41Å; F2069-A2146 HydrophobicContact CE2-CB 3.49Å; F2069-A2146 VanDerWaalsContact CE2-CB 3.44Å; F2069-A2146 HydrophobicContact CZ-CB 3.55Å; F2069-A2146 VanDerWaalsContact CZ-CB 3.44Å; F2069-G2156 WeakPolarHBondContact CE2-O 3.37Å; F2069-T2157 VanDerWaalsContact CD2-N 3.34Å; F2069-A2158 HydrophobicContact CB-CB 3.74Å; F2069-A2158 HydrophobicContact CD1-CB 3.73Å; F2069-A2158 HydrophobicContact CD2-CB 3.65Å; F2069-A2158 HydrophobicContact CE1-CB 4.18Å; F2069-A2158 HydrophobicContact CE2-CB 4.1Å; F2069-A2158 HydrophobicContact CG-CB 3.44Å; F2069-A2158 VanDerWaalsContact CG-CB 3.44Å; F2069-A2158 HydrophobicContact CZ-CB 4.34Å
2070S75Confident83.3Confident89.6 Ų89.671.1 Ų71.163%0.62739%0.385SS*.SBendtrans-150.5122167.5173.10000112.4
2071P82.1Confident83.3Confident70.2 Ų70.272.3 Ų72.346%0.45639%0.392SS..  cis-88.6170.6-0.637.1-36.9000114F2069 T2073 Y2074F2069-P2071 CarbonylContact C-O 3.52Å; F2069-P2071 WeakPolarHBondContact CB-O 3.44Å; F2069-P2071 CarbonylContact O-C 3.48Å; P2071-T2073 VanDerWaalsContact C-N 3.34Å; P2071-T2073 PolarHBondContact O-N 3.05Å; P2071-Y2074 VanDerWaalsContact CD-OH 3.26Å; P2071-Y2074 WeakPolarHBondContact CD-OH 3.37Å; P2071-Y2074 HydrophobicContact CG-CD1 4.14Å; P2071-Y2074 HydrophobicContact CG-CE1 3.88Å; P2071-Y2074 HydrophobicContact CG-CE2 4.42Å; P2071-Y2074 WeakPolarHBondContact O-CE2 3.25Å; P2071-Y2074 VanDerWaalsContact O-CZ 3.22Å; P2071-Y2074 PolarHBondContact O-OH 3.06Å; P2071-Y2074 VanDerWaalsContact O-OH 3.13Å
2072P80.9Confident83.2Confident80.4 Ų80.470.9 Ų70.952%0.52239%0.386SS..  trans-89.4-10.7-172.433.2-35.9000117.9A2158 I2159P2072-A2158 CarbonylContact O-C 3.36Å; P2072-A2158 VanDerWaalsContact O-CA 3.23Å; P2072-A2158 WeakPolarHBondContact O-CA 3.2Å; P2072-A2158 WeakPolarHBondContact O-CB 3.32Å; P2072-I2159 PolarHBondContact O-N 2.87Å
2073T84.9Confident83.2Confident92 Ų9269.8 Ų69.856%0.56439%0.385SS*.EExtended strand (participates in β ladder)trans-142.3140.3-174.957.90000114.3P2071 I2159P2071-T2073 VanDerWaalsContact C-N 3.34Å; P2071-T2073 PolarHBondContact O-N 3.05Å; T2073-I2159 CarbonylContact C-O 3.5Å; T2073-I2159 VanDerWaalsContact CA-O 3.31Å; T2073-I2159 WeakPolarHBondContact CA-O 3.33Å; T2073-I2159 HydrophobicContact CG2-CB 4.35Å
2074Y86Confident83.1Confident44.2 Ų44.271.8 Ų71.817%0.17340%0.4CS..EExtended strand (participates in β ladder)trans-137.9155.1-174.4-54.6-97.2000114F2069 P2071 L2089 V2091 T2092 A2158 I2159 V2160 T2161F2069-Y2074 HydrophobicContact CD1-CE2 4.42Å; P2071-Y2074 VanDerWaalsContact CD-OH 3.26Å; P2071-Y2074 WeakPolarHBondContact CD-OH 3.37Å; P2071-Y2074 HydrophobicContact CG-CD1 4.14Å; P2071-Y2074 HydrophobicContact CG-CE1 3.88Å; P2071-Y2074 HydrophobicContact CG-CE2 4.42Å; P2071-Y2074 WeakPolarHBondContact O-CE2 3.25Å; P2071-Y2074 VanDerWaalsContact O-CZ 3.22Å; P2071-Y2074 PolarHBondContact O-OH 3.06Å; P2071-Y2074 VanDerWaalsContact O-OH 3.13Å; Y2074-L2089 VanDerWaalsContact CB-CD2 3.48Å; Y2074-L2089 HydrophobicContact CD1-CD1 4Å; Y2074-L2089 HydrophobicContact CD1-CD2 3.9Å; Y2074-L2089 HydrophobicContact CD1-CG 4.31Å; Y2074-L2089 HydrophobicContact CD2-CD2 4.1Å; Y2074-L2089 HydrophobicContact CE1-CD1 4.38Å; Y2074-L2089 HydrophobicContact CG-CD1 4.24Å; Y2074-L2089 HydrophobicContact CG-CD2 3.65Å; Y2074-L2089 HydrophobicContact CG-CG 4.36Å; Y2074-V2091 HydrophobicContact CD2-CG1 4.03Å; Y2074-V2091 HydrophobicContact CE1-CG1 4.36Å; Y2074-V2091 HydrophobicContact CE2-CB 4.35Å; Y2074-V2091 HydrophobicContact CE2-CG1 3.86Å; Y2074-V2091 HydrophobicContact CG-CG1 4.29Å; Y2074-T2092 PolarHBondContact OH-O 3.46Å; Y2074-A2158 HydrophobicContact CD2-CB 4.36Å; Y2074-A2158 HydrophobicContact CE2-CB 4.08Å; Y2074-I2159 WeakPolarHBondContact CD2-O 3.34Å; Y2074-I2159 PolarHBondContact N-O 3.27Å; Y2074-I2159 VanDerWaalsContact N-O 3.08Å; Y2074-V2160 HydrophobicContact CD2-CG2 4.12Å; Y2074-V2160 HydrophobicContact CG-CG2 4.45Å; Y2074-V2160 CarbonylContact O-C 3.52Å; Y2074-V2160 WeakPolarHBondContact O-CA 3.24Å; Y2074-T2161 PolarHBondContact O-N 3Å; Y2074-T2161 VanDerWaalsContact O-N 3.09Å
2075T86.1Confident83.1Confident109.2 Ų109.268.5 Ų68.567%0.6739%0.391SS*.EExtended strand (participates in β ladder)trans-145.3140177-420000112.3T2161 L2163T2075-T2161 CarbonylContact C-O 3.49Å; T2075-T2161 VanDerWaalsContact CA-O 3.31Å; T2075-T2161 WeakPolarHBondContact CA-O 3.23Å; T2075-T2161 HydrophobicContact CG2-CG2 4.36Å; T2075-L2163 HydrophobicContact CG2-CD1 3.78Å; T2075-L2163 HydrophobicContact CG2-CG 4.15Å
2076V88.4Confident83.4Confident40.4 Ų40.470.7 Ų70.725%0.24540%0.397CS..EExtended strand (participates in β ladder)trans-149.2164.3-175.969.80000113.8V2088 L2089 V2160 T2161 I2162 L2163V2076-V2088 HydrophobicContact CB-CG1 4.45Å; V2076-V2088 HydrophobicContact CG1-CG1 3.7Å; V2076-V2088 VanDerWaalsContact CG1-CG1 3.48Å; V2076-V2088 HydrophobicContact CG2-CG1 4.4Å; V2076-L2089 HydrophobicContact CG1-CB 4.4Å; V2076-V2160 HydrophobicContact CG1-CG1 4.42Å; V2076-T2161 PolarHBondContact N-O 3.06Å; V2076-I2162 HydrophobicContact CG1-CB 4.24Å; V2076-I2162 HydrophobicContact CG1-CD1 4.34Å; V2076-I2162 HydrophobicContact CG1-CG1 3.84Å; V2076-I2162 HydrophobicContact CG1-CG2 4.11Å; V2076-I2162 CarbonylContact O-C 3.35Å; V2076-I2162 WeakPolarHBondContact O-CA 3.36Å; V2076-L2163 PolarHBondContact O-N 3.07Å; V2076-L2163 VanDerWaalsContact O-N 3.11Å
2077H86.6Confident83.5Confident122.2 Ų122.265.2 Ų65.257%0.56639%0.386SS*.EExtended strand (participates in β ladder)trans-116150176.2-82.4-100.8000111.7L2163 D2165H2077-L2163 CarbonylContact C-O 3.51Å; H2077-L2163 WeakPolarHBondContact CA-O 3.41Å; H2077-D2165 WeakPolarHBondContact CB-OD2 3.26Å; H2077-D2165 IonicContact CE1-OD1 3.18Å; H2077-D2165 IonicContact CG-OD1 3.61Å; H2077-D2165 IonicContact CG-OD2 3.9Å; H2077-D2165 IonicContact ND1-OD1 3.43Å; H2077-D2165 PolarHBondContact ND1-OD1 2.77Å; H2077-D2165 IonicContact ND1-OD2 3.19Å
2078L87.6Confident83.4Confident14.4 Ų14.465.8 Ų65.88%0.07539%0.39CS..EExtended strand (participates in β ladder)trans-143.4143.1-179.3-17163.5000110.8E2080 C2082 F2086 V2088 F2116 V2127 I2132 I2162 L2163 I2164 D2165L2078-E2080 PolarHBondContact O-N 3.01Å; L2078-C2082 HydrophobicContact CD1-CB 4.02Å; L2078-C2082 VanDerWaalsContact CD1-SG 3.54Å; L2078-C2082 WeakPolarHBondContact CD1-SG 3.49Å; L2078-C2082 HydrophobicContact CD2-CB 4.49Å; L2078-C2082 HydrophobicContact CG-CB 4.16Å; L2078-F2086 HydrophobicContact CD1-CD1 3.52Å; L2078-F2086 VanDerWaalsContact CD1-CD1 3.5Å; L2078-F2086 HydrophobicContact CD1-CE1 3.48Å; L2078-F2086 VanDerWaalsContact CD1-CE1 3.47Å; L2078-F2086 HydrophobicContact CD1-CG 4.42Å; L2078-F2086 HydrophobicContact CD1-CZ 4.3Å; L2078-V2088 HydrophobicContact CD1-CG2 4.16Å; L2078-V2088 HydrophobicContact CD2-CG1 4.41Å; L2078-V2088 HydrophobicContact CD2-CG2 4.11Å; L2078-F2116 HydrophobicContact CD2-CE1 3.89Å; L2078-F2116 HydrophobicContact CD2-CZ 4.16Å; L2078-V2127 HydrophobicContact CD1-CG2 4.29Å; L2078-V2127 HydrophobicContact CD2-CG2 3.87Å; L2078-I2132 HydrophobicContact CD2-CD1 3.76Å; L2078-I2132 HydrophobicContact CD2-CG1 4.18Å; L2078-I2132 HydrophobicContact CD2-CG2 4.35Å; L2078-I2132 HydrophobicContact CG-CD1 4.44Å; L2078-I2162 HydrophobicContact CB-CG2 3.94Å; L2078-I2162 HydrophobicContact CD2-CG2 4.13Å; L2078-L2163 CarbonylContact C-O 3.21Å; L2078-L2163 WeakPolarHBondContact CA-O 3.2Å; L2078-L2163 WeakPolarHBondContact CB-O 3.35Å; L2078-L2163 PolarHBondContact N-O 2.98Å; L2078-I2164 HydrophobicContact CB-CD1 3.99Å; L2078-I2164 HydrophobicContact CD2-CD1 4.12Å; L2078-I2164 HydrophobicContact CG-CD1 4.39Å; L2078-I2164 CarbonylContact O-C 3.53Å; L2078-I2164 VanDerWaalsContact O-CA 3.26Å; L2078-I2164 WeakPolarHBondContact O-CA 3.33Å; L2078-D2165 PolarHBondContact O-N 2.89Å
2079L84Confident83.7Confident90.6 Ų90.663.6 Ų63.647%0.47437%0.374SS..EExtended strand (participates in β ladder)trans-84.6146.9172.7-106.2149000109.9C2082 D2165 I2167L2079-C2082 VanDerWaalsContact O-CB 3.31Å; L2079-C2082 WeakPolarHBondContact O-CB 3.32Å; L2079-C2082 PolarHBondContact O-N 3.06Å; L2079-C2082 PolarHBondContact O-SG 3.03Å; L2079-D2165 HydrophobicContact CD1-CB 3.93Å; L2079-D2165 HydrophobicContact CD2-CB 4.01Å; L2079-D2165 HydrophobicContact CG-CB 4.47Å; L2079-I2167 HydrophobicContact CB-CD1 4.26Å; L2079-I2167 HydrophobicContact CD1-CD1 4.36Å; L2079-I2167 HydrophobicContact CD1-CG1 3.89Å; L2079-I2167 HydrophobicContact CD2-CD1 3.96Å; L2079-I2167 HydrophobicContact CD2-CG1 4.15Å; L2079-I2167 HydrophobicContact CG-CD1 3.76Å; L2079-I2167 HydrophobicContact CG-CG1 3.86Å
2080E84.5Confident83.8Confident11.2 Ų11.267.3 Ų67.35%0.05239%0.392CS..THydrogen-bonded Turntrans-64.5176172.476-178141.300113L2078 C2082 I2132 R2134 I2164 D2165 D2166 I2167L2078-E2080 PolarHBondContact O-N 3.01Å; E2080-C2082 PolarHBondContact O-N 3.03Å; E2080-I2132 CarbonylContact C-O 3.5Å; E2080-I2132 HydrophobicContact CB-CG2 4.28Å; E2080-I2132 WeakPolarHBondContact CB-O 3.17Å; E2080-R2134 HydrophobicContact CB-CB 4.41Å; E2080-R2134 IonicContact OE1-NE 3.92Å; E2080-R2134 VanDerWaalsContact OE2-CB 3.28Å; E2080-R2134 WeakPolarHBondContact OE2-CB 3.31Å; E2080-R2134 PolarHBondContact OE2-N 3.27Å; E2080-I2164 HydrophobicContact CB-CG2 3.84Å; E2080-D2165 VanDerWaalsContact CB-O 3.29Å; E2080-D2165 WeakPolarHBondContact CB-O 3.41Å; E2080-D2165 WeakPolarHBondContact CG-O 3.5Å; E2080-D2165 PolarHBondContact N-O 3.16Å; E2080-D2165 VanDerWaalsContact N-O 3.1Å; E2080-D2166 VanDerWaalsContact OE1-C 3.26Å; E2080-D2166 VanDerWaalsContact OE1-CA 3.25Å; E2080-D2166 WeakPolarHBondContact OE1-CA 3.32Å; E2080-I2167 HydrophobicContact CG-CB 3.8Å; E2080-I2167 HydrophobicContact CG-CD1 4.08Å; E2080-I2167 HydrophobicContact CG-CG1 3.89Å; E2080-I2167 VanDerWaalsContact O-CD1 3.23Å; E2080-I2167 WeakPolarHBondContact O-CD1 3.46Å; E2080-I2167 WeakPolarHBondContact OE1-CA 3.35Å; E2080-I2167 WeakPolarHBondContact OE1-CD1 3.42Å; E2080-I2167 PolarHBondContact OE1-N 3.09Å; E2080-I2167 VanDerWaalsContact OE1-O 3.06Å
2081N80.8Confident84.3Confident91 Ų9163.2 Ų63.249%0.48736%0.363SS..THydrogen-bonded Turntrans4317.2-176.8-60-49.7000115.1P2083 I2132 I2167 D2169N2081-P2083 VanDerWaalsContact O-N 3.12Å; N2081-I2132 PolarHBondContact N-O 3.11Å; N2081-I2167 HydrophobicContact CB-CD1 4.17Å; N2081-I2167 WeakPolarHBondContact ND2-CD1 3.27Å; N2081-D2169 WeakPolarHBondContact ND2-CB 3.26Å; N2081-D2169 VanDerWaalsContact ND2-CG 3.27Å; N2081-D2169 PolarHBondContact ND2-OD2 3.15Å
2082C80.8Confident84.5Confident19.4 Ų19.463.5 Ų63.513%0.13136%0.364CS..PPolyproline II helixtrans-62.6133174.5-74.60000111.3L2078 L2079 E2080 F2086 V2127L2078-C2082 HydrophobicContact CD1-CB 4.02Å; L2078-C2082 VanDerWaalsContact CD1-SG 3.54Å; L2078-C2082 WeakPolarHBondContact CD1-SG 3.49Å; L2078-C2082 HydrophobicContact CD2-CB 4.49Å; L2078-C2082 HydrophobicContact CG-CB 4.16Å; L2079-C2082 VanDerWaalsContact O-CB 3.31Å; L2079-C2082 WeakPolarHBondContact O-CB 3.32Å; L2079-C2082 PolarHBondContact O-N 3.06Å; L2079-C2082 PolarHBondContact O-SG 3.03Å; E2080-C2082 PolarHBondContact O-N 3.03Å; C2082-F2086 HydrophobicContact CB-CB 4.3Å; C2082-F2086 HydrophobicContact CB-CD1 4.37Å; C2082-F2086 HydrophobicContact CB-CG 4.26Å; C2082-V2127 HydrophobicContact CB-CG2 4.21Å
2083P80.9Confident84.7Confident84.8 Ų84.860.5 Ų60.555%0.55135%0.346SS*.PPolyproline II helixtrans-71.4149.5-172.227.3-34.7000112.5N2081 G2085 F2086N2081-P2083 VanDerWaalsContact O-N 3.12Å; P2083-G2085 PolarHBondContact O-N 2.87Å; P2083-F2086 HydrophobicContact CG-CB 4.43Å; P2083-F2086 VanDerWaalsContact O-CB 3.31Å; P2083-F2086 WeakPolarHBondContact O-CB 3.31Å; P2083-F2086 PolarHBondContact O-N 2.77Å; P2083-F2086 VanDerWaalsContact O-N 3.08Å
2084P80.2Confident84.6Confident78.6 Ų78.660.5 Ų60.551%0.5135%0.346SS..THydrogen-bonded Turntrans-49.2136171.6-31.637.9000113.3F2086 G2128P2084-F2086 VanDerWaalsContact C-N 3.32Å; P2084-F2086 PolarHBondContact O-N 2.9Å; P2084-G2128 WeakPolarHBondContact CA-O 3.27Å; P2084-G2128 VanDerWaalsContact CB-O 3.31Å; P2084-G2128 WeakPolarHBondContact CB-O 3.26Å
2085G81Confident84.6Confident35.8 Ų35.859.9 Ų59.937%0.36935%0.346SS..THydrogen-bonded Turntrans88-2.5-178.900000116.1P2083 S2087 R2126 V2127 G2128P2083-G2085 PolarHBondContact O-N 2.87Å; G2085-S2087 PolarHBondContact O-N 3.05Å; G2085-R2126 WeakPolarHBondContact O-CD 3.32Å; G2085-V2127 WeakPolarHBondContact CA-O 3.35Å; G2085-V2127 PolarHBondContact N-O 3.16Å; G2085-G2128 PolarHBondContact N-O 3.47Å
2086F84.2Confident84.3Confident103 Ų10361.9 Ų61.945%0.45235%0.347SS..  trans-56.2134173-175.2-92.3000111L2078 C2082 P2083 P2084 V2088 R2126 V2127L2078-F2086 HydrophobicContact CD1-CD1 3.52Å; L2078-F2086 VanDerWaalsContact CD1-CD1 3.5Å; L2078-F2086 HydrophobicContact CD1-CE1 3.48Å; L2078-F2086 VanDerWaalsContact CD1-CE1 3.47Å; L2078-F2086 HydrophobicContact CD1-CG 4.42Å; L2078-F2086 HydrophobicContact CD1-CZ 4.3Å; C2082-F2086 HydrophobicContact CB-CB 4.3Å; C2082-F2086 HydrophobicContact CB-CD1 4.37Å; C2082-F2086 HydrophobicContact CB-CG 4.26Å; P2083-F2086 HydrophobicContact CG-CB 4.43Å; P2083-F2086 VanDerWaalsContact O-CB 3.31Å; P2083-F2086 WeakPolarHBondContact O-CB 3.31Å; P2083-F2086 PolarHBondContact O-N 2.77Å; P2083-F2086 VanDerWaalsContact O-N 3.08Å; P2084-F2086 VanDerWaalsContact C-N 3.32Å; P2084-F2086 PolarHBondContact O-N 2.9Å; F2086-V2088 HydrophobicContact CD1-CG2 4.4Å; F2086-V2088 PolarHBondContact O-N 3.15Å; F2086-R2126 CarbonylContact O-C 3.53Å; F2086-R2126 VanDerWaalsContact O-CA 3.25Å; F2086-R2126 WeakPolarHBondContact O-CA 3.35Å; F2086-R2126 WeakPolarHBondContact O-CB 3.35Å; F2086-V2127 HydrophobicContact CB-CB 4.4Å; F2086-V2127 HydrophobicContact CB-CG2 4.05Å; F2086-V2127 HydrophobicContact CD1-CG2 4.37Å; F2086-V2127 WeakPolarHBondContact O-CB 3.43Å; F2086-V2127 WeakPolarHBondContact O-CG2 3.31Å; F2086-V2127 PolarHBondContact O-N 2.86Å
2087S84.9Confident84Confident64.6 Ų64.661.2 Ų61.245%0.45234%0.342SS..EExtended strand (participates in β ladder)trans-90.7120-173.6-104.80000111.5G2085 V2124G2085-S2087 PolarHBondContact O-N 3.05Å; S2087-V2124 VanDerWaalsContact OG-CG1 3.26Å; S2087-V2124 WeakPolarHBondContact OG-CG1 3.12Å
2088V85.4Confident83.3Confident22.4 Ų22.457.8 Ų57.814%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-93.7-51.1-171.1-174.40000112.5V2076 L2078 F2086 F2116 I2125 V2127 I2162V2076-V2088 HydrophobicContact CB-CG1 4.45Å; V2076-V2088 HydrophobicContact CG1-CG1 3.7Å; V2076-V2088 VanDerWaalsContact CG1-CG1 3.48Å; V2076-V2088 HydrophobicContact CG2-CG1 4.4Å; L2078-V2088 HydrophobicContact CD1-CG2 4.16Å; L2078-V2088 HydrophobicContact CD2-CG1 4.41Å; L2078-V2088 HydrophobicContact CD2-CG2 4.11Å; F2086-V2088 HydrophobicContact CD1-CG2 4.4Å; F2086-V2088 PolarHBondContact O-N 3.15Å; V2088-F2116 HydrophobicContact CG2-CD1 4.27Å; V2088-F2116 HydrophobicContact CG2-CE1 4.18Å; V2088-I2125 HydrophobicContact CB-CG2 4.39Å; V2088-I2125 WeakPolarHBondContact CB-O 3.25Å; V2088-I2125 PolarHBondContact N-O 3.16Å; V2088-V2127 HydrophobicContact CG2-CG2 3.98Å; V2088-I2162 HydrophobicContact CG1-CD1 4.12Å; V2088-I2162 HydrophobicContact CG1-CG1 4.32Å; V2088-I2162 HydrophobicContact CG1-CG2 4.23Å
2089L87.3Confident82.8Confident43.8 Ų43.860.1 Ų60.123%0.22936%0.36CS..EExtended strand (participates in β ladder)trans-161.2161.6-172.7-17863000111.5Y2074 V2076 V2091 V2124 I2125 V2160Y2074-L2089 VanDerWaalsContact CB-CD2 3.48Å; Y2074-L2089 HydrophobicContact CD1-CD1 4Å; Y2074-L2089 HydrophobicContact CD1-CD2 3.9Å; Y2074-L2089 HydrophobicContact CD1-CG 4.31Å; Y2074-L2089 HydrophobicContact CD2-CD2 4.1Å; Y2074-L2089 HydrophobicContact CE1-CD1 4.38Å; Y2074-L2089 HydrophobicContact CG-CD1 4.24Å; Y2074-L2089 HydrophobicContact CG-CD2 3.65Å; Y2074-L2089 HydrophobicContact CG-CG 4.36Å; V2076-L2089 HydrophobicContact CG1-CB 4.4Å; L2089-V2091 HydrophobicContact CD2-CG1 3.94Å; L2089-V2091 HydrophobicContact CG-CG1 4.38Å; L2089-V2124 CarbonylContact O-C 3.52Å; L2089-V2124 VanDerWaalsContact O-CA 3.24Å; L2089-V2124 WeakPolarHBondContact O-CA 3.29Å; L2089-I2125 HydrophobicContact CB-CB 4.32Å; L2089-I2125 HydrophobicContact CB-CD1 4.38Å; L2089-I2125 HydrophobicContact CD2-CD1 4.43Å; L2089-I2125 PolarHBondContact N-O 3.15Å; L2089-I2125 PolarHBondContact O-N 3.01Å; L2089-V2160 HydrophobicContact CD2-CB 4.32Å; L2089-V2160 HydrophobicContact CD2-CG1 3.65Å; L2089-V2160 VanDerWaalsContact CD2-CG1 3.5Å; L2089-V2160 HydrophobicContact CD2-CG2 3.99Å
2090Q87.7Confident82.5Confident106 Ų10660.8 Ų60.850%0.49536%0.363SS..EExtended strand (participates in β ladder)trans-127.9138.7170.4-170.3175-0.400112.5T2092 T2122 G2123 V2124Q2090-T2092 HydrophobicContact CG-CG2 4.46Å; Q2090-T2122 VanDerWaalsContact CG-O 3.3Å; Q2090-T2122 WeakPolarHBondContact CG-O 3.32Å; Q2090-T2122 PolarHBondContact NE2-O 3.22Å; Q2090-G2123 WeakPolarHBondContact CA-O 3.23Å; Q2090-V2124 HydrophobicContact CB-CG2 4.06Å; Q2090-V2124 HydrophobicContact CG-CG2 3.69Å
2091V86.8Confident82.3Confident3 Ų361.4 Ų61.42%0.01837%0.367CS..  trans-120.5156.1174-60.90000112.4F2069 Y2074 L2089 Y2106 I2118 G2123 I2125 V2144 V2160F2069-V2091 HydrophobicContact CD1-CB 4.37Å; F2069-V2091 HydrophobicContact CE1-CB 4Å; F2069-V2091 HydrophobicContact CE1-CG2 3.85Å; F2069-V2091 HydrophobicContact CZ-CG2 4.43Å; Y2074-V2091 HydrophobicContact CD2-CG1 4.03Å; Y2074-V2091 HydrophobicContact CE1-CG1 4.36Å; Y2074-V2091 HydrophobicContact CE2-CB 4.35Å; Y2074-V2091 HydrophobicContact CE2-CG1 3.86Å; Y2074-V2091 HydrophobicContact CG-CG1 4.29Å; L2089-V2091 HydrophobicContact CD2-CG1 3.94Å; L2089-V2091 HydrophobicContact CG-CG1 4.38Å; V2091-Y2106 HydrophobicContact CG2-CD1 4.23Å; V2091-Y2106 HydrophobicContact CG2-CE1 4.41Å; V2091-I2118 HydrophobicContact CG2-CD1 3.86Å; V2091-G2123 WeakPolarHBondContact CG2-O 3.27Å; V2091-G2123 PolarHBondContact N-O 2.95Å; V2091-G2123 VanDerWaalsContact O-CA 3.32Å; V2091-G2123 WeakPolarHBondContact O-CA 3.45Å; V2091-I2125 HydrophobicContact CG1-CD1 4.32Å; V2091-V2144 HydrophobicContact CG2-CG1 4.04Å; V2091-V2160 HydrophobicContact CG1-CG2 3.67Å
2092T85.3Confident82.1Confident76.6 Ų76.658.2 Ų58.247%0.4736%0.355SS..  trans-144.6142.2-173.751.90000115.1F2069 Y2074 Q2090 Y2106F2069-T2092 WeakPolarHBondContact CD1-O 3.23Å; Y2074-T2092 PolarHBondContact OH-O 3.46Å; Q2090-T2092 HydrophobicContact CG-CG2 4.46Å; T2092-Y2106 WeakPolarHBondContact CA-OH 3.28Å
2093A85.2Confident82.1Confident17 Ų1760.7 Ų60.714%0.1437%0.365CS..EExtended strand (participates in β ladder)trans-136.2166.9174.500000113.1T2068 F2069 L2104 Y2106 A2146T2068-A2093 CarbonylContact O-C 3.57Å; T2068-A2093 VanDerWaalsContact O-CA 3.27Å; T2068-A2093 WeakPolarHBondContact O-CA 3.35Å; T2068-A2093 WeakPolarHBondContact O-CB 3.29Å; F2069-A2093 HydrophobicContact CD1-CB 4.04Å; F2069-A2093 HydrophobicContact CD2-CB 4.12Å; F2069-A2093 HydrophobicContact CE1-CB 3.73Å; F2069-A2093 HydrophobicContact CE2-CB 3.93Å; F2069-A2093 HydrophobicContact CG-CB 3.99Å; F2069-A2093 HydrophobicContact CZ-CB 3.84Å; A2093-L2104 HydrophobicContact CB-CD1 3.85Å; A2093-L2104 VanDerWaalsContact CB-CD1 3.49Å; A2093-L2104 WeakPolarHBondContact O-CD1 3.24Å; A2093-Y2106 WeakPolarHBondContact CA-OH 3.35Å; A2093-Y2106 HydrophobicContact CB-CE1 3.99Å; A2093-Y2106 PolarHBondContact N-OH 3.2Å; A2093-Y2106 PolarHBondContact O-OH 2.91Å; A2093-A2146 HydrophobicContact CB-CB 3.95Å
2094T83.8Confident82.4Confident93 Ų9357.9 Ų57.957%0.57135%0.345SS*.EExtended strand (participates in β ladder)trans-138.6150.1-177.353.80000114.5P2067 T2068P2067-T2094 WeakPolarHBondContact CA-O 3.24Å; T2068-T2094 PolarHBondContact N-O 2.85Å; T2068-T2094 PolarHBondContact O-N 3.05Å; T2068-T2094 PolarHBondContact O-OG1 3.25Å
2095D84.7Confident82.7Confident30.8 Ų30.856.5 Ų56.517%0.16534%0.335CS..  trans-145161.3175.1-149.5-39.3000111.8N2065 W2066 P2067 D2097 L2104N2065-D2095 VanDerWaalsContact CB-OD1 3.31Å; N2065-D2095 WeakPolarHBondContact CB-OD1 3.23Å; W2066-D2095 VanDerWaalsContact CA-OD2 3.29Å; W2066-D2095 WeakPolarHBondContact CA-OD2 3.28Å; W2066-D2095 VanDerWaalsContact N-CG 3.29Å; W2066-D2095 PolarHBondContact N-OD1 3.15Å; W2066-D2095 PolarHBondContact N-OD2 3Å; W2066-D2095 VanDerWaalsContact N-OD2 3.11Å; P2067-D2095 WeakPolarHBondContact CD-OD2 3.45Å; P2067-D2095 VanDerWaalsContact CG-OD2 3.23Å; P2067-D2095 WeakPolarHBondContact CG-OD2 3.3Å; D2095-D2097 VanDerWaalsContact C-N 3.33Å; D2095-D2097 WeakPolarHBondContact OD1-CB 3.45Å; D2095-D2097 PolarHBondContact OD1-N 3.07Å; D2095-D2097 VanDerWaalsContact OD1-N 3.16Å; D2095-L2104 HydrophobicContact CB-CD1 4.39Å; D2095-L2104 HydrophobicContact CB-CD2 3.95Å; D2095-L2104 HydrophobicContact CB-CG 4.26Å
2096E79.3Confident83.2Confident151 Ų15155.8 Ų55.871%0.70632%0.321SS*.  trans-112-20.2-171.7-68.5-78139.200117.7R2029 E2030 N2065R2029-E2096 PolarHBondContact NH2-O 3.02Å; E2030-E2096 HydrophobicContact CG-CB 4Å; N2065-E2096 HydrophobicContact CB-CB 4.32Å
2097D82.9Confident83.5Confident25.8 Ų25.856.2 Ų56.214%0.13832%0.32CS..  trans-71.8171.7-176.8-69.1-28.3000114.4N2063 D2064 N2065 D2095 N2101 G2102N2063-D2097 VanDerWaalsContact CA-OD2 3.29Å; N2063-D2097 WeakPolarHBondContact CA-OD2 3.02Å; N2063-D2097 PolarHBondContact OD1-OD2 3.13Å; D2064-D2097 VanDerWaalsContact C-OD2 3.26Å; D2064-D2097 WeakPolarHBondContact CA-OD2 3.35Å; D2064-D2097 PolarHBondContact N-OD1 2.8Å; D2064-D2097 PolarHBondContact N-OD2 2.95Å; N2065-D2097 VanDerWaalsContact CB-OD1 3.26Å; N2065-D2097 WeakPolarHBondContact CB-OD1 3.36Å; N2065-D2097 WeakPolarHBondContact CB-OD2 3.31Å; N2065-D2097 PolarHBondContact N-OD1 3.17Å; N2065-D2097 VanDerWaalsContact N-OD1 3.15Å; N2065-D2097 PolarHBondContact N-OD2 3.15Å; N2065-D2097 VanDerWaalsContact N-OD2 3.15Å; N2065-D2097 VanDerWaalsContact ND2-CG 3.32Å; N2065-D2097 PolarHBondContact ND2-OD1 3.02Å; N2065-D2097 PolarHBondContact ND2-OD2 3.45Å; D2095-D2097 VanDerWaalsContact C-N 3.33Å; D2095-D2097 WeakPolarHBondContact OD1-CB 3.45Å; D2095-D2097 PolarHBondContact OD1-N 3.07Å; D2095-D2097 VanDerWaalsContact OD1-N 3.16Å; D2097-N2101 HydrophobicContact CB-CB 3.5Å; D2097-N2101 VanDerWaalsContact CB-CB 3.43Å; D2097-G2102 WeakPolarHBondContact O-CA 3.35Å; D2097-G2102 PolarHBondContact O-N 3.31Å
2098S72.4Confident83.7Confident51.6 Ų51.654.4 Ų54.436%0.36131%0.305SS..SBendtrans-94.8150.2179.6-178.70000114R2029 D2061 L2100 N2101 G2102R2029-S2098 PolarHBondContact NH1-OG 2.98Å; R2029-S2098 PolarHBondContact NH2-OG 3.05Å; D2061-S2098 VanDerWaalsContact CG-N 3.31Å; D2061-S2098 WeakPolarHBondContact OD1-CB 3.46Å; D2061-S2098 PolarHBondContact OD1-N 2.86Å; D2061-S2098 WeakPolarHBondContact OD2-CB 3.34Å; D2061-S2098 PolarHBondContact OD2-N 3.09Å; D2061-S2098 PolarHBondContact OD2-OG 3.12Å; S2098-L2100 PolarHBondContact O-N 2.96Å; S2098-N2101 WeakPolarHBondContact O-CB 3.33Å; S2098-N2101 PolarHBondContact O-N 3.07Å; S2098-N2101 PolarHBondContact O-ND2 3Å; S2098-G2102 PolarHBondContact O-N 2.74Å
2099G77.1Confident83.7Confident62.8 Ų62.858.2 Ų58.265%0.64732%0.321SS*.THydrogen-bonded Turntrans65.5-129.2176.100000112.7N2101 G2102 E2103G2099-N2101 VanDerWaalsContact C-N 3.27Å; G2099-N2101 PolarHBondContact O-N 3.1Å; G2099-N2101 VanDerWaalsContact O-N 3.13Å; G2099-G2102 PolarHBondContact O-N 3.29Å; G2099-E2103 VanDerWaalsContact O-CB 3.28Å; G2099-E2103 WeakPolarHBondContact O-CB 3.39Å; G2099-E2103 PolarHBondContact O-N 3.18Å
2100L77.1Confident83.5Confident103.6 Ų103.658.3 Ų58.354%0.54233%0.328SS..THydrogen-bonded Turntrans-68.4-24.5179.6-69.6174000112.8S2098 G2102 E2103 R2149 G2150S2098-L2100 PolarHBondContact O-N 2.96Å; L2100-G2102 VanDerWaalsContact C-N 3.29Å; L2100-G2102 PolarHBondContact O-N 2.97Å; L2100-G2102 VanDerWaalsContact O-N 3.11Å; L2100-E2103 VanDerWaalsContact CD2-OE2 3.32Å; L2100-E2103 WeakPolarHBondContact CD2-OE2 3.35Å; L2100-E2103 WeakPolarHBondContact O-CB 3.49Å; L2100-E2103 PolarHBondContact O-N 3.12Å; L2100-R2149 HydrophobicContact CB-CB 4.12Å; L2100-R2149 HydrophobicContact CD2-CB 4.25Å; L2100-R2149 CarbonylContact O-C 3.52Å; L2100-R2149 VanDerWaalsContact O-C 3.27Å; L2100-R2149 VanDerWaalsContact O-CA 3.25Å; L2100-R2149 WeakPolarHBondContact O-CA 3.34Å; L2100-R2149 VanDerWaalsContact O-CB 3.25Å; L2100-R2149 WeakPolarHBondContact O-CB 3.4Å; L2100-R2149 PolarHBondContact O-N 3.19Å; L2100-G2150 PolarHBondContact O-N 3.07Å
2101N79.3Confident83.1Confident24.2 Ų24.254.8 Ų54.813%0.12932%0.321CS..THydrogen-bonded Turntrans-73-22-171.5-60.8-22.2000112D2061 D2062 N2063 D2097 S2098 G2099 D2148 G2150D2061-N2101 VanDerWaalsContact OD2-CB 3.28Å; D2061-N2101 WeakPolarHBondContact OD2-CB 3.29Å; D2061-N2101 PolarHBondContact OD2-ND2 3.13Å; D2062-N2101 PolarHBondContact O-ND2 3.24Å; N2063-N2101 WeakPolarHBondContact CA-ND2 3.4Å; N2063-N2101 HydrophobicContact CB-CB 4.03Å; N2063-N2101 VanDerWaalsContact CB-CG 3.48Å; N2063-N2101 WeakPolarHBondContact CB-ND2 3.38Å; N2063-N2101 WeakPolarHBondContact CB-OD1 3.27Å; N2063-N2101 VanDerWaalsContact CG-CG 3.44Å; N2063-N2101 VanDerWaalsContact CG-OD1 3.25Å; N2063-N2101 PolarHBondContact N-ND2 3.11Å; N2063-N2101 WeakPolarHBondContact OD1-CA 3.23Å; N2063-N2101 VanDerWaalsContact OD1-CB 3.25Å; N2063-N2101 WeakPolarHBondContact OD1-CB 3.24Å; N2063-N2101 VanDerWaalsContact OD1-CG 3.26Å; N2063-N2101 PolarHBondContact OD1-ND2 2.81Å; N2063-N2101 PolarHBondContact OD1-O 3.06Å; N2063-N2101 PolarHBondContact OD1-OD1 2.97Å; N2063-N2101 VanDerWaalsContact OD1-OD1 3.11Å; D2097-N2101 HydrophobicContact CB-CB 3.5Å; D2097-N2101 VanDerWaalsContact CB-CB 3.43Å; S2098-N2101 WeakPolarHBondContact O-CB 3.33Å; S2098-N2101 PolarHBondContact O-N 3.07Å; S2098-N2101 PolarHBondContact O-ND2 3Å; G2099-N2101 VanDerWaalsContact C-N 3.27Å; G2099-N2101 PolarHBondContact O-N 3.1Å; G2099-N2101 VanDerWaalsContact O-N 3.13Å; N2101-D2148 WeakPolarHBondContact O-CB 3.44Å; N2101-G2150 WeakPolarHBondContact OD1-CA 3.31Å
2102G77.4Confident82.6Confident23.4 Ų23.455.6 Ų55.624%0.24133%0.327CS..THydrogen-bonded Turntrans-10913.1173.500000115.4D2097 S2098 G2099 L2100 L2104D2097-G2102 WeakPolarHBondContact O-CA 3.35Å; D2097-G2102 PolarHBondContact O-N 3.31Å; S2098-G2102 PolarHBondContact O-N 2.74Å; G2099-G2102 PolarHBondContact O-N 3.29Å; L2100-G2102 VanDerWaalsContact C-N 3.29Å; L2100-G2102 PolarHBondContact O-N 2.97Å; L2100-G2102 VanDerWaalsContact O-N 3.11Å; G2102-L2104 PolarHBondContact O-N 2.77Å
2103E81.8Confident82Confident73.4 Ų73.457.2 Ų57.234%0.34333%0.33SS..  trans-97.7115.6-175.2-168.7-168.2176.600112G2099 L2100 D2148 R2149G2099-E2103 VanDerWaalsContact O-CB 3.28Å; G2099-E2103 WeakPolarHBondContact O-CB 3.39Å; G2099-E2103 PolarHBondContact O-N 3.18Å; L2100-E2103 VanDerWaalsContact CD2-OE2 3.32Å; L2100-E2103 WeakPolarHBondContact CD2-OE2 3.35Å; L2100-E2103 WeakPolarHBondContact O-CB 3.49Å; L2100-E2103 PolarHBondContact O-N 3.12Å; E2103-D2148 CarbonylContact O-C 3.56Å; E2103-D2148 VanDerWaalsContact O-CA 3.31Å; E2103-D2148 WeakPolarHBondContact O-CA 3.26Å; E2103-R2149 HydrophobicContact CB-CB 4.35Å; E2103-R2149 VanDerWaalsContact CD-CD 3.45Å; E2103-R2149 VanDerWaalsContact CD-CZ 3.44Å; E2103-R2149 WeakPolarHBondContact O-CB 3.45Å; E2103-R2149 WeakPolarHBondContact O-CG 3.14Å; E2103-R2149 PolarHBondContact O-N 2.98Å; E2103-R2149 IonicContact OE1-CZ 3.18Å; E2103-R2149 IonicContact OE1-NE 2.89Å; E2103-R2149 IonicContact OE1-NH1 3.66Å; E2103-R2149 PolarHBondContact OE1-NH1 2.83Å; E2103-R2149 IonicContact OE1-NH2 3.9Å; E2103-R2149 PolarHBondContact OE1-NH2 3.06Å; E2103-R2149 WeakPolarHBondContact OE2-CD 3.32Å; E2103-R2149 IonicContact OE2-CZ 3.43Å; E2103-R2149 IonicContact OE2-NE 3.34Å; E2103-R2149 IonicContact OE2-NH1 3.28Å; E2103-R2149 PolarHBondContact OE2-NH1 2.91Å; E2103-R2149 VanDerWaalsContact OE2-NH1 3.12Å
2104L86.3Confident81.7Confident25.2 Ų25.262 Ų6213%0.13235%0.353CS..  trans-93.7143.6-173-60.2-175.2000115.4P2067 A2093 D2095 G2102 Y2106 P2120 A2146 T2147 D2148P2067-L2104 HydrophobicContact CB-CD1 4.31Å; P2067-L2104 HydrophobicContact CB-CD2 3.65Å; P2067-L2104 HydrophobicContact CG-CD2 3.61Å; P2067-L2104 VanDerWaalsContact CG-CD2 3.47Å; A2093-L2104 HydrophobicContact CB-CD1 3.85Å; A2093-L2104 VanDerWaalsContact CB-CD1 3.49Å; A2093-L2104 WeakPolarHBondContact O-CD1 3.24Å; D2095-L2104 HydrophobicContact CB-CD1 4.39Å; D2095-L2104 HydrophobicContact CB-CD2 3.95Å; D2095-L2104 HydrophobicContact CB-CG 4.26Å; G2102-L2104 PolarHBondContact O-N 2.77Å; L2104-Y2106 HydrophobicContact CB-CE2 4.19Å; L2104-P2120 CarbonylContact C-O 3.5Å; L2104-A2146 HydrophobicContact CB-CB 4.32Å; L2104-A2146 HydrophobicContact CD1-CB 4.2Å; L2104-A2146 HydrophobicContact CD2-CB 4.45Å; L2104-T2147 CarbonylContact C-O 3.51Å; L2104-T2147 VanDerWaalsContact CA-O 3.31Å; L2104-T2147 WeakPolarHBondContact CA-O 3.41Å; L2104-D2148 HydrophobicContact CD2-CB 3.99Å
2105V87.3Confident81.6Confident49.4 Ų49.459.3 Ų59.330%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-124.5121.9176.9-1750000111.1P2120 A2146 T2147 R2149V2105-P2120 CarbonylContact C-O 3.58Å; V2105-P2120 VanDerWaalsContact CA-O 3.24Å; V2105-P2120 WeakPolarHBondContact CA-O 3.38Å; V2105-P2120 HydrophobicContact CG1-CB 4.06Å; V2105-A2146 CarbonylContact O-C 3.6Å; V2105-A2146 WeakPolarHBondContact O-CA 3.36Å; V2105-A2146 WeakPolarHBondContact O-CB 3.33Å; V2105-T2147 WeakPolarHBondContact CA-O 3.45Å; V2105-T2147 VanDerWaalsContact CB-O 3.26Å; V2105-T2147 WeakPolarHBondContact CB-O 3.46Å; V2105-T2147 PolarHBondContact N-O 3.06Å; V2105-T2147 PolarHBondContact O-N 3.03Å; V2105-R2149 HydrophobicContact CG2-CG 3.78Å; V2105-R2149 VanDerWaalsContact CG2-NE 3.33Å
2106Y90.6Very high81.8Confident20.2 Ų20.258 Ų588%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-93.4143.4175.4-55.8-89.2000112.7F2069 V2091 T2092 A2093 L2104 I2118 P2120 V2121 G2123 V2144 V2145 A2146F2069-Y2106 HydrophobicContact CD1-CE1 4.36Å; F2069-Y2106 AromaticContact CE1-CD1 3.73Å; F2069-Y2106 HydrophobicContact CE1-CD1 3.93Å; F2069-Y2106 AromaticContact CE1-CE1 3.74Å; F2069-Y2106 HydrophobicContact CE1-CE1 3.74Å; F2069-Y2106 AromaticContact CZ-CD1 3.83Å; F2069-Y2106 HydrophobicContact CZ-CD1 3.83Å; F2069-Y2106 AromaticContact CZ-CE1 3.85Å; F2069-Y2106 HydrophobicContact CZ-CE1 3.98Å; V2091-Y2106 HydrophobicContact CG2-CD1 4.23Å; V2091-Y2106 HydrophobicContact CG2-CE1 4.41Å; T2092-Y2106 WeakPolarHBondContact CA-OH 3.28Å; A2093-Y2106 WeakPolarHBondContact CA-OH 3.35Å; A2093-Y2106 HydrophobicContact CB-CE1 3.99Å; A2093-Y2106 PolarHBondContact N-OH 3.2Å; A2093-Y2106 PolarHBondContact O-OH 2.91Å; L2104-Y2106 HydrophobicContact CB-CE2 4.19Å; Y2106-I2118 HydrophobicContact CG-CD1 4.37Å; Y2106-P2120 WeakPolarHBondContact CB-O 3.4Å; Y2106-P2120 VanDerWaalsContact CD2-O 3.25Å; Y2106-P2120 WeakPolarHBondContact CD2-O 3.29Å; Y2106-P2120 PolarHBondContact N-O 3.16Å; Y2106-P2120 VanDerWaalsContact N-O 3.12Å; Y2106-P2120 WeakPolarHBondContact O-CA 3.37Å; Y2106-P2120 WeakPolarHBondContact O-CB 3.46Å; Y2106-V2121 WeakPolarHBondContact CE2-O 3.34Å; Y2106-G2123 VanDerWaalsContact CD2-CA 3.41Å; Y2106-G2123 VanDerWaalsContact CE2-N 3.35Å; Y2106-V2144 HydrophobicContact CD1-CG1 4.47Å; Y2106-V2145 CarbonylContact C-O 3.5Å; Y2106-V2145 VanDerWaalsContact CA-O 3.23Å; Y2106-V2145 WeakPolarHBondContact CA-O 3.31Å; Y2106-A2146 HydrophobicContact CD1-CB 3.89Å; Y2106-A2146 HydrophobicContact CE1-CB 4.02Å; Y2106-A2146 HydrophobicContact CG-CB 4.45Å
2107R90.5Very high82.2Confident113 Ų11355.5 Ų55.543%0.42632%0.316SS..EExtended strand (participates in β ladder)trans-147.1153172.664.9179.7-178.296.23.2113E2109 I2118 V2144 V2145R2107-E2109 IonicContact CZ-OE1 3.14Å; R2107-E2109 IonicContact NH1-OE1 3.32Å; R2107-E2109 PolarHBondContact NH1-OE1 3.08Å; R2107-E2109 VanDerWaalsContact NH1-OE1 3.12Å; R2107-E2109 IonicContact NH2-OE1 2.93Å; R2107-E2109 PolarHBondContact NH2-OE1 3.29Å; R2107-I2118 VanDerWaalsContact C-CG2 3.43Å; R2107-I2118 VanDerWaalsContact CA-CG2 3.43Å; R2107-V2144 CarbonylContact O-C 3.5Å; R2107-V2144 VanDerWaalsContact O-CA 3.29Å; R2107-V2144 WeakPolarHBondContact O-CA 3.38Å; R2107-V2144 WeakPolarHBondContact O-CG1 3.34Å; R2107-V2145 HydrophobicContact CG-CB 3.95Å; R2107-V2145 HydrophobicContact CG-CG1 4.29Å; R2107-V2145 HydrophobicContact CG-CG2 4.41Å; R2107-V2145 PolarHBondContact N-O 2.91Å; R2107-V2145 PolarHBondContact O-N 3.11Å
2108I88.7Confident82.5Confident27.2 Ų27.255.6 Ų55.614%0.13932%0.317CS..EExtended strand (participates in β ladder)trans-84.7130.4166.5-74.6164.2000108.1A2110 A2112 Q2113 F2116 I2118 L2142 T2143 V2144I2108-A2110 WeakPolarHBondContact CG2-O 3.3Å; I2108-A2112 HydrophobicContact CD1-CB 4.29Å; I2108-A2112 HydrophobicContact CG2-CB 4.03Å; I2108-Q2113 HydrophobicContact CB-CG 4.25Å; I2108-Q2113 HydrophobicContact CG2-CG 3.97Å; I2108-Q2113 PolarHBondContact O-NE2 2.93Å; I2108-F2116 HydrophobicContact CD1-CB 4.13Å; I2108-F2116 WeakPolarHBondContact CD1-O 3.29Å; I2108-I2118 HydrophobicContact CB-CB 4.48Å; I2108-I2118 HydrophobicContact CB-CG2 4.2Å; I2108-I2118 HydrophobicContact CD1-CB 3.88Å; I2108-I2118 HydrophobicContact CD1-CD1 4.23Å; I2108-I2118 HydrophobicContact CD1-CG2 4.07Å; I2108-I2118 HydrophobicContact CG1-CB 3.91Å; I2108-I2118 HydrophobicContact CG1-CD1 3.82Å; I2108-I2118 HydrophobicContact CG1-CG1 4.45Å; I2108-I2118 HydrophobicContact CG1-CG2 3.72Å; I2108-I2118 VanDerWaalsContact N-CG2 3.33Å; I2108-L2142 HydrophobicContact CD1-CD1 4.22Å; I2108-L2142 HydrophobicContact CG2-CB 4.43Å; I2108-L2142 HydrophobicContact CG2-CD2 4.19Å; I2108-T2143 CarbonylContact C-O 3.55Å; I2108-T2143 VanDerWaalsContact CA-O 3.23Å; I2108-T2143 WeakPolarHBondContact CA-O 3.33Å; I2108-T2143 WeakPolarHBondContact CG1-O 3.14Å; I2108-T2143 WeakPolarHBondContact CG2-O 3.38Å; I2108-V2144 HydrophobicContact CG1-CG2 4.23Å
2109E85.8Confident83.2Confident100.6 Ų100.656.7 Ų56.747%0.4732%0.316SS..EExtended strand (participates in β ladder)trans-94.8-35.2179.6-176.4160.5-10300113.1R2107 Q2113 T2143 V2145R2107-E2109 IonicContact CZ-OE1 3.14Å; R2107-E2109 IonicContact NH1-OE1 3.32Å; R2107-E2109 PolarHBondContact NH1-OE1 3.08Å; R2107-E2109 VanDerWaalsContact NH1-OE1 3.12Å; R2107-E2109 IonicContact NH2-OE1 2.93Å; R2107-E2109 PolarHBondContact NH2-OE1 3.29Å; E2109-Q2113 PolarHBondContact O-NE2 3Å; E2109-Q2113 VanDerWaalsContact O-NE2 3.16Å; E2109-T2143 HydrophobicContact CB-CG2 4.32Å; E2109-T2143 PolarHBondContact N-O 2.85Å; E2109-V2145 HydrophobicContact CB-CG2 3.82Å; E2109-V2145 HydrophobicContact CG-CG2 4.39Å
2110A82.9Confident83.6Confident46 Ų4656.5 Ų56.538%0.3830%0.303SS..EExtended strand (participates in β ladder)trans-155.5155.2-178.700000112.4I2108 L2142 T2143I2108-A2110 WeakPolarHBondContact CG2-O 3.3Å; A2110-L2142 CarbonylContact O-C 3.53Å; A2110-L2142 WeakPolarHBondContact O-CA 3.38Å; A2110-T2143 PolarHBondContact O-N 2.9Å
2111G78.9Confident83.9Confident33.2 Ų33.255.9 Ų55.934%0.34230%0.303SS..SBendtrans97.537.9167.200000116.2Q2113 R2141 L2142G2111-Q2113 VanDerWaalsContact C-N 3.27Å; G2111-Q2113 PolarHBondContact O-N 2.87Å; G2111-R2141 CarbonylContact C-O 3.59Å; G2111-R2141 VanDerWaalsContact CA-O 3.27Å; G2111-R2141 WeakPolarHBondContact CA-O 3.45Å; G2111-L2142 WeakPolarHBondContact O-CD2 3.4Å
2112A76.6Confident84.2Confident18.6 Ų18.657.2 Ų57.215%0.15431%0.313CS..  trans-3.920.1174.600000114.9I2108 D2114 R2115 F2116 Y2140 L2142I2108-A2112 HydrophobicContact CD1-CB 4.29Å; I2108-A2112 HydrophobicContact CG2-CB 4.03Å; A2112-D2114 WeakPolarHBondContact CA-OD1 3.35Å; A2112-D2114 PolarHBondContact O-N 3.21Å; A2112-D2114 VanDerWaalsContact O-N 3.15Å; A2112-R2115 HydrophobicContact CB-CB 4.44Å; A2112-R2115 WeakPolarHBondContact O-CB 3.36Å; A2112-R2115 PolarHBondContact O-N 2.8Å; A2112-R2115 VanDerWaalsContact O-N 3.12Å; A2112-F2116 HydrophobicContact CB-CB 4.29Å; A2112-F2116 HydrophobicContact CB-CD2 3.97Å; A2112-F2116 HydrophobicContact CB-CE2 4.23Å; A2112-F2116 VanDerWaalsContact CB-O 3.22Å; A2112-F2116 WeakPolarHBondContact CB-O 3.45Å; A2112-F2116 WeakPolarHBondContact O-CD2 3.48Å; A2112-F2116 PolarHBondContact O-N 3.05Å; A2112-F2116 VanDerWaalsContact O-N 3.11Å; A2112-Y2140 HydrophobicContact CB-CD1 3.74Å; A2112-Y2140 HydrophobicContact CB-CE1 4.21Å; A2112-Y2140 HydrophobicContact CB-CG 4.17Å; A2112-L2142 HydrophobicContact CB-CD2 4.12Å
2113Q73.6Confident84.6Confident110.2 Ų110.256.1 Ų56.152%0.51530%0.301SS..THydrogen-bonded Turntrans-29.65.3-176.9-67.5162.7-43.400113.3I2108 E2109 G2111 R2115 F2116 Y2140I2108-Q2113 HydrophobicContact CB-CG 4.25Å; I2108-Q2113 HydrophobicContact CG2-CG 3.97Å; I2108-Q2113 PolarHBondContact O-NE2 2.93Å; E2109-Q2113 PolarHBondContact O-NE2 3Å; E2109-Q2113 VanDerWaalsContact O-NE2 3.16Å; G2111-Q2113 VanDerWaalsContact C-N 3.27Å; G2111-Q2113 PolarHBondContact O-N 2.87Å; Q2113-R2115 PolarHBondContact O-N 3.19Å; Q2113-F2116 WeakPolarHBondContact CA-O 3.48Å; Q2113-Y2140 HydrophobicContact CB-CD1 4.42Å; Q2113-Y2140 HydrophobicContact CB-CE1 4.41Å; Q2113-Y2140 VanDerWaalsContact OE1-CE1 3.32Å
2114D77.7Confident84.9Confident118 Ų11853.6 Ų53.663%0.63129%0.29SS*.THydrogen-bonded Turntrans-31.5-23.1176.419.7-36.9000114A2112 F2116 A2130A2112-D2114 WeakPolarHBondContact CA-OD1 3.35Å; A2112-D2114 PolarHBondContact O-N 3.21Å; A2112-D2114 VanDerWaalsContact O-N 3.15Å; D2114-F2116 VanDerWaalsContact C-N 3.28Å; D2114-F2116 PolarHBondContact O-N 2.87Å; D2114-A2130 WeakPolarHBondContact O-CB 3.32Å
2115R82.6Confident85.1Confident36.2 Ų36.252.4 Ų52.414%0.13728%0.284CS..THydrogen-bonded Turntrans-93.5-18.5-179-62.1-130.7-132.6-145.4-1.3114A2112 Q2113 V2127 G2128 A2130 T2131 I2132 E2136 Y2140A2112-R2115 HydrophobicContact CB-CB 4.44Å; A2112-R2115 WeakPolarHBondContact O-CB 3.36Å; A2112-R2115 PolarHBondContact O-N 2.8Å; A2112-R2115 VanDerWaalsContact O-N 3.12Å; Q2113-R2115 PolarHBondContact O-N 3.19Å; R2115-V2127 CarbonylContact O-C 3.56Å; R2115-V2127 WeakPolarHBondContact O-CA 3.44Å; R2115-G2128 PolarHBondContact O-N 3.36Å; R2115-A2130 VanDerWaalsContact CD-CB 3.47Å; R2115-A2130 HydrophobicContact CG-CB 3.8Å; R2115-T2131 WeakPolarHBondContact CD-O 3.3Å; R2115-T2131 PolarHBondContact NE-O 2.96Å; R2115-T2131 VanDerWaalsContact NH1-N 3.13Å; R2115-T2131 PolarHBondContact NH1-O 2.89Å; R2115-T2131 PolarHBondContact NH1-OG1 3.06Å; R2115-I2132 HydrophobicContact CB-CD1 3.83Å; R2115-I2132 HydrophobicContact CG-CD1 4.04Å; R2115-E2136 IonicContact CZ-OE1 2.79Å; R2115-E2136 IonicContact CZ-OE2 3.35Å; R2115-E2136 IonicContact NH1-OE1 2.7Å; R2115-E2136 IonicContact NH1-OE2 3.2Å; R2115-E2136 PolarHBondContact NH1-OE2 3.15Å; R2115-E2136 IonicContact NH2-OE1 2.67Å; R2115-E2136 PolarHBondContact NH2-OE1 2.77Å; R2115-E2136 IonicContact NH2-OE2 3.1Å; R2115-E2136 PolarHBondContact NH2-OE2 2.83Å; R2115-Y2140 HydrophobicContact CB-CE1 4.07Å; R2115-Y2140 VanDerWaalsContact CD-CE1 3.48Å; R2115-Y2140 VanDerWaalsContact CD-CZ 3.47Å; R2115-Y2140 VanDerWaalsContact CD-OH 3.25Å; R2115-Y2140 WeakPolarHBondContact CD-OH 3.19Å; R2115-Y2140 HydrophobicContact CG-CE1 4.01Å; R2115-Y2140 VanDerWaalsContact NE-CZ 3.34Å; R2115-Y2140 PolarHBondContact NE-OH 2.8Å; R2115-Y2140 PolarHBondContact NH1-OH 2.89Å; R2115-Y2140 PolarHBondContact NH2-OH 2.91Å
2116F88.8Confident85.2Confident5.2 Ų5.255.5 Ų55.52%0.02329%0.291CS..EExtended strand (participates in β ladder)trans-132.2134.5179.6-59.2-80000113.1L2078 V2088 I2108 A2112 Q2113 D2114 I2125 R2126 V2127 I2132 Y2140 L2142 I2162L2078-F2116 HydrophobicContact CD2-CE1 3.89Å; L2078-F2116 HydrophobicContact CD2-CZ 4.16Å; V2088-F2116 HydrophobicContact CG2-CD1 4.27Å; V2088-F2116 HydrophobicContact CG2-CE1 4.18Å; I2108-F2116 HydrophobicContact CD1-CB 4.13Å; I2108-F2116 WeakPolarHBondContact CD1-O 3.29Å; A2112-F2116 HydrophobicContact CB-CB 4.29Å; A2112-F2116 HydrophobicContact CB-CD2 3.97Å; A2112-F2116 HydrophobicContact CB-CE2 4.23Å; A2112-F2116 VanDerWaalsContact CB-O 3.22Å; A2112-F2116 WeakPolarHBondContact CB-O 3.45Å; A2112-F2116 WeakPolarHBondContact O-CD2 3.48Å; A2112-F2116 PolarHBondContact O-N 3.05Å; A2112-F2116 VanDerWaalsContact O-N 3.11Å; Q2113-F2116 WeakPolarHBondContact CA-O 3.48Å; D2114-F2116 VanDerWaalsContact C-N 3.28Å; D2114-F2116 PolarHBondContact O-N 2.87Å; F2116-I2125 HydrophobicContact CB-CG2 4.21Å; F2116-I2125 HydrophobicContact CD1-CG2 4.22Å; F2116-I2125 HydrophobicContact CG-CG2 4.32Å; F2116-R2126 CarbonylContact C-O 3.58Å; F2116-R2126 VanDerWaalsContact CA-O 3.32Å; F2116-R2126 WeakPolarHBondContact CA-O 3.29Å; F2116-V2127 HydrophobicContact CD1-CG2 4.35Å; F2116-V2127 HydrophobicContact CE1-CG2 4.22Å; F2116-I2132 HydrophobicContact CE1-CD1 4.25Å; F2116-I2132 HydrophobicContact CE2-CD1 4.17Å; F2116-I2132 HydrophobicContact CZ-CD1 3.83Å; F2116-I2132 HydrophobicContact CZ-CG1 4.35Å; F2116-Y2140 HydrophobicContact CD2-CD1 4.36Å; F2116-Y2140 HydrophobicContact CD2-CG 4.34Å; F2116-Y2140 AromaticContact CE2-CD1 3.85Å; F2116-Y2140 HydrophobicContact CE2-CD1 3.94Å; F2116-Y2140 AromaticContact CE2-CD2 3.57Å; F2116-Y2140 HydrophobicContact CE2-CD2 3.74Å; F2116-Y2140 HydrophobicContact CE2-CE1 4.32Å; F2116-Y2140 HydrophobicContact CE2-CE2 4.13Å; F2116-Y2140 AromaticContact CE2-CG 3.48Å; F2116-Y2140 HydrophobicContact CE2-CG 3.61Å; F2116-Y2140 VanDerWaalsContact CE2-CG 3.46Å; F2116-Y2140 AromaticContact CZ-CD2 3.82Å; F2116-Y2140 HydrophobicContact CZ-CD2 3.89Å; F2116-Y2140 HydrophobicContact CZ-CE2 4.29Å; F2116-Y2140 HydrophobicContact CZ-CG 4.24Å; F2116-L2142 HydrophobicContact CB-CD1 4.02Å; F2116-L2142 HydrophobicContact CB-CD2 4.21Å; F2116-L2142 HydrophobicContact CD2-CD1 4.26Å; F2116-L2142 HydrophobicContact CD2-CD2 4.1Å; F2116-L2142 HydrophobicContact CG-CD1 4Å; F2116-L2142 HydrophobicContact CG-CD2 4.38Å; F2116-I2162 HydrophobicContact CD1-CD1 3.78Å; F2116-I2162 VanDerWaalsContact CD1-CD1 3.49Å; F2116-I2162 HydrophobicContact CD2-CD1 4.06Å; F2116-I2162 HydrophobicContact CE1-CD1 3.42Å; F2116-I2162 VanDerWaalsContact CE1-CD1 3.47Å; F2116-I2162 HydrophobicContact CE1-CG2 4.31Å; F2116-I2162 HydrophobicContact CE2-CD1 3.87Å; F2116-I2162 HydrophobicContact CG-CD1 3.94Å; F2116-I2162 HydrophobicContact CZ-CB 4.43Å; F2116-I2162 HydrophobicContact CZ-CD1 3.47Å; F2116-I2162 HydrophobicContact CZ-CG2 4.18Å
2117L87.2Confident85Confident98.4 Ų98.454.9 Ų54.952%0.51529%0.289SS..EExtended strand (participates in β ladder)trans-118.6139.6178.9-61.7174.6000110I2125 R2126L2117-I2125 CarbonylContact O-C 3.49Å; L2117-I2125 VanDerWaalsContact O-CA 3.23Å; L2117-I2125 WeakPolarHBondContact O-CA 3.41Å; L2117-R2126 PolarHBondContact N-O 3.04Å; L2117-R2126 PolarHBondContact O-N 2.95Å; L2117-R2126 VanDerWaalsContact O-N 3.11Å
2118I90.2Very high84.6Confident27.8 Ų27.849.6 Ų49.614%0.14327%0.27CS..EExtended strand (participates in β ladder)trans-108.3140.5170.9-165.6166.6000111.1V2091 Y2106 R2107 I2108 P2120 V2124 I2125 V2144V2091-I2118 HydrophobicContact CG2-CD1 3.86Å; Y2106-I2118 HydrophobicContact CG-CD1 4.37Å; R2107-I2118 VanDerWaalsContact C-CG2 3.43Å; R2107-I2118 VanDerWaalsContact CA-CG2 3.43Å; I2108-I2118 HydrophobicContact CB-CB 4.48Å; I2108-I2118 HydrophobicContact CB-CG2 4.2Å; I2108-I2118 HydrophobicContact CD1-CB 3.88Å; I2108-I2118 HydrophobicContact CD1-CD1 4.23Å; I2108-I2118 HydrophobicContact CD1-CG2 4.07Å; I2108-I2118 HydrophobicContact CG1-CB 3.91Å; I2108-I2118 HydrophobicContact CG1-CD1 3.82Å; I2108-I2118 HydrophobicContact CG1-CG1 4.45Å; I2108-I2118 HydrophobicContact CG1-CG2 3.72Å; I2108-I2118 VanDerWaalsContact N-CG2 3.33Å; I2118-P2120 WeakPolarHBondContact O-CD 3.21Å; I2118-V2124 CarbonylContact C-O 3.48Å; I2118-V2124 VanDerWaalsContact CA-O 3.28Å; I2118-V2124 WeakPolarHBondContact CA-O 3.37Å; I2118-I2125 HydrophobicContact CB-CG1 4.23Å; I2118-I2125 HydrophobicContact CD1-CD1 4.43Å; I2118-I2125 HydrophobicContact CD1-CG1 3.91Å; I2118-I2125 HydrophobicContact CG1-CG1 3.95Å; I2118-V2144 HydrophobicContact CD1-CG1 3.56Å; I2118-V2144 VanDerWaalsContact CD1-CG1 3.46Å; I2118-V2144 HydrophobicContact CD1-CG2 4.19Å
2119H86.7Confident84Confident73.8 Ų73.855.2 Ų55.234%0.34230%0.3SS..  trans-81.8123.3176.7-172.9-84.6000111V2121 T2122 G2123 V2124H2119-V2121 VanDerWaalsContact C-N 3.3Å; H2119-V2121 PolarHBondContact ND1-N 3.01Å; H2119-V2121 PolarHBondContact O-N 3.12Å; H2119-V2121 VanDerWaalsContact O-N 3.11Å; H2119-T2122 VanDerWaalsContact CB-OG1 3.25Å; H2119-T2122 WeakPolarHBondContact CB-OG1 3.28Å; H2119-T2122 VanDerWaalsContact CG-OG1 3.31Å; H2119-T2122 PolarHBondContact ND1-N 2.96Å; H2119-T2122 PolarHBondContact ND1-OG1 3.23Å; H2119-T2122 VanDerWaalsContact ND1-OG1 3.13Å; H2119-T2122 PolarHBondContact O-N 2.98Å; H2119-G2123 WeakPolarHBondContact O-CA 3.28Å; H2119-G2123 PolarHBondContact O-N 3.07Å; H2119-V2124 HydrophobicContact CB-CB 4.36Å; H2119-V2124 WeakPolarHBondContact CB-O 3.45Å; H2119-V2124 PolarHBondContact N-O 2.95Å
2120P85.9Confident83.4Confident58.4 Ų58.452.2 Ų52.238%0.37929%0.292SS..THydrogen-bonded Turntrans-68-20.7-166.325-34.6000114.9L2104 V2105 Y2106 I2118L2104-P2120 CarbonylContact C-O 3.5Å; V2105-P2120 CarbonylContact C-O 3.58Å; V2105-P2120 VanDerWaalsContact CA-O 3.24Å; V2105-P2120 WeakPolarHBondContact CA-O 3.38Å; V2105-P2120 HydrophobicContact CG1-CB 4.06Å; Y2106-P2120 WeakPolarHBondContact CB-O 3.4Å; Y2106-P2120 VanDerWaalsContact CD2-O 3.25Å; Y2106-P2120 WeakPolarHBondContact CD2-O 3.29Å; Y2106-P2120 PolarHBondContact N-O 3.16Å; Y2106-P2120 VanDerWaalsContact N-O 3.12Å; Y2106-P2120 WeakPolarHBondContact O-CA 3.37Å; Y2106-P2120 WeakPolarHBondContact O-CB 3.46Å; I2118-P2120 WeakPolarHBondContact O-CD 3.21Å
2121V83.5Confident83.1Confident91.2 Ų91.254.7 Ų54.755%0.55330%0.303SS*.THydrogen-bonded Turntrans-103.4-21.6180-174.10000113.1Y2106 H2119Y2106-V2121 WeakPolarHBondContact CE2-O 3.34Å; H2119-V2121 VanDerWaalsContact C-N 3.3Å; H2119-V2121 PolarHBondContact ND1-N 3.01Å; H2119-V2121 PolarHBondContact O-N 3.12Å; H2119-V2121 VanDerWaalsContact O-N 3.11Å
2122T85Confident83.3Confident52 Ų5253.4 Ų53.432%0.31929%0.288SS..THydrogen-bonded Turntrans-118-11-171.662.80000114.2Q2090 H2119 V2124Q2090-T2122 VanDerWaalsContact CG-O 3.3Å; Q2090-T2122 WeakPolarHBondContact CG-O 3.32Å; Q2090-T2122 PolarHBondContact NE2-O 3.22Å; H2119-T2122 VanDerWaalsContact CB-OG1 3.25Å; H2119-T2122 WeakPolarHBondContact CB-OG1 3.28Å; H2119-T2122 VanDerWaalsContact CG-OG1 3.31Å; H2119-T2122 PolarHBondContact ND1-N 2.96Å; H2119-T2122 PolarHBondContact ND1-OG1 3.23Å; H2119-T2122 VanDerWaalsContact ND1-OG1 3.13Å; H2119-T2122 PolarHBondContact O-N 2.98Å; T2122-V2124 PolarHBondContact O-N 2.97Å; T2122-V2124 WeakPolarHBondContact OG1-CG2 3.31Å
2123G85.3Confident83.6Confident0 Ų055.1 Ų55.10%030%0.295CS..  trans70.410.5-179.700000114.9Q2090 V2091 Y2106 H2119 I2125Q2090-G2123 WeakPolarHBondContact CA-O 3.23Å; V2091-G2123 WeakPolarHBondContact CG2-O 3.27Å; V2091-G2123 PolarHBondContact N-O 2.95Å; V2091-G2123 VanDerWaalsContact O-CA 3.32Å; V2091-G2123 WeakPolarHBondContact O-CA 3.45Å; Y2106-G2123 VanDerWaalsContact CD2-CA 3.41Å; Y2106-G2123 VanDerWaalsContact CE2-N 3.35Å; H2119-G2123 WeakPolarHBondContact O-CA 3.28Å; H2119-G2123 PolarHBondContact O-N 3.07Å; G2123-I2125 PolarHBondContact O-N 2.99Å
2124V89.8Confident84.1Confident20 Ų2052.4 Ų52.412%0.12128%0.28CS..EExtended strand (participates in β ladder)trans-76.2120.7180-179.90000110.6S2087 L2089 Q2090 I2118 H2119 T2122 R2126S2087-V2124 VanDerWaalsContact OG-CG1 3.26Å; S2087-V2124 WeakPolarHBondContact OG-CG1 3.12Å; L2089-V2124 CarbonylContact O-C 3.52Å; L2089-V2124 VanDerWaalsContact O-CA 3.24Å; L2089-V2124 WeakPolarHBondContact O-CA 3.29Å; Q2090-V2124 HydrophobicContact CB-CG2 4.06Å; Q2090-V2124 HydrophobicContact CG-CG2 3.69Å; I2118-V2124 CarbonylContact C-O 3.48Å; I2118-V2124 VanDerWaalsContact CA-O 3.28Å; I2118-V2124 WeakPolarHBondContact CA-O 3.37Å; H2119-V2124 HydrophobicContact CB-CB 4.36Å; H2119-V2124 WeakPolarHBondContact CB-O 3.45Å; H2119-V2124 PolarHBondContact N-O 2.95Å; T2122-V2124 PolarHBondContact O-N 2.97Å; T2122-V2124 WeakPolarHBondContact OG1-CG2 3.31Å; V2124-R2126 HydrophobicContact CB-CG 4.46Å; V2124-R2126 HydrophobicContact CG1-CG 3.94Å; V2124-R2126 PolarHBondContact O-N 2.82Å
2125I89.7Confident84.4Confident0.4 Ų0.450.3 Ų50.30%0.00227%0.266CS..EExtended strand (participates in β ladder)trans-87.7129.7173.2-57.9174.5000109.4V2088 L2089 V2091 F2116 L2117 I2118 G2123 L2142 V2144 V2160V2088-I2125 HydrophobicContact CB-CG2 4.39Å; V2088-I2125 WeakPolarHBondContact CB-O 3.25Å; V2088-I2125 PolarHBondContact N-O 3.16Å; L2089-I2125 HydrophobicContact CB-CB 4.32Å; L2089-I2125 HydrophobicContact CB-CD1 4.38Å; L2089-I2125 HydrophobicContact CD2-CD1 4.43Å; L2089-I2125 PolarHBondContact N-O 3.15Å; L2089-I2125 PolarHBondContact O-N 3.01Å; V2091-I2125 HydrophobicContact CG1-CD1 4.32Å; F2116-I2125 HydrophobicContact CB-CG2 4.21Å; F2116-I2125 HydrophobicContact CD1-CG2 4.22Å; F2116-I2125 HydrophobicContact CG-CG2 4.32Å; L2117-I2125 CarbonylContact O-C 3.49Å; L2117-I2125 VanDerWaalsContact O-CA 3.23Å; L2117-I2125 WeakPolarHBondContact O-CA 3.41Å; I2118-I2125 HydrophobicContact CB-CG1 4.23Å; I2118-I2125 HydrophobicContact CD1-CD1 4.43Å; I2118-I2125 HydrophobicContact CD1-CG1 3.91Å; I2118-I2125 HydrophobicContact CG1-CG1 3.95Å; G2123-I2125 PolarHBondContact O-N 2.99Å; I2125-L2142 HydrophobicContact CD1-CD1 4.18Å; I2125-L2142 HydrophobicContact CG2-CD1 3.96Å; I2125-V2144 HydrophobicContact CD1-CG2 4.15Å; I2125-V2160 HydrophobicContact CD1-CB 4.37Å; I2125-V2160 HydrophobicContact CD1-CG1 4.31Å; I2125-V2160 HydrophobicContact CD1-CG2 3.89Å
2126R89Confident84.2Confident115.2 Ų115.254.5 Ų54.544%0.43529%0.287SS..EExtended strand (participates in β ladder)trans-128.2157.5179.7-58.4-174.9-179.3-169.12.2111.6G2085 F2086 F2116 L2117 V2124 G2128G2085-R2126 WeakPolarHBondContact O-CD 3.32Å; F2086-R2126 CarbonylContact O-C 3.53Å; F2086-R2126 VanDerWaalsContact O-CA 3.25Å; F2086-R2126 WeakPolarHBondContact O-CA 3.35Å; F2086-R2126 WeakPolarHBondContact O-CB 3.35Å; F2116-R2126 CarbonylContact C-O 3.58Å; F2116-R2126 VanDerWaalsContact CA-O 3.32Å; F2116-R2126 WeakPolarHBondContact CA-O 3.29Å; L2117-R2126 PolarHBondContact N-O 3.04Å; L2117-R2126 PolarHBondContact O-N 2.95Å; L2117-R2126 VanDerWaalsContact O-N 3.11Å; V2124-R2126 HydrophobicContact CB-CG 4.46Å; V2124-R2126 HydrophobicContact CG1-CG 3.94Å; V2124-R2126 PolarHBondContact O-N 2.82Å; R2126-G2128 PolarHBondContact O-N 2.92Å
2127V86.4Confident83.8Confident7.8 Ų7.857.9 Ų57.95%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-65.7134.1166.7-179.20000109.6L2078 C2082 G2085 F2086 V2088 R2115 F2116 I2132L2078-V2127 HydrophobicContact CD1-CG2 4.29Å; L2078-V2127 HydrophobicContact CD2-CG2 3.87Å; C2082-V2127 HydrophobicContact CB-CG2 4.21Å; G2085-V2127 WeakPolarHBondContact CA-O 3.35Å; G2085-V2127 PolarHBondContact N-O 3.16Å; F2086-V2127 HydrophobicContact CB-CB 4.4Å; F2086-V2127 HydrophobicContact CB-CG2 4.05Å; F2086-V2127 HydrophobicContact CD1-CG2 4.37Å; F2086-V2127 WeakPolarHBondContact O-CB 3.43Å; F2086-V2127 WeakPolarHBondContact O-CG2 3.31Å; F2086-V2127 PolarHBondContact O-N 2.86Å; V2088-V2127 HydrophobicContact CG2-CG2 3.98Å; R2115-V2127 CarbonylContact O-C 3.56Å; R2115-V2127 WeakPolarHBondContact O-CA 3.44Å; F2116-V2127 HydrophobicContact CD1-CG2 4.35Å; F2116-V2127 HydrophobicContact CE1-CG2 4.22Å; V2127-I2132 HydrophobicContact CB-CG1 4.49Å; V2127-I2132 HydrophobicContact CG1-CD1 4.17Å; V2127-I2132 HydrophobicContact CG1-CG1 3.81Å; V2127-I2132 HydrophobicContact CG2-CD1 3.97Å; V2127-I2132 HydrophobicContact CG2-CG1 4.12Å
2128G81.6Confident83.6Confident2.4 Ų2.459.6 Ų59.63%0.02531%0.309CS..  trans-77.2-159.5177.700000113.3P2084 G2085 R2115 R2126 A2130P2084-G2128 WeakPolarHBondContact CA-O 3.27Å; P2084-G2128 VanDerWaalsContact CB-O 3.31Å; P2084-G2128 WeakPolarHBondContact CB-O 3.26Å; G2085-G2128 PolarHBondContact N-O 3.47Å; R2115-G2128 PolarHBondContact O-N 3.36Å; R2126-G2128 PolarHBondContact O-N 2.92Å; G2128-A2130 VanDerWaalsContact C-N 3.33Å; G2128-A2130 PolarHBondContact O-N 2.84Å
2129N76.7Confident83.5Confident144.4 Ų144.460.3 Ų60.377%0.77232%0.316SS*.SBendtrans-89.2-2.2-178-74.7-0.8000113.9
2130A73Confident83.5Confident37.2 Ų37.257.4 Ų57.431%0.30730%0.302SS..SBendtrans-89141.6175.300000110.3D2114 R2115 G2128D2114-A2130 WeakPolarHBondContact O-CB 3.32Å; R2115-A2130 VanDerWaalsContact CD-CB 3.47Å; R2115-A2130 HydrophobicContact CG-CB 3.8Å; G2128-A2130 VanDerWaalsContact C-N 3.33Å; G2128-A2130 PolarHBondContact O-N 2.84Å
2131T76.6Confident83.7Confident98.2 Ų98.262.4 Ų62.460%0.60231%0.314SS*.  trans-66.2153.4175.344.20000111.3R2115R2115-T2131 WeakPolarHBondContact CD-O 3.3Å; R2115-T2131 PolarHBondContact NE-O 2.96Å; R2115-T2131 VanDerWaalsContact NH1-N 3.13Å; R2115-T2131 PolarHBondContact NH1-O 2.89Å; R2115-T2131 PolarHBondContact NH1-OG1 3.06Å
2132I83.3Confident83.9Confident5.8 Ų5.858.2 Ų58.23%0.0329%0.288CS..  trans-110.6121.4173.1-58.7-76.6000106.6L2078 E2080 N2081 R2115 F2116 V2127 Y2140 I2164L2078-I2132 HydrophobicContact CD2-CD1 3.76Å; L2078-I2132 HydrophobicContact CD2-CG1 4.18Å; L2078-I2132 HydrophobicContact CD2-CG2 4.35Å; L2078-I2132 HydrophobicContact CG-CD1 4.44Å; E2080-I2132 CarbonylContact C-O 3.5Å; E2080-I2132 HydrophobicContact CB-CG2 4.28Å; E2080-I2132 WeakPolarHBondContact CB-O 3.17Å; N2081-I2132 PolarHBondContact N-O 3.11Å; R2115-I2132 HydrophobicContact CB-CD1 3.83Å; R2115-I2132 HydrophobicContact CG-CD1 4.04Å; F2116-I2132 HydrophobicContact CE1-CD1 4.25Å; F2116-I2132 HydrophobicContact CE2-CD1 4.17Å; F2116-I2132 HydrophobicContact CZ-CD1 3.83Å; F2116-I2132 HydrophobicContact CZ-CG1 4.35Å; V2127-I2132 HydrophobicContact CB-CG1 4.49Å; V2127-I2132 HydrophobicContact CG1-CD1 4.17Å; V2127-I2132 HydrophobicContact CG1-CG1 3.81Å; V2127-I2132 HydrophobicContact CG2-CD1 3.97Å; V2127-I2132 HydrophobicContact CG2-CG1 4.12Å; I2132-Y2140 HydrophobicContact CD1-CE2 4.2Å; I2132-Y2140 HydrophobicContact CG2-CE2 4.37Å; I2132-I2164 HydrophobicContact CD1-CD1 4.39Å; I2132-I2164 HydrophobicContact CG2-CB 4.36Å; I2132-I2164 HydrophobicContact CG2-CD1 3.5Å; I2132-I2164 HydrophobicContact CG2-CG1 3.95Å; I2132-I2164 HydrophobicContact CG2-CG2 3.86Å; I2132-I2164 VanDerWaalsContact CG2-CG2 3.47Å
2133D82.6Confident84.1Confident55 Ų5557.5 Ų57.529%0.29428%0.284SS..  trans-134.8128.4-173.4172.9-18.6000106.8E2135 E2136 Q2137D2133-E2135 VanDerWaalsContact OD1-CA 3.27Å; D2133-E2135 WeakPolarHBondContact OD1-CA 3.31Å; D2133-E2135 VanDerWaalsContact OD1-CB 3.26Å; D2133-E2135 WeakPolarHBondContact OD1-CB 3.21Å; D2133-E2135 PolarHBondContact OD1-N 3.06Å; D2133-E2136 HydrophobicContact CB-CB 4.18Å; D2133-E2136 HydrophobicContact CB-CG 4.03Å; D2133-E2136 WeakPolarHBondContact O-CB 3.47Å; D2133-E2136 PolarHBondContact O-N 2.66Å; D2133-E2136 PolarHBondContact OD1-N 3.01Å; D2133-E2136 VanDerWaalsContact OD1-N 3.14Å; D2133-Q2137 PolarHBondContact O-N 2.92Å; D2133-Q2137 VanDerWaalsContact O-N 3.14Å
2134R85.3Confident84.3Confident52.6 Ų52.657.5 Ų57.520%0.19828%0.284CS..THydrogen-bonded Turntrans-81-27.4-177.6-169.4-153.169.470.9-9.9112.3E2080 E2136 Q2137 E2138 I2164 D2165 D2166 L2201E2080-R2134 HydrophobicContact CB-CB 4.41Å; E2080-R2134 IonicContact OE1-NE 3.92Å; E2080-R2134 VanDerWaalsContact OE2-CB 3.28Å; E2080-R2134 WeakPolarHBondContact OE2-CB 3.31Å; E2080-R2134 PolarHBondContact OE2-N 3.27Å; R2134-E2136 VanDerWaalsContact C-N 3.25Å; R2134-E2136 PolarHBondContact O-N 2.99Å; R2134-Q2137 CarbonylContact O-C 3.53Å; R2134-Q2137 VanDerWaalsContact O-C 3.23Å; R2134-Q2137 PolarHBondContact O-N 2.83Å; R2134-Q2137 VanDerWaalsContact O-N 3.08Å; R2134-E2138 HydrophobicContact CG-CB 4.48Å; R2134-E2138 PolarHBondContact O-N 3.2Å; R2134-I2164 HydrophobicContact CB-CB 4.28Å; R2134-I2164 HydrophobicContact CB-CG2 3.95Å; R2134-I2164 WeakPolarHBondContact CD-O 3.45Å; R2134-I2164 HydrophobicContact CG-CB 4.15Å; R2134-I2164 HydrophobicContact CG-CG2 4.11Å; R2134-D2165 WeakPolarHBondContact CB-O 3.28Å; R2134-D2165 VanDerWaalsContact CG-C 3.43Å; R2134-D2166 VanDerWaalsContact CD-CA 3.47Å; R2134-D2166 IonicContact CZ-OD1 3.03Å; R2134-D2166 IonicContact NE-OD1 3.39Å; R2134-D2166 PolarHBondContact NE-OD1 3.24Å; R2134-D2166 VanDerWaalsContact NH1-CG 3.27Å; R2134-D2166 IonicContact NH1-OD1 2.71Å; R2134-D2166 PolarHBondContact NH1-OD1 3.1Å; R2134-D2166 IonicContact NH1-OD2 3.42Å; R2134-D2166 IonicContact NH2-OD1 3.31Å; R2134-D2166 PolarHBondContact NH2-OD1 2.91Å; R2134-L2201 PolarHBondContact NH2-O 2.91Å
2135E82.7Confident84.3Confident74.8 Ų74.856.7 Ų56.735%0.3528%0.279SS..THydrogen-bonded Turntrans-66.3-24.8172.3-69.835.9-86.300110.7D2133 S2170 L2201D2133-E2135 VanDerWaalsContact OD1-CA 3.27Å; D2133-E2135 WeakPolarHBondContact OD1-CA 3.31Å; D2133-E2135 VanDerWaalsContact OD1-CB 3.26Å; D2133-E2135 WeakPolarHBondContact OD1-CB 3.21Å; D2133-E2135 PolarHBondContact OD1-N 3.06Å; E2135-S2170 WeakPolarHBondContact CG-OG 3.37Å; E2135-S2170 PolarHBondContact OE2-OG 2.8Å; E2135-L2201 HydrophobicContact CG-CB 3.82Å; E2135-L2201 HydrophobicContact CG-CD1 4.36Å
2136E78.9Confident84.3Confident123.6 Ų123.656.8 Ų56.858%0.57828%0.28SS*.THydrogen-bonded Turntrans-84.8-56173.6-145.4-170.9-172.500113.7R2115 D2133 R2134R2115-E2136 IonicContact CZ-OE1 2.79Å; R2115-E2136 IonicContact CZ-OE2 3.35Å; R2115-E2136 IonicContact NH1-OE1 2.7Å; R2115-E2136 IonicContact NH1-OE2 3.2Å; R2115-E2136 PolarHBondContact NH1-OE2 3.15Å; R2115-E2136 IonicContact NH2-OE1 2.67Å; R2115-E2136 PolarHBondContact NH2-OE1 2.77Å; R2115-E2136 IonicContact NH2-OE2 3.1Å; R2115-E2136 PolarHBondContact NH2-OE2 2.83Å; D2133-E2136 HydrophobicContact CB-CB 4.18Å; D2133-E2136 HydrophobicContact CB-CG 4.03Å; D2133-E2136 WeakPolarHBondContact O-CB 3.47Å; D2133-E2136 PolarHBondContact O-N 2.66Å; D2133-E2136 PolarHBondContact OD1-N 3.01Å; D2133-E2136 VanDerWaalsContact OD1-N 3.14Å; R2134-E2136 VanDerWaalsContact C-N 3.25Å; R2134-E2136 PolarHBondContact O-N 2.99Å
2137Q80.4Confident84.2Confident76.8 Ų76.852.9 Ų52.936%0.35927%0.269SS..  trans-156.6126.5-174.4-173156.8-28.200115.8D2133 R2134 S2139 Y2140 I2164D2133-Q2137 PolarHBondContact O-N 2.92Å; D2133-Q2137 VanDerWaalsContact O-N 3.14Å; R2134-Q2137 CarbonylContact O-C 3.53Å; R2134-Q2137 VanDerWaalsContact O-C 3.23Å; R2134-Q2137 PolarHBondContact O-N 2.83Å; R2134-Q2137 VanDerWaalsContact O-N 3.08Å; Q2137-S2139 VanDerWaalsContact C-N 3.3Å; Q2137-S2139 WeakPolarHBondContact CG-O 3.43Å; Q2137-S2139 PolarHBondContact NE2-O 2.96Å; Q2137-S2139 PolarHBondContact O-N 3.06Å; Q2137-Y2140 HydrophobicContact CB-CE1 4.26Å; Q2137-Y2140 HydrophobicContact CB-CE2 4.47Å; Q2137-Y2140 HydrophobicContact CG-CD1 4.38Å; Q2137-Y2140 HydrophobicContact CG-CE1 4.19Å; Q2137-Y2140 HydrophobicContact CG-CE2 4.34Å; Q2137-Y2140 PolarHBondContact O-OH 2.78Å; Q2137-I2164 WeakPolarHBondContact O-CB 3.27Å; Q2137-I2164 VanDerWaalsContact O-CG1 3.3Å; Q2137-I2164 WeakPolarHBondContact O-CG1 3.09Å
2138E83.2Confident84.2Confident133.8 Ų133.852.9 Ų52.963%0.62527%0.269SS*.SBendtrans-78.1-29.3-177.660.4161.3-154.100117.7R2134 L2163 I2164R2134-E2138 HydrophobicContact CG-CB 4.48Å; R2134-E2138 PolarHBondContact O-N 3.2Å; E2138-L2163 HydrophobicContact CB-CD2 4.01Å; E2138-L2163 WeakPolarHBondContact O-CA 3.29Å; E2138-I2164 WeakPolarHBondContact O-CG1 3.35Å; E2138-I2164 PolarHBondContact O-N 3.01Å; E2138-I2164 VanDerWaalsContact O-N 3.09Å
2139S86.9Confident84.1Confident42.6 Ų42.658.5 Ų58.530%0.29829%0.289SS..EExtended strand (participates in β ladder)trans-152.3156.9-172.766.80000116.4Q2137 I2162Q2137-S2139 VanDerWaalsContact C-N 3.3Å; Q2137-S2139 WeakPolarHBondContact CG-O 3.43Å; Q2137-S2139 PolarHBondContact NE2-O 2.96Å; Q2137-S2139 PolarHBondContact O-N 3.06Å; S2139-I2162 CarbonylContact C-O 3.5Å; S2139-I2162 VanDerWaalsContact CA-O 3.23Å; S2139-I2162 WeakPolarHBondContact CA-O 3.28Å; S2139-I2162 VanDerWaalsContact CB-O 3.23Å; S2139-I2162 WeakPolarHBondContact CB-O 3.33Å
2140Y88.1Confident84Confident12.2 Ų12.252 Ų525%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-136.2152.4-178.6-56.1-85.5000113.2A2112 Q2113 R2115 F2116 I2132 Q2137 T2161 I2162 I2164A2112-Y2140 HydrophobicContact CB-CD1 3.74Å; A2112-Y2140 HydrophobicContact CB-CE1 4.21Å; A2112-Y2140 HydrophobicContact CB-CG 4.17Å; Q2113-Y2140 HydrophobicContact CB-CD1 4.42Å; Q2113-Y2140 HydrophobicContact CB-CE1 4.41Å; Q2113-Y2140 VanDerWaalsContact OE1-CE1 3.32Å; R2115-Y2140 HydrophobicContact CB-CE1 4.07Å; R2115-Y2140 VanDerWaalsContact CD-CE1 3.48Å; R2115-Y2140 VanDerWaalsContact CD-CZ 3.47Å; R2115-Y2140 VanDerWaalsContact CD-OH 3.25Å; R2115-Y2140 WeakPolarHBondContact CD-OH 3.19Å; R2115-Y2140 HydrophobicContact CG-CE1 4.01Å; R2115-Y2140 VanDerWaalsContact NE-CZ 3.34Å; R2115-Y2140 PolarHBondContact NE-OH 2.8Å; R2115-Y2140 PolarHBondContact NH1-OH 2.89Å; R2115-Y2140 PolarHBondContact NH2-OH 2.91Å; F2116-Y2140 HydrophobicContact CD2-CD1 4.36Å; F2116-Y2140 HydrophobicContact CD2-CG 4.34Å; F2116-Y2140 AromaticContact CE2-CD1 3.85Å; F2116-Y2140 HydrophobicContact CE2-CD1 3.94Å; F2116-Y2140 AromaticContact CE2-CD2 3.57Å; F2116-Y2140 HydrophobicContact CE2-CD2 3.74Å; F2116-Y2140 HydrophobicContact CE2-CE1 4.32Å; F2116-Y2140 HydrophobicContact CE2-CE2 4.13Å; F2116-Y2140 AromaticContact CE2-CG 3.48Å; F2116-Y2140 HydrophobicContact CE2-CG 3.61Å; F2116-Y2140 VanDerWaalsContact CE2-CG 3.46Å; F2116-Y2140 AromaticContact CZ-CD2 3.82Å; F2116-Y2140 HydrophobicContact CZ-CD2 3.89Å; F2116-Y2140 HydrophobicContact CZ-CE2 4.29Å; F2116-Y2140 HydrophobicContact CZ-CG 4.24Å; I2132-Y2140 HydrophobicContact CD1-CE2 4.2Å; I2132-Y2140 HydrophobicContact CG2-CE2 4.37Å; Q2137-Y2140 HydrophobicContact CB-CE1 4.26Å; Q2137-Y2140 HydrophobicContact CB-CE2 4.47Å; Q2137-Y2140 HydrophobicContact CG-CD1 4.38Å; Q2137-Y2140 HydrophobicContact CG-CE1 4.19Å; Q2137-Y2140 HydrophobicContact CG-CE2 4.34Å; Q2137-Y2140 PolarHBondContact O-OH 2.78Å; Y2140-T2161 CarbonylContact O-C 3.52Å; Y2140-T2161 VanDerWaalsContact O-CA 3.26Å; Y2140-T2161 WeakPolarHBondContact O-CA 3.25Å; Y2140-T2161 WeakPolarHBondContact O-CG2 3.22Å; Y2140-I2162 HydrophobicContact CD2-CB 4.34Å; Y2140-I2162 HydrophobicContact CD2-CD1 4.44Å; Y2140-I2162 PolarHBondContact N-O 3.1Å; Y2140-I2162 PolarHBondContact O-N 3.06Å; Y2140-I2162 VanDerWaalsContact O-N 3.14Å; Y2140-I2164 HydrophobicContact CD2-CD1 4.09Å; Y2140-I2164 HydrophobicContact CD2-CG1 4.09Å; Y2140-I2164 HydrophobicContact CE2-CD1 3.96Å; Y2140-I2164 HydrophobicContact CE2-CG1 3.85Å
2141R88.9Confident83.9Confident164.6 Ų164.656.5 Ų56.562%0.62128%0.28SS*.EExtended strand (participates in β ladder)trans-141.1120.3-179-175.2177.4179.2-134.4-2112.5G2111 I2159 V2160G2111-R2141 CarbonylContact C-O 3.59Å; G2111-R2141 VanDerWaalsContact CA-O 3.27Å; G2111-R2141 WeakPolarHBondContact CA-O 3.45Å; R2141-I2159 HydrophobicContact CG-CG2 3.67Å; R2141-I2159 VanDerWaalsContact NH2-CD1 3.3Å; R2141-V2160 CarbonylContact C-O 3.53Å; R2141-V2160 VanDerWaalsContact CA-O 3.25Å; R2141-V2160 WeakPolarHBondContact CA-O 3.37Å; R2141-V2160 WeakPolarHBondContact CG-O 3.21Å
2142L89Confident83.9Confident2.2 Ų2.257.1 Ų57.11%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-113.1150.5-172.5-43.5175.6000114I2108 A2110 G2111 A2112 F2116 I2125 V2144 I2159 V2160 I2162I2108-L2142 HydrophobicContact CD1-CD1 4.22Å; I2108-L2142 HydrophobicContact CG2-CB 4.43Å; I2108-L2142 HydrophobicContact CG2-CD2 4.19Å; A2110-L2142 CarbonylContact O-C 3.53Å; A2110-L2142 WeakPolarHBondContact O-CA 3.38Å; G2111-L2142 WeakPolarHBondContact O-CD2 3.4Å; A2112-L2142 HydrophobicContact CB-CD2 4.12Å; F2116-L2142 HydrophobicContact CB-CD1 4.02Å; F2116-L2142 HydrophobicContact CB-CD2 4.21Å; F2116-L2142 HydrophobicContact CD2-CD1 4.26Å; F2116-L2142 HydrophobicContact CD2-CD2 4.1Å; F2116-L2142 HydrophobicContact CG-CD1 4Å; F2116-L2142 HydrophobicContact CG-CD2 4.38Å; I2125-L2142 HydrophobicContact CD1-CD1 4.18Å; I2125-L2142 HydrophobicContact CG2-CD1 3.96Å; L2142-V2144 HydrophobicContact CB-CG2 4.31Å; L2142-I2159 CarbonylContact O-C 3.51Å; L2142-I2159 VanDerWaalsContact O-CA 3.3Å; L2142-I2159 WeakPolarHBondContact O-CA 3.27Å; L2142-I2159 WeakPolarHBondContact O-CG2 3.37Å; L2142-V2160 HydrophobicContact CB-CB 4.16Å; L2142-V2160 HydrophobicContact CB-CG2 4.14Å; L2142-V2160 HydrophobicContact CD1-CB 4.29Å; L2142-V2160 HydrophobicContact CD1-CG1 4.33Å; L2142-V2160 HydrophobicContact CD1-CG2 4.31Å; L2142-V2160 HydrophobicContact CG-CB 4.29Å; L2142-V2160 PolarHBondContact N-O 2.87Å; L2142-V2160 PolarHBondContact O-N 3Å; L2142-I2162 HydrophobicContact CD1-CD1 3.8Å; L2142-I2162 HydrophobicContact CD1-CG1 4.46Å; L2142-I2162 HydrophobicContact CG-CD1 4.26Å
2143T88.3Confident83.7Confident37.4 Ų37.460.5 Ų60.523%0.22931%0.306CS..EExtended strand (participates in β ladder)trans-120.7133.2171.2-53.50000110.8I2108 E2109 A2110 A2158 I2159I2108-T2143 CarbonylContact C-O 3.55Å; I2108-T2143 VanDerWaalsContact CA-O 3.23Å; I2108-T2143 WeakPolarHBondContact CA-O 3.33Å; I2108-T2143 WeakPolarHBondContact CG1-O 3.14Å; I2108-T2143 WeakPolarHBondContact CG2-O 3.38Å; E2109-T2143 HydrophobicContact CB-CG2 4.32Å; E2109-T2143 PolarHBondContact N-O 2.85Å; A2110-T2143 PolarHBondContact O-N 2.9Å; T2143-A2158 CarbonylContact C-O 3.57Å; T2143-A2158 VanDerWaalsContact CA-O 3.31Å; T2143-A2158 WeakPolarHBondContact CA-O 3.33Å; T2143-A2158 WeakPolarHBondContact CG2-O 3.15Å; T2143-I2159 HydrophobicContact CG2-CG1 4.34Å
2144V90Very high83.8Confident0.4 Ų0.459.7 Ų59.70%0.00230%0.301CS..EExtended strand (participates in β ladder)trans-124.3145.4-172.4-173.50000112.6F2069 V2091 Y2106 R2107 I2108 I2118 I2125 L2142 T2157 A2158 V2160F2069-V2144 HydrophobicContact CE1-CG1 4.41Å; F2069-V2144 HydrophobicContact CZ-CG1 4.11Å; V2091-V2144 HydrophobicContact CG2-CG1 4.04Å; Y2106-V2144 HydrophobicContact CD1-CG1 4.47Å; R2107-V2144 CarbonylContact O-C 3.5Å; R2107-V2144 VanDerWaalsContact O-CA 3.29Å; R2107-V2144 WeakPolarHBondContact O-CA 3.38Å; R2107-V2144 WeakPolarHBondContact O-CG1 3.34Å; I2108-V2144 HydrophobicContact CG1-CG2 4.23Å; I2118-V2144 HydrophobicContact CD1-CG1 3.56Å; I2118-V2144 VanDerWaalsContact CD1-CG1 3.46Å; I2118-V2144 HydrophobicContact CD1-CG2 4.19Å; I2125-V2144 HydrophobicContact CD1-CG2 4.15Å; L2142-V2144 HydrophobicContact CB-CG2 4.31Å; V2144-T2157 CarbonylContact O-C 3.54Å; V2144-T2157 VanDerWaalsContact O-CA 3.22Å; V2144-T2157 WeakPolarHBondContact O-CA 3.29Å; V2144-T2157 WeakPolarHBondContact O-CB 3.27Å; V2144-A2158 HydrophobicContact CB-CB 4.41Å; V2144-A2158 PolarHBondContact N-O 3Å; V2144-A2158 PolarHBondContact O-N 3.07Å; V2144-V2160 HydrophobicContact CG2-CG2 3.86Å
2145V90.1Very high83.8Confident4.2 Ų4.260.5 Ų60.53%0.02532%0.315CS..EExtended strand (participates in β ladder)trans-132.4147.7-177.9-174.50000111.3Y2106 R2107 E2109 G2156 T2157Y2106-V2145 CarbonylContact C-O 3.5Å; Y2106-V2145 VanDerWaalsContact CA-O 3.23Å; Y2106-V2145 WeakPolarHBondContact CA-O 3.31Å; R2107-V2145 HydrophobicContact CG-CB 3.95Å; R2107-V2145 HydrophobicContact CG-CG1 4.29Å; R2107-V2145 HydrophobicContact CG-CG2 4.41Å; R2107-V2145 PolarHBondContact N-O 2.91Å; R2107-V2145 PolarHBondContact O-N 3.11Å; E2109-V2145 HydrophobicContact CB-CG2 3.82Å; E2109-V2145 HydrophobicContact CG-CG2 4.39Å; V2145-G2156 CarbonylContact C-O 3.49Å; V2145-G2156 VanDerWaalsContact CA-O 3.29Å; V2145-G2156 WeakPolarHBondContact CA-O 3.26Å; V2145-G2156 WeakPolarHBondContact CG1-O 3.18Å; V2145-T2157 HydrophobicContact CB-CG2 4.41Å; V2145-T2157 HydrophobicContact CG1-CG2 4.35Å; V2145-T2157 HydrophobicContact CG2-CG2 3.94Å
2146A88.6Confident84Confident2.2 Ų2.257.8 Ų57.82%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-125.4141.3167.900000111.3P2067 F2069 A2093 L2104 V2105 Y2106 S2155 G2156P2067-A2146 HydrophobicContact CB-CB 4.25Å; F2069-A2146 HydrophobicContact CD2-CB 4.25Å; F2069-A2146 HydrophobicContact CE1-CB 4.41Å; F2069-A2146 HydrophobicContact CE2-CB 3.49Å; F2069-A2146 VanDerWaalsContact CE2-CB 3.44Å; F2069-A2146 HydrophobicContact CZ-CB 3.55Å; F2069-A2146 VanDerWaalsContact CZ-CB 3.44Å; A2093-A2146 HydrophobicContact CB-CB 3.95Å; L2104-A2146 HydrophobicContact CB-CB 4.32Å; L2104-A2146 HydrophobicContact CD1-CB 4.2Å; L2104-A2146 HydrophobicContact CD2-CB 4.45Å; V2105-A2146 CarbonylContact O-C 3.6Å; V2105-A2146 WeakPolarHBondContact O-CA 3.36Å; V2105-A2146 WeakPolarHBondContact O-CB 3.33Å; Y2106-A2146 HydrophobicContact CD1-CB 3.89Å; Y2106-A2146 HydrophobicContact CE1-CB 4.02Å; Y2106-A2146 HydrophobicContact CG-CB 4.45Å; A2146-S2155 CarbonylContact O-C 3.52Å; A2146-S2155 VanDerWaalsContact O-CA 3.26Å; A2146-S2155 WeakPolarHBondContact O-CA 3.32Å; A2146-S2155 VanDerWaalsContact O-CB 3.25Å; A2146-S2155 WeakPolarHBondContact O-CB 3.34Å; A2146-G2156 PolarHBondContact N-O 2.92Å; A2146-G2156 PolarHBondContact O-N 3Å
2147T88.2Confident84.4Confident33.6 Ų33.656.2 Ų56.221%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-141.3140.8-175.2-53.60000111L2104 V2105 P2153 L2154 S2155L2104-T2147 CarbonylContact C-O 3.51Å; L2104-T2147 VanDerWaalsContact CA-O 3.31Å; L2104-T2147 WeakPolarHBondContact CA-O 3.41Å; V2105-T2147 WeakPolarHBondContact CA-O 3.45Å; V2105-T2147 VanDerWaalsContact CB-O 3.26Å; V2105-T2147 WeakPolarHBondContact CB-O 3.46Å; V2105-T2147 PolarHBondContact N-O 3.06Å; V2105-T2147 PolarHBondContact O-N 3.03Å; T2147-P2153 HydrophobicContact CG2-CB 4.03Å; T2147-L2154 CarbonylContact C-O 3.45Å; T2147-L2154 VanDerWaalsContact CA-O 3.29Å; T2147-L2154 WeakPolarHBondContact CA-O 3.36Å; T2147-L2154 VanDerWaalsContact CG2-O 3.27Å; T2147-L2154 WeakPolarHBondContact CG2-O 3.38Å; T2147-S2155 WeakPolarHBondContact CB-OG 3.37Å; T2147-S2155 VanDerWaalsContact CG2-OG 3.27Å; T2147-S2155 WeakPolarHBondContact CG2-OG 3.43Å; T2147-S2155 WeakPolarHBondContact OG1-CB 3.28Å; T2147-S2155 PolarHBondContact OG1-OG 2.86Å
2148D85.9Confident84.7Confident7.6 Ų7.652.8 Ų52.84%0.04129%0.291CS..  trans-79.5-177.3171.265.171.8000113.6N2063 P2067 N2101 E2103 L2104 G2150 P2153 L2154N2063-D2148 PolarHBondContact ND2-OD1 2.87Å; N2063-D2148 VanDerWaalsContact ND2-OD1 3.15Å; N2063-D2148 PolarHBondContact ND2-OD2 2.77Å; P2067-D2148 WeakPolarHBondContact CD-OD2 3.33Å; P2067-D2148 HydrophobicContact CG-CB 4.07Å; P2067-D2148 VanDerWaalsContact CG-OD2 3.32Å; P2067-D2148 WeakPolarHBondContact CG-OD2 3.37Å; N2101-D2148 WeakPolarHBondContact O-CB 3.44Å; E2103-D2148 CarbonylContact O-C 3.56Å; E2103-D2148 VanDerWaalsContact O-CA 3.31Å; E2103-D2148 WeakPolarHBondContact O-CA 3.26Å; L2104-D2148 HydrophobicContact CD2-CB 3.99Å; D2148-G2150 WeakPolarHBondContact OD1-CA 3.33Å; D2148-G2150 PolarHBondContact OD1-N 3Å; D2148-P2153 WeakPolarHBondContact O-CB 3.45Å; D2148-P2153 VanDerWaalsContact OD1-CA 3.27Å; D2148-P2153 WeakPolarHBondContact OD1-CA 3.33Å; D2148-P2153 WeakPolarHBondContact OD1-CB 3.33Å; D2148-L2154 VanDerWaalsContact CG-N 3.33Å; D2148-L2154 PolarHBondContact N-O 3.02Å; D2148-L2154 VanDerWaalsContact N-O 3.14Å; D2148-L2154 PolarHBondContact OD1-N 2.9Å; D2148-L2154 VanDerWaalsContact OD1-N 3.15Å; D2148-L2154 VanDerWaalsContact OD2-C 3.3Å; D2148-L2154 VanDerWaalsContact OD2-CA 3.27Å; D2148-L2154 WeakPolarHBondContact OD2-CA 3.34Å; D2148-L2154 WeakPolarHBondContact OD2-CB 3.32Å; D2148-L2154 PolarHBondContact OD2-N 2.91Å; D2148-L2154 VanDerWaalsContact OD2-O 3.12Å
2149R79.9Confident85Confident118.4 Ų118.449.2 Ų49.245%0.44728%0.275SS..  trans-119.918.9-177.2-71.2-178.5153.9178.35.1114.4L2100 E2103 V2105L2100-R2149 HydrophobicContact CB-CB 4.12Å; L2100-R2149 HydrophobicContact CD2-CB 4.25Å; L2100-R2149 CarbonylContact O-C 3.52Å; L2100-R2149 VanDerWaalsContact O-C 3.27Å; L2100-R2149 VanDerWaalsContact O-CA 3.25Å; L2100-R2149 WeakPolarHBondContact O-CA 3.34Å; L2100-R2149 VanDerWaalsContact O-CB 3.25Å; L2100-R2149 WeakPolarHBondContact O-CB 3.4Å; L2100-R2149 PolarHBondContact O-N 3.19Å; E2103-R2149 HydrophobicContact CB-CB 4.35Å; E2103-R2149 VanDerWaalsContact CD-CD 3.45Å; E2103-R2149 VanDerWaalsContact CD-CZ 3.44Å; E2103-R2149 WeakPolarHBondContact O-CB 3.45Å; E2103-R2149 WeakPolarHBondContact O-CG 3.14Å; E2103-R2149 PolarHBondContact O-N 2.98Å; E2103-R2149 IonicContact OE1-CZ 3.18Å; E2103-R2149 IonicContact OE1-NE 2.89Å; E2103-R2149 IonicContact OE1-NH1 3.66Å; E2103-R2149 PolarHBondContact OE1-NH1 2.83Å; E2103-R2149 IonicContact OE1-NH2 3.9Å; E2103-R2149 PolarHBondContact OE1-NH2 3.06Å; E2103-R2149 WeakPolarHBondContact OE2-CD 3.32Å; E2103-R2149 IonicContact OE2-CZ 3.43Å; E2103-R2149 IonicContact OE2-NE 3.34Å; E2103-R2149 IonicContact OE2-NH1 3.28Å; E2103-R2149 PolarHBondContact OE2-NH1 2.91Å; E2103-R2149 VanDerWaalsContact OE2-NH1 3.12Å; V2105-R2149 HydrophobicContact CG2-CG 3.78Å; V2105-R2149 VanDerWaalsContact CG2-NE 3.33Å
2150G74.1Confident85.1Confident9.2 Ų9.247.2 Ų47.210%0.09526%0.262CS..SBendtrans-62166.7175.100000113.3N2063 L2100 N2101 D2148 V2152 P2153N2063-G2150 WeakPolarHBondContact OD1-CA 3.24Å; L2100-G2150 PolarHBondContact O-N 3.07Å; N2101-G2150 WeakPolarHBondContact OD1-CA 3.31Å; D2148-G2150 WeakPolarHBondContact OD1-CA 3.33Å; D2148-G2150 PolarHBondContact OD1-N 3Å; G2150-V2152 VanDerWaalsContact C-N 3.27Å; G2150-V2152 CarbonylContact O-C 3.55Å; G2150-V2152 PolarHBondContact O-N 2.93Å; G2150-V2152 VanDerWaalsContact O-N 3.11Å; G2150-P2153 WeakPolarHBondContact O-CA 3.27Å; G2150-P2153 WeakPolarHBondContact O-CD 3.21Å; G2150-P2153 VanDerWaalsContact O-N 3.12Å
2151T71.4Confident85.1Confident131.4 Ų131.448.7 Ų48.781%0.80627%0.272SS*.SBendtrans-72.6-6.3175.652.30000112N2063N2063-T2151 PolarHBondContact ND2-N 2.89Å; N2063-T2151 PolarHBondContact ND2-OG1 2.81Å; N2063-T2151 VanDerWaalsContact ND2-OG1 3.12Å
2152V75.8Confident85.2Confident110.8 Ų110.841 Ų4167%0.67224%0.243SC*.SBendtrans-123.1107.1157.2-161.50000109.9N2063 G2150 L2154N2063-V2152 PolarHBondContact ND2-O 3.36Å; G2150-V2152 VanDerWaalsContact C-N 3.27Å; G2150-V2152 CarbonylContact O-C 3.55Å; G2150-V2152 PolarHBondContact O-N 2.93Å; G2150-V2152 VanDerWaalsContact O-N 3.11Å; V2152-L2154 PolarHBondContact O-N 3.45Å
2153P80.2Confident85Confident76.6 Ų76.644 Ų4450%0.49726%0.259SS..  trans-87150.1-168.632.5-35.9000115.3T2147 D2148 G2150T2147-P2153 HydrophobicContact CG2-CB 4.03Å; D2148-P2153 WeakPolarHBondContact O-CB 3.45Å; D2148-P2153 VanDerWaalsContact OD1-CA 3.27Å; D2148-P2153 WeakPolarHBondContact OD1-CA 3.33Å; D2148-P2153 WeakPolarHBondContact OD1-CB 3.33Å; G2150-P2153 WeakPolarHBondContact O-CA 3.27Å; G2150-P2153 WeakPolarHBondContact O-CD 3.21Å; G2150-P2153 VanDerWaalsContact O-N 3.12Å
2154L83.1Confident85Confident38.2 Ų38.243 Ų4320%0.225%0.252CS..  trans-122.8161-171.3-47.1165.3000111.5N2063 N2065 W2066 P2067 T2147 D2148 V2152N2063-L2154 WeakPolarHBondContact O-CD1 3.34Å; N2065-L2154 VanDerWaalsContact O-CD1 3.25Å; N2065-L2154 WeakPolarHBondContact O-CD1 3.36Å; W2066-L2154 HydrophobicContact CB-CD1 4.37Å; W2066-L2154 HydrophobicContact CD2-CB 4.21Å; W2066-L2154 HydrophobicContact CD2-CD1 3.61Å; W2066-L2154 VanDerWaalsContact CD2-CD1 3.5Å; W2066-L2154 HydrophobicContact CD2-CD2 4.41Å; W2066-L2154 HydrophobicContact CD2-CG 4.36Å; W2066-L2154 HydrophobicContact CE3-CB 4.02Å; W2066-L2154 HydrophobicContact CE3-CD1 4.18Å; W2066-L2154 HydrophobicContact CG-CB 4.48Å; W2066-L2154 HydrophobicContact CG-CD1 3.72Å; W2066-L2154 HydrophobicContact CH2-CB 4.3Å; W2066-L2154 HydrophobicContact CH2-CD1 4.4Å; W2066-L2154 HydrophobicContact CH2-CD2 4.28Å; W2066-L2154 HydrophobicContact CZ2-CB 4.47Å; W2066-L2154 HydrophobicContact CZ2-CD1 3.9Å; W2066-L2154 HydrophobicContact CZ2-CD2 4.14Å; W2066-L2154 HydrophobicContact CZ2-CG 4.33Å; W2066-L2154 HydrophobicContact CZ3-CB 4Å; W2066-L2154 HydrophobicContact CZ3-CD1 4.26Å; W2066-L2154 HydrophobicContact CZ3-CD2 4.49Å; W2066-L2154 VanDerWaalsContact NE1-CD1 3.32Å; P2067-L2154 HydrophobicContact CG-CB 4.49Å; T2147-L2154 CarbonylContact C-O 3.45Å; T2147-L2154 VanDerWaalsContact CA-O 3.29Å; T2147-L2154 WeakPolarHBondContact CA-O 3.36Å; T2147-L2154 VanDerWaalsContact CG2-O 3.27Å; T2147-L2154 WeakPolarHBondContact CG2-O 3.38Å; D2148-L2154 VanDerWaalsContact CG-N 3.33Å; D2148-L2154 PolarHBondContact N-O 3.02Å; D2148-L2154 VanDerWaalsContact N-O 3.14Å; D2148-L2154 PolarHBondContact OD1-N 2.9Å; D2148-L2154 VanDerWaalsContact OD1-N 3.15Å; D2148-L2154 VanDerWaalsContact OD2-C 3.3Å; D2148-L2154 VanDerWaalsContact OD2-CA 3.27Å; D2148-L2154 WeakPolarHBondContact OD2-CA 3.34Å; D2148-L2154 WeakPolarHBondContact OD2-CB 3.32Å; D2148-L2154 PolarHBondContact OD2-N 2.91Å; D2148-L2154 VanDerWaalsContact OD2-O 3.12Å; V2152-L2154 PolarHBondContact O-N 3.45Å
2155S86.3Confident84.5Confident69.8 Ų69.846.6 Ų46.649%0.48827%0.271SS..EExtended strand (participates in β ladder)trans-156.9156.7-167.420.40000119.1A2146 T2147A2146-S2155 CarbonylContact O-C 3.52Å; A2146-S2155 VanDerWaalsContact O-CA 3.26Å; A2146-S2155 WeakPolarHBondContact O-CA 3.32Å; A2146-S2155 VanDerWaalsContact O-CB 3.25Å; A2146-S2155 WeakPolarHBondContact O-CB 3.34Å; T2147-S2155 WeakPolarHBondContact CB-OG 3.37Å; T2147-S2155 VanDerWaalsContact CG2-OG 3.27Å; T2147-S2155 WeakPolarHBondContact CG2-OG 3.43Å; T2147-S2155 WeakPolarHBondContact OG1-CB 3.28Å; T2147-S2155 PolarHBondContact OG1-OG 2.86Å
2156G85.7Confident83.9Confident18.8 Ų18.849.4 Ų49.419%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-139.1168.9174.500000116.3P2067 F2069 V2145 A2146P2067-G2156 WeakPolarHBondContact O-CA 3.21Å; P2067-G2156 PolarHBondContact O-N 3.32Å; F2069-G2156 WeakPolarHBondContact CE2-O 3.37Å; V2145-G2156 CarbonylContact C-O 3.49Å; V2145-G2156 VanDerWaalsContact CA-O 3.29Å; V2145-G2156 WeakPolarHBondContact CA-O 3.26Å; V2145-G2156 WeakPolarHBondContact CG1-O 3.18Å; A2146-G2156 PolarHBondContact N-O 2.92Å; A2146-G2156 PolarHBondContact O-N 3Å
2157T88.9Confident83.1Confident89.2 Ų89.252.5 Ų52.555%0.54730%0.302SS..EExtended strand (participates in β ladder)trans-1390-17067.20000118.7F2069 V2144 V2145F2069-T2157 VanDerWaalsContact CD2-N 3.34Å; V2144-T2157 CarbonylContact O-C 3.54Å; V2144-T2157 VanDerWaalsContact O-CA 3.22Å; V2144-T2157 WeakPolarHBondContact O-CA 3.29Å; V2144-T2157 WeakPolarHBondContact O-CB 3.27Å; V2145-T2157 HydrophobicContact CB-CG2 4.41Å; V2145-T2157 HydrophobicContact CG1-CG2 4.35Å; V2145-T2157 HydrophobicContact CG2-CG2 3.94Å
2158A86.9Confident82.2Confident4.8 Ų4.853.5 Ų53.54%0.0431%0.306CS..EExtended strand (participates in β ladder)00000000116.4F2069 P2072 Y2074 T2143 V2144F2069-A2158 HydrophobicContact CB-CB 3.74Å; F2069-A2158 HydrophobicContact CD1-CB 3.73Å; F2069-A2158 HydrophobicContact CD2-CB 3.65Å; F2069-A2158 HydrophobicContact CE1-CB 4.18Å; F2069-A2158 HydrophobicContact CE2-CB 4.1Å; F2069-A2158 HydrophobicContact CG-CB 3.44Å; F2069-A2158 VanDerWaalsContact CG-CB 3.44Å; F2069-A2158 HydrophobicContact CZ-CB 4.34Å; P2072-A2158 CarbonylContact O-C 3.36Å; P2072-A2158 VanDerWaalsContact O-CA 3.23Å; P2072-A2158 WeakPolarHBondContact O-CA 3.2Å; P2072-A2158 WeakPolarHBondContact O-CB 3.32Å; Y2074-A2158 HydrophobicContact CD2-CB 4.36Å; Y2074-A2158 HydrophobicContact CE2-CB 4.08Å; T2143-A2158 CarbonylContact C-O 3.57Å; T2143-A2158 VanDerWaalsContact CA-O 3.31Å; T2143-A2158 WeakPolarHBondContact CA-O 3.33Å; T2143-A2158 WeakPolarHBondContact CG2-O 3.15Å; V2144-A2158 HydrophobicContact CB-CB 4.41Å; V2144-A2158 PolarHBondContact N-O 3Å; V2144-A2158 PolarHBondContact O-N 3.07Å
2159I89Confident81.7Confident58 Ų5856.7 Ų56.730%0.29732%0.323SS..EExtended strand (participates in β ladder)000-60.4168.9000115.2P2072 T2073 Y2074 R2141 L2142 T2143P2072-I2159 PolarHBondContact O-N 2.87Å; T2073-I2159 CarbonylContact C-O 3.5Å; T2073-I2159 VanDerWaalsContact CA-O 3.31Å; T2073-I2159 WeakPolarHBondContact CA-O 3.33Å; T2073-I2159 HydrophobicContact CG2-CB 4.35Å; Y2074-I2159 WeakPolarHBondContact CD2-O 3.34Å; Y2074-I2159 PolarHBondContact N-O 3.27Å; Y2074-I2159 VanDerWaalsContact N-O 3.08Å; R2141-I2159 HydrophobicContact CG-CG2 3.67Å; R2141-I2159 VanDerWaalsContact NH2-CD1 3.3Å; L2142-I2159 CarbonylContact O-C 3.51Å; L2142-I2159 VanDerWaalsContact O-CA 3.3Å; L2142-I2159 WeakPolarHBondContact O-CA 3.27Å; L2142-I2159 WeakPolarHBondContact O-CG2 3.37Å; T2143-I2159 HydrophobicContact CG2-CG1 4.34Å
2160V88.8Confident81.4Confident1.4 Ų1.452.4 Ų52.41%0.00831%0.311CS..EExtended strand (participates in β ladder)000-170.60000114.6Y2074 V2076 L2089 V2091 I2125 R2141 L2142 V2144 I2162Y2074-V2160 HydrophobicContact CD2-CG2 4.12Å; Y2074-V2160 HydrophobicContact CG-CG2 4.45Å; Y2074-V2160 CarbonylContact O-C 3.52Å; Y2074-V2160 WeakPolarHBondContact O-CA 3.24Å; V2076-V2160 HydrophobicContact CG1-CG1 4.42Å; L2089-V2160 HydrophobicContact CD2-CB 4.32Å; L2089-V2160 HydrophobicContact CD2-CG1 3.65Å; L2089-V2160 VanDerWaalsContact CD2-CG1 3.5Å; L2089-V2160 HydrophobicContact CD2-CG2 3.99Å; V2091-V2160 HydrophobicContact CG1-CG2 3.67Å; I2125-V2160 HydrophobicContact CD1-CB 4.37Å; I2125-V2160 HydrophobicContact CD1-CG1 4.31Å; I2125-V2160 HydrophobicContact CD1-CG2 3.89Å; R2141-V2160 CarbonylContact C-O 3.53Å; R2141-V2160 VanDerWaalsContact CA-O 3.25Å; R2141-V2160 WeakPolarHBondContact CA-O 3.37Å; R2141-V2160 WeakPolarHBondContact CG-O 3.21Å; L2142-V2160 HydrophobicContact CB-CB 4.16Å; L2142-V2160 HydrophobicContact CB-CG2 4.14Å; L2142-V2160 HydrophobicContact CD1-CB 4.29Å; L2142-V2160 HydrophobicContact CD1-CG1 4.33Å; L2142-V2160 HydrophobicContact CD1-CG2 4.31Å; L2142-V2160 HydrophobicContact CG-CB 4.29Å; L2142-V2160 PolarHBondContact N-O 2.87Å; L2142-V2160 PolarHBondContact O-N 3Å; V2144-V2160 HydrophobicContact CG2-CG2 3.86Å; V2160-I2162 HydrophobicContact CG1-CG1 4.18Å
2161T88.8Confident81.5Confident43.2 Ų43.257.5 Ų57.527%0.26533%0.327SS..EExtended strand (participates in β ladder)000-58.30000114.3Y2074 T2075 V2076 Y2140 L2163Y2074-T2161 PolarHBondContact O-N 3Å; Y2074-T2161 VanDerWaalsContact O-N 3.09Å; T2075-T2161 CarbonylContact C-O 3.49Å; T2075-T2161 VanDerWaalsContact CA-O 3.31Å; T2075-T2161 WeakPolarHBondContact CA-O 3.23Å; T2075-T2161 HydrophobicContact CG2-CG2 4.36Å; V2076-T2161 PolarHBondContact N-O 3.06Å; Y2140-T2161 CarbonylContact O-C 3.52Å; Y2140-T2161 VanDerWaalsContact O-CA 3.26Å; Y2140-T2161 WeakPolarHBondContact O-CA 3.25Å; Y2140-T2161 WeakPolarHBondContact O-CG2 3.22Å; T2161-L2163 HydrophobicContact CG2-CD2 4.08Å; T2161-L2163 HydrophobicContact CG2-CG 4.38Å
2162I89.3Confident82.1Confident3.8 Ų3.851.5 Ų51.52%0.01929%0.291CS..EExtended strand (participates in β ladder)000-44.4176.7000112.9V2076 L2078 V2088 F2116 S2139 Y2140 L2142 V2160 I2164V2076-I2162 HydrophobicContact CG1-CB 4.24Å; V2076-I2162 HydrophobicContact CG1-CD1 4.34Å; V2076-I2162 HydrophobicContact CG1-CG1 3.84Å; V2076-I2162 HydrophobicContact CG1-CG2 4.11Å; V2076-I2162 CarbonylContact O-C 3.35Å; V2076-I2162 WeakPolarHBondContact O-CA 3.36Å; L2078-I2162 HydrophobicContact CB-CG2 3.94Å; L2078-I2162 HydrophobicContact CD2-CG2 4.13Å; V2088-I2162 HydrophobicContact CG1-CD1 4.12Å; V2088-I2162 HydrophobicContact CG1-CG1 4.32Å; V2088-I2162 HydrophobicContact CG1-CG2 4.23Å; F2116-I2162 HydrophobicContact CD1-CD1 3.78Å; F2116-I2162 VanDerWaalsContact CD1-CD1 3.49Å; F2116-I2162 HydrophobicContact CD2-CD1 4.06Å; F2116-I2162 HydrophobicContact CE1-CD1 3.42Å; F2116-I2162 VanDerWaalsContact CE1-CD1 3.47Å; F2116-I2162 HydrophobicContact CE1-CG2 4.31Å; F2116-I2162 HydrophobicContact CE2-CD1 3.87Å; F2116-I2162 HydrophobicContact CG-CD1 3.94Å; F2116-I2162 HydrophobicContact CZ-CB 4.43Å; F2116-I2162 HydrophobicContact CZ-CD1 3.47Å; F2116-I2162 HydrophobicContact CZ-CG2 4.18Å; S2139-I2162 CarbonylContact C-O 3.5Å; S2139-I2162 VanDerWaalsContact CA-O 3.23Å; S2139-I2162 WeakPolarHBondContact CA-O 3.28Å; S2139-I2162 VanDerWaalsContact CB-O 3.23Å; S2139-I2162 WeakPolarHBondContact CB-O 3.33Å; Y2140-I2162 HydrophobicContact CD2-CB 4.34Å; Y2140-I2162 HydrophobicContact CD2-CD1 4.44Å; Y2140-I2162 PolarHBondContact N-O 3.1Å; Y2140-I2162 PolarHBondContact O-N 3.06Å; Y2140-I2162 VanDerWaalsContact O-N 3.14Å; L2142-I2162 HydrophobicContact CD1-CD1 3.8Å; L2142-I2162 HydrophobicContact CD1-CG1 4.46Å; L2142-I2162 HydrophobicContact CG-CD1 4.26Å; V2160-I2162 HydrophobicContact CG1-CG1 4.18Å; I2162-I2164 HydrophobicContact CG2-CD1 3.98Å
2163L85.7Confident82.2Confident65 Ų6552.1 Ų52.134%0.3429%0.286SS..EExtended strand (participates in β ladder)000-62.4175.2000113.1T2075 V2076 H2077 L2078 E2138 T2161T2075-L2163 HydrophobicContact CG2-CD1 3.78Å; T2075-L2163 HydrophobicContact CG2-CG 4.15Å; V2076-L2163 PolarHBondContact O-N 3.07Å; V2076-L2163 VanDerWaalsContact O-N 3.11Å; H2077-L2163 CarbonylContact C-O 3.51Å; H2077-L2163 WeakPolarHBondContact CA-O 3.41Å; L2078-L2163 CarbonylContact C-O 3.21Å; L2078-L2163 WeakPolarHBondContact CA-O 3.2Å; L2078-L2163 WeakPolarHBondContact CB-O 3.35Å; L2078-L2163 PolarHBondContact N-O 2.98Å; E2138-L2163 HydrophobicContact CB-CD2 4.01Å; E2138-L2163 WeakPolarHBondContact O-CA 3.29Å; T2161-L2163 HydrophobicContact CG2-CD2 4.08Å; T2161-L2163 HydrophobicContact CG2-CG 4.38Å
2164I87.8Confident82.4Confident16.6 Ų16.648.8 Ų48.89%0.08526%0.264CS..EExtended strand (participates in β ladder)000-49.2-52.9000114L2078 E2080 I2132 R2134 Q2137 E2138 Y2140 I2162L2078-I2164 HydrophobicContact CB-CD1 3.99Å; L2078-I2164 HydrophobicContact CD2-CD1 4.12Å; L2078-I2164 HydrophobicContact CG-CD1 4.39Å; L2078-I2164 CarbonylContact O-C 3.53Å; L2078-I2164 VanDerWaalsContact O-CA 3.26Å; L2078-I2164 WeakPolarHBondContact O-CA 3.33Å; E2080-I2164 HydrophobicContact CB-CG2 3.84Å; I2132-I2164 HydrophobicContact CD1-CD1 4.39Å; I2132-I2164 HydrophobicContact CG2-CB 4.36Å; I2132-I2164 HydrophobicContact CG2-CD1 3.5Å; I2132-I2164 HydrophobicContact CG2-CG1 3.95Å; I2132-I2164 HydrophobicContact CG2-CG2 3.86Å; I2132-I2164 VanDerWaalsContact CG2-CG2 3.47Å; R2134-I2164 HydrophobicContact CB-CB 4.28Å; R2134-I2164 HydrophobicContact CB-CG2 3.95Å; R2134-I2164 WeakPolarHBondContact CD-O 3.45Å; R2134-I2164 HydrophobicContact CG-CB 4.15Å; R2134-I2164 HydrophobicContact CG-CG2 4.11Å; Q2137-I2164 WeakPolarHBondContact O-CB 3.27Å; Q2137-I2164 VanDerWaalsContact O-CG1 3.3Å; Q2137-I2164 WeakPolarHBondContact O-CG1 3.09Å; E2138-I2164 WeakPolarHBondContact O-CG1 3.35Å; E2138-I2164 PolarHBondContact O-N 3.01Å; E2138-I2164 VanDerWaalsContact O-N 3.09Å; Y2140-I2164 HydrophobicContact CD2-CD1 4.09Å; Y2140-I2164 HydrophobicContact CD2-CG1 4.09Å; Y2140-I2164 HydrophobicContact CE2-CD1 3.96Å; Y2140-I2164 HydrophobicContact CE2-CG1 3.85Å; I2162-I2164 HydrophobicContact CG2-CD1 3.98Å
2165D79.7Confident82.3Confident75.6 Ų75.651.4 Ų51.440%0.40428%0.278SS..EExtended strand (participates in β ladder)000-70.4-35.8000114H2077 L2078 L2079 E2080 R2134H2077-D2165 WeakPolarHBondContact CB-OD2 3.26Å; H2077-D2165 IonicContact CE1-OD1 3.18Å; H2077-D2165 IonicContact CG-OD1 3.61Å; H2077-D2165 IonicContact CG-OD2 3.9Å; H2077-D2165 IonicContact ND1-OD1 3.43Å; H2077-D2165 PolarHBondContact ND1-OD1 2.77Å; H2077-D2165 IonicContact ND1-OD2 3.19Å; L2078-D2165 PolarHBondContact O-N 2.89Å; L2079-D2165 HydrophobicContact CD1-CB 3.93Å; L2079-D2165 HydrophobicContact CD2-CB 4.01Å; L2079-D2165 HydrophobicContact CG-CB 4.47Å; E2080-D2165 VanDerWaalsContact CB-O 3.29Å; E2080-D2165 WeakPolarHBondContact CB-O 3.41Å; E2080-D2165 WeakPolarHBondContact CG-O 3.5Å; E2080-D2165 PolarHBondContact N-O 3.16Å; E2080-D2165 VanDerWaalsContact N-O 3.1Å; R2134-D2165 WeakPolarHBondContact CB-O 3.28Å; R2134-D2165 VanDerWaalsContact CG-C 3.43Å
2166D77.9Confident82Confident64 Ų6452.6 Ų52.634%0.34228%0.279SS..  000-177.666.6000119E2080 R2134 N2168 L2203E2080-D2166 VanDerWaalsContact OE1-C 3.26Å; E2080-D2166 VanDerWaalsContact OE1-CA 3.25Å; E2080-D2166 WeakPolarHBondContact OE1-CA 3.32Å; R2134-D2166 VanDerWaalsContact CD-CA 3.47Å; R2134-D2166 IonicContact CZ-OD1 3.03Å; R2134-D2166 IonicContact NE-OD1 3.39Å; R2134-D2166 PolarHBondContact NE-OD1 3.24Å; R2134-D2166 VanDerWaalsContact NH1-CG 3.27Å; R2134-D2166 IonicContact NH1-OD1 2.71Å; R2134-D2166 PolarHBondContact NH1-OD1 3.1Å; R2134-D2166 IonicContact NH1-OD2 3.42Å; R2134-D2166 IonicContact NH2-OD1 3.31Å; R2134-D2166 PolarHBondContact NH2-OD1 2.91Å; D2166-N2168 PolarHBondContact OD2-OD1 3.03Å; D2166-L2203 HydrophobicContact CB-CB 4.23Å; D2166-L2203 HydrophobicContact CB-CD1 3.76Å; D2166-L2203 HydrophobicContact CB-CG 4.13Å; D2166-L2203 PolarHBondContact OD1-N 2.67Å; D2166-L2203 WeakPolarHBondContact OD2-CB 3.44Å; D2166-L2203 WeakPolarHBondContact OD2-CD2 2.92Å; D2166-L2203 PolarHBondContact OD2-N 2.76Å
2167I70.6Confident81.7Confident65.8 Ų65.854.1 Ų54.134%0.33729%0.285SS..  000-65.8-176000111.3L2079 E2080 N2081 D2169L2079-I2167 HydrophobicContact CB-CD1 4.26Å; L2079-I2167 HydrophobicContact CD1-CD1 4.36Å; L2079-I2167 HydrophobicContact CD1-CG1 3.89Å; L2079-I2167 HydrophobicContact CD2-CD1 3.96Å; L2079-I2167 HydrophobicContact CD2-CG1 4.15Å; L2079-I2167 HydrophobicContact CG-CD1 3.76Å; L2079-I2167 HydrophobicContact CG-CG1 3.86Å; E2080-I2167 HydrophobicContact CG-CB 3.8Å; E2080-I2167 HydrophobicContact CG-CD1 4.08Å; E2080-I2167 HydrophobicContact CG-CG1 3.89Å; E2080-I2167 VanDerWaalsContact O-CD1 3.23Å; E2080-I2167 WeakPolarHBondContact O-CD1 3.46Å; E2080-I2167 WeakPolarHBondContact OE1-CA 3.35Å; E2080-I2167 WeakPolarHBondContact OE1-CD1 3.42Å; E2080-I2167 PolarHBondContact OE1-N 3.09Å; E2080-I2167 VanDerWaalsContact OE1-O 3.06Å; N2081-I2167 HydrophobicContact CB-CD1 4.17Å; N2081-I2167 WeakPolarHBondContact ND2-CD1 3.27Å; I2167-D2169 VanDerWaalsContact C-N 3.34Å; I2167-D2169 HydrophobicContact CG2-CB 4.4Å; I2167-D2169 PolarHBondContact O-N 3.03Å
2168N70.7Confident81.6Confident54.6 Ų54.655.9 Ų55.929%0.29229%0.29SS..  000-166.6115.3000114.8D2166 D2202 D2262 A2264 S2265D2166-N2168 PolarHBondContact OD2-OD1 3.03Å; N2168-D2202 VanDerWaalsContact C-OD2 3.26Å; N2168-D2202 VanDerWaalsContact CA-CG 3.47Å; N2168-D2202 VanDerWaalsContact CA-OD2 3.28Å; N2168-D2202 WeakPolarHBondContact CA-OD2 3.3Å; N2168-D2202 HydrophobicContact CB-CB 4.36Å; N2168-D2202 WeakPolarHBondContact CB-OD2 3.45Å; N2168-D2202 PolarHBondContact ND2-OD2 3.4Å; N2168-D2202 VanDerWaalsContact OD1-CB 3.24Å; N2168-D2202 WeakPolarHBondContact OD1-CB 3.29Å; N2168-D2202 PolarHBondContact OD1-OD2 3.35Å; N2168-D2262 PolarHBondContact ND2-OD1 3.06Å; N2168-D2262 VanDerWaalsContact ND2-OD1 3.16Å; N2168-A2264 VanDerWaalsContact ND2-C 3.27Å; N2168-A2264 WeakPolarHBondContact ND2-CB 3.46Å; N2168-A2264 PolarHBondContact ND2-O 2.78Å; N2168-A2264 WeakPolarHBondContact OD1-CB 3.23Å; N2168-S2265 PolarHBondContact O-OG 3.22Å
2169D75Confident81.5Confident75.2 Ų75.257.6 Ų57.640%0.40230%0.297SS..  00082.7-13.2000116N2081 I2167 R2171 D2202 L2267 H2270N2081-D2169 WeakPolarHBondContact ND2-CB 3.26Å; N2081-D2169 VanDerWaalsContact ND2-CG 3.27Å; N2081-D2169 PolarHBondContact ND2-OD2 3.15Å; I2167-D2169 VanDerWaalsContact C-N 3.34Å; I2167-D2169 HydrophobicContact CG2-CB 4.4Å; I2167-D2169 PolarHBondContact O-N 3.03Å; D2169-R2171 PolarHBondContact O-N 2.69Å; D2169-D2202 PolarHBondContact N-OD1 2.98Å; D2169-D2202 PolarHBondContact N-OD2 2.82Å; D2169-D2202 VanDerWaalsContact N-OD2 3.09Å; D2169-L2267 HydrophobicContact CB-CD1 3.81Å; D2169-H2270 PolarHBondContact O-ND1 3.22Å
2170S73Confident81.5Confident29 Ų2959.3 Ų59.320%0.20331%0.31CS..  000-70.10000115E2135 D2200 L2201 D2202E2135-S2170 WeakPolarHBondContact CG-OG 3.37Å; E2135-S2170 PolarHBondContact OE2-OG 2.8Å; S2170-D2200 WeakPolarHBondContact CB-OD1 3.34Å; S2170-L2201 WeakPolarHBondContact OG-CB 3.44Å; S2170-L2201 WeakPolarHBondContact OG-CD1 3.25Å; S2170-D2202 VanDerWaalsContact CB-OD1 3.24Å; S2170-D2202 WeakPolarHBondContact CB-OD1 3.22Å; S2170-D2202 WeakPolarHBondContact CB-OD2 3.46Å; S2170-D2202 PolarHBondContact N-OD1 3.2Å; S2170-D2202 VanDerWaalsContact N-OD1 3.11Å; S2170-D2202 PolarHBondContact N-OD2 2.78Å; S2170-D2202 PolarHBondContact OG-OD1 2.82Å
2171R76.4Confident81.5Confident115.4 Ų115.460.6 Ų60.644%0.43532%0.318SS..  0152.2072.9175.563.6-140.7-5.7112.5D2169 E2173 D2200 E2269 H2270 V2272D2169-R2171 PolarHBondContact O-N 2.69Å; R2171-E2173 PolarHBondContact O-N 3Å; R2171-D2200 VanDerWaalsContact C-OD2 3.25Å; R2171-D2200 WeakPolarHBondContact O-CA 3.39Å; R2171-D2200 VanDerWaalsContact O-CG 3.31Å; R2171-E2269 PolarHBondContact NH1-O 2.94Å; R2171-E2269 PolarHBondContact NH2-O 3.27Å; R2171-H2270 WeakPolarHBondContact CA-O 3.42Å; R2171-H2270 WeakPolarHBondContact CB-O 3.44Å; R2171-V2272 PolarHBondContact NH1-O 3.19Å
2172P83.3Confident81.6Confident5.6 Ų5.662 Ų624%0.03633%0.33CS..PPolyproline II helixtrans-70.6132.91747.6-7.3000113.5I2199 D2200 P2205 L2207 V2260 D2262 H2270 S2273P2172-I2199 CarbonylContact C-O 3.55Å; P2172-I2199 WeakPolarHBondContact CA-O 3.35Å; P2172-D2200 WeakPolarHBondContact CA-OD2 3.4Å; P2172-D2200 HydrophobicContact CB-CB 4.2Å; P2172-D2200 WeakPolarHBondContact CB-OD2 3.45Å; P2172-D2200 WeakPolarHBondContact CD-OD2 3.31Å; P2172-D2200 HydrophobicContact CG-CB 4.39Å; P2172-D2200 VanDerWaalsContact N-OD2 3.08Å; P2172-P2205 HydrophobicContact CB-CB 4.49Å; P2172-L2207 HydrophobicContact CB-CD2 3.83Å; P2172-L2207 HydrophobicContact CG-CD2 3.86Å; P2172-V2260 HydrophobicContact CB-CG1 3.71Å; P2172-V2260 HydrophobicContact CB-CG2 4.46Å; P2172-V2260 HydrophobicContact CG-CG1 3.92Å; P2172-D2262 WeakPolarHBondContact CD-OD2 3.31Å; P2172-D2262 HydrophobicContact CG-CB 3.89Å; P2172-H2270 WeakPolarHBondContact CD-O 3.41Å; P2172-H2270 WeakPolarHBondContact CG-O 3.02Å; P2172-S2273 WeakPolarHBondContact O-CA 3.36Å; P2172-S2273 WeakPolarHBondContact O-CB 3.25Å
2173E79.1Confident81.6Confident124.4 Ų124.462.4 Ų62.458%0.58133%0.332SS*.EExtended strand (participates in β ladder)trans-125136-177.5-171.9177.3-171.900112.2R2171 L2175 P2177 A2198 I2199R2171-E2173 PolarHBondContact O-N 3Å; E2173-L2175 PolarHBondContact O-N 3.13Å; E2173-P2177 HydrophobicContact CG-CG 4.34Å; E2173-A2198 CarbonylContact O-C 3.53Å; E2173-A2198 VanDerWaalsContact O-CA 3.32Å; E2173-A2198 WeakPolarHBondContact O-CA 3.32Å; E2173-A2198 VanDerWaalsContact O-CB 3.25Å; E2173-A2198 WeakPolarHBondContact O-CB 3.31Å; E2173-I2199 HydrophobicContact CB-CG1 4.49Å; E2173-I2199 PolarHBondContact N-O 3.01Å; E2173-I2199 PolarHBondContact O-N 3.02Å; E2173-I2199 VanDerWaalsContact O-O 3.14Å
2174F85.2Confident81.8Confident6 Ų663.4 Ų63.43%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-73.3126.7172.3-76.4-72.7000111.5N2176 P2177 V2196 T2197 A2198 Y2209 L2258 S2259 V2260 S2273 A2277F2174-N2176 PolarHBondContact O-N 3.1Å; F2174-N2176 VanDerWaalsContact O-N 3.13Å; F2174-P2177 VanDerWaalsContact CB-CA 3.45Å; F2174-P2177 HydrophobicContact CB-CB 4.17Å; F2174-P2177 HydrophobicContact CB-CG 3.83Å; F2174-P2177 WeakPolarHBondContact O-CD 3.41Å; F2174-P2177 WeakPolarHBondContact O-CG 3.46Å; F2174-V2196 HydrophobicContact CD1-CG1 3.56Å; F2174-V2196 HydrophobicContact CE1-CB 4.46Å; F2174-V2196 HydrophobicContact CE1-CG1 3.49Å; F2174-V2196 VanDerWaalsContact CE1-CG1 3.47Å; F2174-V2196 HydrophobicContact CG-CG1 4.38Å; F2174-V2196 HydrophobicContact CZ-CG1 4.45Å; F2174-T2197 WeakPolarHBondContact CA-O 3.45Å; F2174-T2197 WeakPolarHBondContact CD1-O 3.38Å; F2174-A2198 HydrophobicContact CD1-CB 4Å; F2174-A2198 HydrophobicContact CE1-CB 4.23Å; F2174-A2198 HydrophobicContact CG-CB 4.38Å; F2174-Y2209 AromaticContact CE1-CD1 3.88Å; F2174-Y2209 HydrophobicContact CE1-CD1 4.04Å; F2174-Y2209 AromaticContact CE1-CE1 3.85Å; F2174-Y2209 HydrophobicContact CE1-CE1 3.95Å; F2174-Y2209 HydrophobicContact CZ-CD1 4.36Å; F2174-L2258 VanDerWaalsContact CE2-O 3.31Å; F2174-L2258 WeakPolarHBondContact CE2-O 3.44Å; F2174-L2258 HydrophobicContact CZ-CB 4.33Å; F2174-S2259 VanDerWaalsContact CZ-C 3.46Å; F2174-V2260 HydrophobicContact CD1-CB 4.48Å; F2174-V2260 HydrophobicContact CD1-CG1 4.25Å; F2174-V2260 HydrophobicContact CD2-CG1 4.28Å; F2174-V2260 HydrophobicContact CE1-CB 4.04Å; F2174-V2260 HydrophobicContact CE1-CG1 3.91Å; F2174-V2260 HydrophobicContact CE2-CB 4.19Å; F2174-V2260 HydrophobicContact CE2-CG1 3.82Å; F2174-V2260 HydrophobicContact CG-CG1 4.07Å; F2174-V2260 HydrophobicContact CZ-CB 3.76Å; F2174-V2260 VanDerWaalsContact CZ-CB 3.49Å; F2174-V2260 HydrophobicContact CZ-CG1 3.64Å; F2174-S2273 VanDerWaalsContact CE2-OG 3.25Å; F2174-S2273 WeakPolarHBondContact CE2-OG 3.38Å; F2174-A2277 HydrophobicContact CB-CB 4.29Å; F2174-A2277 HydrophobicContact CD1-CB 4.02Å; F2174-A2277 HydrophobicContact CD2-CB 3.66Å; F2174-A2277 HydrophobicContact CE1-CB 4Å; F2174-A2277 HydrophobicContact CE2-CB 3.63Å; F2174-A2277 HydrophobicContact CG-CB 3.84Å; F2174-A2277 HydrophobicContact CZ-CB 3.79Å
2175L80.7Confident81.9Confident93.4 Ų93.463.3 Ų63.349%0.48934%0.337SS..SBendtrans-60.2-32.1178.9-79168.4000112.9E2173 T2197 I2199E2173-L2175 PolarHBondContact O-N 3.13Å; L2175-T2197 WeakPolarHBondContact CD1-OG1 3.35Å; L2175-T2197 PolarHBondContact N-O 3.08Å; L2175-T2197 VanDerWaalsContact N-O 3.09Å; L2175-I2199 HydrophobicContact CD1-CG2 4.05Å; L2175-I2199 HydrophobicContact CD2-CB 4.24Å; L2175-I2199 HydrophobicContact CD2-CD1 3.96Å; L2175-I2199 HydrophobicContact CD2-CG1 4.03Å; L2175-I2199 HydrophobicContact CD2-CG2 3.92Å; L2175-I2199 HydrophobicContact CG-CB 4.22Å; L2175-I2199 HydrophobicContact CG-CD1 4.43Å; L2175-I2199 HydrophobicContact CG-CG1 4.09Å; L2175-I2199 HydrophobicContact CG-CG2 4.04Å
2176N78.8Confident82.2Confident95.4 Ų95.463.4 Ų63.451%0.5134%0.343SS..SBendtrans-136.289.7174.2-69.6-57000108.1F2174 I2178 Q2179F2174-N2176 PolarHBondContact O-N 3.1Å; F2174-N2176 VanDerWaalsContact O-N 3.13Å; N2176-I2178 VanDerWaalsContact C-N 3.26Å; N2176-I2178 PolarHBondContact O-N 3.08Å; N2176-Q2179 HydrophobicContact CB-CG 3.93Å; N2176-Q2179 PolarHBondContact O-NE2 2.96Å
2177P80.8Confident82.6Confident48.8 Ų48.861.1 Ų61.132%0.31733%0.333SS..SBendtrans-71.5-13.9-176.320.9-23.9000113E2173 F2174 P2275 A2277 K2278E2173-P2177 HydrophobicContact CG-CG 4.34Å; F2174-P2177 VanDerWaalsContact CB-CA 3.45Å; F2174-P2177 HydrophobicContact CB-CB 4.17Å; F2174-P2177 HydrophobicContact CB-CG 3.83Å; F2174-P2177 WeakPolarHBondContact O-CD 3.41Å; F2174-P2177 WeakPolarHBondContact O-CG 3.46Å; P2177-P2275 HydrophobicContact CB-CG 4.26Å; P2177-A2277 CarbonylContact O-C 3.52Å; P2177-A2277 VanDerWaalsContact O-CA 3.26Å; P2177-A2277 WeakPolarHBondContact O-CA 3.34Å; P2177-K2278 PolarHBondContact O-N 3.05Å
2178I85Confident83.4Confident127 Ų12765.3 Ų65.365%0.65135%0.351SS*.EExtended strand (participates in β ladder)trans-127.9120.2172.6-56.6175.9000107.8N2176 K2278N2176-I2178 VanDerWaalsContact C-N 3.26Å; N2176-I2178 PolarHBondContact O-N 3.08Å; I2178-K2278 CarbonylContact C-O 3.44Å; I2178-K2278 WeakPolarHBondContact CA-O 3.33Å
2179Q85.9Confident84.2Confident42 Ų4266.3 Ų66.320%0.19636%0.361CS..EExtended strand (participates in β ladder)trans-126.6144.6173.5-84.2-174.613.900110.2N2176 V2181 N2195 K2278 L2279 T2280N2176-Q2179 HydrophobicContact CB-CG 3.93Å; N2176-Q2179 PolarHBondContact O-NE2 2.96Å; Q2179-V2181 HydrophobicContact CG-CG2 4.34Å; Q2179-N2195 PolarHBondContact NE2-O 2.83Å; Q2179-N2195 PolarHBondContact OE1-O 2.81Å; Q2179-K2278 PolarHBondContact N-O 3.35Å; Q2179-L2279 HydrophobicContact CB-CD1 3.76Å; Q2179-L2279 CarbonylContact O-C 3.49Å; Q2179-L2279 VanDerWaalsContact O-CA 3.26Å; Q2179-L2279 WeakPolarHBondContact O-CA 3.22Å; Q2179-T2280 PolarHBondContact O-N 3.12Å
2180T88.1Confident84.8Confident93.4 Ų93.464.8 Ų64.857%0.57336%0.363SS*.EExtended strand (participates in β ladder)trans-122.1129.4171.6-16.20000108.8T2280 N2282T2180-T2280 CarbonylContact C-O 3.53Å; T2180-T2280 VanDerWaalsContact CA-O 3.3Å; T2180-T2280 WeakPolarHBondContact CA-O 3.39Å; T2180-T2280 HydrophobicContact CG2-CG2 4.39Å; T2180-N2282 WeakPolarHBondContact CG2-ND2 3.01Å
2181V90.3Very high85.5Confident28.8 Ų28.866.2 Ų66.218%0.17537%0.371CS..EExtended strand (participates in β ladder)trans-130.2153.5178.2-103.20000109.8Q2179 V2183 I2193 A2194 L2279 T2280 V2281 N2282Q2179-V2181 HydrophobicContact CG-CG2 4.34Å; V2181-V2183 HydrophobicContact CG1-CG2 4.11Å; V2181-I2193 HydrophobicContact CG1-CB 4.44Å; V2181-I2193 WeakPolarHBondContact CG1-O 3.26Å; V2181-I2193 HydrophobicContact CG2-CB 4.24Å; V2181-I2193 HydrophobicContact CG2-CD1 4.28Å; V2181-I2193 HydrophobicContact CG2-CG1 4.47Å; V2181-A2194 HydrophobicContact CG1-CB 4Å; V2181-A2194 HydrophobicContact CG2-CB 4.27Å; V2181-L2279 HydrophobicContact CB-CD1 4.4Å; V2181-L2279 HydrophobicContact CG1-CD1 3.97Å; V2181-L2279 HydrophobicContact CG2-CD1 3.82Å; V2181-L2279 HydrophobicContact CG2-CG 4.37Å; V2181-T2280 PolarHBondContact N-O 3.17Å; V2181-V2281 HydrophobicContact CG2-CB 4.29Å; V2181-V2281 HydrophobicContact CG2-CG1 4.17Å; V2181-V2281 HydrophobicContact CG2-CG2 3.93Å; V2181-V2281 CarbonylContact O-C 3.38Å; V2181-V2281 WeakPolarHBondContact O-CA 3.34Å; V2181-N2282 PolarHBondContact O-N 2.85Å
2182S89.5Confident86.1Confident72.6 Ų72.665.6 Ų65.651%0.50838%0.375SS..EExtended strand (participates in β ladder)trans-120.2133.3176.4-18.80000110.5N2282S2182-N2282 CarbonylContact C-O 3.44Å; S2182-N2282 VanDerWaalsContact CA-O 3.29Å; S2182-N2282 WeakPolarHBondContact CA-O 3.39Å
2183V90.6Very high86.4Confident11 Ų1166.6 Ų66.67%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-132.7134-174.9103.90000109.2V2181 A2187 I2193 V2242 L2246 V2281 N2282 I2283 L2284V2181-V2183 HydrophobicContact CG1-CG2 4.11Å; V2183-A2187 HydrophobicContact CG1-CB 3.69Å; V2183-A2187 HydrophobicContact CG2-CB 3.59Å; V2183-I2193 HydrophobicContact CB-CG2 4.03Å; V2183-I2193 HydrophobicContact CG1-CG2 4.34Å; V2183-I2193 HydrophobicContact CG2-CB 3.94Å; V2183-I2193 HydrophobicContact CG2-CG2 3.64Å; V2183-V2242 HydrophobicContact CG2-CG2 4.32Å; V2183-L2246 HydrophobicContact CG1-CD1 3.92Å; V2183-L2246 HydrophobicContact CG2-CD1 4.3Å; V2183-V2281 HydrophobicContact CB-CG1 4.32Å; V2183-V2281 HydrophobicContact CG1-CG1 3.54Å; V2183-V2281 VanDerWaalsContact CG1-CG1 3.49Å; V2183-V2281 HydrophobicContact CG2-CG1 3.6Å; V2183-N2282 PolarHBondContact N-O 3.18Å; V2183-I2283 HydrophobicContact CG1-CD1 3.59Å; V2183-I2283 VanDerWaalsContact CG1-CD1 3.45Å; V2183-I2283 CarbonylContact O-C 3.53Å; V2183-I2283 WeakPolarHBondContact O-CA 3.37Å; V2183-L2284 PolarHBondContact O-N 3.24Å
2184L89Confident86.8Confident87.2 Ų87.261 Ų6146%0.45736%0.355SS..EExtended strand (participates in β ladder)trans-66140.9172.8-68.2163.2000109.9S2186 A2187 L2284 V2286L2184-S2186 PolarHBondContact O-N 2.95Å; L2184-A2187 WeakPolarHBondContact O-CB 3.32Å; L2184-A2187 PolarHBondContact O-N 3.22Å; L2184-A2187 VanDerWaalsContact O-N 3.08Å; L2184-L2284 WeakPolarHBondContact CA-O 3.4Å; L2184-L2284 HydrophobicContact CD2-CB 3.86Å; L2184-L2284 HydrophobicContact CD2-CD1 4.42Å; L2184-L2284 HydrophobicContact CG-CB 4.44Å; L2184-V2286 HydrophobicContact CB-CG2 4.34Å; L2184-V2286 HydrophobicContact CD2-CG2 4.03Å
2185E89.7Confident86.8Confident14.6 Ų14.665.1 Ų65.17%0.06838%0.377CS..THydrogen-bonded Turntrans-62.1-26.6175.470.5-167.4117.100113.2A2187 L2246 N2247 R2248 I2283 L2284 D2285 V2286E2185-A2187 PolarHBondContact O-N 3.19Å; E2185-A2187 VanDerWaalsContact O-N 3.12Å; E2185-L2246 HydrophobicContact CB-CB 4.29Å; E2185-N2247 WeakPolarHBondContact OE2-CA 3.25Å; E2185-N2247 PolarHBondContact OE2-ND2 3.32Å; E2185-N2247 VanDerWaalsContact OE2-ND2 3.09Å; E2185-R2248 HydrophobicContact CB-CB 4.32Å; E2185-R2248 VanDerWaalsContact CD-CB 3.47Å; E2185-R2248 HydrophobicContact CG-CB 4.38Å; E2185-R2248 WeakPolarHBondContact OE1-CB 3.29Å; E2185-R2248 VanDerWaalsContact OE2-CB 3.29Å; E2185-R2248 WeakPolarHBondContact OE2-CB 3.3Å; E2185-R2248 PolarHBondContact OE2-N 3.19Å; E2185-I2283 HydrophobicContact CB-CG2 3.72Å; E2185-L2284 PolarHBondContact N-O 3.03Å; E2185-L2284 VanDerWaalsContact N-O 3.11Å; E2185-D2285 WeakPolarHBondContact OE1-CA 3.31Å; E2185-V2286 HydrophobicContact CG-CB 4.04Å; E2185-V2286 HydrophobicContact CG-CG2 4Å; E2185-V2286 PolarHBondContact OE1-N 3.01Å
2186S87.1Confident87Confident76.4 Ų76.460.8 Ų60.853%0.53436%0.355SS..THydrogen-bonded Turntrans-72.44.5172.859.60000114.6L2184 E2188L2184-S2186 PolarHBondContact O-N 2.95Å; S2186-E2188 PolarHBondContact O-N 3.02Å
2187A86.7Confident87.3Confident16.6 Ų16.659.1 Ų59.114%0.13735%0.348CS..PPolyproline II helixtrans-65.7121176.500000111.4V2183 L2184 E2185 T2191 V2242V2183-A2187 HydrophobicContact CG1-CB 3.69Å; V2183-A2187 HydrophobicContact CG2-CB 3.59Å; L2184-A2187 WeakPolarHBondContact O-CB 3.32Å; L2184-A2187 PolarHBondContact O-N 3.22Å; L2184-A2187 VanDerWaalsContact O-N 3.08Å; E2185-A2187 PolarHBondContact O-N 3.19Å; E2185-A2187 VanDerWaalsContact O-N 3.12Å; A2187-T2191 HydrophobicContact CB-CG2 4.37Å; A2187-V2242 HydrophobicContact CB-CG2 4.32Å
2188E86.4Confident87.5Confident153.8 Ų153.857.4 Ų57.472%0.71934%0.338SS*.PPolyproline II helixtrans-64.9142.2178.8-65.5-173.5174.600111.4S2186 G2190 T2191S2186-E2188 PolarHBondContact O-N 3.02Å; E2188-G2190 PolarHBondContact O-N 3.04Å; E2188-T2191 VanDerWaalsContact O-CB 3.29Å; E2188-T2191 WeakPolarHBondContact O-CB 3.37Å; E2188-T2191 PolarHBondContact O-N 2.82Å; E2188-T2191 VanDerWaalsContact O-N 3.12Å; E2188-T2191 PolarHBondContact O-OG1 3.13Å
2189P87.8Confident87.3Confident75.6 Ų75.655 Ų5549%0.49133%0.326SS..THydrogen-bonded Turntrans-51.8128.2170.4-28.736.4000112.1V2242 P2245P2189-V2242 CarbonylContact C-O 3.52Å; P2189-P2245 HydrophobicContact CG-CG 4.46Å
2190G86.4Confident87.2Confident44.2 Ų44.254.2 Ų54.246%0.45632%0.322SS..THydrogen-bonded Turntrans107.4-12-17100000114.4E2188 I2192 M2241 V2242E2188-G2190 PolarHBondContact O-N 3.04Å; G2190-I2192 PolarHBondContact O-N 3.02Å; G2190-M2241 WeakPolarHBondContact O-CE 3.31Å; G2190-V2242 WeakPolarHBondContact CA-O 3.17Å; G2190-V2242 PolarHBondContact N-O 2.92Å
2191T89.2Confident86.8Confident58.4 Ų58.455.5 Ų55.536%0.35833%0.325SS..  trans-64.2124.4176.8-59.80000111.1A2187 E2188 I2193 M2241 V2242A2187-T2191 HydrophobicContact CB-CG2 4.37Å; E2188-T2191 VanDerWaalsContact O-CB 3.29Å; E2188-T2191 WeakPolarHBondContact O-CB 3.37Å; E2188-T2191 PolarHBondContact O-N 2.82Å; E2188-T2191 VanDerWaalsContact O-N 3.12Å; E2188-T2191 PolarHBondContact O-OG1 3.13Å; T2191-I2193 HydrophobicContact CG2-CG2 4.43Å; T2191-M2241 CarbonylContact O-C 3.55Å; T2191-M2241 WeakPolarHBondContact O-CA 3.33Å; T2191-M2241 WeakPolarHBondContact O-CB 3.4Å; T2191-V2242 PolarHBondContact O-N 3.24Å
2192I89Confident86.4Confident103.4 Ų103.455.2 Ų55.253%0.5332%0.323SS..EExtended strand (participates in β ladder)trans-79.7127.1175.6-58.6172.7000109.2G2190 V2240 M2241G2190-I2192 PolarHBondContact O-N 3.02Å; I2192-V2240 CarbonylContact C-O 3.46Å; I2192-V2240 WeakPolarHBondContact CA-O 3.31Å; I2192-V2240 WeakPolarHBondContact CG2-O 3.46Å; I2192-M2241 HydrophobicContact CG1-CB 4.31Å
2193I89.1Confident85.7Confident25 Ų2557.3 Ų57.313%0.12833%0.328CS..EExtended strand (participates in β ladder)trans-109.3-29-173.858.7160.7000113.7V2181 V2183 T2191 F2231 V2240 V2242 L2279 V2281V2181-I2193 HydrophobicContact CG1-CB 4.44Å; V2181-I2193 WeakPolarHBondContact CG1-O 3.26Å; V2181-I2193 HydrophobicContact CG2-CB 4.24Å; V2181-I2193 HydrophobicContact CG2-CD1 4.28Å; V2181-I2193 HydrophobicContact CG2-CG1 4.47Å; V2183-I2193 HydrophobicContact CB-CG2 4.03Å; V2183-I2193 HydrophobicContact CG1-CG2 4.34Å; V2183-I2193 HydrophobicContact CG2-CB 3.94Å; V2183-I2193 HydrophobicContact CG2-CG2 3.64Å; T2191-I2193 HydrophobicContact CG2-CG2 4.43Å; I2193-F2231 HydrophobicContact CD1-CD1 3.64Å; I2193-F2231 HydrophobicContact CD1-CE1 3.57Å; I2193-F2231 HydrophobicContact CD1-CG 4.48Å; I2193-F2231 HydrophobicContact CD1-CZ 4.4Å; I2193-V2240 HydrophobicContact CD1-CG1 4.03Å; I2193-V2240 HydrophobicContact CG1-CB 4.16Å; I2193-V2240 HydrophobicContact CG1-CG1 4.07Å; I2193-V2240 VanDerWaalsContact CG1-O 3.27Å; I2193-V2240 WeakPolarHBondContact CG1-O 3.38Å; I2193-V2240 PolarHBondContact N-O 3.06Å; I2193-V2242 HydrophobicContact CG2-CG2 3.83Å; I2193-L2279 HydrophobicContact CD1-CD2 4.3Å; I2193-L2279 HydrophobicContact CG1-CD2 4.48Å; I2193-V2281 HydrophobicContact CD1-CB 4.41Å; I2193-V2281 HydrophobicContact CD1-CG1 3.93Å; I2193-V2281 HydrophobicContact CD1-CG2 3.6Å
2194A87.4Confident84.8Confident8.2 Ų8.263.1 Ų63.17%0.06836%0.358CS..EExtended strand (participates in β ladder)trans-153.3154.2-177.300000111.4V2181 S2239 V2240 L2279V2181-A2194 HydrophobicContact CG1-CB 4Å; V2181-A2194 HydrophobicContact CG2-CB 4.27Å; A2194-S2239 CarbonylContact O-C 3.57Å; A2194-S2239 VanDerWaalsContact O-CA 3.23Å; A2194-S2239 WeakPolarHBondContact O-CA 3.31Å; A2194-V2240 HydrophobicContact CB-CB 4.31Å; A2194-V2240 HydrophobicContact CB-CG2 4.48Å; A2194-V2240 PolarHBondContact N-O 2.83Å; A2194-V2240 PolarHBondContact O-N 3.13Å; A2194-L2279 HydrophobicContact CB-CD1 3.76Å; A2194-L2279 HydrophobicContact CB-CD2 3.67Å; A2194-L2279 HydrophobicContact CB-CG 4.35Å
2195N86.1Confident84Confident92 Ų9261.2 Ų61.249%0.49235%0.351SS..EExtended strand (participates in β ladder)trans-121.2112.6168.7-72.6-26.9000108.6Q2179 G2238 S2239Q2179-N2195 PolarHBondContact NE2-O 2.83Å; Q2179-N2195 PolarHBondContact OE1-O 2.81Å; N2195-G2238 WeakPolarHBondContact CA-O 3.47Å; N2195-S2239 WeakPolarHBondContact OD1-CA 3.33Å; N2195-S2239 VanDerWaalsContact OD1-CB 3.3Å; N2195-S2239 WeakPolarHBondContact OD1-CB 3.39Å; N2195-S2239 PolarHBondContact OD1-OG 3.07Å
2196V85.1Confident83.4Confident3.4 Ų3.466.4 Ų66.42%0.02137%0.374CS..  trans-98.9118.7-179.5-168.70000108.6F2174 Y2209 G2238 V2240 L2258 A2277F2174-V2196 HydrophobicContact CD1-CG1 3.56Å; F2174-V2196 HydrophobicContact CE1-CB 4.46Å; F2174-V2196 HydrophobicContact CE1-CG1 3.49Å; F2174-V2196 VanDerWaalsContact CE1-CG1 3.47Å; F2174-V2196 HydrophobicContact CG-CG1 4.38Å; F2174-V2196 HydrophobicContact CZ-CG1 4.45Å; V2196-Y2209 VanDerWaalsContact O-CE1 3.31Å; V2196-Y2209 WeakPolarHBondContact O-CE1 3.37Å; V2196-G2238 PolarHBondContact N-O 3.16Å; V2196-G2238 VanDerWaalsContact N-O 3.12Å; V2196-G2238 WeakPolarHBondContact O-CA 3.25Å; V2196-V2240 HydrophobicContact CG2-CG2 4.04Å; V2196-L2258 HydrophobicContact CG2-CD1 4.37Å; V2196-L2258 HydrophobicContact CG2-CD2 4.27Å; V2196-A2277 HydrophobicContact CG1-CB 3.93Å
2197T84.5Confident83.4Confident58.8 Ų58.864.7 Ų64.736%0.36136%0.358SS..  trans-120143.9-171.949.30000111.8F2174 L2175F2174-T2197 WeakPolarHBondContact CA-O 3.45Å; F2174-T2197 WeakPolarHBondContact CD1-O 3.38Å; L2175-T2197 WeakPolarHBondContact CD1-OG1 3.35Å; L2175-T2197 PolarHBondContact N-O 3.08Å; L2175-T2197 VanDerWaalsContact N-O 3.09Å
2198A84.8Confident83.4Confident12.6 Ų12.667.5 Ų67.510%0.10437%0.369CS..EExtended strand (participates in β ladder)trans-127.8159.4177.500000112.5E2173 F2174 L2207 Y2209 V2260E2173-A2198 CarbonylContact O-C 3.53Å; E2173-A2198 VanDerWaalsContact O-CA 3.32Å; E2173-A2198 WeakPolarHBondContact O-CA 3.32Å; E2173-A2198 VanDerWaalsContact O-CB 3.25Å; E2173-A2198 WeakPolarHBondContact O-CB 3.31Å; F2174-A2198 HydrophobicContact CD1-CB 4Å; F2174-A2198 HydrophobicContact CE1-CB 4.23Å; F2174-A2198 HydrophobicContact CG-CB 4.38Å; A2198-L2207 HydrophobicContact CB-CD1 4.06Å; A2198-L2207 HydrophobicContact CB-CD2 3.3Å; A2198-L2207 HydrophobicContact CB-CG 3.89Å; A2198-Y2209 HydrophobicContact CB-CE1 4.09Å; A2198-Y2209 PolarHBondContact N-OH 2.92Å; A2198-V2260 HydrophobicContact CB-CB 4.2Å; A2198-V2260 HydrophobicContact CB-CG1 3.82Å; A2198-V2260 HydrophobicContact CB-CG2 4.26Å
2199I81.5Confident83.5Confident77.4 Ų77.461.1 Ų61.140%0.39734%0.338SS..EExtended strand (participates in β ladder)trans-130.4161.8176.956.7166.5000110.2P2172 E2173 L2175P2172-I2199 CarbonylContact C-O 3.55Å; P2172-I2199 WeakPolarHBondContact CA-O 3.35Å; E2173-I2199 HydrophobicContact CB-CG1 4.49Å; E2173-I2199 PolarHBondContact N-O 3.01Å; E2173-I2199 PolarHBondContact O-N 3.02Å; E2173-I2199 VanDerWaalsContact O-O 3.14Å; L2175-I2199 HydrophobicContact CD1-CG2 4.05Å; L2175-I2199 HydrophobicContact CD2-CB 4.24Å; L2175-I2199 HydrophobicContact CD2-CD1 3.96Å; L2175-I2199 HydrophobicContact CD2-CG1 4.03Å; L2175-I2199 HydrophobicContact CD2-CG2 3.92Å; L2175-I2199 HydrophobicContact CG-CB 4.22Å; L2175-I2199 HydrophobicContact CG-CD1 4.43Å; L2175-I2199 HydrophobicContact CG-CG1 4.09Å; L2175-I2199 HydrophobicContact CG-CG2 4.04Å
2200D82.3Confident83.6Confident24 Ų2461 Ų6113%0.12833%0.331CS..  trans-145.6142.7174.9-170.6-37.9000106.3S2170 R2171 P2172 D2202 P2205 L2207 D2262S2170-D2200 WeakPolarHBondContact CB-OD1 3.34Å; R2171-D2200 VanDerWaalsContact C-OD2 3.25Å; R2171-D2200 WeakPolarHBondContact O-CA 3.39Å; R2171-D2200 VanDerWaalsContact O-CG 3.31Å; P2172-D2200 WeakPolarHBondContact CA-OD2 3.4Å; P2172-D2200 HydrophobicContact CB-CB 4.2Å; P2172-D2200 WeakPolarHBondContact CB-OD2 3.45Å; P2172-D2200 WeakPolarHBondContact CD-OD2 3.31Å; P2172-D2200 HydrophobicContact CG-CB 4.39Å; P2172-D2200 VanDerWaalsContact N-OD2 3.08Å; D2200-D2202 VanDerWaalsContact C-N 3.31Å; D2200-D2202 WeakPolarHBondContact OD1-CB 3.39Å; D2200-D2202 PolarHBondContact OD1-N 2.96Å; D2200-D2202 VanDerWaalsContact OD1-N 3.13Å; D2200-P2205 HydrophobicContact CB-CB 3.67Å; D2200-P2205 HydrophobicContact CB-CG 3.76Å; D2200-P2205 WeakPolarHBondContact OD1-CB 3.37Å; D2200-P2205 WeakPolarHBondContact OD2-CB 2.99Å; D2200-L2207 HydrophobicContact CB-CD2 4.1Å; D2200-D2262 WeakPolarHBondContact OD2-CB 3.35Å
2201L80.4Confident83.8Confident120.6 Ų120.661.3 Ų61.363%0.63132%0.321SS*.  trans-95.4-15.5-169.6-71.4177.5000113.3R2134 E2135 S2170R2134-L2201 PolarHBondContact NH2-O 2.91Å; E2135-L2201 HydrophobicContact CG-CB 3.82Å; E2135-L2201 HydrophobicContact CG-CD1 4.36Å; S2170-L2201 WeakPolarHBondContact OG-CB 3.44Å; S2170-L2201 WeakPolarHBondContact OG-CD1 3.25Å
2202D81.6Confident83.7Confident23 Ų2362.8 Ų62.812%0.12333%0.327CS..SBendtrans-66.7170176.5-66.6-26.3000111.9N2168 D2169 S2170 D2200 N2204 P2205N2168-D2202 VanDerWaalsContact C-OD2 3.26Å; N2168-D2202 VanDerWaalsContact CA-CG 3.47Å; N2168-D2202 VanDerWaalsContact CA-OD2 3.28Å; N2168-D2202 WeakPolarHBondContact CA-OD2 3.3Å; N2168-D2202 HydrophobicContact CB-CB 4.36Å; N2168-D2202 WeakPolarHBondContact CB-OD2 3.45Å; N2168-D2202 PolarHBondContact ND2-OD2 3.4Å; N2168-D2202 VanDerWaalsContact OD1-CB 3.24Å; N2168-D2202 WeakPolarHBondContact OD1-CB 3.29Å; N2168-D2202 PolarHBondContact OD1-OD2 3.35Å; D2169-D2202 PolarHBondContact N-OD1 2.98Å; D2169-D2202 PolarHBondContact N-OD2 2.82Å; D2169-D2202 VanDerWaalsContact N-OD2 3.09Å; S2170-D2202 VanDerWaalsContact CB-OD1 3.24Å; S2170-D2202 WeakPolarHBondContact CB-OD1 3.22Å; S2170-D2202 WeakPolarHBondContact CB-OD2 3.46Å; S2170-D2202 PolarHBondContact N-OD1 3.2Å; S2170-D2202 VanDerWaalsContact N-OD1 3.11Å; S2170-D2202 PolarHBondContact N-OD2 2.78Å; S2170-D2202 PolarHBondContact OG-OD1 2.82Å; D2200-D2202 VanDerWaalsContact C-N 3.31Å; D2200-D2202 WeakPolarHBondContact OD1-CB 3.39Å; D2200-D2202 PolarHBondContact OD1-N 2.96Å; D2200-D2202 VanDerWaalsContact OD1-N 3.13Å; D2202-N2204 PolarHBondContact O-N 3.15Å; D2202-P2205 VanDerWaalsContact O-CD 3.25Å; D2202-P2205 WeakPolarHBondContact O-CD 3.3Å
2203L74.2Confident83.8Confident117 Ų11760.2 Ų60.261%0.61332%0.318SS*.SBendtrans-80.475.5-178-110.7104.9000113D2166 P2205D2166-L2203 HydrophobicContact CB-CB 4.23Å; D2166-L2203 HydrophobicContact CB-CD1 3.76Å; D2166-L2203 HydrophobicContact CB-CG 4.13Å; D2166-L2203 PolarHBondContact OD1-N 2.67Å; D2166-L2203 WeakPolarHBondContact OD2-CB 3.44Å; D2166-L2203 WeakPolarHBondContact OD2-CD2 2.92Å; D2166-L2203 PolarHBondContact OD2-N 2.76Å; L2203-P2205 VanDerWaalsContact C-CD 3.49Å
2204N72.6Confident83.9Confident132.6 Ų132.660.1 Ų60.171%0.70932%0.317SS*.SBendtrans100.868.6173.8-50.2-88.1000117.6D2202 A2264D2202-N2204 PolarHBondContact O-N 3.15Å; N2204-A2264 WeakPolarHBondContact O-CB 3.33Å
2205P72.4Confident84.1Confident47.6 Ų47.662.1 Ų62.131%0.30933%0.328SS..  trans-78.5161179.133.7-37.6000114P2172 D2200 D2202 L2203 L2207 D2262P2172-P2205 HydrophobicContact CB-CB 4.49Å; D2200-P2205 HydrophobicContact CB-CB 3.67Å; D2200-P2205 HydrophobicContact CB-CG 3.76Å; D2200-P2205 WeakPolarHBondContact OD1-CB 3.37Å; D2200-P2205 WeakPolarHBondContact OD2-CB 2.99Å; D2202-P2205 VanDerWaalsContact O-CD 3.25Å; D2202-P2205 WeakPolarHBondContact O-CD 3.3Å; L2203-P2205 VanDerWaalsContact C-CD 3.49Å; P2205-L2207 HydrophobicContact CB-CD2 4.09Å; P2205-L2207 HydrophobicContact CB-CG 4.32Å; P2205-D2262 WeakPolarHBondContact CA-OD1 3.42Å
2206K78Confident84.5Confident123 Ų12358 Ų5854%0.53531%0.307SS..  trans-130.399.7179.8-75.9179.5-167.4153.20111.4E2208 D2262 N2263 A2264K2206-E2208 IonicContact NZ-OE1 2.74Å; K2206-E2208 PolarHBondContact O-N 3.08Å; K2206-D2262 WeakPolarHBondContact CA-OD1 3.27Å; K2206-D2262 WeakPolarHBondContact CB-OD1 3.28Å; K2206-D2262 PolarHBondContact N-OD1 3Å; K2206-D2262 VanDerWaalsContact N-OD1 3.09Å; K2206-D2262 WeakPolarHBondContact O-CA 3.35Å; K2206-D2262 WeakPolarHBondContact O-CB 3.34Å; K2206-N2263 HydrophobicContact CB-CB 4.3Å; K2206-N2263 HydrophobicContact CD-CB 4.19Å; K2206-N2263 HydrophobicContact CG-CB 4.36Å; K2206-N2263 PolarHBondContact NZ-O 3.16Å; K2206-N2263 PolarHBondContact O-N 3.18Å; K2206-A2264 HydrophobicContact CB-CB 4.22Å; K2206-A2264 HydrophobicContact CD-CB 4.31Å; K2206-A2264 HydrophobicContact CG-CB 4.35Å; K2206-A2264 VanDerWaalsContact NZ-CA 3.27Å
2207L85Confident84.7Confident41.6 Ų41.659.9 Ų59.922%0.21832%0.315CS..EExtended strand (participates in β ladder)trans-94.8131.3-172.9-55.7-177.4000114.7P2172 A2198 D2200 P2205 Y2209 V2260 I2261 D2262P2172-L2207 HydrophobicContact CB-CD2 3.83Å; P2172-L2207 HydrophobicContact CG-CD2 3.86Å; A2198-L2207 HydrophobicContact CB-CD1 4.06Å; A2198-L2207 HydrophobicContact CB-CD2 3.3Å; A2198-L2207 HydrophobicContact CB-CG 3.89Å; D2200-L2207 HydrophobicContact CB-CD2 4.1Å; P2205-L2207 HydrophobicContact CB-CD2 4.09Å; P2205-L2207 HydrophobicContact CB-CG 4.32Å; L2207-Y2209 HydrophobicContact CB-CE2 4.41Å; L2207-Y2209 WeakPolarHBondContact CD1-OH 3.48Å; L2207-V2260 HydrophobicContact CB-CG2 3.79Å; L2207-V2260 HydrophobicContact CD1-CG2 4.48Å; L2207-V2260 HydrophobicContact CD2-CG1 4.13Å; L2207-V2260 HydrophobicContact CD2-CG2 4.11Å; L2207-V2260 HydrophobicContact CG-CG2 4.32Å; L2207-I2261 CarbonylContact C-O 3.54Å; L2207-I2261 VanDerWaalsContact CA-O 3.3Å; L2207-I2261 WeakPolarHBondContact CA-O 3.36Å; L2207-D2262 HydrophobicContact CD2-CB 4.07Å
2208E86.6Confident84.9Confident75.2 Ų75.259.2 Ų59.235%0.35131%0.309SS..EExtended strand (participates in β ladder)trans-127.6131.2171.3-70.7-174.8-167.200111.8K2206 H2210 I2235 V2260 I2261 N2263K2206-E2208 IonicContact NZ-OE1 2.74Å; K2206-E2208 PolarHBondContact O-N 3.08Å; E2208-H2210 PolarHBondContact O-CD2 2.97Å; E2208-I2235 WeakPolarHBondContact CA-O 3.24Å; E2208-I2235 HydrophobicContact CB-CD1 4.26Å; E2208-I2235 HydrophobicContact CB-CG1 3.85Å; E2208-I2235 HydrophobicContact CG-CD1 4.3Å; E2208-I2235 HydrophobicContact CG-CG1 4.06Å; E2208-I2235 WeakPolarHBondContact OE2-CD1 3.39Å; E2208-V2260 CarbonylContact O-C 3.56Å; E2208-V2260 VanDerWaalsContact O-CA 3.29Å; E2208-V2260 WeakPolarHBondContact O-CA 3.32Å; E2208-V2260 VanDerWaalsContact O-CG2 3.22Å; E2208-V2260 WeakPolarHBondContact O-CG2 3.26Å; E2208-I2261 PolarHBondContact N-O 3.03Å; E2208-I2261 PolarHBondContact O-N 3.03Å; E2208-N2263 PolarHBondContact OE1-ND2 2.98Å; E2208-N2263 PolarHBondContact OE2-ND2 2.85Å; E2208-N2263 VanDerWaalsContact OE2-ND2 3.15Å
2209Y90.3Very high84.8Confident19.6 Ų19.662.6 Ų62.68%0.07733%0.326CS..EExtended strand (participates in β ladder)trans-105.1140.8-171.3-59.1-95.3000114.4F2174 V2196 A2198 L2207 V2233 I2235 S2259 V2260F2174-Y2209 AromaticContact CE1-CD1 3.88Å; F2174-Y2209 HydrophobicContact CE1-CD1 4.04Å; F2174-Y2209 AromaticContact CE1-CE1 3.85Å; F2174-Y2209 HydrophobicContact CE1-CE1 3.95Å; F2174-Y2209 HydrophobicContact CZ-CD1 4.36Å; V2196-Y2209 VanDerWaalsContact O-CE1 3.31Å; V2196-Y2209 WeakPolarHBondContact O-CE1 3.37Å; A2198-Y2209 HydrophobicContact CB-CE1 4.09Å; A2198-Y2209 PolarHBondContact N-OH 2.92Å; L2207-Y2209 HydrophobicContact CB-CE2 4.41Å; L2207-Y2209 WeakPolarHBondContact CD1-OH 3.48Å; Y2209-V2233 WeakPolarHBondContact O-CG1 3.37Å; Y2209-I2235 WeakPolarHBondContact CD2-O 3.35Å; Y2209-I2235 PolarHBondContact N-O 3.29Å; Y2209-S2259 VanDerWaalsContact CA-O 3.3Å; Y2209-S2259 WeakPolarHBondContact CA-O 3.23Å; Y2209-V2260 HydrophobicContact CD1-CB 3.89Å; Y2209-V2260 HydrophobicContact CD1-CG2 3.88Å; Y2209-V2260 VanDerWaalsContact CD1-CG2 3.43Å; Y2209-V2260 HydrophobicContact CD2-CG2 4.34Å; Y2209-V2260 HydrophobicContact CE1-CB 4.02Å; Y2209-V2260 HydrophobicContact CE1-CG2 3.79Å; Y2209-V2260 VanDerWaalsContact CE1-CG2 3.42Å; Y2209-V2260 HydrophobicContact CE2-CG2 4.27Å; Y2209-V2260 HydrophobicContact CG-CB 4.42Å; Y2209-V2260 HydrophobicContact CG-CG2 4.26Å
2210H88.9Confident84.9Confident73.4 Ų73.463 Ų6334%0.3433%0.332SS..EExtended strand (participates in β ladder)trans-138.9154.5179.8-61.8-73000113.6E2208 L2258 S2259E2208-H2210 PolarHBondContact O-CD2 2.97Å; H2210-L2258 CarbonylContact O-C 3.48Å; H2210-L2258 VanDerWaalsContact O-CA 3.25Å; H2210-L2258 WeakPolarHBondContact O-CA 3.38Å; H2210-L2258 WeakPolarHBondContact O-CB 3.23Å; H2210-L2258 WeakPolarHBondContact O-CD2 3.25Å; H2210-L2258 WeakPolarHBondContact O-CG 3.03Å; H2210-S2259 PolarHBondContact N-O 2.9Å; H2210-S2259 PolarHBondContact O-N 2.8Å
2211I89.9Confident84.9Confident49.8 Ų49.867.3 Ų67.326%0.25535%0.354SS..EExtended strand (participates in β ladder)trans-95.8133.4167.6-73169.6000108.9I2214 F2231 V2233 V2256 T2257 L2258I2211-I2214 HydrophobicContact CD1-CD1 4.47Å; I2211-I2214 HydrophobicContact CG2-CD1 4.2Å; I2211-I2214 HydrophobicContact CG2-CG1 3.8Å; I2211-F2231 HydrophobicContact CD1-CB 4.47Å; I2211-V2233 HydrophobicContact CB-CB 4.49Å; I2211-V2233 HydrophobicContact CB-CG1 3.71Å; I2211-V2233 HydrophobicContact CD1-CB 3.91Å; I2211-V2233 HydrophobicContact CD1-CG1 4.06Å; I2211-V2233 HydrophobicContact CG1-CB 3.95Å; I2211-V2233 HydrophobicContact CG1-CG1 3.75Å; I2211-V2233 HydrophobicContact CG1-CG2 4.5Å; I2211-V2256 HydrophobicContact CD1-CG1 4.03Å; I2211-V2256 HydrophobicContact CG1-CG1 4Å; I2211-V2256 HydrophobicContact CG2-CG1 4.03Å; I2211-T2257 CarbonylContact C-O 3.52Å; I2211-T2257 WeakPolarHBondContact CA-O 3.3Å; I2211-L2258 HydrophobicContact CG1-CD2 3.94Å; I2211-L2258 HydrophobicContact CG1-CG 4.13Å
2212I88Confident85Confident91.2 Ų91.269.8 Ų69.847%0.46836%0.355SS..EExtended strand (participates in β ladder)trans-95.1-44.5178.6-63.7168.2000111.5T2257 S2259 N2276I2212-T2257 HydrophobicContact CB-CG2 4.31Å; I2212-T2257 HydrophobicContact CD1-CG2 4.13Å; I2212-T2257 PolarHBondContact N-O 3.03Å; I2212-S2259 WeakPolarHBondContact CG1-OG 3.11Å; I2212-N2276 HydrophobicContact CD1-CB 4.04Å; I2212-N2276 VanDerWaalsContact CD1-CG 3.44Å; I2212-N2276 WeakPolarHBondContact CD1-ND2 3.33Å; I2212-N2276 VanDerWaalsContact CD1-OD1 3.29Å; I2212-N2276 WeakPolarHBondContact CD1-OD1 3.35Å
2213S90.6Very high85.3Confident49 Ų4974.7 Ų74.734%0.34338%0.381SS..EExtended strand (participates in β ladder)trans-158.5152.8-176.959.70000111.6V2256 T2257S2213-V2256 VanDerWaalsContact O-CA 3.31Å; S2213-V2256 WeakPolarHBondContact O-CA 3.27Å; S2213-T2257 PolarHBondContact O-N 2.98Å; S2213-T2257 PolarHBondContact OG-OG1 2.84Å
2214I92.4Very high85.9Confident22.6 Ų22.670.2 Ų70.212%0.11636%0.359CS..EExtended strand (participates in β ladder)trans-126125.5170.7-60.6-179.1000107.1I2211 E2228 F2231 Y2254 E2255 V2256I2211-I2214 HydrophobicContact CD1-CD1 4.47Å; I2211-I2214 HydrophobicContact CG2-CD1 4.2Å; I2211-I2214 HydrophobicContact CG2-CG1 3.8Å; I2214-E2228 WeakPolarHBondContact CD1-O 3.42Å; I2214-F2231 HydrophobicContact CD1-CB 3.93Å; I2214-F2231 HydrophobicContact CD1-CD2 4.21Å; I2214-F2231 HydrophobicContact CG2-CD2 4.38Å; I2214-Y2254 HydrophobicContact CG2-CD1 3.75Å; I2214-Y2254 HydrophobicContact CG2-CE1 4.19Å; I2214-E2255 CarbonylContact C-O 3.58Å; I2214-E2255 WeakPolarHBondContact CA-O 3.33Å; I2214-V2256 HydrophobicContact CD1-CG2 4.37Å; I2214-V2256 HydrophobicContact CG1-CB 4.48Å; I2214-V2256 HydrophobicContact CG1-CG1 4.2Å; I2214-V2256 HydrophobicContact CG1-CG2 4.19Å; I2214-V2256 HydrophobicContact CG2-CG2 4.39Å
2215V91.8Very high86.6Confident50 Ų5068.5 Ų68.530%0.30335%0.354SS..EExtended strand (participates in β ladder)trans-120.6120177.4169.40000109.2L2223 Y2254 E2255V2215-L2223 HydrophobicContact CB-CD2 4.49Å; V2215-L2223 HydrophobicContact CG1-CD2 3.45Å; V2215-Y2254 CarbonylContact O-C 3.52Å; V2215-Y2254 VanDerWaalsContact O-CA 3.27Å; V2215-Y2254 WeakPolarHBondContact O-CA 3.27Å; V2215-E2255 HydrophobicContact CB-CB 4.35Å; V2215-E2255 HydrophobicContact CG1-CB 4.47Å; V2215-E2255 PolarHBondContact N-O 3.07Å; V2215-E2255 PolarHBondContact O-N 3.04Å
2216A92.5Very high87.1Confident4.8 Ų4.873.6 Ų73.64%0.0438%0.379CS..EExtended strand (participates in β ladder)trans-99.1141.218000000111.6L2223 V2224 Q2227 V2251 Y2254A2216-L2223 WeakPolarHBondContact O-CA 3.29Å; A2216-V2224 HydrophobicContact CB-CB 4.19Å; A2216-V2224 PolarHBondContact O-N 2.88Å; A2216-V2224 VanDerWaalsContact O-N 3.1Å; A2216-Q2227 HydrophobicContact CB-CB 3.47Å; A2216-Q2227 VanDerWaalsContact CB-CB 3.41Å; A2216-Q2227 HydrophobicContact CB-CG 3.68Å; A2216-V2251 HydrophobicContact CB-CG1 3.78Å; A2216-V2251 HydrophobicContact CB-CG2 4.17Å; A2216-Y2254 HydrophobicContact CB-CD1 3.76Å; A2216-Y2254 HydrophobicContact CB-CE1 3.68Å; A2216-Y2254 HydrophobicContact CB-CG 4.37Å
2217K90.7Very high87.6Confident43.4 Ų43.469.6 Ų69.619%0.18936%0.362CS..EExtended strand (participates in β ladder)trans-135.8142.5179.4-54.3-177.2-173.6170.90112.8D2221 R2222 L2223 V2251 A2252 T2253 E2255K2217-D2221 HydrophobicContact CD-CB 4.44Å; K2217-D2221 WeakPolarHBondContact CD-OD1 3.25Å; K2217-D2221 WeakPolarHBondContact CE-OD1 3.37Å; K2217-D2221 IonicContact NZ-OD1 3.28Å; K2217-D2221 PolarHBondContact NZ-OD1 2.88Å; K2217-R2222 CarbonylContact C-O 3.51Å; K2217-R2222 VanDerWaalsContact CA-O 3.26Å; K2217-R2222 WeakPolarHBondContact CA-O 3.3Å; K2217-L2223 HydrophobicContact CG-CD2 4.37Å; K2217-V2251 VanDerWaalsContact O-CG1 3.26Å; K2217-V2251 WeakPolarHBondContact O-CG1 3.36Å; K2217-A2252 PolarHBondContact O-N 3.15Å; K2217-T2253 PolarHBondContact N-O 3.03Å; K2217-T2253 PolarHBondContact O-N 3.05Å; K2217-T2253 VanDerWaalsContact O-N 3.1Å; K2217-E2255 WeakPolarHBondContact CE-OE1 3.4Å; K2217-E2255 IonicContact NZ-OE1 3.28Å; K2217-E2255 PolarHBondContact NZ-OE1 2.97Å; K2217-E2255 IonicContact NZ-OE2 3.44Å
2218D88.4Confident87.6Confident45.8 Ų45.875.1 Ų75.125%0.24539%0.387CS..  trans-77.5179.6170.773.212.8000112.5T2220 D2221 R2222 V2224D2218-T2220 VanDerWaalsContact CG-OG1 3.3Å; D2218-T2220 PolarHBondContact O-N 3.01Å; D2218-T2220 VanDerWaalsContact O-N 3.14Å; D2218-T2220 VanDerWaalsContact OD1-C 3.29Å; D2218-T2220 VanDerWaalsContact OD1-CA 3.25Å; D2218-T2220 WeakPolarHBondContact OD1-CA 3.37Å; D2218-T2220 WeakPolarHBondContact OD1-CB 3.3Å; D2218-T2220 PolarHBondContact OD1-N 2.99Å; D2218-T2220 PolarHBondContact OD1-OG1 2.86Å; D2218-T2220 PolarHBondContact OD2-OG1 3.01Å; D2218-D2221 PolarHBondContact O-N 3.11Å; D2218-D2221 VanDerWaalsContact O-N 3.15Å; D2218-D2221 PolarHBondContact OD1-N 3.09Å; D2218-R2222 PolarHBondContact N-O 3.13Å; D2218-R2222 WeakPolarHBondContact OD1-CB 3.37Å; D2218-R2222 PolarHBondContact OD1-N 3.06Å; D2218-R2222 WeakPolarHBondContact OD2-CB 3.17Å; D2218-V2224 HydrophobicContact CB-CG2 4.08Å
2219D82.2Confident87.6Confident84 Ų8476.4 Ų76.445%0.44940%0.396SS..THydrogen-bonded Turntrans-61.6-10.4177.3-72.2-52.1000114.1R2248 A2252 K2325D2219-R2248 IonicContact OD1-CZ 3.33Å; D2219-R2248 IonicContact OD1-NH1 3.02Å; D2219-R2248 PolarHBondContact OD1-NH1 3.1Å; D2219-R2248 VanDerWaalsContact OD1-NH1 3.11Å; D2219-R2248 IonicContact OD2-CZ 3.5Å; D2219-R2248 IonicContact OD2-NH1 3.39Å; D2219-R2248 PolarHBondContact OD2-NH1 2.95Å; D2219-R2248 IonicContact OD2-NH2 3.63Å; D2219-R2248 PolarHBondContact OD2-NH2 3.16Å; D2219-A2252 HydrophobicContact CB-CB 4.48Å; D2219-A2252 VanDerWaalsContact OD1-CB 3.3Å; D2219-A2252 WeakPolarHBondContact OD1-CB 3.26Å; D2219-K2325 IonicContact OD1-NZ 3.6Å; D2219-K2325 PolarHBondContact OD1-NZ 2.96Å; D2219-K2325 VanDerWaalsContact OD2-CE 3.28Å; D2219-K2325 WeakPolarHBondContact OD2-CE 3.32Å; D2219-K2325 IonicContact OD2-NZ 2.99Å; D2219-K2325 PolarHBondContact OD2-NZ 3.1Å; D2219-K2325 VanDerWaalsContact OD2-NZ 3.16Å
2220T83.7Confident87.6Confident85.8 Ų85.875.5 Ų75.553%0.52639%0.393SS..THydrogen-bonded Turntrans-108.817.5179.470.30000112.9D2218 R2222D2218-T2220 VanDerWaalsContact CG-OG1 3.3Å; D2218-T2220 PolarHBondContact O-N 3.01Å; D2218-T2220 VanDerWaalsContact O-N 3.14Å; D2218-T2220 VanDerWaalsContact OD1-C 3.29Å; D2218-T2220 VanDerWaalsContact OD1-CA 3.25Å; D2218-T2220 WeakPolarHBondContact OD1-CA 3.37Å; D2218-T2220 WeakPolarHBondContact OD1-CB 3.3Å; D2218-T2220 PolarHBondContact OD1-N 2.99Å; D2218-T2220 PolarHBondContact OD1-OG1 2.86Å; D2218-T2220 PolarHBondContact OD2-OG1 3.01Å; T2220-R2222 PolarHBondContact O-N 2.97Å; T2220-R2222 VanDerWaalsContact O-N 3.11Å; T2220-R2222 VanDerWaalsContact OG1-CD 3.28Å; T2220-R2222 WeakPolarHBondContact OG1-CD 3.33Å; T2220-R2222 VanDerWaalsContact OG1-CG 3.31Å; T2220-R2222 WeakPolarHBondContact OG1-CG 3.38Å
2221D81.6Confident87.8Confident112.8 Ų112.872.4 Ų72.460%0.60338%0.378SS*.SBendtrans61.314.2-176.3-110.4-43.1000113.9K2217 D2218K2217-D2221 HydrophobicContact CD-CB 4.44Å; K2217-D2221 WeakPolarHBondContact CD-OD1 3.25Å; K2217-D2221 WeakPolarHBondContact CE-OD1 3.37Å; K2217-D2221 IonicContact NZ-OD1 3.28Å; K2217-D2221 PolarHBondContact NZ-OD1 2.88Å; D2218-D2221 PolarHBondContact O-N 3.11Å; D2218-D2221 VanDerWaalsContact O-N 3.15Å; D2218-D2221 PolarHBondContact OD1-N 3.09Å
2222R84.2Confident87.9Confident173.4 Ų173.471.5 Ų71.565%0.65438%0.379SS*.PPolyproline II helixtrans-82.1140.1177.7-64.6174.6174.9-171.2-1.1110.7K2217 D2218 T2220 V2224K2217-R2222 CarbonylContact C-O 3.51Å; K2217-R2222 VanDerWaalsContact CA-O 3.26Å; K2217-R2222 WeakPolarHBondContact CA-O 3.3Å; D2218-R2222 PolarHBondContact N-O 3.13Å; D2218-R2222 WeakPolarHBondContact OD1-CB 3.37Å; D2218-R2222 PolarHBondContact OD1-N 3.06Å; D2218-R2222 WeakPolarHBondContact OD2-CB 3.17Å; T2220-R2222 PolarHBondContact O-N 2.97Å; T2220-R2222 VanDerWaalsContact O-N 3.11Å; T2220-R2222 VanDerWaalsContact OG1-CD 3.28Å; T2220-R2222 WeakPolarHBondContact OG1-CD 3.33Å; T2220-R2222 VanDerWaalsContact OG1-CG 3.31Å; T2220-R2222 WeakPolarHBondContact OG1-CG 3.38Å; R2222-V2224 PolarHBondContact O-N 2.9Å
2223L86.5Confident88.1Confident126.2 Ų126.268.7 Ų68.766%0.66137%0.366SS*.BIsolated β-bridgetrans-67.1126.3-180-65.6172.9000111.6V2215 A2216 K2217V2215-L2223 HydrophobicContact CB-CD2 4.49Å; V2215-L2223 HydrophobicContact CG1-CD2 3.45Å; A2216-L2223 WeakPolarHBondContact O-CA 3.29Å; K2217-L2223 HydrophobicContact CG-CD2 4.37Å
2224V88Confident88Confident23.4 Ų23.469.4 Ų69.414%0.14237%0.366CS..EExtended strand (participates in β ladder)trans-97.4116.2174.7-175.10000108.8A2216 D2218 R2222 Q2227 L2250 V2251A2216-V2224 HydrophobicContact CB-CB 4.19Å; A2216-V2224 PolarHBondContact O-N 2.88Å; A2216-V2224 VanDerWaalsContact O-N 3.1Å; D2218-V2224 HydrophobicContact CB-CG2 4.08Å; R2222-V2224 PolarHBondContact O-N 2.9Å; V2224-Q2227 HydrophobicContact CB-CG 4.27Å; V2224-Q2227 HydrophobicContact CG1-CG 3.88Å; V2224-L2250 HydrophobicContact CG1-CD1 4.23Å; V2224-L2250 HydrophobicContact CG1-CD2 4.32Å; V2224-L2250 HydrophobicContact CG1-CG 4.05Å; V2224-L2250 WeakPolarHBondContact CG2-O 3.37Å; V2224-V2251 HydrophobicContact CB-CG2 4.12Å; V2224-V2251 HydrophobicContact CG1-CG2 3.97Å; V2224-V2251 HydrophobicContact CG2-CG2 4.19Å
2225P85.9Confident87.8Confident95 Ų9571.7 Ų71.762%0.61738%0.377SS*.THydrogen-bonded Turntrans-72.4166.7-179.230.5-35.1000112.6Q2227P2225-Q2227 VanDerWaalsContact C-N 3.27Å; P2225-Q2227 WeakPolarHBondContact O-CG 3.49Å; P2225-Q2227 PolarHBondContact O-N 2.95Å; P2225-Q2227 PolarHBondContact O-NE2 3.15Å
2226D84.2Confident87.5Confident154.6 Ų154.675.2 Ų75.283%0.82739%0.394SS*.THydrogen-bonded Turntrans63.224.9174.4-53.2-36000115.5
2227Q88.3Confident87.1Confident39.6 Ų39.678 Ų7819%0.18541%0.411CS..  trans-106.912.7-179.5-60-57.1-48.700114.7A2216 V2224 P2225 D2229 A2230 V2251 Y2254A2216-Q2227 HydrophobicContact CB-CB 3.47Å; A2216-Q2227 VanDerWaalsContact CB-CB 3.41Å; A2216-Q2227 HydrophobicContact CB-CG 3.68Å; V2224-Q2227 HydrophobicContact CB-CG 4.27Å; V2224-Q2227 HydrophobicContact CG1-CG 3.88Å; P2225-Q2227 VanDerWaalsContact C-N 3.27Å; P2225-Q2227 WeakPolarHBondContact O-CG 3.49Å; P2225-Q2227 PolarHBondContact O-N 2.95Å; P2225-Q2227 PolarHBondContact O-NE2 3.15Å; Q2227-D2229 PolarHBondContact O-N 3.14Å; Q2227-D2229 VanDerWaalsContact O-N 3.14Å; Q2227-A2230 WeakPolarHBondContact O-CB 3.3Å; Q2227-A2230 PolarHBondContact O-N 2.86Å; Q2227-V2251 HydrophobicContact CG-CG2 4.08Å; Q2227-Y2254 HydrophobicContact CB-CE1 3.93Å; Q2227-Y2254 PolarHBondContact OE1-OH 3.16Å
2228E85.3Confident86.9Confident158 Ų15875.9 Ų75.974%0.73840%0.402SS*.THydrogen-bonded Turntrans-63.9-20.4-175.2-61.4177.6168.100113.7I2214 A2230I2214-E2228 WeakPolarHBondContact CD1-O 3.42Å; E2228-A2230 PolarHBondContact O-N 3.14Å
2229D86.8Confident87Confident101.8 Ų101.874.5 Ų74.554%0.54440%0.396SS..THydrogen-bonded Turntrans-100.313.1-172.6-115.511000113.7Q2227 F2231 K2243Q2227-D2229 PolarHBondContact O-N 3.14Å; Q2227-D2229 VanDerWaalsContact O-N 3.14Å; D2229-F2231 PolarHBondContact O-N 3Å; D2229-K2243 VanDerWaalsContact CG-CE 3.46Å; D2229-K2243 WeakPolarHBondContact O-CB 3.38Å; D2229-K2243 VanDerWaalsContact O-CD 3.29Å; D2229-K2243 WeakPolarHBondContact O-CD 3.3Å; D2229-K2243 WeakPolarHBondContact O-CE 3.49Å; D2229-K2243 VanDerWaalsContact O-CG 3.29Å; D2229-K2243 WeakPolarHBondContact O-CG 3.32Å; D2229-K2243 IonicContact OD1-NZ 3.06Å; D2229-K2243 PolarHBondContact OD1-NZ 3.07Å; D2229-K2243 WeakPolarHBondContact OD2-CE 3.31Å; D2229-K2243 IonicContact OD2-NZ 2.75Å; D2229-K2243 PolarHBondContact OD2-NZ 2.99Å
2230A89.5Confident87.4Confident0.6 Ų0.670.5 Ų70.51%0.00537%0.374CS..SBendtrans-69.2-32.2-173.300000115Q2227 E2228 V2242 K2243 S2244 L2246 Y2254Q2227-A2230 WeakPolarHBondContact O-CB 3.3Å; Q2227-A2230 PolarHBondContact O-N 2.86Å; E2228-A2230 PolarHBondContact O-N 3.14Å; A2230-V2242 CarbonylContact O-C 3.59Å; A2230-K2243 WeakPolarHBondContact O-CB 3.36Å; A2230-K2243 PolarHBondContact O-N 3.14Å; A2230-S2244 WeakPolarHBondContact CA-OG 3.28Å; A2230-S2244 PolarHBondContact O-N 3.19Å; A2230-L2246 HydrophobicContact CB-CD2 4.42Å; A2230-Y2254 HydrophobicContact CB-CD1 4.14Å; A2230-Y2254 HydrophobicContact CB-CE1 3.45Å; A2230-Y2254 VanDerWaalsContact CB-CE1 3.46Å
2231F93.5Very high87.8Confident7.8 Ų7.869.1 Ų69.13%0.03436%0.362CS..EExtended strand (participates in β ladder)trans-131.9156.9-177.5-55.9-77.2000113I2193 I2211 I2214 D2229 V2240 M2241 V2242 L2246 Y2254 V2256 V2281I2193-F2231 HydrophobicContact CD1-CD1 3.64Å; I2193-F2231 HydrophobicContact CD1-CE1 3.57Å; I2193-F2231 HydrophobicContact CD1-CG 4.48Å; I2193-F2231 HydrophobicContact CD1-CZ 4.4Å; I2211-F2231 HydrophobicContact CD1-CB 4.47Å; I2214-F2231 HydrophobicContact CD1-CB 3.93Å; I2214-F2231 HydrophobicContact CD1-CD2 4.21Å; I2214-F2231 HydrophobicContact CG2-CD2 4.38Å; D2229-F2231 PolarHBondContact O-N 3Å; F2231-V2240 HydrophobicContact CB-CG1 4.09Å; F2231-V2240 HydrophobicContact CG-CG1 4.47Å; F2231-M2241 CarbonylContact C-O 3.53Å; F2231-M2241 VanDerWaalsContact CA-O 3.29Å; F2231-M2241 WeakPolarHBondContact CA-O 3.35Å; F2231-V2242 HydrophobicContact CD1-CG2 4.41Å; F2231-V2242 HydrophobicContact CE1-CG2 4.18Å; F2231-L2246 HydrophobicContact CE1-CD1 4.44Å; F2231-L2246 HydrophobicContact CE1-CD2 4.4Å; F2231-L2246 HydrophobicContact CZ-CD1 4.48Å; F2231-L2246 HydrophobicContact CZ-CD2 4.12Å; F2231-Y2254 HydrophobicContact CD2-CD1 4.44Å; F2231-Y2254 AromaticContact CE2-CD1 3.76Å; F2231-Y2254 HydrophobicContact CE2-CD1 3.76Å; F2231-Y2254 AromaticContact CE2-CD2 3.9Å; F2231-Y2254 HydrophobicContact CE2-CD2 3.9Å; F2231-Y2254 HydrophobicContact CE2-CE1 4.24Å; F2231-Y2254 HydrophobicContact CE2-CE2 4.39Å; F2231-Y2254 AromaticContact CE2-CG 3.56Å; F2231-Y2254 HydrophobicContact CE2-CG 3.56Å; F2231-Y2254 VanDerWaalsContact CE2-CG 3.49Å; F2231-Y2254 AromaticContact CZ-CD2 3.99Å; F2231-Y2254 HydrophobicContact CZ-CD2 4.14Å; F2231-Y2254 HydrophobicContact CZ-CE2 4.44Å; F2231-Y2254 HydrophobicContact CZ-CG 4.25Å; F2231-V2256 HydrophobicContact CD2-CG2 3.73Å; F2231-V2256 HydrophobicContact CE2-CG2 4.28Å; F2231-V2256 HydrophobicContact CG-CG2 4.36Å; F2231-V2281 HydrophobicContact CE1-CB 4.46Å; F2231-V2281 HydrophobicContact CE1-CG1 4.18Å; F2231-V2281 HydrophobicContact CE1-CG2 4.32Å; F2231-V2281 HydrophobicContact CE2-CB 4.41Å; F2231-V2281 HydrophobicContact CE2-CG1 4.49Å; F2231-V2281 HydrophobicContact CE2-CG2 4.35Å; F2231-V2281 HydrophobicContact CZ-CB 4.07Å; F2231-V2281 HydrophobicContact CZ-CG1 3.8Å; F2231-V2281 HydrophobicContact CZ-CG2 4.19Å
2232A91.1Very high88.4Confident32.2 Ų32.263.8 Ų63.827%0.26633%0.334SS..EExtended strand (participates in β ladder)trans-130.8156.6170.500000110.5V2240 M2241 K2243A2232-V2240 CarbonylContact O-C 3.54Å; A2232-V2240 VanDerWaalsContact O-CA 3.25Å; A2232-V2240 WeakPolarHBondContact O-CA 3.33Å; A2232-V2240 WeakPolarHBondContact O-CG1 3.46Å; A2232-M2241 HydrophobicContact CB-CE 4.32Å; A2232-M2241 HydrophobicContact CB-CG 4.16Å; A2232-M2241 PolarHBondContact N-O 3.04Å; A2232-M2241 WeakPolarHBondContact O-CG 3.22Å; A2232-M2241 PolarHBondContact O-N 3.01Å; A2232-K2243 HydrophobicContact CB-CB 4.24Å; A2232-K2243 HydrophobicContact CB-CD 4.3Å
2233V92.3Very high88.6Confident31.4 Ų31.460.4 Ų60.419%0.1932%0.324CS..EExtended strand (participates in β ladder)trans-117.2142.5173.467.80000111.1Y2209 I2211 I2235 S2239 V2240 L2258Y2209-V2233 WeakPolarHBondContact O-CG1 3.37Å; I2211-V2233 HydrophobicContact CB-CB 4.49Å; I2211-V2233 HydrophobicContact CB-CG1 3.71Å; I2211-V2233 HydrophobicContact CD1-CB 3.91Å; I2211-V2233 HydrophobicContact CD1-CG1 4.06Å; I2211-V2233 HydrophobicContact CG1-CB 3.95Å; I2211-V2233 HydrophobicContact CG1-CG1 3.75Å; I2211-V2233 HydrophobicContact CG1-CG2 4.5Å; V2233-I2235 PolarHBondContact O-N 3Å; V2233-S2239 CarbonylContact C-O 3.55Å; V2233-S2239 VanDerWaalsContact CA-O 3.3Å; V2233-S2239 WeakPolarHBondContact CA-O 3.34Å; V2233-V2240 HydrophobicContact CB-CG2 4.4Å; V2233-V2240 HydrophobicContact CG2-CG2 4.09Å; V2233-L2258 HydrophobicContact CB-CD2 4.14Å; V2233-L2258 HydrophobicContact CG1-CD2 4.5Å; V2233-L2258 HydrophobicContact CG2-CD2 3.94Å
2234N89.5Confident88.7Confident63.8 Ų63.855.9 Ų55.934%0.34130%0.304SS..  trans-80.5112.3169.6-176.8-27.2000110N2236 T2237 G2238 S2239 M2241N2234-N2236 VanDerWaalsContact C-N 3.33Å; N2234-N2236 PolarHBondContact O-N 2.95Å; N2234-N2236 VanDerWaalsContact O-N 3.16Å; N2234-N2236 PolarHBondContact OD1-N 3.2Å; N2234-N2236 VanDerWaalsContact OD1-N 3.12Å; N2234-T2237 VanDerWaalsContact CB-OG1 3.28Å; N2234-T2237 WeakPolarHBondContact CB-OG1 3.3Å; N2234-T2237 VanDerWaalsContact CG-OG1 3.27Å; N2234-T2237 PolarHBondContact ND2-OG1 3.08Å; N2234-T2237 VanDerWaalsContact ND2-OG1 3.15Å; N2234-T2237 PolarHBondContact O-N 3.09Å; N2234-T2237 VanDerWaalsContact O-N 3.11Å; N2234-T2237 PolarHBondContact OD1-N 3.26Å; N2234-T2237 PolarHBondContact OD1-OG1 2.97Å; N2234-G2238 PolarHBondContact O-N 3.23Å; N2234-S2239 PolarHBondContact N-O 3.15Å; N2234-M2241 HydrophobicContact CB-CE 4.19Å
2235I88.5Confident88.7Confident70.8 Ų70.859.7 Ų59.736%0.36333%0.328SS..THydrogen-bonded Turntrans-54.2-29.3-175-168.1170000114.6E2208 Y2209 V2233E2208-I2235 WeakPolarHBondContact CA-O 3.24Å; E2208-I2235 HydrophobicContact CB-CD1 4.26Å; E2208-I2235 HydrophobicContact CB-CG1 3.85Å; E2208-I2235 HydrophobicContact CG-CD1 4.3Å; E2208-I2235 HydrophobicContact CG-CG1 4.06Å; E2208-I2235 WeakPolarHBondContact OE2-CD1 3.39Å; Y2209-I2235 WeakPolarHBondContact CD2-O 3.35Å; Y2209-I2235 PolarHBondContact N-O 3.29Å; V2233-I2235 PolarHBondContact O-N 3Å
2236N84.8Confident88.9Confident123.2 Ų123.255.9 Ų55.966%0.65930%0.303SS*.THydrogen-bonded Turntrans-96.4-14.7-176.7-64.6-23.1000114N2234N2234-N2236 VanDerWaalsContact C-N 3.33Å; N2234-N2236 PolarHBondContact O-N 2.95Å; N2234-N2236 VanDerWaalsContact O-N 3.16Å; N2234-N2236 PolarHBondContact OD1-N 3.2Å; N2234-N2236 VanDerWaalsContact OD1-N 3.12Å
2237T85.1Confident89.2Confident64.6 Ų64.651.6 Ų51.640%0.39628%0.28SS..THydrogen-bonded Turntrans-128.7-8.4-169.6660000114.5N2234 S2239N2234-T2237 VanDerWaalsContact CB-OG1 3.28Å; N2234-T2237 WeakPolarHBondContact CB-OG1 3.3Å; N2234-T2237 VanDerWaalsContact CG-OG1 3.27Å; N2234-T2237 PolarHBondContact ND2-OG1 3.08Å; N2234-T2237 VanDerWaalsContact ND2-OG1 3.15Å; N2234-T2237 PolarHBondContact O-N 3.09Å; N2234-T2237 VanDerWaalsContact O-N 3.11Å; N2234-T2237 PolarHBondContact OD1-N 3.26Å; N2234-T2237 PolarHBondContact OD1-OG1 2.97Å; T2237-S2239 WeakPolarHBondContact CB-OG 3.5Å; T2237-S2239 PolarHBondContact O-N 2.96Å; T2237-S2239 VanDerWaalsContact O-N 3.16Å; T2237-S2239 VanDerWaalsContact OG1-CB 3.3Å; T2237-S2239 WeakPolarHBondContact OG1-CB 3.35Å; T2237-S2239 PolarHBondContact OG1-N 3.2Å; T2237-S2239 PolarHBondContact OG1-OG 3.01Å
2238G86Confident89.3Confident0 Ų050.3 Ų50.30%027%0.273CS..  trans66.313.2-175.400000114.1N2195 V2196 N2234 V2240N2195-G2238 WeakPolarHBondContact CA-O 3.47Å; V2196-G2238 PolarHBondContact N-O 3.16Å; V2196-G2238 VanDerWaalsContact N-O 3.12Å; V2196-G2238 WeakPolarHBondContact O-CA 3.25Å; N2234-G2238 PolarHBondContact O-N 3.23Å; G2238-V2240 PolarHBondContact O-N 3.17Å
2239S90Very high89.4Confident14.8 Ų14.845.3 Ų45.310%0.10325%0.25CC..EExtended strand (participates in β ladder)trans-77.1116.3-179.8-550000110.6A2194 N2195 V2233 N2234 T2237A2194-S2239 CarbonylContact O-C 3.57Å; A2194-S2239 VanDerWaalsContact O-CA 3.23Å; A2194-S2239 WeakPolarHBondContact O-CA 3.31Å; N2195-S2239 WeakPolarHBondContact OD1-CA 3.33Å; N2195-S2239 VanDerWaalsContact OD1-CB 3.3Å; N2195-S2239 WeakPolarHBondContact OD1-CB 3.39Å; N2195-S2239 PolarHBondContact OD1-OG 3.07Å; V2233-S2239 CarbonylContact C-O 3.55Å; V2233-S2239 VanDerWaalsContact CA-O 3.3Å; V2233-S2239 WeakPolarHBondContact CA-O 3.34Å; N2234-S2239 PolarHBondContact N-O 3.15Å; T2237-S2239 WeakPolarHBondContact CB-OG 3.5Å; T2237-S2239 PolarHBondContact O-N 2.96Å; T2237-S2239 VanDerWaalsContact O-N 3.16Å; T2237-S2239 VanDerWaalsContact OG1-CB 3.3Å; T2237-S2239 WeakPolarHBondContact OG1-CB 3.35Å; T2237-S2239 PolarHBondContact OG1-N 3.2Å; T2237-S2239 PolarHBondContact OG1-OG 3.01Å
2240V91.3Very high89.4Confident0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-90.8136.3176.7-172.70000109.6I2192 I2193 A2194 V2196 F2231 A2232 V2233 G2238 L2258 L2279I2192-V2240 CarbonylContact C-O 3.46Å; I2192-V2240 WeakPolarHBondContact CA-O 3.31Å; I2192-V2240 WeakPolarHBondContact CG2-O 3.46Å; I2193-V2240 HydrophobicContact CD1-CG1 4.03Å; I2193-V2240 HydrophobicContact CG1-CB 4.16Å; I2193-V2240 HydrophobicContact CG1-CG1 4.07Å; I2193-V2240 VanDerWaalsContact CG1-O 3.27Å; I2193-V2240 WeakPolarHBondContact CG1-O 3.38Å; I2193-V2240 PolarHBondContact N-O 3.06Å; A2194-V2240 HydrophobicContact CB-CB 4.31Å; A2194-V2240 HydrophobicContact CB-CG2 4.48Å; A2194-V2240 PolarHBondContact N-O 2.83Å; A2194-V2240 PolarHBondContact O-N 3.13Å; V2196-V2240 HydrophobicContact CG2-CG2 4.04Å; F2231-V2240 HydrophobicContact CB-CG1 4.09Å; F2231-V2240 HydrophobicContact CG-CG1 4.47Å; A2232-V2240 CarbonylContact O-C 3.54Å; A2232-V2240 VanDerWaalsContact O-CA 3.25Å; A2232-V2240 WeakPolarHBondContact O-CA 3.33Å; A2232-V2240 WeakPolarHBondContact O-CG1 3.46Å; V2233-V2240 HydrophobicContact CB-CG2 4.4Å; V2233-V2240 HydrophobicContact CG2-CG2 4.09Å; G2238-V2240 PolarHBondContact O-N 3.17Å; V2240-L2258 HydrophobicContact CG2-CD1 4.46Å; V2240-L2258 HydrophobicContact CG2-CD2 3.76Å; V2240-L2279 HydrophobicContact CB-CD2 3.92Å; V2240-L2279 HydrophobicContact CG1-CD2 3.94Å; V2240-L2279 HydrophobicContact CG2-CD2 3.83Å
2241M92.3Very high89.4Confident56.8 Ų56.844.7 Ų44.728%0.2825%0.246SC..EExtended strand (participates in β ladder)trans-138.4149.9-173.859.9-172.2106.400112.7G2190 T2191 I2192 F2231 A2232 N2234 K2243G2190-M2241 WeakPolarHBondContact O-CE 3.31Å; T2191-M2241 CarbonylContact O-C 3.55Å; T2191-M2241 WeakPolarHBondContact O-CA 3.33Å; T2191-M2241 WeakPolarHBondContact O-CB 3.4Å; I2192-M2241 HydrophobicContact CG1-CB 4.31Å; F2231-M2241 CarbonylContact C-O 3.53Å; F2231-M2241 VanDerWaalsContact CA-O 3.29Å; F2231-M2241 WeakPolarHBondContact CA-O 3.35Å; A2232-M2241 HydrophobicContact CB-CE 4.32Å; A2232-M2241 HydrophobicContact CB-CG 4.16Å; A2232-M2241 PolarHBondContact N-O 3.04Å; A2232-M2241 WeakPolarHBondContact O-CG 3.22Å; A2232-M2241 PolarHBondContact O-N 3.01Å; N2234-M2241 HydrophobicContact CB-CE 4.19Å; M2241-K2243 PolarHBondContact O-N 3.4Å
2242V92.4Very high89.2Confident1.8 Ų1.844.9 Ų44.91%0.01125%0.25CC..EExtended strand (participates in β ladder)trans-65133.8175.3-177.10000110V2183 A2187 P2189 G2190 T2191 I2193 A2230 F2231 S2244 L2246V2183-V2242 HydrophobicContact CG2-CG2 4.32Å; A2187-V2242 HydrophobicContact CB-CG2 4.32Å; P2189-V2242 CarbonylContact C-O 3.52Å; G2190-V2242 WeakPolarHBondContact CA-O 3.17Å; G2190-V2242 PolarHBondContact N-O 2.92Å; T2191-V2242 PolarHBondContact O-N 3.24Å; I2193-V2242 HydrophobicContact CG2-CG2 3.83Å; A2230-V2242 CarbonylContact O-C 3.59Å; F2231-V2242 HydrophobicContact CD1-CG2 4.41Å; F2231-V2242 HydrophobicContact CE1-CG2 4.18Å; V2242-S2244 WeakPolarHBondContact CG1-O 3.31Å; V2242-L2246 HydrophobicContact CG1-CD1 4.12Å; V2242-L2246 HydrophobicContact CG1-CD2 4.44Å; V2242-L2246 HydrophobicContact CG1-CG 4.12Å; V2242-L2246 HydrophobicContact CG2-CD1 4.17Å
2243K90Very high89.3Confident101.4 Ų101.445.1 Ų45.144%0.44125%0.247SC..  trans-115.8-37.5-178.3174.9178.9163.2-172.40113.2D2229 A2230 A2232 M2241D2229-K2243 VanDerWaalsContact CG-CE 3.46Å; D2229-K2243 WeakPolarHBondContact O-CB 3.38Å; D2229-K2243 VanDerWaalsContact O-CD 3.29Å; D2229-K2243 WeakPolarHBondContact O-CD 3.3Å; D2229-K2243 WeakPolarHBondContact O-CE 3.49Å; D2229-K2243 VanDerWaalsContact O-CG 3.29Å; D2229-K2243 WeakPolarHBondContact O-CG 3.32Å; D2229-K2243 IonicContact OD1-NZ 3.06Å; D2229-K2243 PolarHBondContact OD1-NZ 3.07Å; D2229-K2243 WeakPolarHBondContact OD2-CE 3.31Å; D2229-K2243 IonicContact OD2-NZ 2.75Å; D2229-K2243 PolarHBondContact OD2-NZ 2.99Å; A2230-K2243 WeakPolarHBondContact O-CB 3.36Å; A2230-K2243 PolarHBondContact O-N 3.14Å; A2232-K2243 HydrophobicContact CB-CB 4.24Å; A2232-K2243 HydrophobicContact CB-CD 4.3Å; M2241-K2243 PolarHBondContact O-N 3.4Å
2244S88.5Confident89.3Confident33 Ų3343.7 Ų43.723%0.23124%0.239CC..SBendtrans-112.9159.8172.267.40000110.8A2230 V2242 L2246A2230-S2244 WeakPolarHBondContact CA-OG 3.28Å; A2230-S2244 PolarHBondContact O-N 3.19Å; V2242-S2244 WeakPolarHBondContact CG1-O 3.31Å; S2244-L2246 PolarHBondContact O-N 3.17Å
2245P87.9Confident89.5Confident102.6 Ų102.643.2 Ų43.267%0.66623%0.234SC*.  trans-55.1145.3166.1-3.47.5000110.5P2189P2189-P2245 HydrophobicContact CG-CG 4.46Å
2246L90.3Very high89.6Confident14.6 Ų14.639.8 Ų39.88%0.07622%0.217CC..  trans-103.6152.1178.8-58.4172.2000108.7V2183 E2185 A2230 F2231 V2242 S2244 Y2254 I2283V2183-L2246 HydrophobicContact CG1-CD1 3.92Å; V2183-L2246 HydrophobicContact CG2-CD1 4.3Å; E2185-L2246 HydrophobicContact CB-CB 4.29Å; A2230-L2246 HydrophobicContact CB-CD2 4.42Å; F2231-L2246 HydrophobicContact CE1-CD1 4.44Å; F2231-L2246 HydrophobicContact CE1-CD2 4.4Å; F2231-L2246 HydrophobicContact CZ-CD1 4.48Å; F2231-L2246 HydrophobicContact CZ-CD2 4.12Å; V2242-L2246 HydrophobicContact CG1-CD1 4.12Å; V2242-L2246 HydrophobicContact CG1-CD2 4.44Å; V2242-L2246 HydrophobicContact CG1-CG 4.12Å; V2242-L2246 HydrophobicContact CG2-CD1 4.17Å; S2244-L2246 PolarHBondContact O-N 3.17Å; L2246-Y2254 HydrophobicContact CD2-CE2 4.14Å; L2246-I2283 HydrophobicContact CB-CD1 4.03Å; L2246-I2283 HydrophobicContact CD1-CD1 4.09Å; L2246-I2283 HydrophobicContact CD2-CD1 4.23Å; L2246-I2283 HydrophobicContact CG-CD1 4.25Å
2247N89Confident89.9Confident65.4 Ų65.435 Ų3535%0.3519%0.192SC..  trans-144.8123172.8171.6-92.3000108.3E2185 E2249 L2250 V2251E2185-N2247 WeakPolarHBondContact OE2-CA 3.25Å; E2185-N2247 PolarHBondContact OE2-ND2 3.32Å; E2185-N2247 VanDerWaalsContact OE2-ND2 3.09Å; N2247-E2249 PolarHBondContact ND2-OE2 2.94Å; N2247-E2249 PolarHBondContact OD1-N 3.06Å; N2247-E2249 VanDerWaalsContact OD1-N 3.07Å; N2247-L2250 HydrophobicContact CB-CB 4.42Å; N2247-L2250 PolarHBondContact O-N 2.77Å; N2247-L2250 VanDerWaalsContact OD1-CB 3.3Å; N2247-L2250 WeakPolarHBondContact OD1-CB 3.29Å; N2247-L2250 PolarHBondContact OD1-N 2.92Å; N2247-L2250 VanDerWaalsContact OD1-N 3.12Å; N2247-V2251 PolarHBondContact O-N 3.22Å; N2247-V2251 VanDerWaalsContact O-N 3.12Å
2248R90.7Very high90.2Very high11.6 Ų11.631.9 Ų31.94%0.04417%0.173CC..THydrogen-bonded Turntrans-80.1-31-171.4-165.8-12757.4802.2112.1E2185 D2219 L2250 V2251 I2283 D2285 P2323 K2325E2185-R2248 HydrophobicContact CB-CB 4.32Å; E2185-R2248 VanDerWaalsContact CD-CB 3.47Å; E2185-R2248 HydrophobicContact CG-CB 4.38Å; E2185-R2248 WeakPolarHBondContact OE1-CB 3.29Å; E2185-R2248 VanDerWaalsContact OE2-CB 3.29Å; E2185-R2248 WeakPolarHBondContact OE2-CB 3.3Å; E2185-R2248 PolarHBondContact OE2-N 3.19Å; D2219-R2248 IonicContact OD1-CZ 3.33Å; D2219-R2248 IonicContact OD1-NH1 3.02Å; D2219-R2248 PolarHBondContact OD1-NH1 3.1Å; D2219-R2248 VanDerWaalsContact OD1-NH1 3.11Å; D2219-R2248 IonicContact OD2-CZ 3.5Å; D2219-R2248 IonicContact OD2-NH1 3.39Å; D2219-R2248 PolarHBondContact OD2-NH1 2.95Å; D2219-R2248 IonicContact OD2-NH2 3.63Å; D2219-R2248 PolarHBondContact OD2-NH2 3.16Å; R2248-L2250 PolarHBondContact O-N 3.06Å; R2248-V2251 WeakPolarHBondContact CA-O 3.34Å; R2248-V2251 CarbonylContact O-C 3.51Å; R2248-V2251 PolarHBondContact O-N 3.03Å; R2248-I2283 HydrophobicContact CB-CB 4.37Å; R2248-I2283 HydrophobicContact CB-CG2 3.7Å; R2248-I2283 HydrophobicContact CG-CB 4.07Å; R2248-I2283 HydrophobicContact CG-CG2 3.84Å; R2248-I2283 WeakPolarHBondContact CG-O 3.29Å; R2248-D2285 VanDerWaalsContact CD-CA 3.46Å; R2248-D2285 VanDerWaalsContact CD-OD1 3.24Å; R2248-D2285 WeakPolarHBondContact CD-OD1 3.37Å; R2248-D2285 IonicContact CZ-OD1 3.46Å; R2248-D2285 IonicContact NE-OD1 3.34Å; R2248-D2285 PolarHBondContact NE-OD1 3Å; R2248-D2285 VanDerWaalsContact NE-OD1 3.15Å; R2248-D2285 IonicContact NH2-OD1 3.3Å; R2248-D2285 PolarHBondContact NH2-OD1 3.09Å; R2248-P2323 PolarHBondContact NH2-O 3.32Å; R2248-P2323 VanDerWaalsContact NH2-O 3.08Å; R2248-K2325 VanDerWaalsContact CZ-CE 3.41Å; R2248-K2325 VanDerWaalsContact CZ-CG 3.41Å; R2248-K2325 VanDerWaalsContact NE-CG 3.34Å; R2248-K2325 VanDerWaalsContact NH1-CE 3.34Å; R2248-K2325 VanDerWaalsContact NH1-CG 3.33Å
2249E87.7Confident90.4Very high53 Ų5332.6 Ų32.625%0.24818%0.178CC..THydrogen-bonded Turntrans-63-27.1176.8-7253.4-104.700111.6N2247 D2285 P2323N2247-E2249 PolarHBondContact ND2-OE2 2.94Å; N2247-E2249 PolarHBondContact OD1-N 3.06Å; N2247-E2249 VanDerWaalsContact OD1-N 3.07Å; E2249-D2285 VanDerWaalsContact OE1-OD1 3.08Å; E2249-P2323 HydrophobicContact CB-CB 4.44Å; E2249-P2323 HydrophobicContact CG-CB 3.88Å; E2249-P2323 VanDerWaalsContact CG-CB 3.48Å; E2249-P2323 HydrophobicContact CG-CG 4.28Å
2250L87.6Confident90.3Very high89 Ų8932 Ų3247%0.46617%0.173SC..THydrogen-bonded Turntrans-92.1-44.6173.7-17071000112.9V2224 N2247 R2248V2224-L2250 HydrophobicContact CG1-CD1 4.23Å; V2224-L2250 HydrophobicContact CG1-CD2 4.32Å; V2224-L2250 HydrophobicContact CG1-CG 4.05Å; V2224-L2250 WeakPolarHBondContact CG2-O 3.37Å; N2247-L2250 HydrophobicContact CB-CB 4.42Å; N2247-L2250 PolarHBondContact O-N 2.77Å; N2247-L2250 VanDerWaalsContact OD1-CB 3.3Å; N2247-L2250 WeakPolarHBondContact OD1-CB 3.29Å; N2247-L2250 PolarHBondContact OD1-N 2.92Å; N2247-L2250 VanDerWaalsContact OD1-N 3.12Å; R2248-L2250 PolarHBondContact O-N 3.06Å
2251V89.6Confident89.9Confident1 Ų134.5 Ų34.51%0.00619%0.186CC..  trans-132.7117.2-174.2-171.10000111.6A2216 K2217 V2224 Q2227 N2247 R2248 T2253 Y2254 I2283A2216-V2251 HydrophobicContact CB-CG1 3.78Å; A2216-V2251 HydrophobicContact CB-CG2 4.17Å; K2217-V2251 VanDerWaalsContact O-CG1 3.26Å; K2217-V2251 WeakPolarHBondContact O-CG1 3.36Å; V2224-V2251 HydrophobicContact CB-CG2 4.12Å; V2224-V2251 HydrophobicContact CG1-CG2 3.97Å; V2224-V2251 HydrophobicContact CG2-CG2 4.19Å; Q2227-V2251 HydrophobicContact CG-CG2 4.08Å; N2247-V2251 PolarHBondContact O-N 3.22Å; N2247-V2251 VanDerWaalsContact O-N 3.12Å; R2248-V2251 WeakPolarHBondContact CA-O 3.34Å; R2248-V2251 CarbonylContact O-C 3.51Å; R2248-V2251 PolarHBondContact O-N 3.03Å; V2251-T2253 WeakPolarHBondContact CG1-O 3.37Å; V2251-Y2254 HydrophobicContact CB-CD2 4.43Å; V2251-Y2254 HydrophobicContact CB-CE2 3.9Å; V2251-Y2254 HydrophobicContact CG1-CD1 4.44Å; V2251-Y2254 HydrophobicContact CG1-CD2 3.75Å; V2251-Y2254 HydrophobicContact CG1-CE1 4.26Å; V2251-Y2254 HydrophobicContact CG1-CE2 3.38Å; V2251-Y2254 VanDerWaalsContact CG1-CE2 3.43Å; V2251-Y2254 HydrophobicContact CG1-CG 4.31Å; V2251-Y2254 HydrophobicContact CG2-CE2 4.31Å; V2251-I2283 WeakPolarHBondContact O-CB 3.18Å; V2251-I2283 VanDerWaalsContact O-CG1 3.24Å; V2251-I2283 WeakPolarHBondContact O-CG1 3.32Å
2252A89.4Confident89.4Confident12.4 Ų12.432 Ų3210%0.10217%0.174CC..SBendtrans-83.5-40.2177.700000112.7K2217 D2219 I2283K2217-A2252 PolarHBondContact O-N 3.15Å; D2219-A2252 HydrophobicContact CB-CB 4.48Å; D2219-A2252 VanDerWaalsContact OD1-CB 3.3Å; D2219-A2252 WeakPolarHBondContact OD1-CB 3.26Å; A2252-I2283 PolarHBondContact O-N 3.25Å
2253T92.4Very high88.6Confident36.4 Ų36.436.3 Ų36.322%0.22320%0.197CC..EExtended strand (participates in β ladder)trans-142.2149.4-176.863.80000112.9K2217 V2251 V2281 N2282K2217-T2253 PolarHBondContact N-O 3.03Å; K2217-T2253 PolarHBondContact O-N 3.05Å; K2217-T2253 VanDerWaalsContact O-N 3.1Å; V2251-T2253 WeakPolarHBondContact CG1-O 3.37Å; T2253-V2281 CarbonylContact C-O 3.54Å; T2253-V2281 WeakPolarHBondContact CA-O 3.24Å; T2253-N2282 VanDerWaalsContact CG2-OD1 3.26Å; T2253-N2282 WeakPolarHBondContact CG2-OD1 3.32Å
2254Y93.1Very high87.6Confident2.2 Ų2.233.4 Ų33.41%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-123136.7171-69-101.8000110.7I2214 V2215 A2216 Q2227 A2230 F2231 L2246 V2251 T2280 V2281 I2283I2214-Y2254 HydrophobicContact CG2-CD1 3.75Å; I2214-Y2254 HydrophobicContact CG2-CE1 4.19Å; V2215-Y2254 CarbonylContact O-C 3.52Å; V2215-Y2254 VanDerWaalsContact O-CA 3.27Å; V2215-Y2254 WeakPolarHBondContact O-CA 3.27Å; A2216-Y2254 HydrophobicContact CB-CD1 3.76Å; A2216-Y2254 HydrophobicContact CB-CE1 3.68Å; A2216-Y2254 HydrophobicContact CB-CG 4.37Å; Q2227-Y2254 HydrophobicContact CB-CE1 3.93Å; Q2227-Y2254 PolarHBondContact OE1-OH 3.16Å; A2230-Y2254 HydrophobicContact CB-CD1 4.14Å; A2230-Y2254 HydrophobicContact CB-CE1 3.45Å; A2230-Y2254 VanDerWaalsContact CB-CE1 3.46Å; F2231-Y2254 HydrophobicContact CD2-CD1 4.44Å; F2231-Y2254 AromaticContact CE2-CD1 3.76Å; F2231-Y2254 HydrophobicContact CE2-CD1 3.76Å; F2231-Y2254 AromaticContact CE2-CD2 3.9Å; F2231-Y2254 HydrophobicContact CE2-CD2 3.9Å; F2231-Y2254 HydrophobicContact CE2-CE1 4.24Å; F2231-Y2254 HydrophobicContact CE2-CE2 4.39Å; F2231-Y2254 AromaticContact CE2-CG 3.56Å; F2231-Y2254 HydrophobicContact CE2-CG 3.56Å; F2231-Y2254 VanDerWaalsContact CE2-CG 3.49Å; F2231-Y2254 AromaticContact CZ-CD2 3.99Å; F2231-Y2254 HydrophobicContact CZ-CD2 4.14Å; F2231-Y2254 HydrophobicContact CZ-CE2 4.44Å; F2231-Y2254 HydrophobicContact CZ-CG 4.25Å; L2246-Y2254 HydrophobicContact CD2-CE2 4.14Å; V2251-Y2254 HydrophobicContact CB-CD2 4.43Å; V2251-Y2254 HydrophobicContact CB-CE2 3.9Å; V2251-Y2254 HydrophobicContact CG1-CD1 4.44Å; V2251-Y2254 HydrophobicContact CG1-CD2 3.75Å; V2251-Y2254 HydrophobicContact CG1-CE1 4.26Å; V2251-Y2254 HydrophobicContact CG1-CE2 3.38Å; V2251-Y2254 VanDerWaalsContact CG1-CE2 3.43Å; V2251-Y2254 HydrophobicContact CG1-CG 4.31Å; V2251-Y2254 HydrophobicContact CG2-CE2 4.31Å; Y2254-T2280 CarbonylContact O-C 3.56Å; Y2254-T2280 VanDerWaalsContact O-CA 3.32Å; Y2254-T2280 WeakPolarHBondContact O-CA 3.33Å; Y2254-V2281 PolarHBondContact N-O 3.06Å; Y2254-V2281 PolarHBondContact O-N 3.17Å; Y2254-I2283 HydrophobicContact CD2-CD1 3.78Å; Y2254-I2283 HydrophobicContact CD2-CG1 4.04Å; Y2254-I2283 HydrophobicContact CE2-CD1 3.73Å; Y2254-I2283 VanDerWaalsContact CE2-CD1 3.45Å; Y2254-I2283 HydrophobicContact CE2-CG1 3.96Å
2255E92Very high86.6Confident52.4 Ų52.433.1 Ų33.125%0.24519%0.19CC..EExtended strand (participates in β ladder)trans-107.7108.5170.7-132.6-179.3173.100109.5I2214 V2215 K2217 K2278I2214-E2255 CarbonylContact C-O 3.58Å; I2214-E2255 WeakPolarHBondContact CA-O 3.33Å; V2215-E2255 HydrophobicContact CB-CB 4.35Å; V2215-E2255 HydrophobicContact CG1-CB 4.47Å; V2215-E2255 PolarHBondContact N-O 3.07Å; V2215-E2255 PolarHBondContact O-N 3.04Å; K2217-E2255 WeakPolarHBondContact CE-OE1 3.4Å; K2217-E2255 IonicContact NZ-OE1 3.28Å; K2217-E2255 PolarHBondContact NZ-OE1 2.97Å; K2217-E2255 IonicContact NZ-OE2 3.44Å; E2255-K2278 HydrophobicContact CG-CD 4.5Å; E2255-K2278 WeakPolarHBondContact OE1-CD 3.43Å; E2255-K2278 VanDerWaalsContact OE1-CE 3.29Å; E2255-K2278 WeakPolarHBondContact OE1-CE 3.27Å; E2255-K2278 IonicContact OE1-NZ 2.83Å; E2255-K2278 PolarHBondContact OE1-NZ 2.95Å; E2255-K2278 IonicContact OE2-NZ 3.2Å; E2255-K2278 PolarHBondContact OE2-NZ 2.83Å
2256V91.9Very high85.5Confident0 Ų036.1 Ų36.10%020%0.2CC..EExtended strand (participates in β ladder)trans-101.7120179.7-175.60000109I2211 S2213 I2214 F2231 L2258 L2279 V2281I2211-V2256 HydrophobicContact CD1-CG1 4.03Å; I2211-V2256 HydrophobicContact CG1-CG1 4Å; I2211-V2256 HydrophobicContact CG2-CG1 4.03Å; S2213-V2256 VanDerWaalsContact O-CA 3.31Å; S2213-V2256 WeakPolarHBondContact O-CA 3.27Å; I2214-V2256 HydrophobicContact CD1-CG2 4.37Å; I2214-V2256 HydrophobicContact CG1-CB 4.48Å; I2214-V2256 HydrophobicContact CG1-CG1 4.2Å; I2214-V2256 HydrophobicContact CG1-CG2 4.19Å; I2214-V2256 HydrophobicContact CG2-CG2 4.39Å; F2231-V2256 HydrophobicContact CD2-CG2 3.73Å; F2231-V2256 HydrophobicContact CE2-CG2 4.28Å; F2231-V2256 HydrophobicContact CG-CG2 4.36Å; V2256-L2258 HydrophobicContact CB-CD1 4.47Å; V2256-L2258 HydrophobicContact CG1-CD1 4.01Å; V2256-L2258 HydrophobicContact CG1-CG 4.18Å; V2256-L2258 WeakPolarHBondContact O-CD1 3.09Å; V2256-L2279 HydrophobicContact CB-CB 4.28Å; V2256-L2279 WeakPolarHBondContact CB-O 3.47Å; V2256-L2279 PolarHBondContact N-O 2.94Å; V2256-L2279 PolarHBondContact O-N 2.92Å; V2256-V2281 HydrophobicContact CG2-CG2 4.29Å
2257T91.4Very high84.3Confident21.2 Ų21.240.1 Ų40.113%0.1322%0.221CC..EExtended strand (participates in β ladder)trans-100.8131.4178-560000110.5I2211 I2212 S2213 N2276 A2277I2211-T2257 CarbonylContact C-O 3.52Å; I2211-T2257 WeakPolarHBondContact CA-O 3.3Å; I2212-T2257 HydrophobicContact CB-CG2 4.31Å; I2212-T2257 HydrophobicContact CD1-CG2 4.13Å; I2212-T2257 PolarHBondContact N-O 3.03Å; S2213-T2257 PolarHBondContact O-N 2.98Å; S2213-T2257 PolarHBondContact OG-OG1 2.84Å; T2257-N2276 HydrophobicContact CG2-CB 3.94Å; T2257-A2277 CarbonylContact C-O 3.56Å; T2257-A2277 WeakPolarHBondContact CA-O 3.32Å
2258L90.4Very high83.1Confident1.2 Ų1.241.9 Ų41.91%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-126148.9-176-57.7101.1000112.5F2174 V2196 H2210 I2211 V2233 V2240 V2256 N2276 A2277 L2279F2174-L2258 VanDerWaalsContact CE2-O 3.31Å; F2174-L2258 WeakPolarHBondContact CE2-O 3.44Å; F2174-L2258 HydrophobicContact CZ-CB 4.33Å; V2196-L2258 HydrophobicContact CG2-CD1 4.37Å; V2196-L2258 HydrophobicContact CG2-CD2 4.27Å; H2210-L2258 CarbonylContact O-C 3.48Å; H2210-L2258 VanDerWaalsContact O-CA 3.25Å; H2210-L2258 WeakPolarHBondContact O-CA 3.38Å; H2210-L2258 WeakPolarHBondContact O-CB 3.23Å; H2210-L2258 WeakPolarHBondContact O-CD2 3.25Å; H2210-L2258 WeakPolarHBondContact O-CG 3.03Å; I2211-L2258 HydrophobicContact CG1-CD2 3.94Å; I2211-L2258 HydrophobicContact CG1-CG 4.13Å; V2233-L2258 HydrophobicContact CB-CD2 4.14Å; V2233-L2258 HydrophobicContact CG1-CD2 4.5Å; V2233-L2258 HydrophobicContact CG2-CD2 3.94Å; V2240-L2258 HydrophobicContact CG2-CD1 4.46Å; V2240-L2258 HydrophobicContact CG2-CD2 3.76Å; V2256-L2258 HydrophobicContact CB-CD1 4.47Å; V2256-L2258 HydrophobicContact CG1-CD1 4.01Å; V2256-L2258 HydrophobicContact CG1-CG 4.18Å; V2256-L2258 WeakPolarHBondContact O-CD1 3.09Å; L2258-N2276 CarbonylContact O-C 3.52Å; L2258-N2276 WeakPolarHBondContact O-CA 3.29Å; L2258-N2276 VanDerWaalsContact O-CB 3.29Å; L2258-N2276 WeakPolarHBondContact O-CB 3.35Å; L2258-A2277 HydrophobicContact CB-CB 4.36Å; L2258-A2277 PolarHBondContact N-O 2.98Å; L2258-A2277 PolarHBondContact O-N 3Å; L2258-A2277 VanDerWaalsContact O-O 3.13Å; L2258-L2279 HydrophobicContact CD1-CB 3.9Å
2259S90.3Very high81.9Confident14.8 Ų14.849.3 Ų49.310%0.10327%0.272CS..EExtended strand (participates in β ladder)trans-123.5154.4170.654.30000111.3F2174 Y2209 H2210 I2212 S2273 N2276F2174-S2259 VanDerWaalsContact CZ-C 3.46Å; Y2209-S2259 VanDerWaalsContact CA-O 3.3Å; Y2209-S2259 WeakPolarHBondContact CA-O 3.23Å; H2210-S2259 PolarHBondContact N-O 2.9Å; H2210-S2259 PolarHBondContact O-N 2.8Å; I2212-S2259 WeakPolarHBondContact CG1-OG 3.11Å; S2259-S2273 WeakPolarHBondContact CA-OG 3.14Å; S2259-N2276 WeakPolarHBondContact CA-OD1 3.37Å; S2259-N2276 VanDerWaalsContact CB-OD1 3.26Å; S2259-N2276 WeakPolarHBondContact CB-OD1 3.4Å
2260V87.7Confident80.9Confident1 Ų150 Ų501%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-123.4144.9167.564.10000109.8P2172 F2174 A2198 L2207 E2208 Y2209 S2273P2172-V2260 HydrophobicContact CB-CG1 3.71Å; P2172-V2260 HydrophobicContact CB-CG2 4.46Å; P2172-V2260 HydrophobicContact CG-CG1 3.92Å; F2174-V2260 HydrophobicContact CD1-CB 4.48Å; F2174-V2260 HydrophobicContact CD1-CG1 4.25Å; F2174-V2260 HydrophobicContact CD2-CG1 4.28Å; F2174-V2260 HydrophobicContact CE1-CB 4.04Å; F2174-V2260 HydrophobicContact CE1-CG1 3.91Å; F2174-V2260 HydrophobicContact CE2-CB 4.19Å; F2174-V2260 HydrophobicContact CE2-CG1 3.82Å; F2174-V2260 HydrophobicContact CG-CG1 4.07Å; F2174-V2260 HydrophobicContact CZ-CB 3.76Å; F2174-V2260 VanDerWaalsContact CZ-CB 3.49Å; F2174-V2260 HydrophobicContact CZ-CG1 3.64Å; A2198-V2260 HydrophobicContact CB-CB 4.2Å; A2198-V2260 HydrophobicContact CB-CG1 3.82Å; A2198-V2260 HydrophobicContact CB-CG2 4.26Å; L2207-V2260 HydrophobicContact CB-CG2 3.79Å; L2207-V2260 HydrophobicContact CD1-CG2 4.48Å; L2207-V2260 HydrophobicContact CD2-CG1 4.13Å; L2207-V2260 HydrophobicContact CD2-CG2 4.11Å; L2207-V2260 HydrophobicContact CG-CG2 4.32Å; E2208-V2260 CarbonylContact O-C 3.56Å; E2208-V2260 VanDerWaalsContact O-CA 3.29Å; E2208-V2260 WeakPolarHBondContact O-CA 3.32Å; E2208-V2260 VanDerWaalsContact O-CG2 3.22Å; E2208-V2260 WeakPolarHBondContact O-CG2 3.26Å; Y2209-V2260 HydrophobicContact CD1-CB 3.89Å; Y2209-V2260 HydrophobicContact CD1-CG2 3.88Å; Y2209-V2260 VanDerWaalsContact CD1-CG2 3.43Å; Y2209-V2260 HydrophobicContact CD2-CG2 4.34Å; Y2209-V2260 HydrophobicContact CE1-CB 4.02Å; Y2209-V2260 HydrophobicContact CE1-CG2 3.79Å; Y2209-V2260 VanDerWaalsContact CE1-CG2 3.42Å; Y2209-V2260 HydrophobicContact CE2-CG2 4.27Å; Y2209-V2260 HydrophobicContact CG-CB 4.42Å; Y2209-V2260 HydrophobicContact CG-CG2 4.26Å; V2260-S2273 PolarHBondContact N-OG 3.26Å; V2260-S2273 VanDerWaalsContact N-OG 3.09Å; V2260-S2273 WeakPolarHBondContact O-CB 3.26Å; V2260-S2273 PolarHBondContact O-N 2.98Å; V2260-S2273 VanDerWaalsContact O-N 3.13Å; V2260-S2273 PolarHBondContact O-OG 3Å
2261I84Confident80.2Confident53.2 Ų53.246.5 Ų46.527%0.27326%0.258SS..EExtended strand (participates in β ladder)trans-122.4130.8-177.4-59.5-179.4000109L2207 E2208 S2271 V2272L2207-I2261 CarbonylContact C-O 3.54Å; L2207-I2261 VanDerWaalsContact CA-O 3.3Å; L2207-I2261 WeakPolarHBondContact CA-O 3.36Å; E2208-I2261 PolarHBondContact N-O 3.03Å; E2208-I2261 PolarHBondContact O-N 3.03Å; I2261-S2271 CarbonylContact C-O 3.56Å; I2261-S2271 WeakPolarHBondContact CA-O 3.45Å; I2261-S2271 WeakPolarHBondContact CB-O 3.13Å; I2261-S2271 VanDerWaalsContact CG2-O 3.3Å; I2261-S2271 WeakPolarHBondContact CG2-O 3.33Å; I2261-V2272 HydrophobicContact CG1-CG1 4.41Å; I2261-V2272 HydrophobicContact CG1-CG2 4.3Å
2262D81.3Confident79.5Confident3.2 Ų3.248.9 Ų48.92%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-88.2128.7166159.956.5000110.6N2168 P2172 D2200 P2205 K2206 L2207 A2264 S2265 S2271N2168-D2262 PolarHBondContact ND2-OD1 3.06Å; N2168-D2262 VanDerWaalsContact ND2-OD1 3.16Å; P2172-D2262 WeakPolarHBondContact CD-OD2 3.31Å; P2172-D2262 HydrophobicContact CG-CB 3.89Å; D2200-D2262 WeakPolarHBondContact OD2-CB 3.35Å; P2205-D2262 WeakPolarHBondContact CA-OD1 3.42Å; K2206-D2262 WeakPolarHBondContact CA-OD1 3.27Å; K2206-D2262 WeakPolarHBondContact CB-OD1 3.28Å; K2206-D2262 PolarHBondContact N-OD1 3Å; K2206-D2262 VanDerWaalsContact N-OD1 3.09Å; K2206-D2262 WeakPolarHBondContact O-CA 3.35Å; K2206-D2262 WeakPolarHBondContact O-CB 3.34Å; L2207-D2262 HydrophobicContact CD2-CB 4.07Å; D2262-A2264 VanDerWaalsContact C-N 3.28Å; D2262-A2264 VanDerWaalsContact CG-N 3.28Å; D2262-A2264 PolarHBondContact O-N 2.95Å; D2262-A2264 VanDerWaalsContact OD1-CB 3.32Å; D2262-A2264 WeakPolarHBondContact OD1-CB 3.16Å; D2262-A2264 PolarHBondContact OD1-N 2.9Å; D2262-A2264 VanDerWaalsContact OD2-CA 3.28Å; D2262-A2264 WeakPolarHBondContact OD2-CA 3.35Å; D2262-A2264 VanDerWaalsContact OD2-CB 3.29Å; D2262-A2264 WeakPolarHBondContact OD2-CB 3.44Å; D2262-A2264 PolarHBondContact OD2-N 2.88Å; D2262-S2265 PolarHBondContact OD1-N 3.35Å; D2262-S2265 WeakPolarHBondContact OD2-CB 3.3Å; D2262-S2265 PolarHBondContact OD2-N 3.18Å; D2262-S2271 PolarHBondContact N-O 2.89Å; D2262-S2271 VanDerWaalsContact O-CB 3.24Å; D2262-S2271 WeakPolarHBondContact O-CB 3.35Å; D2262-S2271 VanDerWaalsContact OD2-CA 3.3Å; D2262-S2271 WeakPolarHBondContact OD2-CA 3.41Å
2263N74.5Confident78.9Confident92.6 Ų92.648.5 Ų48.550%0.49527%0.269SS..SBendtrans-100.625.8176.9-92.5-32.4000112.2K2206 E2208K2206-N2263 HydrophobicContact CB-CB 4.3Å; K2206-N2263 HydrophobicContact CD-CB 4.19Å; K2206-N2263 HydrophobicContact CG-CB 4.36Å; K2206-N2263 PolarHBondContact NZ-O 3.16Å; K2206-N2263 PolarHBondContact O-N 3.18Å; E2208-N2263 PolarHBondContact OE1-ND2 2.98Å; E2208-N2263 PolarHBondContact OE2-ND2 2.85Å; E2208-N2263 VanDerWaalsContact OE2-ND2 3.15Å
2264A70.7Confident78.1Confident40 Ų4051.7 Ų51.733%0.33129%0.288SS..SBendtrans-106.3-29176.700000113.4N2168 N2204 K2206 D2262N2168-A2264 VanDerWaalsContact ND2-C 3.27Å; N2168-A2264 WeakPolarHBondContact ND2-CB 3.46Å; N2168-A2264 PolarHBondContact ND2-O 2.78Å; N2168-A2264 WeakPolarHBondContact OD1-CB 3.23Å; N2204-A2264 WeakPolarHBondContact O-CB 3.33Å; K2206-A2264 HydrophobicContact CB-CB 4.22Å; K2206-A2264 HydrophobicContact CD-CB 4.31Å; K2206-A2264 HydrophobicContact CG-CB 4.35Å; K2206-A2264 VanDerWaalsContact NZ-CA 3.27Å; D2262-A2264 VanDerWaalsContact C-N 3.28Å; D2262-A2264 VanDerWaalsContact CG-N 3.28Å; D2262-A2264 PolarHBondContact O-N 2.95Å; D2262-A2264 VanDerWaalsContact OD1-CB 3.32Å; D2262-A2264 WeakPolarHBondContact OD1-CB 3.16Å; D2262-A2264 PolarHBondContact OD1-N 2.9Å; D2262-A2264 VanDerWaalsContact OD2-CA 3.28Å; D2262-A2264 WeakPolarHBondContact OD2-CA 3.35Å; D2262-A2264 VanDerWaalsContact OD2-CB 3.29Å; D2262-A2264 WeakPolarHBondContact OD2-CB 3.44Å; D2262-A2264 PolarHBondContact OD2-N 2.88Å
2265S66.7Low77.3Confident27.6 Ų27.655.9 Ų55.919%0.19332%0.315CS..  trans-78.9134.3176.7-169.20000113.6N2168 D2262 L2267 S2271N2168-S2265 PolarHBondContact O-OG 3.22Å; D2262-S2265 PolarHBondContact OD1-N 3.35Å; D2262-S2265 WeakPolarHBondContact OD2-CB 3.3Å; D2262-S2265 PolarHBondContact OD2-N 3.18Å; S2265-L2267 VanDerWaalsContact C-N 3.26Å; S2265-L2267 PolarHBondContact O-N 3.43Å; S2265-L2267 PolarHBondContact OG-N 3.07Å; S2265-L2267 PolarHBondContact OG-O 3.28Å; S2265-S2271 PolarHBondContact O-OG 2.82Å
2266D64Low77Confident165.2 Ų165.256.4 Ų56.488%0.88332%0.32SS*.SBendtrans-77.1-7.4169.5-83.5-34.3000112.5P2268D2266-P2268 WeakPolarHBondContact O-CD 3.33Å
2267L65.2Low76.8Confident98 Ų9856.5 Ų56.551%0.51332%0.321SS..  trans-106.7109.2-176.6-70.7172.2000111.5D2169 S2265 E2269 H2270 S2271D2169-L2267 HydrophobicContact CB-CD1 3.81Å; S2265-L2267 VanDerWaalsContact C-N 3.26Å; S2265-L2267 PolarHBondContact O-N 3.43Å; S2265-L2267 PolarHBondContact OG-N 3.07Å; S2265-L2267 PolarHBondContact OG-O 3.28Å; L2267-E2269 PolarHBondContact O-N 3.02Å; L2267-E2269 VanDerWaalsContact O-N 3.08Å; L2267-H2270 HydrophobicContact CB-CB 4.41Å; L2267-H2270 PolarHBondContact O-N 3.17Å; L2267-H2270 VanDerWaalsContact O-N 3.14Å; L2267-S2271 PolarHBondContact O-N 2.98Å; L2267-S2271 VanDerWaalsContact O-N 3.07Å; L2267-S2271 PolarHBondContact O-OG 3.02Å
2268P63.7Low76.7Confident103.6 Ų103.660.2 Ų60.267%0.67334%0.335SS*.THydrogen-bonded Turntrans-58.3-23.7-175.6-26.934.9000115.5D2266 H2270 S2271 V2272D2266-P2268 WeakPolarHBondContact O-CD 3.33Å; P2268-H2270 VanDerWaalsContact C-N 3.3Å; P2268-H2270 PolarHBondContact O-N 3.02Å; P2268-S2271 WeakPolarHBondContact CA-OG 3.33Å; P2268-S2271 PolarHBondContact O-N 2.97Å; P2268-S2271 VanDerWaalsContact O-N 3.08Å; P2268-S2271 PolarHBondContact O-OG 3.4Å; P2268-V2272 WeakPolarHBondContact O-CG2 3.38Å
2269E65.8Low76.8Confident167.4 Ų167.460.2 Ų60.278%0.78234%0.335SS*.THydrogen-bonded Turntrans-77.2-19-179-59.7-173.7-179.100112.9R2171 L2267R2171-E2269 PolarHBondContact NH1-O 2.94Å; R2171-E2269 PolarHBondContact NH2-O 3.27Å; L2267-E2269 PolarHBondContact O-N 3.02Å; L2267-E2269 VanDerWaalsContact O-N 3.08Å
2270H67.1Low76.9Confident66.6 Ų66.661.2 Ų61.231%0.30834%0.34SS..THydrogen-bonded Turntrans-103.6-20.7177.4-65.6-113.4000111.8D2169 R2171 P2172 L2267 P2268 V2272D2169-H2270 PolarHBondContact O-ND1 3.22Å; R2171-H2270 WeakPolarHBondContact CA-O 3.42Å; R2171-H2270 WeakPolarHBondContact CB-O 3.44Å; P2172-H2270 WeakPolarHBondContact CD-O 3.41Å; P2172-H2270 WeakPolarHBondContact CG-O 3.02Å; L2267-H2270 HydrophobicContact CB-CB 4.41Å; L2267-H2270 PolarHBondContact O-N 3.17Å; L2267-H2270 VanDerWaalsContact O-N 3.14Å; P2268-H2270 VanDerWaalsContact C-N 3.3Å; P2268-H2270 PolarHBondContact O-N 3.02Å; H2270-V2272 PolarHBondContact O-N 2.95Å
2271S71.9Confident77.1Confident16.2 Ų16.261.2 Ų61.211%0.11334%0.34CS..SBendtrans-71.4-0.6-178.926.40000116.5I2261 D2262 S2265 L2267 P2268I2261-S2271 CarbonylContact C-O 3.56Å; I2261-S2271 WeakPolarHBondContact CA-O 3.45Å; I2261-S2271 WeakPolarHBondContact CB-O 3.13Å; I2261-S2271 VanDerWaalsContact CG2-O 3.3Å; I2261-S2271 WeakPolarHBondContact CG2-O 3.33Å; D2262-S2271 PolarHBondContact N-O 2.89Å; D2262-S2271 VanDerWaalsContact O-CB 3.24Å; D2262-S2271 WeakPolarHBondContact O-CB 3.35Å; D2262-S2271 VanDerWaalsContact OD2-CA 3.3Å; D2262-S2271 WeakPolarHBondContact OD2-CA 3.41Å; S2265-S2271 PolarHBondContact O-OG 2.82Å; L2267-S2271 PolarHBondContact O-N 2.98Å; L2267-S2271 VanDerWaalsContact O-N 3.07Å; L2267-S2271 PolarHBondContact O-OG 3.02Å; P2268-S2271 WeakPolarHBondContact CA-OG 3.33Å; P2268-S2271 PolarHBondContact O-N 2.97Å; P2268-S2271 VanDerWaalsContact O-N 3.08Å; P2268-S2271 PolarHBondContact O-OG 3.4Å
2272V76.8Confident77.4Confident52.2 Ų52.261.2 Ų61.232%0.31634%0.341SS..BIsolated β-bridgetrans-133.1138-174.3-173.40000111.4R2171 I2261 P2268 H2270 V2274R2171-V2272 PolarHBondContact NH1-O 3.19Å; I2261-V2272 HydrophobicContact CG1-CG1 4.41Å; I2261-V2272 HydrophobicContact CG1-CG2 4.3Å; P2268-V2272 WeakPolarHBondContact O-CG2 3.38Å; H2270-V2272 PolarHBondContact O-N 2.95Å; V2272-V2274 PolarHBondContact O-N 3.14Å
2273S76.2Confident77.9Confident3 Ų361.7 Ų61.72%0.02134%0.343CS..  trans-60.7123.6174.360.10000112.8P2172 F2174 S2259 V2260 P2275 N2276P2172-S2273 WeakPolarHBondContact O-CA 3.36Å; P2172-S2273 WeakPolarHBondContact O-CB 3.25Å; F2174-S2273 VanDerWaalsContact CE2-OG 3.25Å; F2174-S2273 WeakPolarHBondContact CE2-OG 3.38Å; S2259-S2273 WeakPolarHBondContact CA-OG 3.14Å; V2260-S2273 PolarHBondContact N-OG 3.26Å; V2260-S2273 VanDerWaalsContact N-OG 3.09Å; V2260-S2273 WeakPolarHBondContact O-CB 3.26Å; V2260-S2273 PolarHBondContact O-N 2.98Å; V2260-S2273 VanDerWaalsContact O-N 3.13Å; V2260-S2273 PolarHBondContact O-OG 3Å; S2273-P2275 CarbonylContact C-O 3.47Å; S2273-P2275 VanDerWaalsContact C-O 3.26Å; S2273-P2275 WeakPolarHBondContact CB-O 3.38Å; S2273-P2275 CarbonylContact O-C 3.59Å; S2273-N2276 PolarHBondContact O-N 2.71Å; S2273-N2276 PolarHBondContact O-OD1 3.02Å; S2273-N2276 VanDerWaalsContact O-OD1 3.1Å; S2273-N2276 PolarHBondContact OG-OD1 2.99Å; S2273-N2276 VanDerWaalsContact OG-OD1 3.04Å
2274V74.3Confident78.5Confident104.4 Ų104.460.9 Ų60.963%0.63334%0.339SS*.SBendtrans-134.2112.2169.8-177.20000107.5V2272V2272-V2274 PolarHBondContact O-N 3.14Å
2275P77.5Confident79.3Confident89.4 Ų89.460.6 Ų60.658%0.58133%0.331SS*.SBendcis-791606.733.5-36.6000114.6P2177 S2273P2177-P2275 HydrophobicContact CB-CG 4.26Å; S2273-P2275 CarbonylContact C-O 3.47Å; S2273-P2275 VanDerWaalsContact C-O 3.26Å; S2273-P2275 WeakPolarHBondContact CB-O 3.38Å; S2273-P2275 CarbonylContact O-C 3.59Å
2276N84.8Confident80.3Confident63.6 Ų63.661.3 Ų61.334%0.3434%0.335SS..PPolyproline II helixtrans-68.8149.6167.2-70.8-36.5000111.1I2212 T2257 L2258 S2259 S2273I2212-N2276 HydrophobicContact CD1-CB 4.04Å; I2212-N2276 VanDerWaalsContact CD1-CG 3.44Å; I2212-N2276 WeakPolarHBondContact CD1-ND2 3.33Å; I2212-N2276 VanDerWaalsContact CD1-OD1 3.29Å; I2212-N2276 WeakPolarHBondContact CD1-OD1 3.35Å; T2257-N2276 HydrophobicContact CG2-CB 3.94Å; L2258-N2276 CarbonylContact O-C 3.52Å; L2258-N2276 WeakPolarHBondContact O-CA 3.29Å; L2258-N2276 VanDerWaalsContact O-CB 3.29Å; L2258-N2276 WeakPolarHBondContact O-CB 3.35Å; S2259-N2276 WeakPolarHBondContact CA-OD1 3.37Å; S2259-N2276 VanDerWaalsContact CB-OD1 3.26Å; S2259-N2276 WeakPolarHBondContact CB-OD1 3.4Å; S2273-N2276 PolarHBondContact O-N 2.71Å; S2273-N2276 PolarHBondContact O-OD1 3.02Å; S2273-N2276 VanDerWaalsContact O-OD1 3.1Å; S2273-N2276 PolarHBondContact OG-OD1 2.99Å; S2273-N2276 VanDerWaalsContact OG-OD1 3.04Å
2277A87.5Confident81.5Confident1.6 Ų1.654.2 Ų54.21%0.01330%0.297CS..EExtended strand (participates in β ladder)trans-76.6146175.800000112F2174 P2177 V2196 T2257 L2258F2174-A2277 HydrophobicContact CB-CB 4.29Å; F2174-A2277 HydrophobicContact CD1-CB 4.02Å; F2174-A2277 HydrophobicContact CD2-CB 3.66Å; F2174-A2277 HydrophobicContact CE1-CB 4Å; F2174-A2277 HydrophobicContact CE2-CB 3.63Å; F2174-A2277 HydrophobicContact CG-CB 3.84Å; F2174-A2277 HydrophobicContact CZ-CB 3.79Å; P2177-A2277 CarbonylContact O-C 3.52Å; P2177-A2277 VanDerWaalsContact O-CA 3.26Å; P2177-A2277 WeakPolarHBondContact O-CA 3.34Å; V2196-A2277 HydrophobicContact CG1-CB 3.93Å; T2257-A2277 CarbonylContact C-O 3.56Å; T2257-A2277 WeakPolarHBondContact CA-O 3.32Å; L2258-A2277 HydrophobicContact CB-CB 4.36Å; L2258-A2277 PolarHBondContact N-O 2.98Å; L2258-A2277 PolarHBondContact O-N 3Å; L2258-A2277 VanDerWaalsContact O-O 3.13Å
2278K89.8Confident82.5Confident100 Ų10053.2 Ų53.244%0.43529%0.292SS..EExtended strand (participates in β ladder)trans-118.2124.9171.2-70.7-170.6170.1-160.10110.4P2177 I2178 Q2179 E2255P2177-K2278 PolarHBondContact O-N 3.05Å; I2178-K2278 CarbonylContact C-O 3.44Å; I2178-K2278 WeakPolarHBondContact CA-O 3.33Å; Q2179-K2278 PolarHBondContact N-O 3.35Å; E2255-K2278 HydrophobicContact CG-CD 4.5Å; E2255-K2278 WeakPolarHBondContact OE1-CD 3.43Å; E2255-K2278 VanDerWaalsContact OE1-CE 3.29Å; E2255-K2278 WeakPolarHBondContact OE1-CE 3.27Å; E2255-K2278 IonicContact OE1-NZ 2.83Å; E2255-K2278 PolarHBondContact OE1-NZ 2.95Å; E2255-K2278 IonicContact OE2-NZ 3.2Å; E2255-K2278 PolarHBondContact OE2-NZ 2.83Å
2279L92.2Very high83.6Confident0.6 Ų0.650.6 Ų50.60%0.00327%0.272CS..EExtended strand (participates in β ladder)trans-112109.8173.717567.6000109Q2179 V2181 I2193 A2194 V2240 V2256 L2258 V2281Q2179-L2279 HydrophobicContact CB-CD1 3.76Å; Q2179-L2279 CarbonylContact O-C 3.49Å; Q2179-L2279 VanDerWaalsContact O-CA 3.26Å; Q2179-L2279 WeakPolarHBondContact O-CA 3.22Å; V2181-L2279 HydrophobicContact CB-CD1 4.4Å; V2181-L2279 HydrophobicContact CG1-CD1 3.97Å; V2181-L2279 HydrophobicContact CG2-CD1 3.82Å; V2181-L2279 HydrophobicContact CG2-CG 4.37Å; I2193-L2279 HydrophobicContact CD1-CD2 4.3Å; I2193-L2279 HydrophobicContact CG1-CD2 4.48Å; A2194-L2279 HydrophobicContact CB-CD1 3.76Å; A2194-L2279 HydrophobicContact CB-CD2 3.67Å; A2194-L2279 HydrophobicContact CB-CG 4.35Å; V2240-L2279 HydrophobicContact CB-CD2 3.92Å; V2240-L2279 HydrophobicContact CG1-CD2 3.94Å; V2240-L2279 HydrophobicContact CG2-CD2 3.83Å; V2256-L2279 HydrophobicContact CB-CB 4.28Å; V2256-L2279 WeakPolarHBondContact CB-O 3.47Å; V2256-L2279 PolarHBondContact N-O 2.94Å; V2256-L2279 PolarHBondContact O-N 2.92Å; L2258-L2279 HydrophobicContact CD1-CB 3.9Å; L2279-V2281 HydrophobicContact CD2-CG2 4.19Å; L2279-V2281 HydrophobicContact CG-CG2 4.01Å
2280T92.5Very high84.6Confident35.8 Ų35.845.3 Ų45.322%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-88.7122.4171.7-52.20000109.3Q2179 T2180 V2181 Y2254 N2282Q2179-T2280 PolarHBondContact O-N 3.12Å; T2180-T2280 CarbonylContact C-O 3.53Å; T2180-T2280 VanDerWaalsContact CA-O 3.3Å; T2180-T2280 WeakPolarHBondContact CA-O 3.39Å; T2180-T2280 HydrophobicContact CG2-CG2 4.39Å; V2181-T2280 PolarHBondContact N-O 3.17Å; Y2254-T2280 CarbonylContact O-C 3.56Å; Y2254-T2280 VanDerWaalsContact O-CA 3.32Å; Y2254-T2280 WeakPolarHBondContact O-CA 3.33Å; T2280-N2282 WeakPolarHBondContact CG2-OD1 3.42Å
2281V92.3Very high85.8Confident0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-109.8110.2179.1-169.70000108.6V2181 V2183 I2193 F2231 T2253 Y2254 V2256 L2279 I2283V2181-V2281 HydrophobicContact CG2-CB 4.29Å; V2181-V2281 HydrophobicContact CG2-CG1 4.17Å; V2181-V2281 HydrophobicContact CG2-CG2 3.93Å; V2181-V2281 CarbonylContact O-C 3.38Å; V2181-V2281 WeakPolarHBondContact O-CA 3.34Å; V2183-V2281 HydrophobicContact CB-CG1 4.32Å; V2183-V2281 HydrophobicContact CG1-CG1 3.54Å; V2183-V2281 VanDerWaalsContact CG1-CG1 3.49Å; V2183-V2281 HydrophobicContact CG2-CG1 3.6Å; I2193-V2281 HydrophobicContact CD1-CB 4.41Å; I2193-V2281 HydrophobicContact CD1-CG1 3.93Å; I2193-V2281 HydrophobicContact CD1-CG2 3.6Å; F2231-V2281 HydrophobicContact CE1-CB 4.46Å; F2231-V2281 HydrophobicContact CE1-CG1 4.18Å; F2231-V2281 HydrophobicContact CE1-CG2 4.32Å; F2231-V2281 HydrophobicContact CE2-CB 4.41Å; F2231-V2281 HydrophobicContact CE2-CG1 4.49Å; F2231-V2281 HydrophobicContact CE2-CG2 4.35Å; F2231-V2281 HydrophobicContact CZ-CB 4.07Å; F2231-V2281 HydrophobicContact CZ-CG1 3.8Å; F2231-V2281 HydrophobicContact CZ-CG2 4.19Å; T2253-V2281 CarbonylContact C-O 3.54Å; T2253-V2281 WeakPolarHBondContact CA-O 3.24Å; Y2254-V2281 PolarHBondContact N-O 3.06Å; Y2254-V2281 PolarHBondContact O-N 3.17Å; V2256-V2281 HydrophobicContact CG2-CG2 4.29Å; L2279-V2281 HydrophobicContact CD2-CG2 4.19Å; L2279-V2281 HydrophobicContact CG-CG2 4.01Å; V2281-I2283 HydrophobicContact CG1-CD1 4.29Å
2282N90.8Very high86.5Confident55.2 Ų55.246.5 Ų46.530%0.29526%0.256SS..EExtended strand (participates in β ladder)trans-88.9128.5175.9-61.6-18.7000109.2T2180 V2181 S2182 V2183 T2253 T2280T2180-N2282 WeakPolarHBondContact CG2-ND2 3.01Å; V2181-N2282 PolarHBondContact O-N 2.85Å; S2182-N2282 CarbonylContact C-O 3.44Å; S2182-N2282 VanDerWaalsContact CA-O 3.29Å; S2182-N2282 WeakPolarHBondContact CA-O 3.39Å; V2183-N2282 PolarHBondContact N-O 3.18Å; T2253-N2282 VanDerWaalsContact CG2-OD1 3.26Å; T2253-N2282 WeakPolarHBondContact CG2-OD1 3.32Å; T2280-N2282 WeakPolarHBondContact CG2-OD1 3.42Å
2283I91.1Very high87.2Confident12 Ų1244.8 Ų44.86%0.06224%0.244CC..EExtended strand (participates in β ladder)trans-85.9129177.2-50.5-64.5000109.2V2183 E2185 L2246 R2248 V2251 A2252 Y2254 V2281V2183-I2283 HydrophobicContact CG1-CD1 3.59Å; V2183-I2283 VanDerWaalsContact CG1-CD1 3.45Å; V2183-I2283 CarbonylContact O-C 3.53Å; V2183-I2283 WeakPolarHBondContact O-CA 3.37Å; E2185-I2283 HydrophobicContact CB-CG2 3.72Å; L2246-I2283 HydrophobicContact CB-CD1 4.03Å; L2246-I2283 HydrophobicContact CD1-CD1 4.09Å; L2246-I2283 HydrophobicContact CD2-CD1 4.23Å; L2246-I2283 HydrophobicContact CG-CD1 4.25Å; R2248-I2283 HydrophobicContact CB-CB 4.37Å; R2248-I2283 HydrophobicContact CB-CG2 3.7Å; R2248-I2283 HydrophobicContact CG-CB 4.07Å; R2248-I2283 HydrophobicContact CG-CG2 3.84Å; R2248-I2283 WeakPolarHBondContact CG-O 3.29Å; V2251-I2283 WeakPolarHBondContact O-CB 3.18Å; V2251-I2283 VanDerWaalsContact O-CG1 3.24Å; V2251-I2283 WeakPolarHBondContact O-CG1 3.32Å; A2252-I2283 PolarHBondContact O-N 3.25Å; Y2254-I2283 HydrophobicContact CD2-CD1 3.78Å; Y2254-I2283 HydrophobicContact CD2-CG1 4.04Å; Y2254-I2283 HydrophobicContact CE2-CD1 3.73Å; Y2254-I2283 VanDerWaalsContact CE2-CD1 3.45Å; Y2254-I2283 HydrophobicContact CE2-CG1 3.96Å; V2281-I2283 HydrophobicContact CG1-CD1 4.29Å
2284L87.8Confident87.5Confident77 Ų7749.2 Ų49.240%0.40326%0.263SS..EExtended strand (participates in β ladder)trans-98.4132.6178-62.6179.3000110.4V2183 L2184 E2185V2183-L2284 PolarHBondContact O-N 3.24Å; L2184-L2284 WeakPolarHBondContact CA-O 3.4Å; L2184-L2284 HydrophobicContact CD2-CB 3.86Å; L2184-L2284 HydrophobicContact CD2-CD1 4.42Å; L2184-L2284 HydrophobicContact CG-CB 4.44Å; E2185-L2284 PolarHBondContact N-O 3.03Å; E2185-L2284 VanDerWaalsContact N-O 3.11Å
2285D88.4Confident87.9Confident32.2 Ų32.248.6 Ų48.617%0.17226%0.261CS..PPolyproline II helixtrans-64.1140.9-179.2-164.187.2000113.6E2185 R2248 E2249 K2325 N2328E2185-D2285 WeakPolarHBondContact OE1-CA 3.31Å; R2248-D2285 VanDerWaalsContact CD-CA 3.46Å; R2248-D2285 VanDerWaalsContact CD-OD1 3.24Å; R2248-D2285 WeakPolarHBondContact CD-OD1 3.37Å; R2248-D2285 IonicContact CZ-OD1 3.46Å; R2248-D2285 IonicContact NE-OD1 3.34Å; R2248-D2285 PolarHBondContact NE-OD1 3Å; R2248-D2285 VanDerWaalsContact NE-OD1 3.15Å; R2248-D2285 IonicContact NH2-OD1 3.3Å; R2248-D2285 PolarHBondContact NH2-OD1 3.09Å; E2249-D2285 VanDerWaalsContact OE1-OD1 3.08Å; D2285-K2325 HydrophobicContact CB-CB 4.21Å; D2285-K2325 VanDerWaalsContact CG-N 3.29Å; D2285-K2325 VanDerWaalsContact OD1-CB 3.29Å; D2285-K2325 WeakPolarHBondContact OD1-CB 3.34Å; D2285-K2325 PolarHBondContact OD1-N 3.08Å; D2285-K2325 PolarHBondContact OD2-N 2.94Å; D2285-N2328 PolarHBondContact O-ND2 2.97Å; D2285-N2328 VanDerWaalsContact OD2-CB 3.27Å; D2285-N2328 WeakPolarHBondContact OD2-CB 3.21Å; D2285-N2328 PolarHBondContact OD2-ND2 2.89Å
2286V87.2Confident88Confident43.4 Ų43.450.5 Ų50.526%0.26326%0.26SS..  trans-126.1137.7172.1176.90000108.1L2184 E2185 D2288 N2328L2184-V2286 HydrophobicContact CB-CG2 4.34Å; L2184-V2286 HydrophobicContact CD2-CG2 4.03Å; E2185-V2286 HydrophobicContact CG-CB 4.04Å; E2185-V2286 HydrophobicContact CG-CG2 4Å; E2185-V2286 PolarHBondContact OE1-N 3.01Å; V2286-D2288 VanDerWaalsContact C-N 3.3Å; V2286-D2288 HydrophobicContact CB-CB 4.34Å; V2286-D2288 HydrophobicContact CG1-CB 4.32Å; V2286-D2288 VanDerWaalsContact O-CB 3.28Å; V2286-D2288 WeakPolarHBondContact O-CB 3.31Å; V2286-D2288 PolarHBondContact O-N 3.18Å; V2286-N2328 VanDerWaalsContact C-ND2 3.31Å
2287N88.3Confident87.7Confident16.2 Ų16.251.1 Ų51.19%0.08728%0.282CS..SBendtrans-6789.6178-165.926000110.7D2324 N2328 D2376 G2378 P2380 R2382N2287-D2324 VanDerWaalsContact CA-OD2 3.22Å; N2287-D2324 WeakPolarHBondContact CA-OD2 3.27Å; N2287-D2324 PolarHBondContact ND2-OD2 2.82Å; N2287-D2324 PolarHBondContact OD1-OD2 2.84Å; N2287-D2324 VanDerWaalsContact OD1-OD2 3.11Å; N2287-N2328 WeakPolarHBondContact CA-ND2 3.45Å; N2287-N2328 HydrophobicContact CB-CB 4.05Å; N2287-N2328 PolarHBondContact N-ND2 3.23Å; N2287-N2328 VanDerWaalsContact OD1-CA 3.25Å; N2287-N2328 WeakPolarHBondContact OD1-CA 3.36Å; N2287-N2328 WeakPolarHBondContact OD1-CB 3.22Å; N2287-N2328 PolarHBondContact OD1-O 2.82Å; N2287-N2328 VanDerWaalsContact OD1-O 3.11Å; N2287-D2376 VanDerWaalsContact ND2-CG 3.31Å; N2287-D2376 PolarHBondContact ND2-OD1 2.96Å; N2287-D2376 PolarHBondContact ND2-OD2 2.88Å; N2287-D2376 PolarHBondContact OD1-OD2 2.75Å; N2287-G2378 WeakPolarHBondContact ND2-CA 3.3Å; N2287-P2380 PolarHBondContact ND2-O 3.03Å; N2287-P2380 PolarHBondContact OD1-O 3.48Å; N2287-R2382 VanDerWaalsContact O-CZ 3.23Å; N2287-R2382 PolarHBondContact O-NE 3.15Å; N2287-R2382 PolarHBondContact O-NH2 2.92Å; N2287-R2382 VanDerWaalsContact OD1-CD 3.28Å; N2287-R2382 WeakPolarHBondContact OD1-CD 3.43Å; N2287-R2382 PolarHBondContact OD1-NE 2.92Å
2288D86.8Confident87.6Confident77.4 Ų77.453.6 Ų53.641%0.41429%0.294SS..  trans-117.9-28.1-163155.7-75.5000111.5V2286 D2324 R2382V2286-D2288 VanDerWaalsContact C-N 3.3Å; V2286-D2288 HydrophobicContact CB-CB 4.34Å; V2286-D2288 HydrophobicContact CG1-CB 4.32Å; V2286-D2288 VanDerWaalsContact O-CB 3.28Å; V2286-D2288 WeakPolarHBondContact O-CB 3.31Å; V2286-D2288 PolarHBondContact O-N 3.18Å; D2288-D2324 PolarHBondContact N-OD2 3.07Å; D2288-R2382 VanDerWaalsContact C-CZ 3.48Å; D2288-R2382 VanDerWaalsContact C-NH1 3.31Å; D2288-R2382 VanDerWaalsContact C-NH2 3.33Å; D2288-R2382 VanDerWaalsContact CA-NH2 3.29Å; D2288-R2382 VanDerWaalsContact O-CZ 3.27Å; D2288-R2382 PolarHBondContact O-NH1 3.18Å; D2288-R2382 PolarHBondContact O-NH2 3.1Å; D2288-R2382 VanDerWaalsContact O-NH2 3.1Å
2289N85.9Confident87.3Confident48.6 Ų48.653.8 Ų53.826%0.2630%0.304SS..SBendtrans-97.6-167.3176.2-67.3-81.3000112.2P2323 D2324 R2382N2289-P2323 HydrophobicContact CB-CB 4.31Å; N2289-P2323 HydrophobicContact CB-CG 3.58Å; N2289-P2323 VanDerWaalsContact CB-CG 3.43Å; N2289-P2323 VanDerWaalsContact CG-CG 3.43Å; N2289-D2324 VanDerWaalsContact CB-OD1 3.27Å; N2289-D2324 WeakPolarHBondContact CB-OD1 3.27Å; N2289-D2324 PolarHBondContact N-OD1 2.88Å; N2289-D2324 PolarHBondContact N-OD2 3.33Å; N2289-D2324 VanDerWaalsContact N-OD2 3.11Å; N2289-D2324 PolarHBondContact ND2-OD1 3.04Å; N2289-R2382 WeakPolarHBondContact O-CD 3.33Å; N2289-R2382 VanDerWaalsContact O-CZ 3.3Å; N2289-R2382 PolarHBondContact O-NE 3.06Å; N2289-R2382 PolarHBondContact O-NH1 2.96Å
2290T87.9Confident87.2Confident55 Ų5559.9 Ų59.934%0.33733%0.328SS..  trans-152.2143.5-178.5-13.20000109.4Q2292 D2322 R2382T2290-Q2292 WeakPolarHBondContact O-CG 3.44Å; T2290-Q2292 PolarHBondContact O-N 2.91Å; T2290-D2322 WeakPolarHBondContact CA-OD2 3.32Å; T2290-D2322 PolarHBondContact N-OD2 3.11Å; T2290-D2322 VanDerWaalsContact N-OD2 3.14Å; T2290-R2382 HydrophobicContact CG2-CB 4.02Å; T2290-R2382 WeakPolarHBondContact OG1-CD 3.47Å; T2290-R2382 PolarHBondContact OG1-NH1 3Å
2291P91.6Very high87.1Confident2.4 Ų2.459.7 Ų59.72%0.01632%0.323CS..  trans-61.4132.7-176.4-26.935.1000113.3A2320 V2321 D2322 I2331 A2374 D2376 R2382 A2384P2291-A2320 HydrophobicContact CB-CB 4.38Å; P2291-V2321 WeakPolarHBondContact CA-O 3.25Å; P2291-D2322 HydrophobicContact CB-CB 4.49Å; P2291-D2322 WeakPolarHBondContact CD-OD2 3.26Å; P2291-D2322 HydrophobicContact CG-CB 4.32Å; P2291-D2322 WeakPolarHBondContact CG-OD2 3.16Å; P2291-I2331 HydrophobicContact CB-CD1 3.97Å; P2291-I2331 HydrophobicContact CB-CG1 4.05Å; P2291-I2331 HydrophobicContact CG-CD1 4.46Å; P2291-I2331 HydrophobicContact CG-CG1 4.09Å; P2291-A2374 HydrophobicContact CB-CB 4.14Å; P2291-D2376 HydrophobicContact CG-CB 4.13Å; P2291-R2382 WeakPolarHBondContact CD-O 3.36Å; P2291-A2384 WeakPolarHBondContact O-CB 3.29Å
2292Q87.6Confident86.9Confident106.2 Ų106.263.6 Ų63.650%0.49635%0.348SS..EExtended strand (participates in β ladder)trans-119.6124.3179.7-59.8-173.317.100112.2T2290 F2296 A2320 V2321T2290-Q2292 WeakPolarHBondContact O-CG 3.44Å; T2290-Q2292 PolarHBondContact O-N 2.91Å; Q2292-F2296 HydrophobicContact CB-CD1 4.04Å; Q2292-F2296 HydrophobicContact CB-CE1 4.04Å; Q2292-A2320 CarbonylContact O-C 3.47Å; Q2292-A2320 WeakPolarHBondContact O-CA 3.22Å; Q2292-A2320 WeakPolarHBondContact O-CB 3.43Å; Q2292-V2321 PolarHBondContact N-O 3.03Å; Q2292-V2321 PolarHBondContact O-N 3.12Å
2293F90Very high86.7Confident17.2 Ų17.266.1 Ų66.18%0.07536%0.358CS..EExtended strand (participates in β ladder)trans-67.3147.3177.2-72.7-78.7000113.3P2295 F2296 I2298 Y2301 V2318 A2319 A2320 Y2333 V2372 A2374 A2384 I2386F2293-P2295 CarbonylContact O-C 3.56Å; F2293-F2296 WeakPolarHBondContact O-CA 3.3Å; F2293-F2296 WeakPolarHBondContact O-CD1 3.4Å; F2293-I2298 HydrophobicContact CB-CD1 4.33Å; F2293-I2298 HydrophobicContact CB-CG2 4.16Å; F2293-Y2301 HydrophobicContact CB-CE2 4.48Å; F2293-Y2301 HydrophobicContact CD1-CE2 4.31Å; F2293-V2318 HydrophobicContact CD1-CG2 4.5Å; F2293-V2318 HydrophobicContact CE1-CG2 4.22Å; F2293-A2319 CarbonylContact C-O 3.47Å; F2293-A2319 WeakPolarHBondContact CA-O 3.42Å; F2293-A2320 HydrophobicContact CD1-CB 3.96Å; F2293-A2320 HydrophobicContact CE1-CB 4.29Å; F2293-A2320 HydrophobicContact CG-CB 4.3Å; F2293-Y2333 HydrophobicContact CE1-CD1 4.28Å; F2293-Y2333 AromaticContact CE1-CE1 3.81Å; F2293-Y2333 HydrophobicContact CE1-CE1 4.13Å; F2293-V2372 HydrophobicContact CE1-CB 4.5Å; F2293-V2372 HydrophobicContact CE1-CG1 4.36Å; F2293-V2372 HydrophobicContact CZ-CB 4.41Å; F2293-V2372 HydrophobicContact CZ-CG1 4.37Å; F2293-V2372 WeakPolarHBondContact CZ-O 3.25Å; F2293-A2374 HydrophobicContact CE1-CB 3.96Å; F2293-A2374 HydrophobicContact CE2-CB 4.06Å; F2293-A2374 HydrophobicContact CZ-CB 3.55Å; F2293-A2374 VanDerWaalsContact CZ-CB 3.46Å; F2293-A2384 HydrophobicContact CD2-CB 4.29Å; F2293-A2384 HydrophobicContact CE2-CB 4.08Å; F2293-A2384 WeakPolarHBondContact CE2-O 3.43Å; F2293-I2386 HydrophobicContact CB-CD1 4.39Å; F2293-I2386 HydrophobicContact CD1-CG2 4.03Å; F2293-I2386 HydrophobicContact CD2-CB 4.07Å; F2293-I2386 HydrophobicContact CD2-CD1 4.46Å; F2293-I2386 HydrophobicContact CD2-CG2 3.8Å; F2293-I2386 HydrophobicContact CE1-CG2 3.82Å; F2293-I2386 HydrophobicContact CE2-CB 4Å; F2293-I2386 HydrophobicContact CE2-CG2 3.57Å; F2293-I2386 VanDerWaalsContact CE2-CG2 3.47Å; F2293-I2386 HydrophobicContact CG-CB 4.43Å; F2293-I2386 HydrophobicContact CG-CD1 4.49Å; F2293-I2386 HydrophobicContact CG-CG2 4.02Å; F2293-I2386 HydrophobicContact CZ-CB 4.41Å; F2293-I2386 HydrophobicContact CZ-CG2 3.59Å
2294K82.9Confident86.5Confident95 Ų9573.3 Ų73.341%0.41338%0.384SS..EExtended strand (participates in β ladder)trans-107.6137.6179.4-78.4-178.7170174.60112F2296 Y2301 A2319 V2321K2294-F2296 HydrophobicContact CD-CE1 4.48Å; K2294-F2296 HydrophobicContact CD-CZ 4.45Å; K2294-F2296 VanDerWaalsContact CE-CZ 3.44Å; K2294-F2296 HydrophobicContact CG-CD1 4.21Å; K2294-F2296 HydrophobicContact CG-CE1 3.79Å; K2294-F2296 HydrophobicContact CG-CZ 4.02Å; K2294-Y2301 PolarHBondContact O-OH 3.14Å; K2294-A2319 PolarHBondContact N-O 3.1Å; K2294-V2321 HydrophobicContact CD-CG1 4.37Å; K2294-V2321 HydrophobicContact CD-CG2 4.03Å; K2294-V2321 VanDerWaalsContact CE-CG1 3.47Å; K2294-V2321 VanDerWaalsContact CE-CG2 3.44Å; K2294-V2321 VanDerWaalsContact NZ-CG1 3.34Å
2295P83.2Confident86.3Confident91.6 Ų91.670.5 Ų70.560%0.59537%0.37SS*.SBendcis-69.9144.2-228.6-34.2000112.2F2293 G2297 I2298F2293-P2295 CarbonylContact O-C 3.56Å; P2295-G2297 PolarHBondContact O-N 2.96Å; P2295-G2297 VanDerWaalsContact O-N 3.09Å; P2295-I2298 HydrophobicContact CG-CB 4.47Å; P2295-I2298 HydrophobicContact CG-CD1 4.44Å; P2295-I2298 HydrophobicContact CG-CG2 3.82Å; P2295-I2298 WeakPolarHBondContact O-CB 3.3Å; P2295-I2298 WeakPolarHBondContact O-CG1 3.41Å; P2295-I2298 WeakPolarHBondContact O-CG2 3.3Å; P2295-I2298 PolarHBondContact O-N 3.09Å; P2295-I2298 VanDerWaalsContact O-N 3.11Å
2296F79.3Confident86.1Confident128.6 Ų128.674.2 Ų74.256%0.56439%0.389SS*.THydrogen-bonded Turntrans-58.8127.1-174.6-57.5-58.7000111.5Q2292 F2293 K2294 V2321Q2292-F2296 HydrophobicContact CB-CD1 4.04Å; Q2292-F2296 HydrophobicContact CB-CE1 4.04Å; F2293-F2296 WeakPolarHBondContact O-CA 3.3Å; F2293-F2296 WeakPolarHBondContact O-CD1 3.4Å; K2294-F2296 HydrophobicContact CD-CE1 4.48Å; K2294-F2296 HydrophobicContact CD-CZ 4.45Å; K2294-F2296 VanDerWaalsContact CE-CZ 3.44Å; K2294-F2296 HydrophobicContact CG-CD1 4.21Å; K2294-F2296 HydrophobicContact CG-CE1 3.79Å; K2294-F2296 HydrophobicContact CG-CZ 4.02Å; F2296-V2321 HydrophobicContact CE1-CG2 3.76Å; F2296-V2321 HydrophobicContact CZ-CG2 3.82Å
2297G78.7Confident86Confident77.4 Ų77.472.7 Ų72.780%0.79838%0.379SS*.THydrogen-bonded Turntrans97.82.9-17800000115.9P2295P2295-G2297 PolarHBondContact O-N 2.96Å; P2295-G2297 VanDerWaalsContact O-N 3.09Å
2298I84.5Confident85.7Confident53.4 Ų53.473.9 Ų73.927%0.27440%0.396SS..  trans-66.3145172.3177.9164.6000112.4F2293 P2295 Y2300 Y2301 I2386F2293-I2298 HydrophobicContact CB-CD1 4.33Å; F2293-I2298 HydrophobicContact CB-CG2 4.16Å; P2295-I2298 HydrophobicContact CG-CB 4.47Å; P2295-I2298 HydrophobicContact CG-CD1 4.44Å; P2295-I2298 HydrophobicContact CG-CG2 3.82Å; P2295-I2298 WeakPolarHBondContact O-CB 3.3Å; P2295-I2298 WeakPolarHBondContact O-CG1 3.41Å; P2295-I2298 WeakPolarHBondContact O-CG2 3.3Å; P2295-I2298 PolarHBondContact O-N 3.09Å; P2295-I2298 VanDerWaalsContact O-N 3.11Å; I2298-Y2300 VanDerWaalsContact CD1-O 3.32Å; I2298-Y2300 WeakPolarHBondContact CD1-O 3.35Å; I2298-Y2300 WeakPolarHBondContact CG1-O 3.25Å; I2298-Y2301 HydrophobicContact CD1-CD1 3.96Å; I2298-Y2301 HydrophobicContact CD1-CD2 4.39Å; I2298-Y2301 HydrophobicContact CD1-CE1 3.61Å; I2298-Y2301 VanDerWaalsContact CD1-CE1 3.5Å; I2298-Y2301 HydrophobicContact CD1-CE2 4.07Å; I2298-Y2301 HydrophobicContact CD1-CG 4.23Å; I2298-Y2301 WeakPolarHBondContact CD1-OH 3.27Å; I2298-I2386 HydrophobicContact CB-CD1 4.37Å; I2298-I2386 HydrophobicContact CD1-CD1 3.5Å; I2298-I2386 VanDerWaalsContact CD1-CD1 3.5Å; I2298-I2386 HydrophobicContact CG1-CD1 4.11Å; I2298-I2386 HydrophobicContact CG2-CD1 3.69Å; I2298-I2386 WeakPolarHBondContact O-CD1 3.37Å
2299T85.2Confident85.5Confident103.8 Ų103.870.7 Ų70.764%0.63738%0.38SS*.  trans-114.6-19.5-177.8530000115P2387T2299-P2387 WeakPolarHBondContact O-CD 3.2Å
2300Y90Very high85.5Confident129.4 Ų129.472 Ų7251%0.50739%0.39SS..  trans-163160.1173.660.3-92.1000110.2I2298 T2302 P2387 Y2389I2298-Y2300 VanDerWaalsContact CD1-O 3.32Å; I2298-Y2300 WeakPolarHBondContact CD1-O 3.35Å; I2298-Y2300 WeakPolarHBondContact CG1-O 3.25Å; Y2300-T2302 HydrophobicContact CD2-CG2 4.37Å; Y2300-T2302 HydrophobicContact CE2-CG2 4.06Å; Y2300-P2387 CarbonylContact C-O 3.5Å; Y2300-P2387 VanDerWaalsContact CA-O 3.27Å; Y2300-P2387 WeakPolarHBondContact CA-O 3.36Å; Y2300-P2387 WeakPolarHBondContact CB-O 3.15Å; Y2300-Y2389 HydrophobicContact CD2-CD2 4.27Å; Y2300-Y2389 HydrophobicContact CD2-CE2 4.39Å; Y2300-Y2389 HydrophobicContact CG-CD2 4.21Å; Y2300-Y2389 HydrophobicContact CG-CE2 4.31Å
2301Y88.6Confident85.4Confident31.4 Ų31.473.1 Ų73.112%0.12340%0.398CS..EExtended strand (participates in β ladder)trans-108.1149.5166.9-65-91.3000111.1F2293 K2294 I2298 I2316 V2318 I2386 P2387 V2388 Y2389F2293-Y2301 HydrophobicContact CB-CE2 4.48Å; F2293-Y2301 HydrophobicContact CD1-CE2 4.31Å; K2294-Y2301 PolarHBondContact O-OH 3.14Å; I2298-Y2301 HydrophobicContact CD1-CD1 3.96Å; I2298-Y2301 HydrophobicContact CD1-CD2 4.39Å; I2298-Y2301 HydrophobicContact CD1-CE1 3.61Å; I2298-Y2301 VanDerWaalsContact CD1-CE1 3.5Å; I2298-Y2301 HydrophobicContact CD1-CE2 4.07Å; I2298-Y2301 HydrophobicContact CD1-CG 4.23Å; I2298-Y2301 WeakPolarHBondContact CD1-OH 3.27Å; Y2301-I2316 HydrophobicContact CD1-CD1 4.24Å; Y2301-I2316 HydrophobicContact CG-CD1 4.15Å; Y2301-V2318 HydrophobicContact CD1-CG1 4.3Å; Y2301-V2318 HydrophobicContact CD2-CG1 3.71Å; Y2301-V2318 HydrophobicContact CE1-CG1 4.08Å; Y2301-V2318 HydrophobicContact CE2-CB 3.97Å; Y2301-V2318 HydrophobicContact CE2-CG1 3.43Å; Y2301-V2318 VanDerWaalsContact CE2-CG1 3.44Å; Y2301-V2318 HydrophobicContact CG-CG1 4.13Å; Y2301-I2386 HydrophobicContact CD2-CD1 4.13Å; Y2301-I2386 HydrophobicContact CD2-CG1 4.42Å; Y2301-I2386 HydrophobicContact CD2-CG2 4.18Å; Y2301-I2386 HydrophobicContact CE2-CD1 3.85Å; Y2301-I2386 HydrophobicContact CE2-CG1 4.43Å; Y2301-I2386 HydrophobicContact CE2-CG2 4.06Å; Y2301-P2387 PolarHBondContact N-O 3.2Å; Y2301-V2388 HydrophobicContact CD2-CG2 4.23Å; Y2301-V2388 WeakPolarHBondContact O-CA 3.25Å; Y2301-Y2389 PolarHBondContact O-N 3.03Å; Y2301-Y2389 VanDerWaalsContact O-N 3.09Å
2302T88.6Confident85.1Confident82.6 Ų82.674.8 Ų74.851%0.50742%0.416SS..EExtended strand (participates in β ladder)trans-146.6137.6173.5175.70000111.2Y2300 Y2389Y2300-T2302 HydrophobicContact CD2-CG2 4.37Å; Y2300-T2302 HydrophobicContact CE2-CG2 4.06Å; T2302-Y2389 CarbonylContact C-O 3.51Å; T2302-Y2389 VanDerWaalsContact CA-O 3.25Å; T2302-Y2389 WeakPolarHBondContact CA-O 3.33Å; T2302-Y2389 HydrophobicContact CG2-CD2 4.03Å; T2302-Y2389 PolarHBondContact OG1-O 3.08Å
2303E86.7Confident85Confident108 Ų10872.2 Ų72.251%0.50541%0.407SS..EExtended strand (participates in β ladder)trans-148.3162.2-179.9-98.2-72.6173.400112.3L2315 I2316 Y2389 L2390 E2391E2303-L2315 VanDerWaalsContact OE2-O 3.12Å; E2303-I2316 HydrophobicContact CG-CD1 4.2Å; E2303-Y2389 PolarHBondContact N-O 2.97Å; E2303-Y2389 VanDerWaalsContact N-O 3.1Å; E2303-L2390 HydrophobicContact CB-CD2 3.8Å; E2303-L2390 WeakPolarHBondContact O-CA 3.32Å; E2303-E2391 PolarHBondContact O-N 3.12Å; E2303-E2391 VanDerWaalsContact O-N 3.16Å
2304R86.9Confident85Confident162 Ų16274.7 Ų74.761%0.61142%0.424SS*.EExtended strand (participates in β ladder)trans-109.8126.4173.6-75.5-178.3132.4-140.2-10.3110.3E2391 V2393R2304-E2391 WeakPolarHBondContact CA-O 3.26Å; R2304-E2391 HydrophobicContact CG-CB 4.25Å; R2304-E2391 HydrophobicContact CG-CG 4.45Å; R2304-E2391 WeakPolarHBondContact CG-OE2 3.37Å; R2304-E2391 IonicContact CZ-OE1 2.93Å; R2304-E2391 IonicContact CZ-OE2 3.21Å; R2304-E2391 VanDerWaalsContact CZ-OE2 3.28Å; R2304-E2391 IonicContact NE-OE1 3.48Å; R2304-E2391 IonicContact NE-OE2 3.4Å; R2304-E2391 PolarHBondContact NE-OE2 3.15Å; R2304-E2391 VanDerWaalsContact NH2-CD 3.29Å; R2304-E2391 IonicContact NH2-OE1 3.04Å; R2304-E2391 PolarHBondContact NH2-OE1 3.22Å; R2304-E2391 IonicContact NH2-OE2 3.21Å; R2304-E2391 PolarHBondContact NH2-OE2 2.98Å; R2304-E2391 VanDerWaalsContact NH2-OE2 3.14Å; R2304-V2393 HydrophobicContact CB-CG2 4.01Å; R2304-V2393 HydrophobicContact CG-CG2 3.89Å
2305V84.5Confident85.2Confident19.2 Ų19.270.7 Ų70.712%0.11641%0.407CS..EExtended strand (participates in β ladder)trans-120.2127-174.7-1750000108.9A2309 L2315 L2390 E2391 I2392 V2393V2305-A2309 HydrophobicContact CG1-CB 4.18Å; V2305-L2315 HydrophobicContact CG1-CD2 3.84Å; V2305-L2315 HydrophobicContact CG2-CD2 4.15Å; V2305-L2390 HydrophobicContact CG2-CB 4.29Å; V2305-L2390 HydrophobicContact CG2-CD1 4.36Å; V2305-L2390 HydrophobicContact CG2-CD2 4.38Å; V2305-E2391 PolarHBondContact N-O 3.03Å; V2305-I2392 HydrophobicContact CB-CD1 4.08Å; V2305-I2392 HydrophobicContact CG1-CD1 4.42Å; V2305-I2392 CarbonylContact O-C 3.48Å; V2305-I2392 VanDerWaalsContact O-CA 3.3Å; V2305-I2392 WeakPolarHBondContact O-CA 3.22Å; V2305-V2393 PolarHBondContact O-N 3.04Å
2306L83.4Confident85.6Confident110 Ų11067.2 Ų67.258%0.57638%0.383SS*.EExtended strand (participates in β ladder)trans-67.3145.4169.2-63171.7000109.2V2393 I2395L2306-V2393 HydrophobicContact CD2-CB 4.17Å; L2306-V2393 HydrophobicContact CD2-CG1 4.17Å; L2306-I2395 HydrophobicContact CB-CD1 4.46Å; L2306-I2395 HydrophobicContact CB-CG2 4.3Å; L2306-I2395 HydrophobicContact CD2-CG2 4Å
2307E84.9Confident86Confident11 Ų1164.2 Ų64.25%0.05138%0.382CS..SBendtrans-67177.7170.975-176125.200113A2309 V2360 Y2362 I2392 V2393 D2394 I2395E2307-A2309 VanDerWaalsContact C-N 3.27Å; E2307-A2309 PolarHBondContact O-N 3.05Å; E2307-V2360 CarbonylContact C-O 3.51Å; E2307-V2360 WeakPolarHBondContact CA-O 3.41Å; E2307-Y2362 VanDerWaalsContact CD-CB 3.45Å; E2307-Y2362 WeakPolarHBondContact OE1-CB 3.3Å; E2307-Y2362 WeakPolarHBondContact OE2-CA 3.45Å; E2307-Y2362 VanDerWaalsContact OE2-CB 3.24Å; E2307-Y2362 WeakPolarHBondContact OE2-CB 3.32Å; E2307-Y2362 PolarHBondContact OE2-N 3.12Å; E2307-I2392 HydrophobicContact CB-CG2 3.99Å; E2307-V2393 WeakPolarHBondContact CB-O 3.44Å; E2307-V2393 VanDerWaalsContact CG-O 3.31Å; E2307-V2393 WeakPolarHBondContact CG-O 3.32Å; E2307-V2393 PolarHBondContact N-O 2.93Å; E2307-D2394 VanDerWaalsContact OE1-C 3.23Å; E2307-D2394 VanDerWaalsContact OE1-CA 3.26Å; E2307-D2394 WeakPolarHBondContact OE1-CA 3.34Å; E2307-I2395 HydrophobicContact CG-CB 4.28Å; E2307-I2395 HydrophobicContact CG-CD1 3.87Å; E2307-I2395 HydrophobicContact CG-CG1 3.76Å; E2307-I2395 HydrophobicContact CG-CG2 4.4Å; E2307-I2395 PolarHBondContact OE1-N 3.04Å
2308G82.3Confident86.5Confident42.4 Ų42.460.8 Ų60.844%0.43735%0.346SS..  trans768.2-171.400000113.5T2310 V2360G2308-T2310 VanDerWaalsContact C-N 3.32Å; G2308-T2310 WeakPolarHBondContact O-CG2 3.31Å; G2308-T2310 PolarHBondContact O-N 3.17Å; G2308-V2360 PolarHBondContact N-O 3.08Å
2309A82.3Confident86.7Confident9.4 Ų9.460.4 Ų60.48%0.07835%0.351CS..  trans-65.891.6176.600000110.8V2305 E2307 T2313 L2315 A2356 T2359 V2360V2305-A2309 HydrophobicContact CG1-CB 4.18Å; E2307-A2309 VanDerWaalsContact C-N 3.27Å; E2307-A2309 PolarHBondContact O-N 3.05Å; A2309-T2313 HydrophobicContact CB-CG2 4.03Å; A2309-T2313 WeakPolarHBondContact CB-OG1 3.25Å; A2309-L2315 HydrophobicContact CB-CD2 4.11Å; A2309-A2356 VanDerWaalsContact O-CB 3.3Å; A2309-A2356 WeakPolarHBondContact O-CB 3.17Å; A2309-T2359 WeakPolarHBondContact O-CA 3.32Å; A2309-V2360 HydrophobicContact CB-CB 4.14Å; A2309-V2360 HydrophobicContact CB-CG2 4.06Å; A2309-V2360 PolarHBondContact O-N 3.05Å
2310T85.8Confident86.9Confident77 Ų7756 Ų5647%0.47233%0.325SS..  trans-65.2158.4-176.456.80000113.1G2308 G2312 T2313 A2356 T2359G2308-T2310 VanDerWaalsContact C-N 3.32Å; G2308-T2310 WeakPolarHBondContact O-CG2 3.31Å; G2308-T2310 PolarHBondContact O-N 3.17Å; T2310-G2312 PolarHBondContact O-N 3.13Å; T2310-T2313 PolarHBondContact N-OG1 3.09Å; T2310-T2313 WeakPolarHBondContact O-CB 3.33Å; T2310-T2313 WeakPolarHBondContact O-CG2 3.18Å; T2310-T2313 PolarHBondContact O-N 3.34Å; T2310-T2313 PolarHBondContact O-OG1 3.03Å; T2310-T2313 PolarHBondContact OG1-OG1 3.14Å; T2310-A2356 WeakPolarHBondContact O-CB 3.37Å; T2310-T2359 HydrophobicContact CG2-CG2 4.32Å
2311P85.9Confident86.8Confident76.8 Ų76.852.6 Ų52.650%0.49932%0.317SS..THydrogen-bonded Turntrans-51.3126.8177.3-27.134.8000112.8A2356P2311-A2356 CarbonylContact C-O 3.52Å; P2311-A2356 VanDerWaalsContact CA-O 3.28Å; P2311-A2356 WeakPolarHBondContact CA-O 3.25Å
2312G85.3Confident86.8Confident38.2 Ų38.251.8 Ų51.839%0.39432%0.315SS..THydrogen-bonded Turntrans95.9-14.7-17300000115.1T2310 T2314 I2355 A2356T2310-G2312 PolarHBondContact O-N 3.13Å; G2312-T2314 PolarHBondContact O-N 2.89Å; G2312-I2355 WeakPolarHBondContact O-CG2 3.34Å; G2312-A2356 PolarHBondContact N-O 3.1Å
2313T86.7Confident86.7Confident52.8 Ų52.850.9 Ų50.932%0.32431%0.311SS..  trans-62.9134172.8-43.40000110A2309 T2310 L2315 I2355 A2356A2309-T2313 HydrophobicContact CB-CG2 4.03Å; A2309-T2313 WeakPolarHBondContact CB-OG1 3.25Å; T2310-T2313 PolarHBondContact N-OG1 3.09Å; T2310-T2313 WeakPolarHBondContact O-CB 3.33Å; T2310-T2313 WeakPolarHBondContact O-CG2 3.18Å; T2310-T2313 PolarHBondContact O-N 3.34Å; T2310-T2313 PolarHBondContact O-OG1 3.03Å; T2310-T2313 PolarHBondContact OG1-OG1 3.14Å; T2313-L2315 PolarHBondContact O-N 2.86Å; T2313-I2355 CarbonylContact O-C 3.5Å; T2313-I2355 VanDerWaalsContact O-CA 3.25Å; T2313-I2355 WeakPolarHBondContact O-CA 3.34Å; T2313-I2355 WeakPolarHBondContact O-CB 3.25Å; T2313-A2356 PolarHBondContact O-N 3.14Å; T2313-A2356 WeakPolarHBondContact OG1-CB 3.48Å
2314T88.2Confident86.8Confident68.4 Ų68.446.1 Ų46.142%0.4229%0.289SS..EExtended strand (participates in β ladder)trans-77.9122.8180-52.70000110.3G2312 K2353G2312-T2314 PolarHBondContact O-N 2.89Å; T2314-K2353 HydrophobicContact CG2-CD 4.06Å; T2314-K2353 VanDerWaalsContact CG2-CE 3.5Å; T2314-K2353 HydrophobicContact CG2-CG 3.71Å; T2314-K2353 WeakPolarHBondContact OG1-CE 3.27Å
2315L88.8Confident86.6Confident12.2 Ų12.242.7 Ų42.76%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-93.6-41.9-179.7-60.8174.2000111.2E2303 V2305 A2309 T2313 V2344 V2354 A2356 V2360 L2368 L2390E2303-L2315 VanDerWaalsContact OE2-O 3.12Å; V2305-L2315 HydrophobicContact CG1-CD2 3.84Å; V2305-L2315 HydrophobicContact CG2-CD2 4.15Å; A2309-L2315 HydrophobicContact CB-CD2 4.11Å; T2313-L2315 PolarHBondContact O-N 2.86Å; L2315-V2344 HydrophobicContact CD1-CB 4.36Å; L2315-V2344 HydrophobicContact CD1-CG1 3.54Å; L2315-V2344 VanDerWaalsContact CD1-CG1 3.5Å; L2315-V2354 PolarHBondContact N-O 2.86Å; L2315-A2356 HydrophobicContact CD1-CB 4.19Å; L2315-A2356 HydrophobicContact CD2-CB 4.34Å; L2315-A2356 HydrophobicContact CG-CB 4.31Å; L2315-V2360 HydrophobicContact CD2-CG2 4.2Å; L2315-L2368 HydrophobicContact CD1-CD1 4.35Å; L2315-L2390 HydrophobicContact CB-CD1 3.9Å; L2315-L2390 HydrophobicContact CD1-CD1 4.27Å; L2315-L2390 HydrophobicContact CG-CD1 4.46Å
2316I90Very high86.6Confident16.8 Ų16.844.8 Ų44.89%0.08630%0.303CS..EExtended strand (participates in β ladder)trans-160.8156.1175.3-169164.5000110.2Y2301 E2303 V2318 V2354 F2370 V2388 L2390Y2301-I2316 HydrophobicContact CD1-CD1 4.24Å; Y2301-I2316 HydrophobicContact CG-CD1 4.15Å; E2303-I2316 HydrophobicContact CG-CD1 4.2Å; I2316-V2318 HydrophobicContact CD1-CG1 4.34Å; I2316-V2318 HydrophobicContact CG1-CG1 4.35Å; I2316-V2354 HydrophobicContact CG2-CB 3.88Å; I2316-V2354 HydrophobicContact CG2-CG1 4.48Å; I2316-V2354 HydrophobicContact CG2-CG2 4.11Å; I2316-V2354 PolarHBondContact N-O 2.95Å; I2316-V2354 WeakPolarHBondContact O-CA 3.22Å; I2316-V2354 PolarHBondContact O-N 2.94Å; I2316-F2370 HydrophobicContact CG2-CE2 4.43Å; I2316-F2370 HydrophobicContact CG2-CZ 4Å; I2316-V2388 HydrophobicContact CD1-CG1 4.07Å; I2316-V2388 HydrophobicContact CG2-CG1 4.27Å; I2316-L2390 HydrophobicContact CB-CD2 4.33Å; I2316-L2390 HydrophobicContact CD1-CD2 4.37Å; I2316-L2390 HydrophobicContact CG2-CD2 4.32Å
2317A88.9Confident86.6Confident66.2 Ų66.244.8 Ų44.855%0.54730%0.304SS..EExtended strand (participates in β ladder)trans-125.8128.8170.100000110.4K2353A2317-K2353 HydrophobicContact CB-CB 4.4Å; A2317-K2353 HydrophobicContact CB-CG 4.39Å
2318V88.7Confident86.6Confident4.8 Ų4.845.7 Ų45.73%0.02931%0.309CS..  trans-118.5150177.3-56.50000110.2F2293 Y2301 I2316 Y2333 G2352 V2372F2293-V2318 HydrophobicContact CD1-CG2 4.5Å; F2293-V2318 HydrophobicContact CE1-CG2 4.22Å; Y2301-V2318 HydrophobicContact CD1-CG1 4.3Å; Y2301-V2318 HydrophobicContact CD2-CG1 3.71Å; Y2301-V2318 HydrophobicContact CE1-CG1 4.08Å; Y2301-V2318 HydrophobicContact CE2-CB 3.97Å; Y2301-V2318 HydrophobicContact CE2-CG1 3.43Å; Y2301-V2318 VanDerWaalsContact CE2-CG1 3.44Å; Y2301-V2318 HydrophobicContact CG-CG1 4.13Å; I2316-V2318 HydrophobicContact CD1-CG1 4.34Å; I2316-V2318 HydrophobicContact CG1-CG1 4.35Å; V2318-Y2333 HydrophobicContact CG2-CD1 4.46Å; V2318-Y2333 HydrophobicContact CG2-CE1 4.5Å; V2318-G2352 WeakPolarHBondContact CG2-O 3.27Å; V2318-G2352 PolarHBondContact N-O 2.91Å; V2318-G2352 WeakPolarHBondContact O-CA 3.27Å; V2318-V2372 HydrophobicContact CG2-CB 4.27Å; V2318-V2372 HydrophobicContact CG2-CG1 3.81Å; V2318-V2372 HydrophobicContact CG2-CG2 4.17Å
2319A89.1Confident86.7Confident46.8 Ų46.844.6 Ų44.639%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-134.5144.9-179.300000111.1F2293 K2294 Y2333F2293-A2319 CarbonylContact C-O 3.47Å; F2293-A2319 WeakPolarHBondContact CA-O 3.42Å; K2294-A2319 PolarHBondContact N-O 3.1Å; A2319-Y2333 WeakPolarHBondContact CA-OH 3.4Å
2320A88.8Confident86.9Confident11.4 Ų11.448.3 Ų48.39%0.09432%0.315CS..EExtended strand (participates in β ladder)trans-132162.6172.700000110.6P2291 Q2292 F2293 I2331 Y2333 A2374P2291-A2320 HydrophobicContact CB-CB 4.38Å; Q2292-A2320 CarbonylContact O-C 3.47Å; Q2292-A2320 WeakPolarHBondContact O-CA 3.22Å; Q2292-A2320 WeakPolarHBondContact O-CB 3.43Å; F2293-A2320 HydrophobicContact CD1-CB 3.96Å; F2293-A2320 HydrophobicContact CE1-CB 4.29Å; F2293-A2320 HydrophobicContact CG-CB 4.3Å; A2320-I2331 VanDerWaalsContact C-CD1 3.45Å; A2320-I2331 HydrophobicContact CB-CD1 3.89Å; A2320-I2331 WeakPolarHBondContact O-CD1 3.33Å; A2320-Y2333 HydrophobicContact CB-CE1 4.14Å; A2320-Y2333 WeakPolarHBondContact CB-OH 3.13Å; A2320-Y2333 PolarHBondContact N-OH 3.04Å; A2320-Y2333 PolarHBondContact O-OH 2.78Å; A2320-A2374 HydrophobicContact CB-CB 3.84Å
2321V88.3Confident87.1Confident56.2 Ų56.245.5 Ų45.534%0.34130%0.297SS..EExtended strand (participates in β ladder)trans-136.2141.2175.4-171.90000110.2P2291 Q2292 K2294 F2296 I2331P2291-V2321 WeakPolarHBondContact CA-O 3.25Å; Q2292-V2321 PolarHBondContact N-O 3.03Å; Q2292-V2321 PolarHBondContact O-N 3.12Å; K2294-V2321 HydrophobicContact CD-CG1 4.37Å; K2294-V2321 HydrophobicContact CD-CG2 4.03Å; K2294-V2321 VanDerWaalsContact CE-CG1 3.47Å; K2294-V2321 VanDerWaalsContact CE-CG2 3.44Å; K2294-V2321 VanDerWaalsContact NZ-CG1 3.34Å; F2296-V2321 HydrophobicContact CE1-CG2 3.76Å; F2296-V2321 HydrophobicContact CZ-CG2 3.82Å; V2321-I2331 VanDerWaalsContact CA-CD1 3.41Å
2322D88.6Confident87.4Confident14.6 Ų14.643.6 Ų43.68%0.07829%0.285CS..  trans-124.6131.6170-162.7-57.7000107.9T2290 P2291 D2324 I2331T2290-D2322 WeakPolarHBondContact CA-OD2 3.32Å; T2290-D2322 PolarHBondContact N-OD2 3.11Å; T2290-D2322 VanDerWaalsContact N-OD2 3.14Å; P2291-D2322 HydrophobicContact CB-CB 4.49Å; P2291-D2322 WeakPolarHBondContact CD-OD2 3.26Å; P2291-D2322 HydrophobicContact CG-CB 4.32Å; P2291-D2322 WeakPolarHBondContact CG-OD2 3.16Å; D2322-D2324 VanDerWaalsContact C-N 3.32Å; D2322-D2324 PolarHBondContact O-N 3.4Å; D2322-D2324 WeakPolarHBondContact OD1-CB 3.36Å; D2322-D2324 PolarHBondContact OD1-N 3.17Å; D2322-D2324 VanDerWaalsContact OD1-N 3.11Å; D2322-I2331 HydrophobicContact CB-CD1 4.15Å; D2322-I2331 HydrophobicContact CB-CG1 4.19Å
2323P86.5Confident87.7Confident64.6 Ų64.642.5 Ų42.542%0.41927%0.269SS..  trans-77.7-15.9-178.223.1-25.6000115.2R2248 E2249 N2289R2248-P2323 PolarHBondContact NH2-O 3.32Å; R2248-P2323 VanDerWaalsContact NH2-O 3.08Å; E2249-P2323 HydrophobicContact CB-CB 4.44Å; E2249-P2323 HydrophobicContact CG-CB 3.88Å; E2249-P2323 VanDerWaalsContact CG-CB 3.48Å; E2249-P2323 HydrophobicContact CG-CG 4.28Å; N2289-P2323 HydrophobicContact CB-CB 4.31Å; N2289-P2323 HydrophobicContact CB-CG 3.58Å; N2289-P2323 VanDerWaalsContact CB-CG 3.43Å; N2289-P2323 VanDerWaalsContact CG-CG 3.43Å
2324D88.8Confident88Confident7.2 Ų7.242.9 Ų42.94%0.03927%0.271CS..SBendtrans-65.7167.8-177.9-65.1-4.7000111.4N2287 D2288 N2289 D2322 N2328 G2329N2287-D2324 VanDerWaalsContact CA-OD2 3.22Å; N2287-D2324 WeakPolarHBondContact CA-OD2 3.27Å; N2287-D2324 PolarHBondContact ND2-OD2 2.82Å; N2287-D2324 PolarHBondContact OD1-OD2 2.84Å; N2287-D2324 VanDerWaalsContact OD1-OD2 3.11Å; D2288-D2324 PolarHBondContact N-OD2 3.07Å; N2289-D2324 VanDerWaalsContact CB-OD1 3.27Å; N2289-D2324 WeakPolarHBondContact CB-OD1 3.27Å; N2289-D2324 PolarHBondContact N-OD1 2.88Å; N2289-D2324 PolarHBondContact N-OD2 3.33Å; N2289-D2324 VanDerWaalsContact N-OD2 3.11Å; N2289-D2324 PolarHBondContact ND2-OD1 3.04Å; D2322-D2324 VanDerWaalsContact C-N 3.32Å; D2322-D2324 PolarHBondContact O-N 3.4Å; D2322-D2324 WeakPolarHBondContact OD1-CB 3.36Å; D2322-D2324 PolarHBondContact OD1-N 3.17Å; D2322-D2324 VanDerWaalsContact OD1-N 3.11Å; D2324-N2328 HydrophobicContact CB-CB 3.58Å; D2324-N2328 VanDerWaalsContact CB-CB 3.49Å; D2324-G2329 WeakPolarHBondContact O-CA 3.41Å; D2324-G2329 PolarHBondContact O-N 2.97Å
2325K83Confident88.2Confident91.2 Ų91.241.2 Ų41.240%0.39726%0.259SS..  trans-103.3155.1-175.5-83-80.6-177.9153.90115D2219 R2248 D2285 L2327 N2328 G2329D2219-K2325 IonicContact OD1-NZ 3.6Å; D2219-K2325 PolarHBondContact OD1-NZ 2.96Å; D2219-K2325 VanDerWaalsContact OD2-CE 3.28Å; D2219-K2325 WeakPolarHBondContact OD2-CE 3.32Å; D2219-K2325 IonicContact OD2-NZ 2.99Å; D2219-K2325 PolarHBondContact OD2-NZ 3.1Å; D2219-K2325 VanDerWaalsContact OD2-NZ 3.16Å; R2248-K2325 VanDerWaalsContact CZ-CE 3.41Å; R2248-K2325 VanDerWaalsContact CZ-CG 3.41Å; R2248-K2325 VanDerWaalsContact NE-CG 3.34Å; R2248-K2325 VanDerWaalsContact NH1-CE 3.34Å; R2248-K2325 VanDerWaalsContact NH1-CG 3.33Å; D2285-K2325 HydrophobicContact CB-CB 4.21Å; D2285-K2325 VanDerWaalsContact CG-N 3.29Å; D2285-K2325 VanDerWaalsContact OD1-CB 3.29Å; D2285-K2325 WeakPolarHBondContact OD1-CB 3.34Å; D2285-K2325 PolarHBondContact OD1-N 3.08Å; D2285-K2325 PolarHBondContact OD2-N 2.94Å; K2325-L2327 PolarHBondContact O-N 3.06Å; K2325-L2327 VanDerWaalsContact O-N 3.15Å; K2325-N2328 WeakPolarHBondContact O-CB 3.38Å; K2325-N2328 PolarHBondContact O-N 2.9Å; K2325-G2329 PolarHBondContact O-N 2.94Å
2326G83.7Confident88.3Confident62.2 Ų62.243.5 Ų43.564%0.64127%0.271SS*.THydrogen-bonded Turntrans62.2-121.2174.700000111.2N2328 G2329 L2330G2326-N2328 VanDerWaalsContact C-N 3.3Å; G2326-N2328 PolarHBondContact O-N 3.21Å; G2326-G2329 PolarHBondContact O-N 3.08Å; G2326-L2330 WeakPolarHBondContact O-CB 3.35Å; G2326-L2330 PolarHBondContact O-N 3.02Å; G2326-L2330 VanDerWaalsContact O-N 3.17Å
2327L83.6Confident88.1Confident111.6 Ų111.647.8 Ų47.858%0.58429%0.294SS*.THydrogen-bonded Turntrans-74.3-27.7179.9-65.5175.5000113.1K2325 G2329 L2330 N2377 G2378K2325-L2327 PolarHBondContact O-N 3.06Å; K2325-L2327 VanDerWaalsContact O-N 3.15Å; L2327-G2329 VanDerWaalsContact C-N 3.33Å; L2327-G2329 PolarHBondContact O-N 2.79Å; L2327-L2330 HydrophobicContact CD2-CD2 4.08Å; L2327-L2330 PolarHBondContact O-N 3.08Å; L2327-N2377 HydrophobicContact CB-CB 4.32Å; L2327-N2377 HydrophobicContact CD2-CB 4.38Å; L2327-N2377 CarbonylContact O-C 3.52Å; L2327-N2377 VanDerWaalsContact O-C 3.28Å; L2327-N2377 VanDerWaalsContact O-CA 3.32Å; L2327-N2377 WeakPolarHBondContact O-CA 3.28Å; L2327-N2377 VanDerWaalsContact O-CB 3.29Å; L2327-N2377 WeakPolarHBondContact O-CB 3.4Å; L2327-N2377 PolarHBondContact O-N 3.11Å; L2327-N2377 VanDerWaalsContact O-N 3.15Å; L2327-G2378 PolarHBondContact O-N 3.15Å
2328N85.5Confident88Confident28.4 Ų28.447.5 Ų47.515%0.15228%0.283CS..THydrogen-bonded Turntrans-70.3-35179.1-61.3-16.5000110.9D2285 V2286 N2287 D2324 K2325 G2326 L2330 D2376 G2378D2285-N2328 PolarHBondContact O-ND2 2.97Å; D2285-N2328 VanDerWaalsContact OD2-CB 3.27Å; D2285-N2328 WeakPolarHBondContact OD2-CB 3.21Å; D2285-N2328 PolarHBondContact OD2-ND2 2.89Å; V2286-N2328 VanDerWaalsContact C-ND2 3.31Å; N2287-N2328 WeakPolarHBondContact CA-ND2 3.45Å; N2287-N2328 HydrophobicContact CB-CB 4.05Å; N2287-N2328 PolarHBondContact N-ND2 3.23Å; N2287-N2328 VanDerWaalsContact OD1-CA 3.25Å; N2287-N2328 WeakPolarHBondContact OD1-CA 3.36Å; N2287-N2328 WeakPolarHBondContact OD1-CB 3.22Å; N2287-N2328 PolarHBondContact OD1-O 2.82Å; N2287-N2328 VanDerWaalsContact OD1-O 3.11Å; D2324-N2328 HydrophobicContact CB-CB 3.58Å; D2324-N2328 VanDerWaalsContact CB-CB 3.49Å; K2325-N2328 WeakPolarHBondContact O-CB 3.38Å; K2325-N2328 PolarHBondContact O-N 2.9Å; G2326-N2328 VanDerWaalsContact C-N 3.3Å; G2326-N2328 PolarHBondContact O-N 3.21Å; N2328-L2330 VanDerWaalsContact C-N 3.31Å; N2328-L2330 PolarHBondContact O-N 3.02Å; N2328-D2376 WeakPolarHBondContact O-CB 3.31Å; N2328-G2378 VanDerWaalsContact OD1-CA 3.26Å; N2328-G2378 WeakPolarHBondContact OD1-CA 3.35Å
2329G84.1Confident87.8Confident19 Ų1951.1 Ų51.120%0.19631%0.305CS..SBendtrans-84.4-8.2171.100000115.7D2324 K2325 G2326 L2327 I2331D2324-G2329 WeakPolarHBondContact O-CA 3.41Å; D2324-G2329 PolarHBondContact O-N 2.97Å; K2325-G2329 PolarHBondContact O-N 2.94Å; G2326-G2329 PolarHBondContact O-N 3.08Å; L2327-G2329 VanDerWaalsContact C-N 3.33Å; L2327-G2329 PolarHBondContact O-N 2.79Å; G2329-I2331 PolarHBondContact O-N 3.14Å
2330L87.4Confident87.6Confident87.4 Ų87.451.2 Ų51.246%0.45830%0.302SS..  trans-86.1103.8-172-177.862.7000111.2G2326 L2327 N2328 D2376 N2377G2326-L2330 WeakPolarHBondContact O-CB 3.35Å; G2326-L2330 PolarHBondContact O-N 3.02Å; G2326-L2330 VanDerWaalsContact O-N 3.17Å; L2327-L2330 HydrophobicContact CD2-CD2 4.08Å; L2327-L2330 PolarHBondContact O-N 3.08Å; N2328-L2330 VanDerWaalsContact C-N 3.31Å; N2328-L2330 PolarHBondContact O-N 3.02Å; L2330-D2376 CarbonylContact O-C 3.43Å; L2330-D2376 WeakPolarHBondContact O-CA 3.23Å; L2330-N2377 PolarHBondContact O-N 3Å; L2330-N2377 PolarHBondContact O-ND2 3.02Å
2331I89.7Confident87.3Confident17.8 Ų17.855.2 Ų55.29%0.09133%0.327CS..  trans-78.9136.6-177.9-63166.3000112P2291 A2320 V2321 D2322 G2329 Y2333 A2374 S2375P2291-I2331 HydrophobicContact CB-CD1 3.97Å; P2291-I2331 HydrophobicContact CB-CG1 4.05Å; P2291-I2331 HydrophobicContact CG-CD1 4.46Å; P2291-I2331 HydrophobicContact CG-CG1 4.09Å; A2320-I2331 VanDerWaalsContact C-CD1 3.45Å; A2320-I2331 HydrophobicContact CB-CD1 3.89Å; A2320-I2331 WeakPolarHBondContact O-CD1 3.33Å; V2321-I2331 VanDerWaalsContact CA-CD1 3.41Å; D2322-I2331 HydrophobicContact CB-CD1 4.15Å; D2322-I2331 HydrophobicContact CB-CG1 4.19Å; G2329-I2331 PolarHBondContact O-N 3.14Å; I2331-Y2333 HydrophobicContact CB-CE2 4.48Å; I2331-Y2333 HydrophobicContact CG2-CD1 4.41Å; I2331-Y2333 HydrophobicContact CG2-CD2 4.28Å; I2331-Y2333 HydrophobicContact CG2-CE1 4.09Å; I2331-Y2333 HydrophobicContact CG2-CE2 3.84Å; I2331-Y2333 HydrophobicContact CG2-CG 4.44Å; I2331-A2374 HydrophobicContact CG2-CB 3.8Å; I2331-S2375 CarbonylContact C-O 3.52Å; I2331-S2375 VanDerWaalsContact CA-O 3.28Å; I2331-S2375 WeakPolarHBondContact CA-O 3.41Å
2332T90.7Very high87.2Confident38.4 Ų38.454 Ų5424%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-116.7134.3164.5530000110.6S2349 A2374 S2375 N2377T2332-S2349 CarbonylContact C-O 3.48Å; T2332-S2349 WeakPolarHBondContact CA-O 3.18Å; T2332-A2374 WeakPolarHBondContact O-CA 3.36Å; T2332-S2375 PolarHBondContact N-O 3.08Å; T2332-S2375 PolarHBondContact O-N 3.16Å; T2332-S2375 PolarHBondContact OG1-O 2.85Å; T2332-N2377 WeakPolarHBondContact CG2-ND2 3.24Å; T2332-N2377 WeakPolarHBondContact CG2-OD1 3.2Å; T2332-N2377 PolarHBondContact OG1-OD1 3.23Å
2333Y93.1Very high87.1Confident15 Ų1553.8 Ų53.86%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-96.9141.3177.6-60-87.4000110.7F2293 V2318 A2319 A2320 I2331 L2346 S2349 S2350 G2352 V2372 R2373 A2374F2293-Y2333 HydrophobicContact CE1-CD1 4.28Å; F2293-Y2333 AromaticContact CE1-CE1 3.81Å; F2293-Y2333 HydrophobicContact CE1-CE1 4.13Å; V2318-Y2333 HydrophobicContact CG2-CD1 4.46Å; V2318-Y2333 HydrophobicContact CG2-CE1 4.5Å; A2319-Y2333 WeakPolarHBondContact CA-OH 3.4Å; A2320-Y2333 HydrophobicContact CB-CE1 4.14Å; A2320-Y2333 WeakPolarHBondContact CB-OH 3.13Å; A2320-Y2333 PolarHBondContact N-OH 3.04Å; A2320-Y2333 PolarHBondContact O-OH 2.78Å; I2331-Y2333 HydrophobicContact CB-CE2 4.48Å; I2331-Y2333 HydrophobicContact CG2-CD1 4.41Å; I2331-Y2333 HydrophobicContact CG2-CD2 4.28Å; I2331-Y2333 HydrophobicContact CG2-CE1 4.09Å; I2331-Y2333 HydrophobicContact CG2-CE2 3.84Å; I2331-Y2333 HydrophobicContact CG2-CG 4.44Å; Y2333-L2346 VanDerWaalsContact O-CD1 3.27Å; Y2333-L2346 WeakPolarHBondContact O-CD1 3.39Å; Y2333-S2349 VanDerWaalsContact CD2-O 3.29Å; Y2333-S2349 WeakPolarHBondContact CD2-O 3.27Å; Y2333-S2349 PolarHBondContact N-O 2.95Å; Y2333-S2350 WeakPolarHBondContact CE2-O 3.29Å; Y2333-G2352 VanDerWaalsContact CD2-CA 3.44Å; Y2333-G2352 VanDerWaalsContact CD2-N 3.27Å; Y2333-V2372 HydrophobicContact CD1-CG1 4.11Å; Y2333-R2373 CarbonylContact C-O 3.56Å; Y2333-R2373 VanDerWaalsContact CA-O 3.31Å; Y2333-R2373 WeakPolarHBondContact CA-O 3.37Å; Y2333-A2374 HydrophobicContact CD1-CB 4.07Å; Y2333-A2374 HydrophobicContact CE1-CB 3.93Å
2334T92.6Very high87.3Confident61 Ų6151.2 Ų51.237%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-137.8151.917348.90000110.2V2372 R2373T2334-V2372 CarbonylContact O-C 3.44Å; T2334-V2372 WeakPolarHBondContact O-CA 3.2Å; T2334-R2373 PolarHBondContact N-O 3Å; T2334-R2373 PolarHBondContact O-N 2.97Å; T2334-R2373 WeakPolarHBondContact OG1-CB 3.36Å; T2334-R2373 PolarHBondContact OG1-O 3.19Å
2335L92Very high87.4Confident32 Ų3254.4 Ų54.417%0.16832%0.321CS..EExtended strand (participates in β ladder)trans-103.9136.6176.1-57.1179.5000110.6L2338 V2344 L2346 V2354 F2370 T2371 V2372L2335-L2338 HydrophobicContact CB-CD2 3.88Å; L2335-L2338 HydrophobicContact CB-CG 4.45Å; L2335-L2338 HydrophobicContact CD1-CD2 4.22Å; L2335-V2344 HydrophobicContact CD1-CG2 4.1Å; L2335-L2346 HydrophobicContact CD1-CG 4.12Å; L2335-L2346 HydrophobicContact CD2-CD1 4.3Å; L2335-L2346 HydrophobicContact CD2-CD2 4.29Å; L2335-L2346 HydrophobicContact CD2-CG 4.12Å; L2335-L2346 HydrophobicContact CG-CD1 3.93Å; L2335-L2346 HydrophobicContact CG-CD2 4.49Å; L2335-L2346 HydrophobicContact CG-CG 3.84Å; L2335-V2354 HydrophobicContact CD1-CG1 4.25Å; L2335-V2354 HydrophobicContact CD2-CG2 4.04Å; L2335-F2370 HydrophobicContact CD2-CD2 3.99Å; L2335-F2370 HydrophobicContact CD2-CE2 4.21Å; L2335-T2371 CarbonylContact C-O 3.5Å; L2335-T2371 WeakPolarHBondContact CA-O 3.34Å; L2335-V2372 HydrophobicContact CD2-CB 4.44Å; L2335-V2372 HydrophobicContact CD2-CG1 4.4Å; L2335-V2372 HydrophobicContact CD2-CG2 3.78Å
2336L90.1Very high87.7Confident60 Ų6051.7 Ų51.731%0.31431%0.311SS..EExtended strand (participates in β ladder)trans-125.6167.4177.7-56.6174.1000109.1L2338 T2371 R2373 E2385L2336-L2338 PolarHBondContact O-N 3.28Å; L2336-T2371 HydrophobicContact CB-CG2 4.48Å; L2336-T2371 PolarHBondContact N-O 2.91Å; L2336-T2371 PolarHBondContact O-N 3.09Å; L2336-R2373 HydrophobicContact CD1-CB 4.03Å; L2336-R2373 HydrophobicContact CG-CB 4.42Å; L2336-E2385 HydrophobicContact CD1-CG 4.28Å; L2336-E2385 VanDerWaalsContact CD1-OE1 3.31Å; L2336-E2385 WeakPolarHBondContact CD1-OE1 3.45Å
2337D87.6Confident87.9Confident108 Ų10853.4 Ų53.458%0.57830%0.303SS*.EExtended strand (participates in β ladder)trans54.728.9171.3-49.4-42.4000116.8T2339 T2371D2337-T2339 PolarHBondContact O-N 3.04Å; D2337-T2339 VanDerWaalsContact O-N 3.12Å; D2337-T2339 PolarHBondContact O-OG1 2.98Å; D2337-T2339 VanDerWaalsContact O-OG1 3.06Å; D2337-T2371 VanDerWaalsContact OD2-CB 3.28Å; D2337-T2371 WeakPolarHBondContact OD2-CB 3.31Å; D2337-T2371 PolarHBondContact OD2-OG1 3.03Å
2338L86.7Confident87.9Confident59.2 Ų59.251.7 Ų51.731%0.3129%0.294SS..EExtended strand (participates in β ladder)trans-56.1104-177.1-60.6174.5000112.7L2335 L2336 P2340 P2341 V2344 F2370L2335-L2338 HydrophobicContact CB-CD2 3.88Å; L2335-L2338 HydrophobicContact CB-CG 4.45Å; L2335-L2338 HydrophobicContact CD1-CD2 4.22Å; L2336-L2338 PolarHBondContact O-N 3.28Å; L2338-P2340 CarbonylContact O-C 3.55Å; L2338-P2341 WeakPolarHBondContact O-CA 3.08Å; L2338-V2344 HydrophobicContact CD2-CG2 3.41Å; L2338-V2344 VanDerWaalsContact CD2-CG2 3.49Å; L2338-F2370 HydrophobicContact CD2-CB 3.84Å; L2338-F2370 HydrophobicContact CD2-CG 4.43Å
2339T83.3Confident87.9Confident81.2 Ų81.253.2 Ų53.250%0.49831%0.307SS..EExtended strand (participates in β ladder)trans-134.6111.3-17628.50000112D2337 N2369D2337-T2339 PolarHBondContact O-N 3.04Å; D2337-T2339 VanDerWaalsContact O-N 3.12Å; D2337-T2339 PolarHBondContact O-OG1 2.98Å; D2337-T2339 VanDerWaalsContact O-OG1 3.06Å; T2339-N2369 PolarHBondContact N-O 3.13Å; T2339-N2369 PolarHBondContact O-N 2.93Å; T2339-N2369 PolarHBondContact OG1-O 3.02Å; T2339-N2369 VanDerWaalsContact OG1-O 3.09Å
2340P84.8Confident87.9Confident48.4 Ų48.455.7 Ų55.731%0.31432%0.321SS..SBendcis-70.2152.9-7.910.6-6.8000113.1L2338 Y2343 V2365 W2367 L2368L2338-P2340 CarbonylContact O-C 3.55Å; P2340-Y2343 HydrophobicContact CB-CD2 4.12Å; P2340-Y2343 HydrophobicContact CB-CE2 4.06Å; P2340-Y2343 HydrophobicContact CG-CD2 3.87Å; P2340-Y2343 HydrophobicContact CG-CE2 3.78Å; P2340-V2365 HydrophobicContact CG-CB 4.39Å; P2340-V2365 HydrophobicContact CG-CG1 3.62Å; P2340-V2365 HydrophobicContact CG-CG2 3.68Å; P2340-W2367 VanDerWaalsContact CD-O 3.27Å; P2340-W2367 WeakPolarHBondContact CD-O 3.28Å; P2340-L2368 HydrophobicContact CG-CD2 4.19Å
2341P83.1Confident87.6Confident96.6 Ų96.653.9 Ų53.963%0.62732%0.319SS*.THydrogen-bonded Turntrans-69.1145.2-17828.3-35.3000112.4L2338 Y2343 R2358L2338-P2341 WeakPolarHBondContact O-CA 3.08Å; P2341-Y2343 VanDerWaalsContact C-N 3.35Å; P2341-Y2343 PolarHBondContact O-N 3.39Å; P2341-R2358 PolarHBondContact O-NH2 3.16Å
2342G85.1Confident87.3Confident29.2 Ų29.253.1 Ų53.130%0.30132%0.315SS..THydrogen-bonded Turntrans88.5-0.4169.700000116.5N2357 R2358G2342-N2357 WeakPolarHBondContact O-CB 3.23Å; G2342-N2357 PolarHBondContact O-ND2 3.25Å; G2342-R2358 VanDerWaalsContact CA-NH2 3.27Å; G2342-R2358 PolarHBondContact O-NE 3.37Å; G2342-R2358 PolarHBondContact O-NH2 3.21Å
2343Y88.5Confident87.3Confident10.8 Ų10.853.9 Ų53.94%0.04232%0.315CS..SBendtrans-80.8-30.4172.7-77.2-84.8000114.1P2340 P2341 A2356 N2357 R2358 T2359 V2360 E2364 V2365 L2368P2340-Y2343 HydrophobicContact CB-CD2 4.12Å; P2340-Y2343 HydrophobicContact CB-CE2 4.06Å; P2340-Y2343 HydrophobicContact CG-CD2 3.87Å; P2340-Y2343 HydrophobicContact CG-CE2 3.78Å; P2341-Y2343 VanDerWaalsContact C-N 3.35Å; P2341-Y2343 PolarHBondContact O-N 3.39Å; Y2343-A2356 CarbonylContact O-C 3.49Å; Y2343-A2356 WeakPolarHBondContact O-CA 3.27Å; Y2343-N2357 PolarHBondContact O-N 2.88Å; Y2343-R2358 HydrophobicContact CD1-CB 4.45Å; Y2343-R2358 VanDerWaalsContact CD1-CD 3.45Å; Y2343-R2358 HydrophobicContact CD1-CG 3.45Å; Y2343-R2358 VanDerWaalsContact CD1-CG 3.44Å; Y2343-R2358 VanDerWaalsContact CE1-CD 3.49Å; Y2343-R2358 HydrophobicContact CE1-CG 3.75Å; Y2343-R2358 VanDerWaalsContact CE1-CZ 3.44Å; Y2343-R2358 VanDerWaalsContact CE1-NE 3.29Å; Y2343-R2358 HydrophobicContact CG-CG 4.05Å; Y2343-R2358 VanDerWaalsContact CZ-NH1 3.32Å; Y2343-R2358 PolarHBondContact OH-NH1 3.2Å; Y2343-R2358 VanDerWaalsContact OH-NH1 3.15Å; Y2343-R2358 PolarHBondContact OH-NH2 2.92Å; Y2343-R2358 VanDerWaalsContact OH-NH2 3.09Å; Y2343-T2359 WeakPolarHBondContact CE1-O 3.28Å; Y2343-V2360 HydrophobicContact CD1-CG2 4.38Å; Y2343-E2364 WeakPolarHBondContact OH-CB 3.34Å; Y2343-E2364 PolarHBondContact OH-OE2 3.03Å; Y2343-V2365 HydrophobicContact CD1-CG1 4.05Å; Y2343-V2365 HydrophobicContact CD2-CG1 4.45Å; Y2343-V2365 HydrophobicContact CE1-CB 4.41Å; Y2343-V2365 HydrophobicContact CE1-CG1 3.41Å; Y2343-V2365 VanDerWaalsContact CE1-CG1 3.45Å; Y2343-V2365 HydrophobicContact CE1-CG2 4.29Å; Y2343-V2365 HydrophobicContact CE2-CB 4.11Å; Y2343-V2365 HydrophobicContact CE2-CG1 3.89Å; Y2343-V2365 HydrophobicContact CE2-CG2 4.2Å; Y2343-V2365 HydrophobicContact CG-CG1 4.49Å; Y2343-V2365 WeakPolarHBondContact OH-CG1 3.4Å; Y2343-V2365 WeakPolarHBondContact OH-CG2 3.34Å; Y2343-L2368 VanDerWaalsContact CB-CD2 3.48Å; Y2343-L2368 HydrophobicContact CD1-CD1 4.49Å; Y2343-L2368 HydrophobicContact CD1-CD2 4.12Å; Y2343-L2368 HydrophobicContact CD2-CD2 3.76Å; Y2343-L2368 VanDerWaalsContact CD2-CD2 3.42Å; Y2343-L2368 HydrophobicContact CE2-CD2 4.33Å; Y2343-L2368 HydrophobicContact CG-CD1 4.28Å; Y2343-L2368 HydrophobicContact CG-CD2 3.53Å; Y2343-L2368 VanDerWaalsContact CG-CD2 3.46Å; Y2343-L2368 HydrophobicContact CG-CG 4.47Å
2344V90.1Very high87.1Confident10.8 Ų10.853.2 Ų53.27%0.06531%0.312CS..EExtended strand (participates in β ladder)trans-122.9148.6-173.5-52.50000112L2315 L2335 L2338 V2354 I2355 L2368 F2370 L2390L2315-V2344 HydrophobicContact CD1-CB 4.36Å; L2315-V2344 HydrophobicContact CD1-CG1 3.54Å; L2315-V2344 VanDerWaalsContact CD1-CG1 3.5Å; L2335-V2344 HydrophobicContact CD1-CG2 4.1Å; L2338-V2344 HydrophobicContact CD2-CG2 3.41Å; L2338-V2344 VanDerWaalsContact CD2-CG2 3.49Å; V2344-V2354 HydrophobicContact CB-CG1 3.9Å; V2344-V2354 HydrophobicContact CG1-CG1 4.43Å; V2344-V2354 HydrophobicContact CG2-CG1 4.45Å; V2344-I2355 WeakPolarHBondContact CA-O 3.32Å; V2344-L2368 HydrophobicContact CG1-CB 4.44Å; V2344-L2368 HydrophobicContact CG1-CD1 4.05Å; V2344-F2370 HydrophobicContact CB-CD1 4.42Å; V2344-F2370 HydrophobicContact CB-CE1 4.38Å; V2344-F2370 HydrophobicContact CG1-CD1 4.28Å; V2344-F2370 HydrophobicContact CG1-CE1 4.02Å; V2344-F2370 HydrophobicContact CG2-CB 4.43Å; V2344-F2370 HydrophobicContact CG2-CD1 3.86Å; V2344-F2370 HydrophobicContact CG2-CE1 4.21Å; V2344-F2370 HydrophobicContact CG2-CG 4.18Å; V2344-F2370 HydrophobicContact CG2-CZ 4.49Å; V2344-L2390 HydrophobicContact CG1-CD1 4.49Å
2345Q89.7Confident87.1Confident73.4 Ų73.450.9 Ų50.934%0.34330%0.298SS..EExtended strand (participates in β ladder)trans-147.3165.8171.966.2-173.4-22.800110.1V2354 I2355 A2356 N2357Q2345-V2354 CarbonylContact O-C 3.49Å; Q2345-V2354 WeakPolarHBondContact O-CA 3.32Å; Q2345-V2354 WeakPolarHBondContact O-CG1 3.39Å; Q2345-I2355 HydrophobicContact CG-CD1 3.87Å; Q2345-I2355 HydrophobicContact CG-CG1 3.55Å; Q2345-I2355 PolarHBondContact N-O 3.2Å; Q2345-I2355 WeakPolarHBondContact O-CG1 3.38Å; Q2345-I2355 PolarHBondContact O-N 3.1Å; Q2345-I2355 VanDerWaalsContact O-O 3.1Å; Q2345-A2356 PolarHBondContact NE2-O 3.24Å; Q2345-N2357 HydrophobicContact CB-CB 4.16Å; Q2345-N2357 HydrophobicContact CG-CB 3.92Å; Q2345-N2357 PolarHBondContact NE2-OD1 2.87Å; Q2345-N2357 PolarHBondContact OE1-OD1 2.87Å
2346L90.1Very high86.9Confident35.2 Ų35.249.4 Ų49.418%0.18429%0.29CS..EExtended strand (participates in β ladder)trans-83.6139.9168.1-76.5158.8000109.6Y2333 L2335 D2348 K2353 V2354Y2333-L2346 VanDerWaalsContact O-CD1 3.27Å; Y2333-L2346 WeakPolarHBondContact O-CD1 3.39Å; L2335-L2346 HydrophobicContact CD1-CG 4.12Å; L2335-L2346 HydrophobicContact CD2-CD1 4.3Å; L2335-L2346 HydrophobicContact CD2-CD2 4.29Å; L2335-L2346 HydrophobicContact CD2-CG 4.12Å; L2335-L2346 HydrophobicContact CG-CD1 3.93Å; L2335-L2346 HydrophobicContact CG-CD2 4.49Å; L2335-L2346 HydrophobicContact CG-CG 3.84Å; L2346-D2348 VanDerWaalsContact C-N 3.35Å; L2346-K2353 WeakPolarHBondContact CA-O 3.47Å; L2346-V2354 HydrophobicContact CD2-CG2 4.05Å
2347E87.5Confident86.9Confident98.6 Ų98.649.9 Ų49.946%0.46129%0.293SS..SBendtrans-67.9-46.2172-178.2-179.7-116.200110.9K2353 I2355E2347-K2353 HydrophobicContact CB-CB 4.42Å; E2347-K2353 PolarHBondContact N-O 2.9Å; E2347-K2353 WeakPolarHBondContact OE1-CE 3.4Å; E2347-K2353 IonicContact OE1-NZ 3.22Å; E2347-K2353 PolarHBondContact OE1-NZ 3.19Å; E2347-K2353 VanDerWaalsContact OE2-CD 3.27Å; E2347-K2353 WeakPolarHBondContact OE2-CD 3.44Å; E2347-K2353 VanDerWaalsContact OE2-CE 3.28Å; E2347-K2353 WeakPolarHBondContact OE2-CE 3.32Å; E2347-K2353 IonicContact OE2-NZ 3.37Å; E2347-K2353 PolarHBondContact OE2-NZ 2.94Å; E2347-I2355 HydrophobicContact CB-CD1 4.01Å; E2347-I2355 HydrophobicContact CB-CG1 4.25Å; E2347-I2355 HydrophobicContact CB-CG2 3.96Å; E2347-I2355 HydrophobicContact CG-CD1 4.43Å
2348D84.4Confident86.8Confident75.2 Ų75.249.3 Ų49.340%0.40228%0.282SS..  trans-144.8143.7166.3-178.316000109.4L2346 S2350 A2351L2346-D2348 VanDerWaalsContact C-N 3.35Å; D2348-S2350 PolarHBondContact O-N 3.1Å; D2348-S2350 VanDerWaalsContact O-N 3.12Å; D2348-S2350 PolarHBondContact OD1-N 3.06Å; D2348-S2350 VanDerWaalsContact OD2-CB 3.24Å; D2348-S2350 WeakPolarHBondContact OD2-CB 3.31Å; D2348-S2350 PolarHBondContact OD2-N 3.02Å; D2348-S2350 PolarHBondContact OD2-OG 3.02Å; D2348-S2350 VanDerWaalsContact OD2-OG 3.06Å; D2348-A2351 HydrophobicContact CB-CB 4.35Å; D2348-A2351 PolarHBondContact O-N 3.18Å; D2348-A2351 VanDerWaalsContact O-N 3.09Å
2349S85.2Confident86.8Confident60 Ų6049.6 Ų49.642%0.4229%0.287SS..THydrogen-bonded Turntrans-55-21.717061.90000114.3T2332 Y2333T2332-S2349 CarbonylContact C-O 3.48Å; T2332-S2349 WeakPolarHBondContact CA-O 3.18Å; Y2333-S2349 VanDerWaalsContact CD2-O 3.29Å; Y2333-S2349 WeakPolarHBondContact CD2-O 3.27Å; Y2333-S2349 PolarHBondContact N-O 2.95Å
2350S84.2Confident87Confident70.6 Ų70.645.7 Ų45.749%0.49426%0.263SS..THydrogen-bonded Turntrans-89-21.9177.478.10000114.5Y2333 D2348Y2333-S2350 WeakPolarHBondContact CE2-O 3.29Å; D2348-S2350 PolarHBondContact O-N 3.1Å; D2348-S2350 VanDerWaalsContact O-N 3.12Å; D2348-S2350 PolarHBondContact OD1-N 3.06Å; D2348-S2350 VanDerWaalsContact OD2-CB 3.24Å; D2348-S2350 WeakPolarHBondContact OD2-CB 3.31Å; D2348-S2350 PolarHBondContact OD2-N 3.02Å; D2348-S2350 PolarHBondContact OD2-OG 3.02Å; D2348-S2350 VanDerWaalsContact OD2-OG 3.06Å
2351A82Confident87Confident50.6 Ų50.645.7 Ų45.742%0.41826%0.26SS..THydrogen-bonded Turntrans-100.2-13.3-162.400000115.1D2348 K2353D2348-A2351 HydrophobicContact CB-CB 4.35Å; D2348-A2351 PolarHBondContact O-N 3.18Å; D2348-A2351 VanDerWaalsContact O-N 3.09Å; A2351-K2353 HydrophobicContact CB-CB 4.33Å; A2351-K2353 PolarHBondContact O-N 2.91Å; A2351-K2353 VanDerWaalsContact O-N 3.09Å
2352G83.1Confident87.2Confident0 Ų043.6 Ų43.60%024%0.24CC..  trans63.912.3-178.500000114.7V2318 Y2333V2318-G2352 WeakPolarHBondContact CG2-O 3.27Å; V2318-G2352 PolarHBondContact N-O 2.91Å; V2318-G2352 WeakPolarHBondContact O-CA 3.27Å; Y2333-G2352 VanDerWaalsContact CD2-CA 3.44Å; Y2333-G2352 VanDerWaalsContact CD2-N 3.27Å
2353K89.3Confident87.2Confident56.2 Ų56.245.5 Ų45.524%0.24424%0.241CC..EExtended strand (participates in β ladder)trans-94.3117.5-176.2-176.5169.4153.7-141.40110.6T2314 A2317 L2346 E2347 A2351 I2355T2314-K2353 HydrophobicContact CG2-CD 4.06Å; T2314-K2353 VanDerWaalsContact CG2-CE 3.5Å; T2314-K2353 HydrophobicContact CG2-CG 3.71Å; T2314-K2353 WeakPolarHBondContact OG1-CE 3.27Å; A2317-K2353 HydrophobicContact CB-CB 4.4Å; A2317-K2353 HydrophobicContact CB-CG 4.39Å; L2346-K2353 WeakPolarHBondContact CA-O 3.47Å; E2347-K2353 HydrophobicContact CB-CB 4.42Å; E2347-K2353 PolarHBondContact N-O 2.9Å; E2347-K2353 WeakPolarHBondContact OE1-CE 3.4Å; E2347-K2353 IonicContact OE1-NZ 3.22Å; E2347-K2353 PolarHBondContact OE1-NZ 3.19Å; E2347-K2353 VanDerWaalsContact OE2-CD 3.27Å; E2347-K2353 WeakPolarHBondContact OE2-CD 3.44Å; E2347-K2353 VanDerWaalsContact OE2-CE 3.28Å; E2347-K2353 WeakPolarHBondContact OE2-CE 3.32Å; E2347-K2353 IonicContact OE2-NZ 3.37Å; E2347-K2353 PolarHBondContact OE2-NZ 2.94Å; A2351-K2353 HydrophobicContact CB-CB 4.33Å; A2351-K2353 PolarHBondContact O-N 2.91Å; A2351-K2353 VanDerWaalsContact O-N 3.09Å; K2353-I2355 HydrophobicContact CG-CG2 4.4Å
2354V90.2Very high86.9Confident0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-97124.4-177.6-174.30000109.2L2315 I2316 L2335 V2344 Q2345 L2346 F2370L2315-V2354 PolarHBondContact N-O 2.86Å; I2316-V2354 HydrophobicContact CG2-CB 3.88Å; I2316-V2354 HydrophobicContact CG2-CG1 4.48Å; I2316-V2354 HydrophobicContact CG2-CG2 4.11Å; I2316-V2354 PolarHBondContact N-O 2.95Å; I2316-V2354 WeakPolarHBondContact O-CA 3.22Å; I2316-V2354 PolarHBondContact O-N 2.94Å; L2335-V2354 HydrophobicContact CD1-CG1 4.25Å; L2335-V2354 HydrophobicContact CD2-CG2 4.04Å; V2344-V2354 HydrophobicContact CB-CG1 3.9Å; V2344-V2354 HydrophobicContact CG1-CG1 4.43Å; V2344-V2354 HydrophobicContact CG2-CG1 4.45Å; Q2345-V2354 CarbonylContact O-C 3.49Å; Q2345-V2354 WeakPolarHBondContact O-CA 3.32Å; Q2345-V2354 WeakPolarHBondContact O-CG1 3.39Å; L2346-V2354 HydrophobicContact CD2-CG2 4.05Å; V2354-F2370 HydrophobicContact CB-CE2 4.44Å; V2354-F2370 HydrophobicContact CB-CZ 4.39Å; V2354-F2370 HydrophobicContact CG1-CE1 4.38Å; V2354-F2370 HydrophobicContact CG1-CE2 4.11Å; V2354-F2370 HydrophobicContact CG1-CZ 3.81Å; V2354-F2370 HydrophobicContact CG2-CE2 4.04Å; V2354-F2370 HydrophobicContact CG2-CZ 4.36Å
2355I91Very high86.7Confident13.8 Ų13.850.5 Ų50.57%0.07127%0.265CS..EExtended strand (participates in β ladder)trans-117.5157.2-17857.6168.3000110.8G2312 T2313 V2344 Q2345 E2347 K2353 N2357G2312-I2355 WeakPolarHBondContact O-CG2 3.34Å; T2313-I2355 CarbonylContact O-C 3.5Å; T2313-I2355 VanDerWaalsContact O-CA 3.25Å; T2313-I2355 WeakPolarHBondContact O-CA 3.34Å; T2313-I2355 WeakPolarHBondContact O-CB 3.25Å; V2344-I2355 WeakPolarHBondContact CA-O 3.32Å; Q2345-I2355 HydrophobicContact CG-CD1 3.87Å; Q2345-I2355 HydrophobicContact CG-CG1 3.55Å; Q2345-I2355 PolarHBondContact N-O 3.2Å; Q2345-I2355 WeakPolarHBondContact O-CG1 3.38Å; Q2345-I2355 PolarHBondContact O-N 3.1Å; Q2345-I2355 VanDerWaalsContact O-O 3.1Å; E2347-I2355 HydrophobicContact CB-CD1 4.01Å; E2347-I2355 HydrophobicContact CB-CG1 4.25Å; E2347-I2355 HydrophobicContact CB-CG2 3.96Å; E2347-I2355 HydrophobicContact CG-CD1 4.43Å; K2353-I2355 HydrophobicContact CG-CG2 4.4Å; I2355-N2357 PolarHBondContact O-N 2.89Å
2356A89.4Confident86.5Confident0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-63.7137.1168.700000110.5A2309 T2310 P2311 G2312 T2313 L2315 Y2343 Q2345 V2360A2309-A2356 VanDerWaalsContact O-CB 3.3Å; A2309-A2356 WeakPolarHBondContact O-CB 3.17Å; T2310-A2356 WeakPolarHBondContact O-CB 3.37Å; P2311-A2356 CarbonylContact C-O 3.52Å; P2311-A2356 VanDerWaalsContact CA-O 3.28Å; P2311-A2356 WeakPolarHBondContact CA-O 3.25Å; G2312-A2356 PolarHBondContact N-O 3.1Å; T2313-A2356 PolarHBondContact O-N 3.14Å; T2313-A2356 WeakPolarHBondContact OG1-CB 3.48Å; L2315-A2356 HydrophobicContact CD1-CB 4.19Å; L2315-A2356 HydrophobicContact CD2-CB 4.34Å; L2315-A2356 HydrophobicContact CG-CB 4.31Å; Y2343-A2356 CarbonylContact O-C 3.49Å; Y2343-A2356 WeakPolarHBondContact O-CA 3.27Å; Q2345-A2356 PolarHBondContact NE2-O 3.24Å; A2356-V2360 HydrophobicContact CB-CG2 4.46Å
2357N88.9Confident86.4Confident70.4 Ų70.455.7 Ų55.738%0.37628%0.283SS..SBendtrans-102.8-31.7174.817852.7000112G2342 Y2343 Q2345 I2355G2342-N2357 WeakPolarHBondContact O-CB 3.23Å; G2342-N2357 PolarHBondContact O-ND2 3.25Å; Y2343-N2357 PolarHBondContact O-N 2.88Å; Q2345-N2357 HydrophobicContact CB-CB 4.16Å; Q2345-N2357 HydrophobicContact CG-CB 3.92Å; Q2345-N2357 PolarHBondContact NE2-OD1 2.87Å; Q2345-N2357 PolarHBondContact OE1-OD1 2.87Å; I2355-N2357 PolarHBondContact O-N 2.89Å
2358R86.3Confident86.5Confident95.4 Ų95.451.1 Ų51.136%0.3626%0.261SS..SBendtrans-125161.516681.5-177.7-161.2-172.8-2.4108.1P2341 G2342 Y2343 V2360 E2364P2341-R2358 PolarHBondContact O-NH2 3.16Å; G2342-R2358 VanDerWaalsContact CA-NH2 3.27Å; G2342-R2358 PolarHBondContact O-NE 3.37Å; G2342-R2358 PolarHBondContact O-NH2 3.21Å; Y2343-R2358 HydrophobicContact CD1-CB 4.45Å; Y2343-R2358 VanDerWaalsContact CD1-CD 3.45Å; Y2343-R2358 HydrophobicContact CD1-CG 3.45Å; Y2343-R2358 VanDerWaalsContact CD1-CG 3.44Å; Y2343-R2358 VanDerWaalsContact CE1-CD 3.49Å; Y2343-R2358 HydrophobicContact CE1-CG 3.75Å; Y2343-R2358 VanDerWaalsContact CE1-CZ 3.44Å; Y2343-R2358 VanDerWaalsContact CE1-NE 3.29Å; Y2343-R2358 HydrophobicContact CG-CG 4.05Å; Y2343-R2358 VanDerWaalsContact CZ-NH1 3.32Å; Y2343-R2358 PolarHBondContact OH-NH1 3.2Å; Y2343-R2358 VanDerWaalsContact OH-NH1 3.15Å; Y2343-R2358 PolarHBondContact OH-NH2 2.92Å; Y2343-R2358 VanDerWaalsContact OH-NH2 3.09Å; R2358-V2360 PolarHBondContact O-N 3.17Å; R2358-E2364 IonicContact CZ-OE1 3.91Å; R2358-E2364 IonicContact CZ-OE2 3.36Å; R2358-E2364 VanDerWaalsContact CZ-OE2 3.22Å; R2358-E2364 IonicContact NE-OE2 3.98Å; R2358-E2364 IonicContact NH1-OE1 3.73Å; R2358-E2364 IonicContact NH1-OE2 2.72Å; R2358-E2364 PolarHBondContact NH1-OE2 3.19Å; R2358-E2364 IonicContact NH2-OE1 3.36Å; R2358-E2364 PolarHBondContact NH2-OE1 3.06Å; R2358-E2364 IonicContact NH2-OE2 2.85Å; R2358-E2364 PolarHBondContact NH2-OE2 3.32Å; R2358-E2364 VanDerWaalsContact NH2-OE2 3.13Å
2359T86.3Confident86.8Confident65 Ų6549.7 Ų49.740%0.39925%0.254SS..  trans-53.6132.5169.1-12.10000109.9A2309 T2310 Y2343 D2361A2309-T2359 WeakPolarHBondContact O-CA 3.32Å; T2310-T2359 HydrophobicContact CG2-CG2 4.32Å; Y2343-T2359 WeakPolarHBondContact CE1-O 3.28Å; T2359-D2361 PolarHBondContact O-N 3.12Å
2360V86.7Confident87.1Confident0.2 Ų0.247.2 Ų47.20%0.00124%0.236CC..  trans-87.8130.4171.2-173.50000108.1E2307 G2308 A2309 L2315 Y2343 A2356 R2358 V2365 L2368 I2392E2307-V2360 CarbonylContact C-O 3.51Å; E2307-V2360 WeakPolarHBondContact CA-O 3.41Å; G2308-V2360 PolarHBondContact N-O 3.08Å; A2309-V2360 HydrophobicContact CB-CB 4.14Å; A2309-V2360 HydrophobicContact CB-CG2 4.06Å; A2309-V2360 PolarHBondContact O-N 3.05Å; L2315-V2360 HydrophobicContact CD2-CG2 4.2Å; Y2343-V2360 HydrophobicContact CD1-CG2 4.38Å; A2356-V2360 HydrophobicContact CB-CG2 4.46Å; R2358-V2360 PolarHBondContact O-N 3.17Å; V2360-V2365 HydrophobicContact CG1-CG1 4.19Å; V2360-L2368 HydrophobicContact CG1-CD1 4.17Å; V2360-L2368 HydrophobicContact CG2-CD1 3.91Å; V2360-I2392 HydrophobicContact CG1-CB 4.15Å; V2360-I2392 HydrophobicContact CG1-CD1 3.51Å; V2360-I2392 HydrophobicContact CG1-CG1 3.7Å; V2360-I2392 VanDerWaalsContact CG1-CG1 3.45Å; V2360-I2392 HydrophobicContact CG1-CG2 3.87Å
2361D85.7Confident87.5Confident48.2 Ų48.244.7 Ų44.726%0.25822%0.218SC..  trans-142123.9-163.4178.438000106.4T2359 E2363 E2364 V2365T2359-D2361 PolarHBondContact O-N 3.12Å; D2361-E2363 VanDerWaalsContact C-N 3.31Å; D2361-E2363 PolarHBondContact O-N 3.25Å; D2361-E2363 PolarHBondContact OD1-N 3Å; D2361-E2364 HydrophobicContact CB-CB 4.23Å; D2361-E2364 HydrophobicContact CB-CG 4.4Å; D2361-E2364 PolarHBondContact O-N 3.17Å; D2361-E2364 WeakPolarHBondContact OD1-CB 3.31Å; D2361-E2364 WeakPolarHBondContact OD1-CG 3.4Å; D2361-E2364 PolarHBondContact OD1-N 2.98Å; D2361-E2364 WeakPolarHBondContact OD2-CG 3.43Å; D2361-E2364 PolarHBondContact OD2-N 3.07Å; D2361-V2365 VanDerWaalsContact O-CG1 3.29Å; D2361-V2365 WeakPolarHBondContact O-CG1 3.32Å; D2361-V2365 PolarHBondContact O-N 3.07Å
2362Y87.3Confident88Confident52 Ų5242.3 Ų42.320%0.20420%0.198CC..THydrogen-bonded Turntrans-70.6-40.9-170.6179.6-95.9000111.2E2307 E2364 V2365 H2366 I2392 D2394E2307-Y2362 VanDerWaalsContact CD-CB 3.45Å; E2307-Y2362 WeakPolarHBondContact OE1-CB 3.3Å; E2307-Y2362 WeakPolarHBondContact OE2-CA 3.45Å; E2307-Y2362 VanDerWaalsContact OE2-CB 3.24Å; E2307-Y2362 WeakPolarHBondContact OE2-CB 3.32Å; E2307-Y2362 PolarHBondContact OE2-N 3.12Å; Y2362-E2364 VanDerWaalsContact C-N 3.28Å; Y2362-E2364 PolarHBondContact O-N 3Å; Y2362-V2365 CarbonylContact O-C 3.55Å; Y2362-V2365 PolarHBondContact O-N 3.07Å; Y2362-V2365 VanDerWaalsContact O-N 3.12Å; Y2362-H2366 AromaticContact CD1-CD2 3.93Å; Y2362-H2366 AromaticContact CD2-CD2 3.8Å; Y2362-H2366 AromaticContact CE1-CD2 3.63Å; Y2362-H2366 AromaticContact CE1-CE1 3.87Å; Y2362-H2366 AromaticContact CE1-NE2 3.91Å; Y2362-H2366 HydrophobicContact CE2-CB 4.41Å; Y2362-H2366 AromaticContact CE2-CD2 3.59Å; Y2362-H2366 VanDerWaalsContact CE2-CD2 3.43Å; Y2362-H2366 WeakPolarHBondContact CE2-CD2 3.5Å; Y2362-H2366 AromaticContact CE2-NE2 3.97Å; Y2362-H2366 AromaticContact CZ-CD2 3.68Å; Y2362-H2366 VanDerWaalsContact CZ-CD2 3.45Å; Y2362-H2366 AromaticContact CZ-NE2 3.75Å; Y2362-H2366 PolarHBondContact O-CD2 2.83Å; Y2362-H2366 VanDerWaalsContact O-CD2 3.26Å; Y2362-H2366 PolarHBondContact O-CE1 3.07Å; Y2362-H2366 VanDerWaalsContact O-CE1 3.27Å; Y2362-H2366 PolarHBondContact O-ND1 3.25Å; Y2362-I2392 HydrophobicContact CD2-CB 4.33Å; Y2362-I2392 HydrophobicContact CD2-CG2 4.24Å; Y2362-I2392 WeakPolarHBondContact CD2-O 3.37Å; Y2362-I2392 VanDerWaalsContact CE2-O 3.24Å; Y2362-I2392 WeakPolarHBondContact CE2-O 3.34Å; Y2362-D2394 HydrophobicContact CD1-CB 3.76Å; Y2362-D2394 HydrophobicContact CD2-CB 4.03Å; Y2362-D2394 VanDerWaalsContact CD2-N 3.31Å; Y2362-D2394 HydrophobicContact CE1-CB 3.77Å; Y2362-D2394 WeakPolarHBondContact CE1-OD2 3.32Å; Y2362-D2394 HydrophobicContact CE2-CB 4.02Å; Y2362-D2394 HydrophobicContact CG-CB 3.9Å
2363E85.1Confident88.5Confident69.8 Ų69.846.3 Ų46.333%0.32621%0.213SC..THydrogen-bonded Turntrans-59.5-31.8175.6-79.651.9-120.800112.4D2361 A2429D2361-E2363 VanDerWaalsContact C-N 3.31Å; D2361-E2363 PolarHBondContact O-N 3.25Å; D2361-E2363 PolarHBondContact OD1-N 3Å; E2363-A2429 HydrophobicContact CG-CB 4.35Å
2364E82.8Confident88.6Confident113.8 Ų113.843.7 Ų43.753%0.53220%0.201SC..THydrogen-bonded Turntrans-84.3-42.6170.8-75.6-164.9156.300113.8Y2343 R2358 D2361 Y2362Y2343-E2364 WeakPolarHBondContact OH-CB 3.34Å; Y2343-E2364 PolarHBondContact OH-OE2 3.03Å; R2358-E2364 IonicContact CZ-OE1 3.91Å; R2358-E2364 IonicContact CZ-OE2 3.36Å; R2358-E2364 VanDerWaalsContact CZ-OE2 3.22Å; R2358-E2364 IonicContact NE-OE2 3.98Å; R2358-E2364 IonicContact NH1-OE1 3.73Å; R2358-E2364 IonicContact NH1-OE2 2.72Å; R2358-E2364 PolarHBondContact NH1-OE2 3.19Å; R2358-E2364 IonicContact NH2-OE1 3.36Å; R2358-E2364 PolarHBondContact NH2-OE1 3.06Å; R2358-E2364 IonicContact NH2-OE2 2.85Å; R2358-E2364 PolarHBondContact NH2-OE2 3.32Å; R2358-E2364 VanDerWaalsContact NH2-OE2 3.13Å; D2361-E2364 HydrophobicContact CB-CB 4.23Å; D2361-E2364 HydrophobicContact CB-CG 4.4Å; D2361-E2364 PolarHBondContact O-N 3.17Å; D2361-E2364 WeakPolarHBondContact OD1-CB 3.31Å; D2361-E2364 WeakPolarHBondContact OD1-CG 3.4Å; D2361-E2364 PolarHBondContact OD1-N 2.98Å; D2361-E2364 WeakPolarHBondContact OD2-CG 3.43Å; D2361-E2364 PolarHBondContact OD2-N 3.07Å; Y2362-E2364 VanDerWaalsContact C-N 3.28Å; Y2362-E2364 PolarHBondContact O-N 3Å
2365V85.1Confident88.7Confident12.6 Ų12.644.4 Ų44.48%0.07621%0.206CC..  trans-151.2119.9-17080.20000115P2340 Y2343 V2360 D2361 Y2362 W2367 L2368 I2392P2340-V2365 HydrophobicContact CG-CB 4.39Å; P2340-V2365 HydrophobicContact CG-CG1 3.62Å; P2340-V2365 HydrophobicContact CG-CG2 3.68Å; Y2343-V2365 HydrophobicContact CD1-CG1 4.05Å; Y2343-V2365 HydrophobicContact CD2-CG1 4.45Å; Y2343-V2365 HydrophobicContact CE1-CB 4.41Å; Y2343-V2365 HydrophobicContact CE1-CG1 3.41Å; Y2343-V2365 VanDerWaalsContact CE1-CG1 3.45Å; Y2343-V2365 HydrophobicContact CE1-CG2 4.29Å; Y2343-V2365 HydrophobicContact CE2-CB 4.11Å; Y2343-V2365 HydrophobicContact CE2-CG1 3.89Å; Y2343-V2365 HydrophobicContact CE2-CG2 4.2Å; Y2343-V2365 HydrophobicContact CG-CG1 4.49Å; Y2343-V2365 WeakPolarHBondContact OH-CG1 3.4Å; Y2343-V2365 WeakPolarHBondContact OH-CG2 3.34Å; V2360-V2365 HydrophobicContact CG1-CG1 4.19Å; D2361-V2365 VanDerWaalsContact O-CG1 3.29Å; D2361-V2365 WeakPolarHBondContact O-CG1 3.32Å; D2361-V2365 PolarHBondContact O-N 3.07Å; Y2362-V2365 CarbonylContact O-C 3.55Å; Y2362-V2365 PolarHBondContact O-N 3.07Å; Y2362-V2365 VanDerWaalsContact O-N 3.12Å; V2365-W2367 WeakPolarHBondContact CG1-O 3.47Å; V2365-W2367 VanDerWaalsContact CG2-O 3.24Å; V2365-W2367 WeakPolarHBondContact CG2-O 3.19Å; V2365-W2367 PolarHBondContact O-N 3.12Å; V2365-L2368 HydrophobicContact CG1-CD2 4.07Å; V2365-L2368 HydrophobicContact CG2-CD2 3.85Å; V2365-I2392 WeakPolarHBondContact O-CB 3.43Å; V2365-I2392 VanDerWaalsContact O-CG1 3.24Å; V2365-I2392 WeakPolarHBondContact O-CG1 3.4Å
2366H86.2Confident88.7Confident93.4 Ų93.443.8 Ų43.843%0.43220%0.203SC..SBendtrans-86.7-17177-52.995.4000115.1Y2362 I2392Y2362-H2366 AromaticContact CD1-CD2 3.93Å; Y2362-H2366 AromaticContact CD2-CD2 3.8Å; Y2362-H2366 AromaticContact CE1-CD2 3.63Å; Y2362-H2366 AromaticContact CE1-CE1 3.87Å; Y2362-H2366 AromaticContact CE1-NE2 3.91Å; Y2362-H2366 HydrophobicContact CE2-CB 4.41Å; Y2362-H2366 AromaticContact CE2-CD2 3.59Å; Y2362-H2366 VanDerWaalsContact CE2-CD2 3.43Å; Y2362-H2366 WeakPolarHBondContact CE2-CD2 3.5Å; Y2362-H2366 AromaticContact CE2-NE2 3.97Å; Y2362-H2366 AromaticContact CZ-CD2 3.68Å; Y2362-H2366 VanDerWaalsContact CZ-CD2 3.45Å; Y2362-H2366 AromaticContact CZ-NE2 3.75Å; Y2362-H2366 PolarHBondContact O-CD2 2.83Å; Y2362-H2366 VanDerWaalsContact O-CD2 3.26Å; Y2362-H2366 PolarHBondContact O-CE1 3.07Å; Y2362-H2366 VanDerWaalsContact O-CE1 3.27Å; Y2362-H2366 PolarHBondContact O-ND1 3.25Å; H2366-I2392 PolarHBondContact O-N 2.98Å
2367W88.3Confident88.6Confident123.4 Ų123.446.7 Ų46.747%0.46722%0.219SC..EExtended strand (participates in β ladder)trans-147137.3-175.3-69.884.2000112.9P2340 V2365 L2390 E2391P2340-W2367 VanDerWaalsContact CD-O 3.27Å; P2340-W2367 WeakPolarHBondContact CD-O 3.28Å; V2365-W2367 WeakPolarHBondContact CG1-O 3.47Å; V2365-W2367 VanDerWaalsContact CG2-O 3.24Å; V2365-W2367 WeakPolarHBondContact CG2-O 3.19Å; V2365-W2367 PolarHBondContact O-N 3.12Å; W2367-L2390 CarbonylContact C-O 3.44Å; W2367-L2390 VanDerWaalsContact CA-O 3.29Å; W2367-L2390 WeakPolarHBondContact CA-O 3.28Å; W2367-E2391 HydrophobicContact CD2-CB 4.47Å; W2367-E2391 HydrophobicContact CE3-CB 4.14Å; W2367-E2391 HydrophobicContact CH2-CB 3.76Å; W2367-E2391 HydrophobicContact CH2-CG 3.86Å; W2367-E2391 HydrophobicContact CZ2-CB 4.17Å; W2367-E2391 HydrophobicContact CZ2-CG 3.8Å; W2367-E2391 HydrophobicContact CZ3-CB 3.75Å; W2367-E2391 HydrophobicContact CZ3-CG 4.31Å
2368L88.6Confident88.3Confident2 Ų243.6 Ų43.61%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-119113.3171.6-54.8177.7000110.6L2315 P2340 Y2343 V2344 V2360 V2365 Y2389 L2390 I2392L2315-L2368 HydrophobicContact CD1-CD1 4.35Å; P2340-L2368 HydrophobicContact CG-CD2 4.19Å; Y2343-L2368 VanDerWaalsContact CB-CD2 3.48Å; Y2343-L2368 HydrophobicContact CD1-CD1 4.49Å; Y2343-L2368 HydrophobicContact CD1-CD2 4.12Å; Y2343-L2368 HydrophobicContact CD2-CD2 3.76Å; Y2343-L2368 VanDerWaalsContact CD2-CD2 3.42Å; Y2343-L2368 HydrophobicContact CE2-CD2 4.33Å; Y2343-L2368 HydrophobicContact CG-CD1 4.28Å; Y2343-L2368 HydrophobicContact CG-CD2 3.53Å; Y2343-L2368 VanDerWaalsContact CG-CD2 3.46Å; Y2343-L2368 HydrophobicContact CG-CG 4.47Å; V2344-L2368 HydrophobicContact CG1-CB 4.44Å; V2344-L2368 HydrophobicContact CG1-CD1 4.05Å; V2360-L2368 HydrophobicContact CG1-CD1 4.17Å; V2360-L2368 HydrophobicContact CG2-CD1 3.91Å; V2365-L2368 HydrophobicContact CG1-CD2 4.07Å; V2365-L2368 HydrophobicContact CG2-CD2 3.85Å; L2368-Y2389 CarbonylContact O-C 3.59Å; L2368-L2390 HydrophobicContact CB-CB 4.19Å; L2368-L2390 HydrophobicContact CB-CD1 4.38Å; L2368-L2390 HydrophobicContact CD1-CD1 4.4Å; L2368-L2390 PolarHBondContact N-O 3.05Å; L2368-L2390 WeakPolarHBondContact O-CB 3.27Å; L2368-L2390 PolarHBondContact O-N 3.03Å; L2368-I2392 HydrophobicContact CD1-CD1 4.15Å; L2368-I2392 HydrophobicContact CG-CD1 4.14Å; L2368-I2392 HydrophobicContact CG-CG1 4.39Å
2369N90.4Very high88Confident47.2 Ų47.244.5 Ų44.525%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-119.1137-176.7-58.1-32.3000110.9T2339 V2388 Y2389T2339-N2369 PolarHBondContact N-O 3.13Å; T2339-N2369 PolarHBondContact O-N 2.93Å; T2339-N2369 PolarHBondContact OG1-O 3.02Å; T2339-N2369 VanDerWaalsContact OG1-O 3.09Å; N2369-V2388 WeakPolarHBondContact CA-O 3.42Å; N2369-Y2389 HydrophobicContact CB-CD1 4.31Å; N2369-Y2389 HydrophobicContact CB-CE1 4.39Å; N2369-Y2389 WeakPolarHBondContact OD1-CD1 3.24Å
2370F92.5Very high87.9Confident5.8 Ų5.846.4 Ų46.43%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-161.8167.1179.253.9-87.9000111.9I2316 L2335 L2338 V2344 V2354 V2372 P2387 V2388 L2390I2316-F2370 HydrophobicContact CG2-CE2 4.43Å; I2316-F2370 HydrophobicContact CG2-CZ 4Å; L2335-F2370 HydrophobicContact CD2-CD2 3.99Å; L2335-F2370 HydrophobicContact CD2-CE2 4.21Å; L2338-F2370 HydrophobicContact CD2-CB 3.84Å; L2338-F2370 HydrophobicContact CD2-CG 4.43Å; V2344-F2370 HydrophobicContact CB-CD1 4.42Å; V2344-F2370 HydrophobicContact CB-CE1 4.38Å; V2344-F2370 HydrophobicContact CG1-CD1 4.28Å; V2344-F2370 HydrophobicContact CG1-CE1 4.02Å; V2344-F2370 HydrophobicContact CG2-CB 4.43Å; V2344-F2370 HydrophobicContact CG2-CD1 3.86Å; V2344-F2370 HydrophobicContact CG2-CE1 4.21Å; V2344-F2370 HydrophobicContact CG2-CG 4.18Å; V2344-F2370 HydrophobicContact CG2-CZ 4.49Å; V2354-F2370 HydrophobicContact CB-CE2 4.44Å; V2354-F2370 HydrophobicContact CB-CZ 4.39Å; V2354-F2370 HydrophobicContact CG1-CE1 4.38Å; V2354-F2370 HydrophobicContact CG1-CE2 4.11Å; V2354-F2370 HydrophobicContact CG1-CZ 3.81Å; V2354-F2370 HydrophobicContact CG2-CE2 4.04Å; V2354-F2370 HydrophobicContact CG2-CZ 4.36Å; F2370-V2372 HydrophobicContact CD2-CG2 4.06Å; F2370-V2372 HydrophobicContact CE2-CG2 3.88Å; F2370-P2387 CarbonylContact O-C 3.45Å; F2370-P2387 WeakPolarHBondContact O-CA 3.13Å; F2370-V2388 HydrophobicContact CD1-CB 4.41Å; F2370-V2388 HydrophobicContact CD2-CB 3.92Å; F2370-V2388 HydrophobicContact CD2-CG2 4.11Å; F2370-V2388 HydrophobicContact CE1-CB 4.28Å; F2370-V2388 HydrophobicContact CE1-CG1 4.04Å; F2370-V2388 HydrophobicContact CE2-CB 3.6Å; F2370-V2388 HydrophobicContact CE2-CG1 3.81Å; F2370-V2388 HydrophobicContact CE2-CG2 3.7Å; F2370-V2388 HydrophobicContact CG-CB 4.4Å; F2370-V2388 HydrophobicContact CZ-CB 3.8Å; F2370-V2388 HydrophobicContact CZ-CG1 3.51Å; F2370-V2388 VanDerWaalsContact CZ-CG1 3.4Å; F2370-V2388 HydrophobicContact CZ-CG2 4.3Å; F2370-V2388 PolarHBondContact N-O 3.05Å; F2370-V2388 VanDerWaalsContact N-O 3.12Å; F2370-V2388 PolarHBondContact O-N 3.03Å; F2370-L2390 HydrophobicContact CE1-CD1 3.85Å; F2370-L2390 HydrophobicContact CE1-CG 4.23Å; F2370-L2390 HydrophobicContact CZ-CD1 4.22Å; F2370-L2390 HydrophobicContact CZ-CG 4.4Å
2371T92.1Very high87.9Confident18.8 Ų18.850.1 Ų50.112%0.11526%0.262CS..EExtended strand (participates in β ladder)trans-113.4133.3175.3-56.20000109.4L2335 L2336 D2337 E2385 I2386L2335-T2371 CarbonylContact C-O 3.5Å; L2335-T2371 WeakPolarHBondContact CA-O 3.34Å; L2336-T2371 HydrophobicContact CB-CG2 4.48Å; L2336-T2371 PolarHBondContact N-O 2.91Å; L2336-T2371 PolarHBondContact O-N 3.09Å; D2337-T2371 VanDerWaalsContact OD2-CB 3.28Å; D2337-T2371 WeakPolarHBondContact OD2-CB 3.31Å; D2337-T2371 PolarHBondContact OD2-OG1 3.03Å; T2371-E2385 HydrophobicContact CG2-CB 4.15Å; T2371-I2386 CarbonylContact C-O 3.57Å; T2371-I2386 WeakPolarHBondContact CA-O 3.41Å; T2371-I2386 WeakPolarHBondContact CG2-O 3.34Å
2372V92.1Very high88.1Confident0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-99.7130.1172.3-171.30000109.5F2293 V2318 Y2333 T2334 L2335 F2370 E2385 I2386 V2388F2293-V2372 HydrophobicContact CE1-CB 4.5Å; F2293-V2372 HydrophobicContact CE1-CG1 4.36Å; F2293-V2372 HydrophobicContact CZ-CB 4.41Å; F2293-V2372 HydrophobicContact CZ-CG1 4.37Å; F2293-V2372 WeakPolarHBondContact CZ-O 3.25Å; V2318-V2372 HydrophobicContact CG2-CB 4.27Å; V2318-V2372 HydrophobicContact CG2-CG1 3.81Å; V2318-V2372 HydrophobicContact CG2-CG2 4.17Å; Y2333-V2372 HydrophobicContact CD1-CG1 4.11Å; T2334-V2372 CarbonylContact O-C 3.44Å; T2334-V2372 WeakPolarHBondContact O-CA 3.2Å; L2335-V2372 HydrophobicContact CD2-CB 4.44Å; L2335-V2372 HydrophobicContact CD2-CG1 4.4Å; L2335-V2372 HydrophobicContact CD2-CG2 3.78Å; F2370-V2372 HydrophobicContact CD2-CG2 4.06Å; F2370-V2372 HydrophobicContact CE2-CG2 3.88Å; V2372-E2385 CarbonylContact O-C 3.57Å; V2372-E2385 VanDerWaalsContact O-CA 3.29Å; V2372-E2385 WeakPolarHBondContact O-CA 3.35Å; V2372-I2386 HydrophobicContact CB-CG2 4.34Å; V2372-I2386 PolarHBondContact N-O 2.97Å; V2372-I2386 PolarHBondContact O-N 2.89Å; V2372-V2388 HydrophobicContact CG2-CG2 3.84Å
2373R93.1Very high88.3Confident85.2 Ų85.251.2 Ų51.232%0.32227%0.27SS..EExtended strand (participates in β ladder)trans-110125173.4172.2-178.6176.7136.2-4.6110.1Y2333 T2334 L2336 A2383 A2384 E2385Y2333-R2373 CarbonylContact C-O 3.56Å; Y2333-R2373 VanDerWaalsContact CA-O 3.31Å; Y2333-R2373 WeakPolarHBondContact CA-O 3.37Å; T2334-R2373 PolarHBondContact N-O 3Å; T2334-R2373 PolarHBondContact O-N 2.97Å; T2334-R2373 WeakPolarHBondContact OG1-CB 3.36Å; T2334-R2373 PolarHBondContact OG1-O 3.19Å; L2336-R2373 HydrophobicContact CD1-CB 4.03Å; L2336-R2373 HydrophobicContact CG-CB 4.42Å; R2373-A2383 HydrophobicContact CG-CB 4.17Å; R2373-A2383 VanDerWaalsContact NE-CB 3.29Å; R2373-A2384 CarbonylContact C-O 3.44Å; R2373-A2384 VanDerWaalsContact CA-O 3.23Å; R2373-A2384 WeakPolarHBondContact CA-O 3.28Å; R2373-E2385 HydrophobicContact CB-CG 3.87Å; R2373-E2385 WeakPolarHBondContact CD-OE1 3.39Å; R2373-E2385 HydrophobicContact CG-CG 3.85Å; R2373-E2385 IonicContact CZ-OE1 2.96Å; R2373-E2385 IonicContact NE-OE1 3.56Å; R2373-E2385 IonicContact NH1-OE1 3.39Å; R2373-E2385 PolarHBondContact NH1-OE1 2.89Å
2374A92.3Very high88.5Confident0 Ų049.2 Ų49.20%027%0.265CS..EExtended strand (participates in β ladder)trans-100.9119.4168.400000108.6P2291 F2293 A2320 I2331 T2332 Y2333 A2383 A2384P2291-A2374 HydrophobicContact CB-CB 4.14Å; F2293-A2374 HydrophobicContact CE1-CB 3.96Å; F2293-A2374 HydrophobicContact CE2-CB 4.06Å; F2293-A2374 HydrophobicContact CZ-CB 3.55Å; F2293-A2374 VanDerWaalsContact CZ-CB 3.46Å; A2320-A2374 HydrophobicContact CB-CB 3.84Å; I2331-A2374 HydrophobicContact CG2-CB 3.8Å; T2332-A2374 WeakPolarHBondContact O-CA 3.36Å; Y2333-A2374 HydrophobicContact CD1-CB 4.07Å; Y2333-A2374 HydrophobicContact CE1-CB 3.93Å; A2374-A2383 CarbonylContact O-C 3.55Å; A2374-A2383 WeakPolarHBondContact O-CA 3.22Å; A2374-A2383 VanDerWaalsContact O-CB 3.31Å; A2374-A2383 WeakPolarHBondContact O-CB 3.27Å; A2374-A2384 PolarHBondContact N-O 3.08Å; A2374-A2384 PolarHBondContact O-N 3.04Å
2375S92.1Very high89Confident14.4 Ų14.448.9 Ų48.910%0.10126%0.263CS..EExtended strand (participates in β ladder)trans-119.1135.9178.3-166.80000109.6I2331 T2332 R2382I2331-S2375 CarbonylContact C-O 3.52Å; I2331-S2375 VanDerWaalsContact CA-O 3.28Å; I2331-S2375 WeakPolarHBondContact CA-O 3.41Å; T2332-S2375 PolarHBondContact N-O 3.08Å; T2332-S2375 PolarHBondContact O-N 3.16Å; T2332-S2375 PolarHBondContact OG1-O 2.85Å; S2375-R2382 CarbonylContact C-O 3.5Å; S2375-R2382 VanDerWaalsContact CA-O 3.27Å; S2375-R2382 WeakPolarHBondContact CA-O 3.4Å; S2375-R2382 PolarHBondContact OG-O 3.01Å; S2375-R2382 VanDerWaalsContact OG-O 3.09Å
2376D91.2Very high89.3Confident1.2 Ų1.248.5 Ų48.51%0.00626%0.261CS..  trans-68.5167.7163.464.760.1000111N2287 P2291 N2328 L2330 G2378 P2381 R2382N2287-D2376 VanDerWaalsContact ND2-CG 3.31Å; N2287-D2376 PolarHBondContact ND2-OD1 2.96Å; N2287-D2376 PolarHBondContact ND2-OD2 2.88Å; N2287-D2376 PolarHBondContact OD1-OD2 2.75Å; P2291-D2376 HydrophobicContact CG-CB 4.13Å; N2328-D2376 WeakPolarHBondContact O-CB 3.31Å; L2330-D2376 CarbonylContact O-C 3.43Å; L2330-D2376 WeakPolarHBondContact O-CA 3.23Å; D2376-G2378 VanDerWaalsContact C-N 3.33Å; D2376-G2378 WeakPolarHBondContact OD1-CA 3.3Å; D2376-G2378 PolarHBondContact OD1-N 3.17Å; D2376-P2381 WeakPolarHBondContact O-CB 3.2Å; D2376-P2381 WeakPolarHBondContact OD1-CA 3.27Å; D2376-P2381 WeakPolarHBondContact OD1-CB 3.33Å; D2376-R2382 VanDerWaalsContact CG-N 3.28Å; D2376-R2382 PolarHBondContact N-O 3.11Å; D2376-R2382 PolarHBondContact OD1-N 3.08Å; D2376-R2382 VanDerWaalsContact OD1-N 3.09Å; D2376-R2382 VanDerWaalsContact OD2-C 3.27Å; D2376-R2382 VanDerWaalsContact OD2-CA 3.29Å; D2376-R2382 WeakPolarHBondContact OD2-CA 3.27Å; D2376-R2382 WeakPolarHBondContact OD2-CB 3.31Å; D2376-R2382 PolarHBondContact OD2-N 3.24Å
2377N86.7Confident89.7Confident62.2 Ų62.245.9 Ų45.933%0.33325%0.253SS..  trans-101.523173.3-70.3-48000112.3L2327 L2330 T2332L2327-N2377 HydrophobicContact CB-CB 4.32Å; L2327-N2377 HydrophobicContact CD2-CB 4.38Å; L2327-N2377 CarbonylContact O-C 3.52Å; L2327-N2377 VanDerWaalsContact O-C 3.28Å; L2327-N2377 VanDerWaalsContact O-CA 3.32Å; L2327-N2377 WeakPolarHBondContact O-CA 3.28Å; L2327-N2377 VanDerWaalsContact O-CB 3.29Å; L2327-N2377 WeakPolarHBondContact O-CB 3.4Å; L2327-N2377 PolarHBondContact O-N 3.11Å; L2327-N2377 VanDerWaalsContact O-N 3.15Å; L2330-N2377 PolarHBondContact O-N 3Å; L2330-N2377 PolarHBondContact O-ND2 3.02Å; T2332-N2377 WeakPolarHBondContact CG2-ND2 3.24Å; T2332-N2377 WeakPolarHBondContact CG2-OD1 3.2Å; T2332-N2377 PolarHBondContact OG1-OD1 3.23Å
2378G82.8Confident89.8Confident5 Ų540.1 Ų40.15%0.05223%0.23CC..SBendtrans-71.5-178.6176.500000113.3N2287 L2327 N2328 D2376 P2380 P2381N2287-G2378 WeakPolarHBondContact ND2-CA 3.3Å; L2327-G2378 PolarHBondContact O-N 3.15Å; N2328-G2378 VanDerWaalsContact OD1-CA 3.26Å; N2328-G2378 WeakPolarHBondContact OD1-CA 3.35Å; D2376-G2378 VanDerWaalsContact C-N 3.33Å; D2376-G2378 WeakPolarHBondContact OD1-CA 3.3Å; D2376-G2378 PolarHBondContact OD1-N 3.17Å; G2378-P2380 CarbonylContact C-O 3.49Å; G2378-P2380 CarbonylContact O-C 3.38Å; G2378-P2381 VanDerWaalsContact O-CA 3.3Å; G2378-P2381 WeakPolarHBondContact O-CA 3.36Å; G2378-P2381 WeakPolarHBondContact O-CB 3.42Å; G2378-P2381 WeakPolarHBondContact O-CD 3.31Å; G2378-P2381 VanDerWaalsContact O-N 3.11Å
2379S79.7Confident89.9Confident114.6 Ų114.644.8 Ų44.880%0.80125%0.249SC*.SBendtrans-140.9100.1-178.1-91.50000111.5
2380P84.9Confident90Very high104 Ų10442.5 Ų42.568%0.67524%0.237SC*.SBendcis-70148.51.731.2-36000112.6N2287 G2378N2287-P2380 PolarHBondContact ND2-O 3.03Å; N2287-P2380 PolarHBondContact OD1-O 3.48Å; G2378-P2380 CarbonylContact C-O 3.49Å; G2378-P2380 CarbonylContact O-C 3.38Å
2381P87Confident89.8Confident77.6 Ų77.644.9 Ų44.950%0.50425%0.248SC..  trans-76.8144177.630.9-34.7000111.4D2376 G2378D2376-P2381 WeakPolarHBondContact O-CB 3.2Å; D2376-P2381 WeakPolarHBondContact OD1-CA 3.27Å; D2376-P2381 WeakPolarHBondContact OD1-CB 3.33Å; G2378-P2381 VanDerWaalsContact O-CA 3.3Å; G2378-P2381 WeakPolarHBondContact O-CA 3.36Å; G2378-P2381 WeakPolarHBondContact O-CB 3.42Å; G2378-P2381 WeakPolarHBondContact O-CD 3.31Å; G2378-P2381 VanDerWaalsContact O-N 3.11Å
2382R89.5Confident89.6Confident89.2 Ų89.244.2 Ų44.234%0.33724%0.244SC..  trans-114.4157.5175.9-47.4163.7166.4-145.28.7109.7N2287 D2288 N2289 T2290 P2291 S2375 D2376N2287-R2382 VanDerWaalsContact O-CZ 3.23Å; N2287-R2382 PolarHBondContact O-NE 3.15Å; N2287-R2382 PolarHBondContact O-NH2 2.92Å; N2287-R2382 VanDerWaalsContact OD1-CD 3.28Å; N2287-R2382 WeakPolarHBondContact OD1-CD 3.43Å; N2287-R2382 PolarHBondContact OD1-NE 2.92Å; D2288-R2382 VanDerWaalsContact C-CZ 3.48Å; D2288-R2382 VanDerWaalsContact C-NH1 3.31Å; D2288-R2382 VanDerWaalsContact C-NH2 3.33Å; D2288-R2382 VanDerWaalsContact CA-NH2 3.29Å; D2288-R2382 VanDerWaalsContact O-CZ 3.27Å; D2288-R2382 PolarHBondContact O-NH1 3.18Å; D2288-R2382 PolarHBondContact O-NH2 3.1Å; D2288-R2382 VanDerWaalsContact O-NH2 3.1Å; N2289-R2382 WeakPolarHBondContact O-CD 3.33Å; N2289-R2382 VanDerWaalsContact O-CZ 3.3Å; N2289-R2382 PolarHBondContact O-NE 3.06Å; N2289-R2382 PolarHBondContact O-NH1 2.96Å; T2290-R2382 HydrophobicContact CG2-CB 4.02Å; T2290-R2382 WeakPolarHBondContact OG1-CD 3.47Å; T2290-R2382 PolarHBondContact OG1-NH1 3Å; P2291-R2382 WeakPolarHBondContact CD-O 3.36Å; S2375-R2382 CarbonylContact C-O 3.5Å; S2375-R2382 VanDerWaalsContact CA-O 3.27Å; S2375-R2382 WeakPolarHBondContact CA-O 3.4Å; S2375-R2382 PolarHBondContact OG-O 3.01Å; S2375-R2382 VanDerWaalsContact OG-O 3.09Å; D2376-R2382 VanDerWaalsContact CG-N 3.28Å; D2376-R2382 PolarHBondContact N-O 3.11Å; D2376-R2382 PolarHBondContact OD1-N 3.08Å; D2376-R2382 VanDerWaalsContact OD1-N 3.09Å; D2376-R2382 VanDerWaalsContact OD2-C 3.27Å; D2376-R2382 VanDerWaalsContact OD2-CA 3.29Å; D2376-R2382 WeakPolarHBondContact OD2-CA 3.27Å; D2376-R2382 WeakPolarHBondContact OD2-CB 3.31Å; D2376-R2382 PolarHBondContact OD2-N 3.24Å
2383A91Very high89.2Confident35.8 Ų35.846.1 Ų46.130%0.29626%0.255SS..EExtended strand (participates in β ladder)trans-154.3154.1-172.500000113.7R2373 A2374R2373-A2383 HydrophobicContact CG-CB 4.17Å; R2373-A2383 VanDerWaalsContact NE-CB 3.29Å; A2374-A2383 CarbonylContact O-C 3.55Å; A2374-A2383 WeakPolarHBondContact O-CA 3.22Å; A2374-A2383 VanDerWaalsContact O-CB 3.31Å; A2374-A2383 WeakPolarHBondContact O-CB 3.27Å
2384A90.9Very high88.8Confident28 Ų2843.8 Ų43.823%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-122.9151.2169.200000110.8P2291 F2293 R2373 A2374P2291-A2384 WeakPolarHBondContact O-CB 3.29Å; F2293-A2384 HydrophobicContact CD2-CB 4.29Å; F2293-A2384 HydrophobicContact CE2-CB 4.08Å; F2293-A2384 WeakPolarHBondContact CE2-O 3.43Å; R2373-A2384 CarbonylContact C-O 3.44Å; R2373-A2384 VanDerWaalsContact CA-O 3.23Å; R2373-A2384 WeakPolarHBondContact CA-O 3.28Å; A2374-A2384 PolarHBondContact N-O 3.08Å; A2374-A2384 PolarHBondContact O-N 3.04Å
2385E92.8Very high88.4Confident106 Ų10646.7 Ų46.750%0.49526%0.264SS..EExtended strand (participates in β ladder)trans-131.2140.1-175-57.3-175167.500110.6L2336 T2371 V2372 R2373L2336-E2385 HydrophobicContact CD1-CG 4.28Å; L2336-E2385 VanDerWaalsContact CD1-OE1 3.31Å; L2336-E2385 WeakPolarHBondContact CD1-OE1 3.45Å; T2371-E2385 HydrophobicContact CG2-CB 4.15Å; V2372-E2385 CarbonylContact O-C 3.57Å; V2372-E2385 VanDerWaalsContact O-CA 3.29Å; V2372-E2385 WeakPolarHBondContact O-CA 3.35Å; R2373-E2385 HydrophobicContact CB-CG 3.87Å; R2373-E2385 WeakPolarHBondContact CD-OE1 3.39Å; R2373-E2385 HydrophobicContact CG-CG 3.85Å; R2373-E2385 IonicContact CZ-OE1 2.96Å; R2373-E2385 IonicContact NE-OE1 3.56Å; R2373-E2385 IonicContact NH1-OE1 3.39Å; R2373-E2385 PolarHBondContact NH1-OE1 2.89Å
2386I92Very high88Confident5.6 Ų5.646.7 Ų46.73%0.02926%0.263CS..EExtended strand (participates in β ladder)trans-145.9132.4-178.2-166166.7000113.1F2293 I2298 Y2301 T2371 V2372F2293-I2386 HydrophobicContact CB-CD1 4.39Å; F2293-I2386 HydrophobicContact CD1-CG2 4.03Å; F2293-I2386 HydrophobicContact CD2-CB 4.07Å; F2293-I2386 HydrophobicContact CD2-CD1 4.46Å; F2293-I2386 HydrophobicContact CD2-CG2 3.8Å; F2293-I2386 HydrophobicContact CE1-CG2 3.82Å; F2293-I2386 HydrophobicContact CE2-CB 4Å; F2293-I2386 HydrophobicContact CE2-CG2 3.57Å; F2293-I2386 VanDerWaalsContact CE2-CG2 3.47Å; F2293-I2386 HydrophobicContact CG-CB 4.43Å; F2293-I2386 HydrophobicContact CG-CD1 4.49Å; F2293-I2386 HydrophobicContact CG-CG2 4.02Å; F2293-I2386 HydrophobicContact CZ-CB 4.41Å; F2293-I2386 HydrophobicContact CZ-CG2 3.59Å; I2298-I2386 HydrophobicContact CB-CD1 4.37Å; I2298-I2386 HydrophobicContact CD1-CD1 3.5Å; I2298-I2386 VanDerWaalsContact CD1-CD1 3.5Å; I2298-I2386 HydrophobicContact CG1-CD1 4.11Å; I2298-I2386 HydrophobicContact CG2-CD1 3.69Å; I2298-I2386 WeakPolarHBondContact O-CD1 3.37Å; Y2301-I2386 HydrophobicContact CD2-CD1 4.13Å; Y2301-I2386 HydrophobicContact CD2-CG1 4.42Å; Y2301-I2386 HydrophobicContact CD2-CG2 4.18Å; Y2301-I2386 HydrophobicContact CE2-CD1 3.85Å; Y2301-I2386 HydrophobicContact CE2-CG1 4.43Å; Y2301-I2386 HydrophobicContact CE2-CG2 4.06Å; T2371-I2386 CarbonylContact C-O 3.57Å; T2371-I2386 WeakPolarHBondContact CA-O 3.41Å; T2371-I2386 WeakPolarHBondContact CG2-O 3.34Å; V2372-I2386 HydrophobicContact CB-CG2 4.34Å; V2372-I2386 PolarHBondContact N-O 2.97Å; V2372-I2386 PolarHBondContact O-N 2.89Å
2387P93.5Very high87.6Confident38.8 Ų38.849.3 Ų49.325%0.25228%0.277SS..EExtended strand (participates in β ladder)trans-79.6153.2179.430.7-34.8000114.2T2299 Y2300 Y2301 F2370 Y2389T2299-P2387 WeakPolarHBondContact O-CD 3.2Å; Y2300-P2387 CarbonylContact C-O 3.5Å; Y2300-P2387 VanDerWaalsContact CA-O 3.27Å; Y2300-P2387 WeakPolarHBondContact CA-O 3.36Å; Y2300-P2387 WeakPolarHBondContact CB-O 3.15Å; Y2301-P2387 PolarHBondContact N-O 3.2Å; F2370-P2387 CarbonylContact O-C 3.45Å; F2370-P2387 WeakPolarHBondContact O-CA 3.13Å; P2387-Y2389 HydrophobicContact CB-CE2 4.08Å; P2387-Y2389 HydrophobicContact CG-CE2 4.33Å
2388V91.3Very high87.4Confident0.2 Ų0.248.6 Ų48.60%0.00127%0.273CS..EExtended strand (participates in β ladder)trans-134.7134.9-178.5-174.50000110.3Y2301 I2316 N2369 F2370 V2372 L2390Y2301-V2388 HydrophobicContact CD2-CG2 4.23Å; Y2301-V2388 WeakPolarHBondContact O-CA 3.25Å; I2316-V2388 HydrophobicContact CD1-CG1 4.07Å; I2316-V2388 HydrophobicContact CG2-CG1 4.27Å; N2369-V2388 WeakPolarHBondContact CA-O 3.42Å; F2370-V2388 HydrophobicContact CD1-CB 4.41Å; F2370-V2388 HydrophobicContact CD2-CB 3.92Å; F2370-V2388 HydrophobicContact CD2-CG2 4.11Å; F2370-V2388 HydrophobicContact CE1-CB 4.28Å; F2370-V2388 HydrophobicContact CE1-CG1 4.04Å; F2370-V2388 HydrophobicContact CE2-CB 3.6Å; F2370-V2388 HydrophobicContact CE2-CG1 3.81Å; F2370-V2388 HydrophobicContact CE2-CG2 3.7Å; F2370-V2388 HydrophobicContact CG-CB 4.4Å; F2370-V2388 HydrophobicContact CZ-CB 3.8Å; F2370-V2388 HydrophobicContact CZ-CG1 3.51Å; F2370-V2388 VanDerWaalsContact CZ-CG1 3.4Å; F2370-V2388 HydrophobicContact CZ-CG2 4.3Å; F2370-V2388 PolarHBondContact N-O 3.05Å; F2370-V2388 VanDerWaalsContact N-O 3.12Å; F2370-V2388 PolarHBondContact O-N 3.03Å; V2372-V2388 HydrophobicContact CG2-CG2 3.84Å; V2388-L2390 HydrophobicContact CG1-CD2 4.05Å; V2388-L2390 HydrophobicContact CG1-CG 4.24Å
2389Y90.7Very high87.5Confident100.2 Ų100.251.6 Ų51.639%0.39329%0.288SS..EExtended strand (participates in β ladder)trans-127.6116-180-53.9-81.3000111.2Y2300 Y2301 T2302 E2303 L2368 N2369 P2387Y2300-Y2389 HydrophobicContact CD2-CD2 4.27Å; Y2300-Y2389 HydrophobicContact CD2-CE2 4.39Å; Y2300-Y2389 HydrophobicContact CG-CD2 4.21Å; Y2300-Y2389 HydrophobicContact CG-CE2 4.31Å; Y2301-Y2389 PolarHBondContact O-N 3.03Å; Y2301-Y2389 VanDerWaalsContact O-N 3.09Å; T2302-Y2389 CarbonylContact C-O 3.51Å; T2302-Y2389 VanDerWaalsContact CA-O 3.25Å; T2302-Y2389 WeakPolarHBondContact CA-O 3.33Å; T2302-Y2389 HydrophobicContact CG2-CD2 4.03Å; T2302-Y2389 PolarHBondContact OG1-O 3.08Å; E2303-Y2389 PolarHBondContact N-O 2.97Å; E2303-Y2389 VanDerWaalsContact N-O 3.1Å; L2368-Y2389 CarbonylContact O-C 3.59Å; N2369-Y2389 HydrophobicContact CB-CD1 4.31Å; N2369-Y2389 HydrophobicContact CB-CE1 4.39Å; N2369-Y2389 WeakPolarHBondContact OD1-CD1 3.24Å; P2387-Y2389 HydrophobicContact CB-CE2 4.08Å; P2387-Y2389 HydrophobicContact CG-CE2 4.33Å
2390L90.6Very high87.9Confident0.2 Ų0.246.1 Ų46.10%0.00125%0.25CC..EExtended strand (participates in β ladder)trans-111.5126.3177.3-50.9177.4000110.8E2303 V2305 L2315 I2316 V2344 W2367 L2368 F2370 V2388E2303-L2390 HydrophobicContact CB-CD2 3.8Å; E2303-L2390 WeakPolarHBondContact O-CA 3.32Å; V2305-L2390 HydrophobicContact CG2-CB 4.29Å; V2305-L2390 HydrophobicContact CG2-CD1 4.36Å; V2305-L2390 HydrophobicContact CG2-CD2 4.38Å; L2315-L2390 HydrophobicContact CB-CD1 3.9Å; L2315-L2390 HydrophobicContact CD1-CD1 4.27Å; L2315-L2390 HydrophobicContact CG-CD1 4.46Å; I2316-L2390 HydrophobicContact CB-CD2 4.33Å; I2316-L2390 HydrophobicContact CD1-CD2 4.37Å; I2316-L2390 HydrophobicContact CG2-CD2 4.32Å; V2344-L2390 HydrophobicContact CG1-CD1 4.49Å; W2367-L2390 CarbonylContact C-O 3.44Å; W2367-L2390 VanDerWaalsContact CA-O 3.29Å; W2367-L2390 WeakPolarHBondContact CA-O 3.28Å; L2368-L2390 HydrophobicContact CB-CB 4.19Å; L2368-L2390 HydrophobicContact CB-CD1 4.38Å; L2368-L2390 HydrophobicContact CD1-CD1 4.4Å; L2368-L2390 PolarHBondContact N-O 3.05Å; L2368-L2390 WeakPolarHBondContact O-CB 3.27Å; L2368-L2390 PolarHBondContact O-N 3.03Å; F2370-L2390 HydrophobicContact CE1-CD1 3.85Å; F2370-L2390 HydrophobicContact CE1-CG 4.23Å; F2370-L2390 HydrophobicContact CZ-CD1 4.22Å; F2370-L2390 HydrophobicContact CZ-CG 4.4Å; V2388-L2390 HydrophobicContact CG1-CD2 4.05Å; V2388-L2390 HydrophobicContact CG1-CG 4.24Å
2391E88.5Confident88Confident55.8 Ų55.846 Ų4626%0.26124%0.242SC..EExtended strand (participates in β ladder)trans-94.9129.4174-175.4-176.2-169.100110E2303 R2304 V2305 W2367E2303-E2391 PolarHBondContact O-N 3.12Å; E2303-E2391 VanDerWaalsContact O-N 3.16Å; R2304-E2391 WeakPolarHBondContact CA-O 3.26Å; R2304-E2391 HydrophobicContact CG-CB 4.25Å; R2304-E2391 HydrophobicContact CG-CG 4.45Å; R2304-E2391 WeakPolarHBondContact CG-OE2 3.37Å; R2304-E2391 IonicContact CZ-OE1 2.93Å; R2304-E2391 IonicContact CZ-OE2 3.21Å; R2304-E2391 VanDerWaalsContact CZ-OE2 3.28Å; R2304-E2391 IonicContact NE-OE1 3.48Å; R2304-E2391 IonicContact NE-OE2 3.4Å; R2304-E2391 PolarHBondContact NE-OE2 3.15Å; R2304-E2391 VanDerWaalsContact NH2-CD 3.29Å; R2304-E2391 IonicContact NH2-OE1 3.04Å; R2304-E2391 PolarHBondContact NH2-OE1 3.22Å; R2304-E2391 IonicContact NH2-OE2 3.21Å; R2304-E2391 PolarHBondContact NH2-OE2 2.98Å; R2304-E2391 VanDerWaalsContact NH2-OE2 3.14Å; V2305-E2391 PolarHBondContact N-O 3.03Å; W2367-E2391 HydrophobicContact CD2-CB 4.47Å; W2367-E2391 HydrophobicContact CE3-CB 4.14Å; W2367-E2391 HydrophobicContact CH2-CB 3.76Å; W2367-E2391 HydrophobicContact CH2-CG 3.86Å; W2367-E2391 HydrophobicContact CZ2-CB 4.17Å; W2367-E2391 HydrophobicContact CZ2-CG 3.8Å; W2367-E2391 HydrophobicContact CZ3-CB 3.75Å; W2367-E2391 HydrophobicContact CZ3-CG 4.31Å
2392I88.9Confident88.2Confident5 Ų543.1 Ų43.13%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-92.6141179-50.3-46.5000110.3V2305 E2307 V2360 Y2362 V2365 H2366 L2368V2305-I2392 HydrophobicContact CB-CD1 4.08Å; V2305-I2392 HydrophobicContact CG1-CD1 4.42Å; V2305-I2392 CarbonylContact O-C 3.48Å; V2305-I2392 VanDerWaalsContact O-CA 3.3Å; V2305-I2392 WeakPolarHBondContact O-CA 3.22Å; E2307-I2392 HydrophobicContact CB-CG2 3.99Å; V2360-I2392 HydrophobicContact CG1-CB 4.15Å; V2360-I2392 HydrophobicContact CG1-CD1 3.51Å; V2360-I2392 HydrophobicContact CG1-CG1 3.7Å; V2360-I2392 VanDerWaalsContact CG1-CG1 3.45Å; V2360-I2392 HydrophobicContact CG1-CG2 3.87Å; Y2362-I2392 HydrophobicContact CD2-CB 4.33Å; Y2362-I2392 HydrophobicContact CD2-CG2 4.24Å; Y2362-I2392 WeakPolarHBondContact CD2-O 3.37Å; Y2362-I2392 VanDerWaalsContact CE2-O 3.24Å; Y2362-I2392 WeakPolarHBondContact CE2-O 3.34Å; V2365-I2392 WeakPolarHBondContact O-CB 3.43Å; V2365-I2392 VanDerWaalsContact O-CG1 3.24Å; V2365-I2392 WeakPolarHBondContact O-CG1 3.4Å; H2366-I2392 PolarHBondContact O-N 2.98Å; L2368-I2392 HydrophobicContact CD1-CD1 4.15Å; L2368-I2392 HydrophobicContact CG-CD1 4.14Å; L2368-I2392 HydrophobicContact CG-CG1 4.39Å
2393V84.2Confident88.1Confident39.2 Ų39.243.5 Ų43.524%0.23823%0.23CC..EExtended strand (participates in β ladder)trans-121.7117.5-175.7-178.80000111.1R2304 V2305 L2306 E2307R2304-V2393 HydrophobicContact CB-CG2 4.01Å; R2304-V2393 HydrophobicContact CG-CG2 3.89Å; V2305-V2393 PolarHBondContact O-N 3.04Å; L2306-V2393 HydrophobicContact CD2-CB 4.17Å; L2306-V2393 HydrophobicContact CD2-CG1 4.17Å; E2307-V2393 WeakPolarHBondContact CB-O 3.44Å; E2307-V2393 VanDerWaalsContact CG-O 3.31Å; E2307-V2393 WeakPolarHBondContact CG-O 3.32Å; E2307-V2393 PolarHBondContact N-O 2.93Å
2394D84.3Confident87.7Confident36.4 Ų36.446.5 Ų46.520%0.19524%0.238CC..  trans-43.9130.1168-177-5.8000113.6E2307 Y2362 S2431 F2434E2307-D2394 VanDerWaalsContact OE1-C 3.23Å; E2307-D2394 VanDerWaalsContact OE1-CA 3.26Å; E2307-D2394 WeakPolarHBondContact OE1-CA 3.34Å; Y2362-D2394 HydrophobicContact CD1-CB 3.76Å; Y2362-D2394 HydrophobicContact CD2-CB 4.03Å; Y2362-D2394 VanDerWaalsContact CD2-N 3.31Å; Y2362-D2394 HydrophobicContact CE1-CB 3.77Å; Y2362-D2394 WeakPolarHBondContact CE1-OD2 3.32Å; Y2362-D2394 HydrophobicContact CE2-CB 4.02Å; Y2362-D2394 HydrophobicContact CG-CB 3.9Å; D2394-S2431 WeakPolarHBondContact OD2-CA 3.25Å; D2394-S2431 WeakPolarHBondContact OD2-CB 3.4Å; D2394-S2431 PolarHBondContact OD2-N 2.77Å; D2394-F2434 VanDerWaalsContact OD1-CD2 3.23Å; D2394-F2434 WeakPolarHBondContact OD1-CD2 3.17Å; D2394-F2434 WeakPolarHBondContact OD1-CE2 3.32Å
2395I83.3Confident87.3Confident61.8 Ų61.851.1 Ų51.132%0.31727%0.266SS..  trans-127.5155.2169.359.7-175.4000108.9L2306 E2307 D2397L2306-I2395 HydrophobicContact CB-CD1 4.46Å; L2306-I2395 HydrophobicContact CB-CG2 4.3Å; L2306-I2395 HydrophobicContact CD2-CG2 4Å; E2307-I2395 HydrophobicContact CG-CB 4.28Å; E2307-I2395 HydrophobicContact CG-CD1 3.87Å; E2307-I2395 HydrophobicContact CG-CG1 3.76Å; E2307-I2395 HydrophobicContact CG-CG2 4.4Å; E2307-I2395 PolarHBondContact OE1-N 3.04Å; I2395-D2397 VanDerWaalsContact C-N 3.3Å; I2395-D2397 HydrophobicContact CB-CB 4.39Å; I2395-D2397 HydrophobicContact CG1-CB 4.15Å; I2395-D2397 HydrophobicContact CG2-CB 4.46Å; I2395-D2397 VanDerWaalsContact O-CB 3.29Å; I2395-D2397 WeakPolarHBondContact O-CB 3.37Å; I2395-D2397 PolarHBondContact O-N 3.05Å
2396N84.2Confident87Confident14.8 Ų14.849 Ų498%0.07926%0.263CS..SBendtrans-63.593.8173.2-172.2-23.9000109.9D2430 F2434 D2479 N2487 R2489N2396-D2430 VanDerWaalsContact CA-OD2 3.24Å; N2396-D2430 WeakPolarHBondContact CA-OD2 3.42Å; N2396-D2430 PolarHBondContact OD1-OD2 2.89Å; N2396-F2434 HydrophobicContact CB-CB 4.44Å; N2396-F2434 HydrophobicContact CB-CD1 3.91Å; N2396-F2434 HydrophobicContact CB-CD2 4.03Å; N2396-F2434 HydrophobicContact CB-CE1 4.07Å; N2396-F2434 HydrophobicContact CB-CE2 4Å; N2396-F2434 HydrophobicContact CB-CG 3.91Å; N2396-F2434 HydrophobicContact CB-CZ 4.04Å; N2396-F2434 VanDerWaalsContact CG-CG 3.41Å; N2396-F2434 WeakPolarHBondContact ND2-CB 3.04Å; N2396-F2434 VanDerWaalsContact ND2-CD1 3.32Å; N2396-F2434 WeakPolarHBondContact ND2-CD1 3.26Å; N2396-F2434 WeakPolarHBondContact ND2-CG 3.46Å; N2396-F2434 WeakPolarHBondContact OD1-CB 3.03Å; N2396-F2434 WeakPolarHBondContact OD1-CG 3.46Å; N2396-D2479 PolarHBondContact ND2-OD1 2.57Å; N2396-D2479 PolarHBondContact ND2-OD2 2.77Å; N2396-D2479 PolarHBondContact OD1-OD2 3.1Å; N2396-N2487 PolarHBondContact ND2-O 2.99Å; N2396-N2487 VanDerWaalsContact ND2-O 3.13Å; N2396-R2489 VanDerWaalsContact O-CZ 3.25Å; N2396-R2489 PolarHBondContact O-NE 3.14Å; N2396-R2489 PolarHBondContact O-NH2 3.13Å; N2396-R2489 WeakPolarHBondContact OD1-CD 3.41Å; N2396-R2489 VanDerWaalsContact OD1-CG 3.23Å; N2396-R2489 WeakPolarHBondContact OD1-CG 3.4Å; N2396-R2489 PolarHBondContact OD1-NE 3Å
2397D83.1Confident86.8Confident55.8 Ų55.849.4 Ų49.430%0.29826%0.264SS..  trans-117.9-32.8-163.1170-86.7000113I2395 D2430 R2489I2395-D2397 VanDerWaalsContact C-N 3.3Å; I2395-D2397 HydrophobicContact CB-CB 4.39Å; I2395-D2397 HydrophobicContact CG1-CB 4.15Å; I2395-D2397 HydrophobicContact CG2-CB 4.46Å; I2395-D2397 VanDerWaalsContact O-CB 3.29Å; I2395-D2397 WeakPolarHBondContact O-CB 3.37Å; I2395-D2397 PolarHBondContact O-N 3.05Å; D2397-D2430 PolarHBondContact N-OD1 3.15Å; D2397-D2430 PolarHBondContact N-OD2 2.94Å; D2397-R2489 VanDerWaalsContact C-CZ 3.44Å; D2397-R2489 VanDerWaalsContact C-NH1 3.27Å; D2397-R2489 VanDerWaalsContact CA-NH2 3.31Å; D2397-R2489 VanDerWaalsContact O-CZ 3.29Å; D2397-R2489 PolarHBondContact O-NH1 2.86Å; D2397-R2489 PolarHBondContact O-NH2 3.27Å; D2397-R2489 VanDerWaalsContact O-NH2 3.1Å
2398N82.3Confident86.6Confident46.8 Ų46.853.9 Ų53.925%0.2528%0.282SS..PPolyproline II helixtrans-96.5152.7178.6-65.6-88.9000111.6A2429 D2430 R2489N2398-A2429 HydrophobicContact CB-CB 3.93Å; N2398-D2430 WeakPolarHBondContact CA-OD2 3.43Å; N2398-D2430 HydrophobicContact CB-CB 4.42Å; N2398-D2430 VanDerWaalsContact CB-CG 3.48Å; N2398-D2430 WeakPolarHBondContact CB-OD1 3.46Å; N2398-D2430 VanDerWaalsContact N-CG 3.34Å; N2398-D2430 PolarHBondContact N-OD1 2.97Å; N2398-D2430 VanDerWaalsContact N-OD1 3.11Å; N2398-D2430 PolarHBondContact N-OD2 3.22Å; N2398-D2430 PolarHBondContact ND2-OD1 3.1Å; N2398-R2489 WeakPolarHBondContact O-CD 3.29Å
2399N84.2Confident86.5Confident67.8 Ų67.858.4 Ų58.436%0.36330%0.303SS..PPolyproline II helixtrans-101.1149174-65.82.7000109.1I2401 R2489 E2490 N2491N2399-I2401 VanDerWaalsContact O-CG1 3.28Å; N2399-I2401 WeakPolarHBondContact O-CG1 3.33Å; N2399-I2401 PolarHBondContact O-N 3.03Å; N2399-I2401 VanDerWaalsContact O-N 3.1Å; N2399-R2489 HydrophobicContact CB-CB 4.4Å; N2399-R2489 VanDerWaalsContact OD1-CB 3.31Å; N2399-R2489 WeakPolarHBondContact OD1-CB 3.19Å; N2399-R2489 VanDerWaalsContact OD1-CD 3.25Å; N2399-R2489 WeakPolarHBondContact OD1-CD 3.38Å; N2399-R2489 WeakPolarHBondContact OD1-CG 3.31Å; N2399-R2489 PolarHBondContact OD1-NH1 2.96Å; N2399-R2489 VanDerWaalsContact OD1-NH1 3.14Å; N2399-E2490 PolarHBondContact ND2-O 3.24Å; N2399-N2491 HydrophobicContact CB-CB 4.27Å
2400P89.1Confident86.3Confident0 Ų056.5 Ų56.50%031%0.308CS..PPolyproline II helixtrans-56.5125.5172.2-16.219.5000111.6A2426 T2427 D2428 I2437 A2477 D2479 N2491P2400-A2426 HydrophobicContact CB-CB 4.37Å; P2400-T2427 CarbonylContact C-O 3.57Å; P2400-T2427 WeakPolarHBondContact CA-O 3.46Å; P2400-D2428 VanDerWaalsContact CA-OD2 3.31Å; P2400-D2428 WeakPolarHBondContact CA-OD2 3.36Å; P2400-D2428 HydrophobicContact CB-CB 4.18Å; P2400-D2428 VanDerWaalsContact CD-OD2 3.27Å; P2400-D2428 WeakPolarHBondContact CD-OD2 3.26Å; P2400-D2428 VanDerWaalsContact CG-OD2 3.24Å; P2400-D2428 WeakPolarHBondContact CG-OD2 3.35Å; P2400-D2428 VanDerWaalsContact N-OD2 3.14Å; P2400-I2437 HydrophobicContact CB-CD1 4.04Å; P2400-I2437 HydrophobicContact CB-CG1 4.19Å; P2400-I2437 HydrophobicContact CB-CG2 4.41Å; P2400-I2437 HydrophobicContact CG-CG1 4.47Å; P2400-A2477 HydrophobicContact CB-CB 4.1Å; P2400-A2477 HydrophobicContact CG-CB 4.36Å; P2400-A2477 WeakPolarHBondContact CG-O 3.24Å; P2400-D2479 WeakPolarHBondContact CD-OD2 3.2Å; P2400-D2479 HydrophobicContact CG-CB 3.99Å; P2400-N2491 HydrophobicContact CG-CB 4.19Å; P2400-N2491 WeakPolarHBondContact O-CB 3.36Å; P2400-N2491 VanDerWaalsContact O-CG 3.3Å; P2400-N2491 PolarHBondContact O-ND2 2.99Å
2401I87.1Confident86.2Confident100.25 Ų100.2557.2 Ų57.251%0.51431%0.312SS..EExtended strand (participates in β ladder)trans-105.5122.8-175.7-51.9-175.8000110.3N2399 A2426 T2427N2399-I2401 VanDerWaalsContact O-CG1 3.28Å; N2399-I2401 WeakPolarHBondContact O-CG1 3.33Å; N2399-I2401 PolarHBondContact O-N 3.03Å; N2399-I2401 VanDerWaalsContact O-N 3.1Å; I2401-A2426 CarbonylContact O-C 3.52Å; I2401-A2426 WeakPolarHBondContact O-CA 3.31Å; I2401-A2426 VanDerWaalsContact O-CB 3.29Å; I2401-A2426 WeakPolarHBondContact O-CB 3.29Å; I2401-T2427 WeakPolarHBondContact CA-O 3.35Å; I2401-T2427 WeakPolarHBondContact CB-O 3.32Å; I2401-T2427 PolarHBondContact N-O 2.93Å; I2401-T2427 PolarHBondContact O-N 2.99Å; I2401-T2427 PolarHBondContact O-OG1 3.04Å
2402F90.7Very high86.1Confident16.5 Ų16.560.4 Ų60.47%0.07233%0.325CS..EExtended strand (participates in β ladder)trans-70.5142.3173.5-75.7-86.4000112.6Q2404 Y2407 V2424 T2425 A2426 Y2439 A2477 N2491 V2493F2402-Q2404 WeakPolarHBondContact CB-O 3.43Å; F2402-Q2404 PolarHBondContact O-N 2.98Å; F2402-Q2404 VanDerWaalsContact O-N 3.15Å; F2402-Y2407 HydrophobicContact CB-CE2 4.45Å; F2402-Y2407 HydrophobicContact CD1-CE2 4.21Å; F2402-V2424 HydrophobicContact CD1-CB 4.22Å; F2402-V2424 HydrophobicContact CD1-CG2 4.5Å; F2402-V2424 HydrophobicContact CE1-CB 3.97Å; F2402-V2424 HydrophobicContact CE1-CG2 3.87Å; F2402-T2425 CarbonylContact C-O 3.57Å; F2402-T2425 VanDerWaalsContact CA-O 3.31Å; F2402-T2425 WeakPolarHBondContact CA-O 3.28Å; F2402-T2425 WeakPolarHBondContact CB-O 3.48Å; F2402-T2425 VanDerWaalsContact CD1-O 3.25Å; F2402-T2425 WeakPolarHBondContact CD1-O 3.38Å; F2402-A2426 HydrophobicContact CB-CB 4.31Å; F2402-A2426 HydrophobicContact CD1-CB 3.9Å; F2402-A2426 HydrophobicContact CD2-CB 4.18Å; F2402-A2426 HydrophobicContact CE1-CB 4.22Å; F2402-A2426 HydrophobicContact CG-CB 4.05Å; F2402-Y2439 HydrophobicContact CD1-CE1 4.2Å; F2402-Y2439 AromaticContact CE1-CD1 3.62Å; F2402-Y2439 HydrophobicContact CE1-CD1 4.08Å; F2402-Y2439 AromaticContact CE1-CE1 3.73Å; F2402-Y2439 HydrophobicContact CE1-CE1 3.9Å; F2402-Y2439 VanDerWaalsContact CE1-CE1 3.46Å; F2402-Y2439 AromaticContact CZ-CD1 3.95Å; F2402-Y2439 HydrophobicContact CZ-CD1 4.27Å; F2402-Y2439 HydrophobicContact CZ-CE1 4.07Å; F2402-A2477 HydrophobicContact CD2-CB 4.26Å; F2402-A2477 HydrophobicContact CE1-CB 4.13Å; F2402-A2477 HydrophobicContact CE2-CB 3.64Å; F2402-A2477 HydrophobicContact CZ-CB 3.44Å; F2402-A2477 VanDerWaalsContact CZ-CB 3.46Å; F2402-N2491 WeakPolarHBondContact CE2-O 3.3Å; F2402-V2493 HydrophobicContact CB-CB 4.19Å; F2402-V2493 HydrophobicContact CB-CG1 4.37Å; F2402-V2493 HydrophobicContact CB-CG2 4.32Å; F2402-V2493 HydrophobicContact CD1-CB 4.19Å; F2402-V2493 HydrophobicContact CD1-CG1 3.62Å; F2402-V2493 HydrophobicContact CD2-CB 3.66Å; F2402-V2493 HydrophobicContact CD2-CG1 3.84Å; F2402-V2493 HydrophobicContact CE1-CB 4.39Å; F2402-V2493 HydrophobicContact CE1-CG1 3.61Å; F2402-V2493 HydrophobicContact CE2-CB 3.98Å; F2402-V2493 HydrophobicContact CE2-CG1 3.81Å; F2402-V2493 HydrophobicContact CG-CB 3.76Å; F2402-V2493 HydrophobicContact CG-CG1 3.73Å; F2402-V2493 HydrophobicContact CG-CG2 4.45Å; F2402-V2493 HydrophobicContact CZ-CB 4.38Å; F2402-V2493 HydrophobicContact CZ-CG1 3.69Å
2403D86.3Confident86.1Confident98.75 Ų98.7561.8 Ų61.853%0.52833%0.332SS..SBendtrans-62.1-22.6-179.5-54.9-13.1000113.8Y2407 T2425D2403-Y2407 PolarHBondContact OD1-OH 2.73Å; D2403-T2425 PolarHBondContact N-O 3.18Å; D2403-T2425 WeakPolarHBondContact OD2-CB 3.36Å; D2403-T2425 PolarHBondContact OD2-OG1 3.09Å
2404Q83.9Confident86.1Confident98.5 Ų98.566.3 Ų66.346%0.4635%0.354SS..SBendtrans-130.8140.9176.1-62.2-178.741.600109.9F2402 S2406 Y2407 V2493F2402-Q2404 WeakPolarHBondContact CB-O 3.43Å; F2402-Q2404 PolarHBondContact O-N 2.98Å; F2402-Q2404 VanDerWaalsContact O-N 3.15Å; Q2404-S2406 VanDerWaalsContact C-N 3.3Å; Q2404-S2406 PolarHBondContact O-N 3.05Å; Q2404-Y2407 HydrophobicContact CB-CD1 4.24Å; Q2404-Y2407 HydrophobicContact CB-CD2 4.36Å; Q2404-Y2407 HydrophobicContact CB-CE1 4.14Å; Q2404-Y2407 HydrophobicContact CB-CE2 4.08Å; Q2404-Y2407 HydrophobicContact CB-CG 4.45Å; Q2404-Y2407 HydrophobicContact CG-CD1 4.37Å; Q2404-Y2407 HydrophobicContact CG-CE1 4.1Å; Q2404-V2493 WeakPolarHBondContact O-CG2 3.33Å
2405P82.8Confident86.3Confident124.25 Ų124.2566.7 Ų66.781%0.80736%0.356SS*.SBendtrans-72.6-19.3-179.230.5-36.3000113.2V2493P2405-V2493 WeakPolarHBondContact O-CG2 3.19Å
2406S86.6Confident86.3Confident62.25 Ų62.2566.9 Ų66.944%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-159.8147.8174.558.40000109.3Q2404 Q2494Q2404-S2406 VanDerWaalsContact C-N 3.3Å; Q2404-S2406 PolarHBondContact O-N 3.05Å; S2406-Q2494 VanDerWaalsContact CA-O 3.31Å; S2406-Q2494 WeakPolarHBondContact CA-O 3.42Å
2407Y87.9Confident86.4Confident14 Ų1470.3 Ų70.36%0.05539%0.389CS..EExtended strand (participates in β ladder)trans-110.6138171.1-63-98.5000108.4F2402 D2403 Q2404 L2422 R2423 V2424 T2425 V2493 Q2494 V2495 V2496F2402-Y2407 HydrophobicContact CB-CE2 4.45Å; F2402-Y2407 HydrophobicContact CD1-CE2 4.21Å; D2403-Y2407 PolarHBondContact OD1-OH 2.73Å; Q2404-Y2407 HydrophobicContact CB-CD1 4.24Å; Q2404-Y2407 HydrophobicContact CB-CD2 4.36Å; Q2404-Y2407 HydrophobicContact CB-CE1 4.14Å; Q2404-Y2407 HydrophobicContact CB-CE2 4.08Å; Q2404-Y2407 HydrophobicContact CB-CG 4.45Å; Q2404-Y2407 HydrophobicContact CG-CD1 4.37Å; Q2404-Y2407 HydrophobicContact CG-CE1 4.1Å; Y2407-L2422 HydrophobicContact CD1-CD1 4.18Å; Y2407-L2422 HydrophobicContact CG-CD1 4.15Å; Y2407-R2423 WeakPolarHBondContact CD1-O 3.41Å; Y2407-R2423 VanDerWaalsContact CE1-O 3.27Å; Y2407-R2423 WeakPolarHBondContact CE1-O 3.39Å; Y2407-V2424 HydrophobicContact CD1-CG1 4.31Å; Y2407-V2424 HydrophobicContact CD2-CB 4.27Å; Y2407-V2424 HydrophobicContact CD2-CG1 3.69Å; Y2407-V2424 VanDerWaalsContact CD2-CG1 3.49Å; Y2407-V2424 HydrophobicContact CE1-CB 4.46Å; Y2407-V2424 HydrophobicContact CE1-CG1 4.35Å; Y2407-V2424 HydrophobicContact CE2-CB 3.92Å; Y2407-V2424 HydrophobicContact CE2-CG1 3.63Å; Y2407-V2424 HydrophobicContact CG-CG1 4.1Å; Y2407-T2425 PolarHBondContact OH-N 2.98Å; Y2407-T2425 VanDerWaalsContact OH-N 3.11Å; Y2407-T2425 PolarHBondContact OH-O 2.92Å; Y2407-T2425 PolarHBondContact OH-OG1 2.83Å; Y2407-V2493 HydrophobicContact CD2-CB 4.45Å; Y2407-V2493 HydrophobicContact CD2-CG1 4.11Å; Y2407-V2493 HydrophobicContact CD2-CG2 3.78Å; Y2407-V2493 HydrophobicContact CE2-CB 4.41Å; Y2407-V2493 HydrophobicContact CE2-CG1 3.97Å; Y2407-V2493 HydrophobicContact CE2-CG2 3.84Å; Y2407-Q2494 PolarHBondContact N-O 3Å; Y2407-V2495 HydrophobicContact CD2-CG2 4.38Å; Y2407-V2495 CarbonylContact O-C 3.52Å; Y2407-V2495 VanDerWaalsContact O-CA 3.26Å; Y2407-V2495 WeakPolarHBondContact O-CA 3.36Å; Y2407-V2496 PolarHBondContact O-N 3.26Å
2408Q87.8Confident86.5Confident132.5 Ų132.570.3 Ų70.362%0.61940%0.401SS*.EExtended strand (participates in β ladder)trans-137.5133.1179.3-175.4176.35.700111.3V2496Q2408-V2496 CarbonylContact C-O 3.25Å; Q2408-V2496 VanDerWaalsContact CA-O 3.29Å; Q2408-V2496 WeakPolarHBondContact CA-O 3.37Å; Q2408-V2496 HydrophobicContact CB-CB 4.46Å; Q2408-V2496 HydrophobicContact CG-CB 4.26Å; Q2408-V2496 HydrophobicContact CG-CG1 4.45Å
2409E89Confident86.8Confident95.5 Ų95.571.1 Ų71.145%0.44641%0.408SS..EExtended strand (participates in β ladder)trans-137.9159172.7-100.9-46.1175.800111.1I2421 L2422 V2496 I2497 R2498E2409-I2421 HydrophobicContact CB-CG2 3.81Å; E2409-I2421 HydrophobicContact CG-CG2 3.83Å; E2409-L2422 HydrophobicContact CB-CD2 4.03Å; E2409-L2422 HydrophobicContact CG-CB 4.29Å; E2409-L2422 HydrophobicContact CG-CD2 3.94Å; E2409-V2496 PolarHBondContact N-O 3.13Å; E2409-V2496 VanDerWaalsContact N-O 3.17Å; E2409-I2497 CarbonylContact O-C 3.5Å; E2409-I2497 WeakPolarHBondContact O-CA 3.29Å; E2409-R2498 PolarHBondContact O-N 3.19Å; E2409-R2498 VanDerWaalsContact O-N 3.15Å
2410A87.1Confident87.1Confident60.5 Ų60.572.3 Ų72.350%0.542%0.418SS..EExtended strand (participates in β ladder)trans-122.4134.1-179.200000112.1R2498 L2500A2410-R2498 CarbonylContact C-O 3.58Å; A2410-R2498 WeakPolarHBondContact CA-O 3.26Å; A2410-R2498 HydrophobicContact CB-CB 4.39Å; A2410-L2500 HydrophobicContact CB-CD1 3.97Å; A2410-L2500 HydrophobicContact CB-CD2 4.09Å; A2410-L2500 HydrophobicContact CB-CG 4.05Å
2411V88.7Confident87Confident15 Ų1573.7 Ų73.79%0.09143%0.425CS..EExtended strand (participates in β ladder)trans-135.8149-175.8-63.30000110.2I2415 I2421 L2463 I2497 R2498 V2499 L2500V2411-I2415 HydrophobicContact CB-CB 4.45Å; V2411-I2415 HydrophobicContact CB-CD1 3.74Å; V2411-I2415 HydrophobicContact CB-CG2 4.26Å; V2411-I2415 HydrophobicContact CG1-CD1 3.57Å; V2411-I2415 VanDerWaalsContact CG1-CD1 3.43Å; V2411-I2415 HydrophobicContact CG2-CG2 4.44Å; V2411-I2421 HydrophobicContact CG1-CG1 4.26Å; V2411-I2421 HydrophobicContact CG1-CG2 4.01Å; V2411-L2463 HydrophobicContact CB-CD1 4.46Å; V2411-L2463 HydrophobicContact CG2-CD1 3.52Å; V2411-L2463 VanDerWaalsContact CG2-CD1 3.47Å; V2411-I2497 HydrophobicContact CB-CG2 4.43Å; V2411-I2497 HydrophobicContact CG1-CG2 4.24Å; V2411-I2497 HydrophobicContact CG2-CG2 3.62Å; V2411-R2498 VanDerWaalsContact CG2-O 3.3Å; V2411-R2498 WeakPolarHBondContact CG2-O 3.42Å; V2411-R2498 PolarHBondContact N-O 3.03Å; V2411-R2498 VanDerWaalsContact O-O 3.06Å; V2411-V2499 HydrophobicContact CG2-CG2 4.35Å; V2411-V2499 CarbonylContact O-C 3.54Å; V2411-V2499 VanDerWaalsContact O-CA 3.25Å; V2411-V2499 WeakPolarHBondContact O-CA 3.26Å; V2411-L2500 PolarHBondContact O-N 3.02Å
2412F87.4Confident87.2Confident122.5 Ų122.570.1 Ų70.154%0.53741%0.406SS..EExtended strand (participates in β ladder)trans-78.8155.4169.6-69.4-87.3000110.3D2414 I2415 L2500 V2502F2412-D2414 VanDerWaalsContact C-N 3.33Å; F2412-D2414 WeakPolarHBondContact CB-OD1 3.29Å; F2412-D2414 PolarHBondContact O-N 3.06Å; F2412-D2414 VanDerWaalsContact O-N 3.14Å; F2412-I2415 VanDerWaalsContact O-CB 3.27Å; F2412-I2415 WeakPolarHBondContact O-CB 3.19Å; F2412-I2415 VanDerWaalsContact O-CG2 3.3Å; F2412-I2415 WeakPolarHBondContact O-CG2 3.18Å; F2412-I2415 PolarHBondContact O-N 3.08Å; F2412-L2500 WeakPolarHBondContact CA-O 3.14Å; F2412-L2500 HydrophobicContact CD1-CB 3.78Å; F2412-L2500 HydrophobicContact CD1-CD1 3.91Å; F2412-L2500 HydrophobicContact CD1-CG 4.36Å; F2412-L2500 HydrophobicContact CD2-CD1 4.22Å; F2412-L2500 HydrophobicContact CE1-CB 4.08Å; F2412-L2500 HydrophobicContact CE1-CD1 3.71Å; F2412-L2500 VanDerWaalsContact CE1-CD1 3.44Å; F2412-L2500 HydrophobicContact CE1-CG 4.48Å; F2412-L2500 HydrophobicContact CE2-CD1 4.02Å; F2412-L2500 HydrophobicContact CG-CB 4.3Å; F2412-L2500 HydrophobicContact CG-CD1 4.03Å; F2412-L2500 HydrophobicContact CZ-CD1 3.76Å; F2412-V2502 HydrophobicContact CB-CG2 4.05Å; F2412-V2502 HydrophobicContact CD1-CG2 3.9Å; F2412-V2502 HydrophobicContact CG-CG2 4.4Å
2413E87.5Confident87.2Confident34.5 Ų34.576.1 Ų76.116%0.16143%0.428CS..THydrogen-bonded Turntrans-65.5-23.5178.161.9-174.2151.800114I2415 L2463 D2464 R2465 V2499 L2500 D2501 V2502E2413-I2415 VanDerWaalsContact C-N 3.32Å; E2413-I2415 PolarHBondContact O-N 3.09Å; E2413-I2415 VanDerWaalsContact O-N 3.12Å; E2413-L2463 HydrophobicContact CB-CB 4.08Å; E2413-L2463 CarbonylContact O-C 3.57Å; E2413-L2463 VanDerWaalsContact O-O 3.1Å; E2413-D2464 WeakPolarHBondContact OE2-CA 3.23Å; E2413-R2465 HydrophobicContact CB-CB 4.42Å; E2413-R2465 VanDerWaalsContact OE2-CB 3.28Å; E2413-R2465 WeakPolarHBondContact OE2-CB 3.11Å; E2413-R2465 PolarHBondContact OE2-N 3.05Å; E2413-V2499 VanDerWaalsContact CA-CG1 3.43Å; E2413-V2499 HydrophobicContact CB-CG1 3.55Å; E2413-L2500 PolarHBondContact N-O 2.8Å; E2413-L2500 VanDerWaalsContact N-O 3.15Å; E2413-D2501 WeakPolarHBondContact OE1-CA 3.09Å; E2413-V2502 HydrophobicContact CG-CB 4.15Å; E2413-V2502 HydrophobicContact CG-CG2 4.1Å; E2413-V2502 WeakPolarHBondContact OE1-CB 3.33Å; E2413-V2502 VanDerWaalsContact OE1-CG2 3.24Å; E2413-V2502 WeakPolarHBondContact OE1-CG2 3.21Å; E2413-V2502 PolarHBondContact OE1-N 2.81Å
2414D85.1Confident87.5Confident133.5 Ų133.571.4 Ų71.471%0.71440%0.403SS*.THydrogen-bonded Turntrans-83.710.417876.3-23.6000114.7F2412 A2416 V2502F2412-D2414 VanDerWaalsContact C-N 3.33Å; F2412-D2414 WeakPolarHBondContact CB-OD1 3.29Å; F2412-D2414 PolarHBondContact O-N 3.06Å; F2412-D2414 VanDerWaalsContact O-N 3.14Å; D2414-A2416 PolarHBondContact O-N 3.24Å; D2414-V2502 HydrophobicContact CB-CG2 4.41Å
2415I87.9Confident87.8Confident44.25 Ų44.2568.6 Ų68.623%0.22739%0.393CS..PPolyproline II helixtrans-63.6144.2-175.3-166.2166.5000114.6V2411 F2412 E2413 V2417 T2419 V2459 L2463V2411-I2415 HydrophobicContact CB-CB 4.45Å; V2411-I2415 HydrophobicContact CB-CD1 3.74Å; V2411-I2415 HydrophobicContact CB-CG2 4.26Å; V2411-I2415 HydrophobicContact CG1-CD1 3.57Å; V2411-I2415 VanDerWaalsContact CG1-CD1 3.43Å; V2411-I2415 HydrophobicContact CG2-CG2 4.44Å; F2412-I2415 VanDerWaalsContact O-CB 3.27Å; F2412-I2415 WeakPolarHBondContact O-CB 3.19Å; F2412-I2415 VanDerWaalsContact O-CG2 3.3Å; F2412-I2415 WeakPolarHBondContact O-CG2 3.18Å; F2412-I2415 PolarHBondContact O-N 3.08Å; E2413-I2415 VanDerWaalsContact C-N 3.32Å; E2413-I2415 PolarHBondContact O-N 3.09Å; E2413-I2415 VanDerWaalsContact O-N 3.12Å; I2415-V2417 PolarHBondContact O-N 3.12Å; I2415-T2419 HydrophobicContact CD1-CG2 3.92Å; I2415-T2419 HydrophobicContact CG1-CG2 4.16Å; I2415-V2459 HydrophobicContact CD1-CG2 4.2Å; I2415-V2459 HydrophobicContact CG1-CG2 4.39Å; I2415-V2459 HydrophobicContact CG2-CG1 4.42Å; I2415-V2459 HydrophobicContact CG2-CG2 3.95Å; I2415-L2463 HydrophobicContact CG2-CD1 3.65Å; I2415-L2463 HydrophobicContact CG2-CG 4.05Å
2416A84Confident88.1Confident67.5 Ų67.563.3 Ų63.356%0.55836%0.359SS*.PPolyproline II helixtrans-77.4137.3-178.700000114.4D2414 G2418 T2419D2414-A2416 PolarHBondContact O-N 3.24Å; A2416-G2418 PolarHBondContact O-N 3.37Å; A2416-T2419 VanDerWaalsContact O-CB 3.25Å; A2416-T2419 WeakPolarHBondContact O-CB 2.97Å; A2416-T2419 PolarHBondContact O-N 2.71Å; A2416-T2419 PolarHBondContact O-OG1 3.01Å
2417V86.4Confident88.2Confident86.25 Ų86.2564.5 Ų64.552%0.52336%0.364SS..THydrogen-bonded Turntrans-68.3141.7-179.7179.50000112.4I2415 V2459 L2460I2415-V2417 PolarHBondContact O-N 3.12Å; V2417-V2459 HydrophobicContact CG2-CG1 4.41Å; V2417-L2460 VanDerWaalsContact CG1-O 3.26Å; V2417-L2460 WeakPolarHBondContact CG1-O 3.35Å
2418G85.5Confident88.2Confident54.25 Ų54.2565.2 Ų65.256%0.55937%0.369SS*.THydrogen-bonded Turntrans96.6-2.4179.500000115.1A2416 V2459A2416-G2418 PolarHBondContact O-N 3.37Å; G2418-V2459 VanDerWaalsContact CA-O 3.26Å; G2418-V2459 WeakPolarHBondContact CA-O 3.36Å; G2418-V2459 PolarHBondContact N-O 3.05Å; G2418-V2459 VanDerWaalsContact N-O 3.08Å
2419T88Confident88Confident63.75 Ų63.7561.5 Ų61.539%0.39136%0.362SS..  trans-73.8132-179.1-52.60000111.2I2415 A2416 S2458 V2459I2415-T2419 HydrophobicContact CD1-CG2 3.92Å; I2415-T2419 HydrophobicContact CG1-CG2 4.16Å; A2416-T2419 VanDerWaalsContact O-CB 3.25Å; A2416-T2419 WeakPolarHBondContact O-CB 2.97Å; A2416-T2419 PolarHBondContact O-N 2.71Å; A2416-T2419 PolarHBondContact O-OG1 3.01Å; T2419-S2458 CarbonylContact O-C 3.52Å; T2419-S2458 VanDerWaalsContact O-CA 3.28Å; T2419-S2458 WeakPolarHBondContact O-CA 3.24Å; T2419-S2458 WeakPolarHBondContact O-CB 3.44Å; T2419-V2459 WeakPolarHBondContact O-CG2 3.46Å; T2419-V2459 PolarHBondContact O-N 3.01Å
2420V89.8Confident87.9Confident94.5 Ų94.557.3 Ų57.357%0.57334%0.342SS*.EExtended strand (participates in β ladder)trans-76.4133170.2177.90000108.8D2456 I2457V2420-D2456 HydrophobicContact CG1-CB 3.99Å; V2420-D2456 HydrophobicContact CG2-CB 4.49Å; V2420-I2457 CarbonylContact C-O 3.51Å; V2420-I2457 WeakPolarHBondContact CA-O 3.41Å; V2420-I2457 WeakPolarHBondContact CG1-O 3.24Å
2421I88Confident87.6Confident28.5 Ų28.557.2 Ų57.215%0.14634%0.337CS..EExtended strand (participates in β ladder)trans-100.6-55.4-172.3-49.8175.9000110.2E2409 V2411 F2448 I2457 V2459 I2497E2409-I2421 HydrophobicContact CB-CG2 3.81Å; E2409-I2421 HydrophobicContact CG-CG2 3.83Å; V2411-I2421 HydrophobicContact CG1-CG1 4.26Å; V2411-I2421 HydrophobicContact CG1-CG2 4.01Å; I2421-F2448 HydrophobicContact CD1-CD1 3.5Å; I2421-F2448 VanDerWaalsContact CD1-CD1 3.45Å; I2421-F2448 HydrophobicContact CD1-CE1 3.47Å; I2421-F2448 VanDerWaalsContact CD1-CE1 3.44Å; I2421-I2457 PolarHBondContact N-O 3.04Å; I2421-V2459 HydrophobicContact CD1-CB 4.36Å; I2421-V2459 HydrophobicContact CD1-CG2 3.6Å; I2421-V2459 HydrophobicContact CG1-CG2 3.84Å; I2421-I2497 HydrophobicContact CD1-CD1 3.71Å; I2421-I2497 HydrophobicContact CD1-CG1 4.49Å
2422L90.5Very high87.2Confident24.25 Ų24.2559.6 Ų59.613%0.12737%0.366CS..EExtended strand (participates in β ladder)trans-160.1179.6-176.962.390.9000112.2Y2407 E2409 V2424 I2457 V2495Y2407-L2422 HydrophobicContact CD1-CD1 4.18Å; Y2407-L2422 HydrophobicContact CG-CD1 4.15Å; E2409-L2422 HydrophobicContact CB-CD2 4.03Å; E2409-L2422 HydrophobicContact CG-CB 4.29Å; E2409-L2422 HydrophobicContact CG-CD2 3.94Å; L2422-V2424 HydrophobicContact CD1-CG1 4Å; L2422-I2457 HydrophobicContact CD1-CB 4.46Å; L2422-I2457 HydrophobicContact CD1-CD1 4.01Å; L2422-I2457 HydrophobicContact CD1-CG1 4.48Å; L2422-I2457 HydrophobicContact CG-CB 4.46Å; L2422-I2457 PolarHBondContact N-O 2.87Å; L2422-I2457 PolarHBondContact O-N 2.98Å; L2422-V2495 HydrophobicContact CD1-CG1 3.95Å; L2422-V2495 HydrophobicContact CD1-CG2 4.37Å; L2422-V2495 HydrophobicContact CD2-CG1 3.68Å; L2422-V2495 VanDerWaalsContact CD2-CG1 3.48Å; L2422-V2495 HydrophobicContact CG-CG1 4.23Å
2423R91.6Very high86.9Confident142.75 Ų142.7559.5 Ų59.554%0.53937%0.371SS..EExtended strand (participates in β ladder)trans-134.6137.6178-172-17596.7-179.62.1111.8Y2407 T2425 T2454 G2455 D2456Y2407-R2423 WeakPolarHBondContact CD1-O 3.41Å; Y2407-R2423 VanDerWaalsContact CE1-O 3.27Å; Y2407-R2423 WeakPolarHBondContact CE1-O 3.39Å; R2423-T2425 VanDerWaalsContact NH2-CG2 3.28Å; R2423-T2454 VanDerWaalsContact CD-O 3.3Å; R2423-T2454 WeakPolarHBondContact CD-O 3.25Å; R2423-T2454 WeakPolarHBondContact CG-O 3.24Å; R2423-T2454 PolarHBondContact NE-O 2.82Å; R2423-T2454 PolarHBondContact NH2-O 2.97Å; R2423-G2455 CarbonylContact C-O 3.27Å; R2423-G2455 VanDerWaalsContact CA-O 3.28Å; R2423-G2455 WeakPolarHBondContact CA-O 3.26Å; R2423-D2456 WeakPolarHBondContact CB-OD1 3.3Å; R2423-D2456 VanDerWaalsContact CD-OD1 3.25Å; R2423-D2456 WeakPolarHBondContact CD-OD1 3.35Å; R2423-D2456 HydrophobicContact CG-CB 4.46Å; R2423-D2456 VanDerWaalsContact CG-OD1 3.25Å; R2423-D2456 WeakPolarHBondContact CG-OD1 3.38Å; R2423-D2456 IonicContact NE-OD1 3.82Å
2424V91.8Very high86.7Confident0 Ų060 Ų600%037%0.372CS..  trans-105.2150.6175.9-54.30000112.8F2402 Y2407 L2422 Y2439 I2450 G2455 I2457 A2475 V2493 V2495F2402-V2424 HydrophobicContact CD1-CB 4.22Å; F2402-V2424 HydrophobicContact CD1-CG2 4.5Å; F2402-V2424 HydrophobicContact CE1-CB 3.97Å; F2402-V2424 HydrophobicContact CE1-CG2 3.87Å; Y2407-V2424 HydrophobicContact CD1-CG1 4.31Å; Y2407-V2424 HydrophobicContact CD2-CB 4.27Å; Y2407-V2424 HydrophobicContact CD2-CG1 3.69Å; Y2407-V2424 VanDerWaalsContact CD2-CG1 3.49Å; Y2407-V2424 HydrophobicContact CE1-CB 4.46Å; Y2407-V2424 HydrophobicContact CE1-CG1 4.35Å; Y2407-V2424 HydrophobicContact CE2-CB 3.92Å; Y2407-V2424 HydrophobicContact CE2-CG1 3.63Å; Y2407-V2424 HydrophobicContact CG-CG1 4.1Å; L2422-V2424 HydrophobicContact CD1-CG1 4Å; V2424-Y2439 HydrophobicContact CG2-CD1 4.26Å; V2424-Y2439 HydrophobicContact CG2-CE1 4.11Å; V2424-I2450 HydrophobicContact CG2-CD1 4.01Å; V2424-G2455 WeakPolarHBondContact CG2-O 3.01Å; V2424-G2455 PolarHBondContact N-O 3.07Å; V2424-G2455 VanDerWaalsContact N-O 3.1Å; V2424-I2457 HydrophobicContact CG1-CD1 4.06Å; V2424-A2475 HydrophobicContact CG1-CB 4.41Å; V2424-A2475 HydrophobicContact CG2-CB 4.15Å; V2424-V2493 HydrophobicContact CB-CG1 4.37Å; V2424-V2493 HydrophobicContact CG1-CG1 4.23Å; V2424-V2495 HydrophobicContact CG1-CG2 4Å
2425T90.5Very high86.6Confident39.75 Ų39.7555.5 Ų55.524%0.24435%0.354CS..  trans-145.9144.6179.831.20000112.4F2402 D2403 Y2407 R2423 Y2439F2402-T2425 CarbonylContact C-O 3.57Å; F2402-T2425 VanDerWaalsContact CA-O 3.31Å; F2402-T2425 WeakPolarHBondContact CA-O 3.28Å; F2402-T2425 WeakPolarHBondContact CB-O 3.48Å; F2402-T2425 VanDerWaalsContact CD1-O 3.25Å; F2402-T2425 WeakPolarHBondContact CD1-O 3.38Å; D2403-T2425 PolarHBondContact N-O 3.18Å; D2403-T2425 WeakPolarHBondContact OD2-CB 3.36Å; D2403-T2425 PolarHBondContact OD2-OG1 3.09Å; Y2407-T2425 PolarHBondContact OH-N 2.98Å; Y2407-T2425 VanDerWaalsContact OH-N 3.11Å; Y2407-T2425 PolarHBondContact OH-O 2.92Å; Y2407-T2425 PolarHBondContact OH-OG1 2.83Å; R2423-T2425 VanDerWaalsContact NH2-CG2 3.28Å; T2425-Y2439 WeakPolarHBondContact CA-OH 3.25Å
2426A89.7Confident86.4Confident12.25 Ų12.2558.1 Ų58.110%0.10137%0.368CS..EExtended strand (participates in β ladder)trans-141.3160.9-179.100000114.1P2400 I2401 F2402 I2437 Y2439 A2477P2400-A2426 HydrophobicContact CB-CB 4.37Å; I2401-A2426 CarbonylContact O-C 3.52Å; I2401-A2426 WeakPolarHBondContact O-CA 3.31Å; I2401-A2426 VanDerWaalsContact O-CB 3.29Å; I2401-A2426 WeakPolarHBondContact O-CB 3.29Å; F2402-A2426 HydrophobicContact CB-CB 4.31Å; F2402-A2426 HydrophobicContact CD1-CB 3.9Å; F2402-A2426 HydrophobicContact CD2-CB 4.18Å; F2402-A2426 HydrophobicContact CE1-CB 4.22Å; F2402-A2426 HydrophobicContact CG-CB 4.05Å; A2426-I2437 HydrophobicContact CB-CD1 4.17Å; A2426-I2437 HydrophobicContact CB-CG2 4.39Å; A2426-I2437 VanDerWaalsContact O-CD1 3.27Å; A2426-I2437 WeakPolarHBondContact O-CD1 3.33Å; A2426-Y2439 HydrophobicContact CB-CE1 4.02Å; A2426-Y2439 PolarHBondContact N-OH 3Å; A2426-Y2439 PolarHBondContact O-OH 3.13Å; A2426-A2477 HydrophobicContact CB-CB 3.91Å
2427T87.4Confident86.7Confident87.5 Ų87.556.8 Ų56.854%0.53735%0.351SS..EExtended strand (participates in β ladder)trans-138.2145.3179.455.80000112P2400 I2401 I2437P2400-T2427 CarbonylContact C-O 3.57Å; P2400-T2427 WeakPolarHBondContact CA-O 3.46Å; I2401-T2427 WeakPolarHBondContact CA-O 3.35Å; I2401-T2427 WeakPolarHBondContact CB-O 3.32Å; I2401-T2427 PolarHBondContact N-O 2.93Å; I2401-T2427 PolarHBondContact O-N 2.99Å; I2401-T2427 PolarHBondContact O-OG1 3.04Å; T2427-I2437 VanDerWaalsContact CA-CD1 3.49Å
2428D88.1Confident86.8Confident29 Ų2956.9 Ų56.916%0.15535%0.346CS..  trans-114.9156.7177.4-152.7-56.1000111.2P2400 D2430 A2435 I2437P2400-D2428 VanDerWaalsContact CA-OD2 3.31Å; P2400-D2428 WeakPolarHBondContact CA-OD2 3.36Å; P2400-D2428 HydrophobicContact CB-CB 4.18Å; P2400-D2428 VanDerWaalsContact CD-OD2 3.27Å; P2400-D2428 WeakPolarHBondContact CD-OD2 3.26Å; P2400-D2428 VanDerWaalsContact CG-OD2 3.24Å; P2400-D2428 WeakPolarHBondContact CG-OD2 3.35Å; P2400-D2428 VanDerWaalsContact N-OD2 3.14Å; D2428-D2430 PolarHBondContact OD1-N 3.03Å; D2428-D2430 VanDerWaalsContact OD1-N 3.17Å; D2428-A2435 HydrophobicContact CB-CB 4.06Å; D2428-I2437 HydrophobicContact CB-CD1 4.26Å; D2428-I2437 HydrophobicContact CB-CG1 4.43Å
2429A84.3Confident87.2Confident56.25 Ų56.2555.5 Ų55.547%0.46532%0.324SS..  trans-107.3-23.5-173.800000114.2E2363 N2398E2363-A2429 HydrophobicContact CG-CB 4.35Å; N2398-A2429 HydrophobicContact CB-CB 3.93Å
2430D86.8Confident87.4Confident6.75 Ų6.7554.3 Ų54.34%0.03632%0.318CS..SBendtrans-63.3170.2179.4-67.6-11.6000112.2N2396 D2397 N2398 D2428 F2434 A2435N2396-D2430 VanDerWaalsContact CA-OD2 3.24Å; N2396-D2430 WeakPolarHBondContact CA-OD2 3.42Å; N2396-D2430 PolarHBondContact OD1-OD2 2.89Å; D2397-D2430 PolarHBondContact N-OD1 3.15Å; D2397-D2430 PolarHBondContact N-OD2 2.94Å; N2398-D2430 WeakPolarHBondContact CA-OD2 3.43Å; N2398-D2430 HydrophobicContact CB-CB 4.42Å; N2398-D2430 VanDerWaalsContact CB-CG 3.48Å; N2398-D2430 WeakPolarHBondContact CB-OD1 3.46Å; N2398-D2430 VanDerWaalsContact N-CG 3.34Å; N2398-D2430 PolarHBondContact N-OD1 2.97Å; N2398-D2430 VanDerWaalsContact N-OD1 3.11Å; N2398-D2430 PolarHBondContact N-OD2 3.22Å; N2398-D2430 PolarHBondContact ND2-OD1 3.1Å; D2428-D2430 PolarHBondContact OD1-N 3.03Å; D2428-D2430 VanDerWaalsContact OD1-N 3.17Å; D2430-F2434 HydrophobicContact CB-CB 3.48Å; D2430-F2434 VanDerWaalsContact CB-CB 3.44Å; D2430-F2434 HydrophobicContact CB-CD2 4.38Å; D2430-F2434 HydrophobicContact CB-CG 4.35Å; D2430-A2435 VanDerWaalsContact O-CB 3.28Å; D2430-A2435 WeakPolarHBondContact O-CB 3.37Å
2431S80.2Confident87.4Confident57.5 Ų57.551.3 Ų51.340%0.40230%0.298SS..  trans-97.7150.2-178.6-770000114.7D2394 N2433 F2434 A2435D2394-S2431 WeakPolarHBondContact OD2-CA 3.25Å; D2394-S2431 WeakPolarHBondContact OD2-CB 3.4Å; D2394-S2431 PolarHBondContact OD2-N 2.77Å; S2431-N2433 PolarHBondContact O-N 3.09Å; S2431-F2434 PolarHBondContact O-N 3.01Å; S2431-A2435 PolarHBondContact O-N 2.71Å
2432G81.3Confident87.3Confident66.5 Ų66.554.6 Ų54.669%0.68632%0.32SS*.THydrogen-bonded Turntrans72.7-116169.100000115F2434 A2435G2432-F2434 PolarHBondContact O-N 2.79Å; G2432-A2435 PolarHBondContact O-N 3.43Å
2433N79.7Confident86.9Confident121 Ų12158.2 Ų58.265%0.64734%0.339SS*.THydrogen-bonded Turntrans-81.1-24.4-178.9-830.6000112.9S2431 A2435 L2436 N2480S2431-N2433 PolarHBondContact O-N 3.09Å; N2433-A2435 VanDerWaalsContact C-N 3.29Å; N2433-A2435 PolarHBondContact O-N 3.25Å; N2433-A2435 VanDerWaalsContact O-N 3.17Å; N2433-L2436 WeakPolarHBondContact O-CB 3.43Å; N2433-L2436 PolarHBondContact O-N 2.61Å; N2433-L2436 VanDerWaalsContact O-N 3.16Å; N2433-N2480 WeakPolarHBondContact O-CA 3.36Å
2434F83.4Confident86.3Confident43.25 Ų43.2551.9 Ų51.919%0.1932%0.318CS..THydrogen-bonded Turntrans-65.2-31.4178.1-56.5-33.4000110.4D2394 N2396 D2430 S2431 G2432 L2436 D2479 N2480D2394-F2434 VanDerWaalsContact OD1-CD2 3.23Å; D2394-F2434 WeakPolarHBondContact OD1-CD2 3.17Å; D2394-F2434 WeakPolarHBondContact OD1-CE2 3.32Å; N2396-F2434 HydrophobicContact CB-CB 4.44Å; N2396-F2434 HydrophobicContact CB-CD1 3.91Å; N2396-F2434 HydrophobicContact CB-CD2 4.03Å; N2396-F2434 HydrophobicContact CB-CE1 4.07Å; N2396-F2434 HydrophobicContact CB-CE2 4Å; N2396-F2434 HydrophobicContact CB-CG 3.91Å; N2396-F2434 HydrophobicContact CB-CZ 4.04Å; N2396-F2434 VanDerWaalsContact CG-CG 3.41Å; N2396-F2434 WeakPolarHBondContact ND2-CB 3.04Å; N2396-F2434 VanDerWaalsContact ND2-CD1 3.32Å; N2396-F2434 WeakPolarHBondContact ND2-CD1 3.26Å; N2396-F2434 WeakPolarHBondContact ND2-CG 3.46Å; N2396-F2434 WeakPolarHBondContact OD1-CB 3.03Å; N2396-F2434 WeakPolarHBondContact OD1-CG 3.46Å; D2430-F2434 HydrophobicContact CB-CB 3.48Å; D2430-F2434 VanDerWaalsContact CB-CB 3.44Å; D2430-F2434 HydrophobicContact CB-CD2 4.38Å; D2430-F2434 HydrophobicContact CB-CG 4.35Å; S2431-F2434 PolarHBondContact O-N 3.01Å; G2432-F2434 PolarHBondContact O-N 2.79Å; F2434-L2436 PolarHBondContact O-N 2.87Å; F2434-D2479 VanDerWaalsContact O-CB 3.3Å; F2434-D2479 WeakPolarHBondContact O-CB 3.38Å; F2434-N2480 HydrophobicContact CD1-CB 4.31Å; F2434-N2480 PolarHBondContact O-N 2.78Å
2435A82.7Confident85.8Confident40 Ų4055.6 Ų55.633%0.33134%0.336SS..THydrogen-bonded Turntrans-74.59.5179.200000118.6D2428 D2430 S2431 G2432 N2433D2428-A2435 HydrophobicContact CB-CB 4.06Å; D2430-A2435 VanDerWaalsContact O-CB 3.28Å; D2430-A2435 WeakPolarHBondContact O-CB 3.37Å; S2431-A2435 PolarHBondContact O-N 2.71Å; G2432-A2435 PolarHBondContact O-N 3.43Å; N2433-A2435 VanDerWaalsContact C-N 3.29Å; N2433-A2435 PolarHBondContact O-N 3.25Å; N2433-A2435 VanDerWaalsContact O-N 3.17Å
2436L85.7Confident85.4Confident99.5 Ų99.555.8 Ų55.852%0.52135%0.345SS..  trans-110.1125.8-170.2-153.1114.1000112.9N2433 F2434 D2479 N2480 P2481N2433-L2436 WeakPolarHBondContact O-CB 3.43Å; N2433-L2436 PolarHBondContact O-N 2.61Å; N2433-L2436 VanDerWaalsContact O-N 3.16Å; F2434-L2436 PolarHBondContact O-N 2.87Å; L2436-D2479 CarbonylContact O-C 3.51Å; L2436-D2479 VanDerWaalsContact O-C 3.27Å; L2436-D2479 VanDerWaalsContact O-CA 3.26Å; L2436-D2479 WeakPolarHBondContact O-CA 3.38Å; L2436-N2480 PolarHBondContact O-N 2.98Å; L2436-N2480 VanDerWaalsContact O-N 3.13Å; L2436-P2481 HydrophobicContact CB-CG 4.25Å; L2436-P2481 HydrophobicContact CD2-CG 3.53Å; L2436-P2481 VanDerWaalsContact CD2-CG 3.45Å; L2436-P2481 HydrophobicContact CG-CG 3.79Å; L2436-P2481 VanDerWaalsContact O-CD 3.24Å; L2436-P2481 WeakPolarHBondContact O-CD 3.36Å
2437I88.8Confident85.4Confident40 Ų4057.3 Ų57.321%0.20535%0.35CS..  trans-111.4140.3-164.1-57.8170000115.3P2400 A2426 T2427 D2428 Y2439 A2477 K2478P2400-I2437 HydrophobicContact CB-CD1 4.04Å; P2400-I2437 HydrophobicContact CB-CG1 4.19Å; P2400-I2437 HydrophobicContact CB-CG2 4.41Å; P2400-I2437 HydrophobicContact CG-CG1 4.47Å; A2426-I2437 HydrophobicContact CB-CD1 4.17Å; A2426-I2437 HydrophobicContact CB-CG2 4.39Å; A2426-I2437 VanDerWaalsContact O-CD1 3.27Å; A2426-I2437 WeakPolarHBondContact O-CD1 3.33Å; T2427-I2437 VanDerWaalsContact CA-CD1 3.49Å; D2428-I2437 HydrophobicContact CB-CD1 4.26Å; D2428-I2437 HydrophobicContact CB-CG1 4.43Å; I2437-Y2439 HydrophobicContact CG2-CD1 4.36Å; I2437-Y2439 HydrophobicContact CG2-CD2 4.31Å; I2437-Y2439 HydrophobicContact CG2-CE1 4.17Å; I2437-Y2439 HydrophobicContact CG2-CE2 4.16Å; I2437-A2477 HydrophobicContact CG2-CB 3.83Å; I2437-K2478 CarbonylContact C-O 3.48Å; I2437-K2478 VanDerWaalsContact CA-O 3.26Å; I2437-K2478 WeakPolarHBondContact CA-O 3.32Å
2438E89.9Confident85.6Confident87.25 Ų87.2553.5 Ų53.541%0.40833%0.326SS..EExtended strand (participates in β ladder)trans-124134.4171.7179178.2-140.400112P2452 A2477 K2478 P2481 R2488E2438-P2452 HydrophobicContact CG-CB 4.21Å; E2438-A2477 CarbonylContact O-C 3.18Å; E2438-A2477 VanDerWaalsContact O-CA 3.29Å; E2438-A2477 WeakPolarHBondContact O-CA 3.39Å; E2438-K2478 PolarHBondContact N-O 3.19Å; E2438-K2478 PolarHBondContact O-N 3.13Å; E2438-P2481 HydrophobicContact CB-CB 4.26Å; E2438-R2488 IonicContact OE2-CZ 2.93Å; E2438-R2488 IonicContact OE2-NH1 3.13Å; E2438-R2488 PolarHBondContact OE2-NH1 2.73Å; E2438-R2488 IonicContact OE2-NH2 3.54Å; E2438-R2488 PolarHBondContact OE2-NH2 3.09Å
2439Y92.7Very high85.8Confident26 Ų2654 Ų5410%0.10233%0.334CS..EExtended strand (participates in β ladder)trans-101.9147.4-177-58.3-81.4000114.7F2402 V2424 T2425 A2426 I2437 P2452 L2476 A2477F2402-Y2439 HydrophobicContact CD1-CE1 4.2Å; F2402-Y2439 AromaticContact CE1-CD1 3.62Å; F2402-Y2439 HydrophobicContact CE1-CD1 4.08Å; F2402-Y2439 AromaticContact CE1-CE1 3.73Å; F2402-Y2439 HydrophobicContact CE1-CE1 3.9Å; F2402-Y2439 VanDerWaalsContact CE1-CE1 3.46Å; F2402-Y2439 AromaticContact CZ-CD1 3.95Å; F2402-Y2439 HydrophobicContact CZ-CD1 4.27Å; F2402-Y2439 HydrophobicContact CZ-CE1 4.07Å; V2424-Y2439 HydrophobicContact CG2-CD1 4.26Å; V2424-Y2439 HydrophobicContact CG2-CE1 4.11Å; T2425-Y2439 WeakPolarHBondContact CA-OH 3.25Å; A2426-Y2439 HydrophobicContact CB-CE1 4.02Å; A2426-Y2439 PolarHBondContact N-OH 3Å; A2426-Y2439 PolarHBondContact O-OH 3.13Å; I2437-Y2439 HydrophobicContact CG2-CD1 4.36Å; I2437-Y2439 HydrophobicContact CG2-CD2 4.31Å; I2437-Y2439 HydrophobicContact CG2-CE1 4.17Å; I2437-Y2439 HydrophobicContact CG2-CE2 4.16Å; Y2439-P2452 WeakPolarHBondContact CB-O 3.42Å; Y2439-P2452 WeakPolarHBondContact CD2-O 3.31Å; Y2439-P2452 PolarHBondContact N-O 3.18Å; Y2439-P2452 VanDerWaalsContact N-O 3.09Å; Y2439-P2452 VanDerWaalsContact O-CA 3.27Å; Y2439-P2452 WeakPolarHBondContact O-CA 3.28Å; Y2439-P2452 VanDerWaalsContact O-CB 3.23Å; Y2439-P2452 WeakPolarHBondContact O-CB 3.27Å; Y2439-L2476 CarbonylContact C-O 3.49Å; Y2439-L2476 VanDerWaalsContact CA-O 3.29Å; Y2439-L2476 WeakPolarHBondContact CA-O 3.29Å; Y2439-A2477 HydrophobicContact CD1-CB 4.1Å; Y2439-A2477 HydrophobicContact CE1-CB 4.07Å
2440S91.7Very high86.2Confident37 Ų3753.1 Ų53.126%0.25932%0.321SS..EExtended strand (participates in β ladder)trans-153.5169.7172.453.20000113A2475 L2476S2440-A2475 CarbonylContact O-C 3.34Å; S2440-A2475 VanDerWaalsContact O-CA 3.3Å; S2440-A2475 WeakPolarHBondContact O-CA 3.36Å; S2440-L2476 PolarHBondContact N-O 3.02Å; S2440-L2476 PolarHBondContact O-N 2.99Å; S2440-L2476 WeakPolarHBondContact OG-CB 3.34Å
2441L90.2Very high86.4Confident32 Ų3255.9 Ų55.917%0.16834%0.336CS..EExtended strand (participates in β ladder)trans-108.4137.8167.9-85.1172.7000108.1F2448 A2449 I2450 I2457 L2473 T2474 A2475L2441-F2448 HydrophobicContact CD1-CB 4.33Å; L2441-A2449 VanDerWaalsContact CD1-C 3.49Å; L2441-I2450 HydrophobicContact CB-CB 4.41Å; L2441-I2450 HydrophobicContact CB-CG2 3.75Å; L2441-I2450 HydrophobicContact CD1-CB 3.83Å; L2441-I2450 HydrophobicContact CD1-CG2 4.01Å; L2441-I2450 HydrophobicContact CD2-CD1 4.48Å; L2441-I2450 HydrophobicContact CG-CB 3.78Å; L2441-I2450 HydrophobicContact CG-CD1 4.24Å; L2441-I2450 HydrophobicContact CG-CG2 3.62Å; L2441-I2450 VanDerWaalsContact CG-CG2 3.44Å; L2441-I2450 VanDerWaalsContact N-CG2 3.35Å; L2441-I2457 HydrophobicContact CD2-CD1 4.4Å; L2441-L2473 HydrophobicContact CD1-CD1 4.38Å; L2441-L2473 HydrophobicContact CD2-CB 3.96Å; L2441-T2474 WeakPolarHBondContact CA-O 3.49Å; L2441-T2474 WeakPolarHBondContact CD2-O 3.29Å; L2441-A2475 HydrophobicContact CD2-CB 4.16Å
2442V86.4Confident86.8Confident97.75 Ų97.7555.9 Ų55.959%0.59234%0.335SS*.SBendtrans-66.7-51.6175.1177.60000110.4T2474 L2476V2442-T2474 HydrophobicContact CB-CG2 4.39Å; V2442-T2474 HydrophobicContact CG2-CG2 3.68Å; V2442-T2474 PolarHBondContact N-O 2.95Å; V2442-L2476 HydrophobicContact CG2-CB 4.43Å; V2442-L2476 HydrophobicContact CG2-CD1 3.54Å; V2442-L2476 HydrophobicContact CG2-CG 3.87Å
2443D82.2Confident87.1Confident100 Ų10059.2 Ų59.254%0.53534%0.337SS..  trans-146.7143.6167.1-170.88.3000108.8E2445D2443-E2445 VanDerWaalsContact CG-N 3.31Å; D2443-E2445 WeakPolarHBondContact OD1-CA 3.36Å; D2443-E2445 PolarHBondContact OD1-N 3.26Å; D2443-E2445 PolarHBondContact OD2-N 3.36Å
2444G79.3Confident87.6Confident9.75 Ų9.7555.8 Ų55.810%0.10132%0.32CS..  trans-102.75.4170.700000113G2446 K2447 F2448G2444-G2446 PolarHBondContact O-N 3.06Å; G2444-G2446 VanDerWaalsContact O-N 3.09Å; G2444-K2447 CarbonylContact O-C 3.57Å; G2444-K2447 WeakPolarHBondContact O-CA 3.31Å; G2444-K2447 WeakPolarHBondContact O-CB 3.37Å; G2444-K2447 PolarHBondContact O-N 2.96Å; G2444-F2448 WeakPolarHBondContact CA-O 3.33Å; G2444-F2448 WeakPolarHBondContact O-CD2 3.35Å; G2444-F2448 PolarHBondContact O-N 3Å
2445E81Confident87.9Confident77.75 Ų77.7553.8 Ų53.836%0.36331%0.311SS..THydrogen-bonded Turntrans55.319.1-174.7-62-170.5-160.500114.5D2443 K2447 K2468 Y2471D2443-E2445 VanDerWaalsContact CG-N 3.31Å; D2443-E2445 WeakPolarHBondContact OD1-CA 3.36Å; D2443-E2445 PolarHBondContact OD1-N 3.26Å; D2443-E2445 PolarHBondContact OD2-N 3.36Å; E2445-K2447 HydrophobicContact CB-CB 4.4Å; E2445-K2447 HydrophobicContact CB-CG 4.21Å; E2445-K2447 PolarHBondContact O-N 2.86Å; E2445-K2447 VanDerWaalsContact O-N 3.13Å; E2445-K2468 IonicContact OE1-NZ 3.22Å; E2445-K2468 PolarHBondContact OE1-NZ 3.01Å; E2445-K2468 WeakPolarHBondContact OE2-CE 3.29Å; E2445-K2468 IonicContact OE2-NZ 3.08Å; E2445-K2468 PolarHBondContact OE2-NZ 3.07Å; E2445-Y2471 WeakPolarHBondContact OE2-CD1 3.34Å; E2445-Y2471 WeakPolarHBondContact OE2-CE1 3.28Å
2446G83Confident88.3Confident43.75 Ų43.7554.6 Ų54.645%0.45131%0.31SS..THydrogen-bonded Turntrans64.79.6-166.700000113.9G2444 S2461G2444-G2446 PolarHBondContact O-N 3.06Å; G2444-G2446 VanDerWaalsContact O-N 3.09Å; G2446-S2461 PolarHBondContact O-OG 3.04Å; G2446-S2461 VanDerWaalsContact O-OG 3.1Å
2447K88Confident88.7Confident45.5 Ų45.549.8 Ų49.820%0.19829%0.285CS..THydrogen-bonded Turntrans-105.3-22.5-179.6-61.7-68.8172.6-168.30112.5G2444 E2445 V2459 L2460 S2461 S2462 L2463 Y2471G2444-K2447 CarbonylContact O-C 3.57Å; G2444-K2447 WeakPolarHBondContact O-CA 3.31Å; G2444-K2447 WeakPolarHBondContact O-CB 3.37Å; G2444-K2447 PolarHBondContact O-N 2.96Å; E2445-K2447 HydrophobicContact CB-CB 4.4Å; E2445-K2447 HydrophobicContact CB-CG 4.21Å; E2445-K2447 PolarHBondContact O-N 2.86Å; E2445-K2447 VanDerWaalsContact O-N 3.13Å; K2447-V2459 CarbonylContact O-C 3.37Å; K2447-V2459 WeakPolarHBondContact O-CA 3.31Å; K2447-L2460 VanDerWaalsContact C-CB 3.49Å; K2447-L2460 WeakPolarHBondContact O-CA 3.45Å; K2447-L2460 WeakPolarHBondContact O-CB 3.43Å; K2447-L2460 PolarHBondContact O-N 3.02Å; K2447-S2461 WeakPolarHBondContact CD-OG 3.24Å; K2447-S2461 WeakPolarHBondContact CE-OG 3.33Å; K2447-S2461 PolarHBondContact NZ-OG 2.98Å; K2447-S2461 PolarHBondContact O-N 3.26Å; K2447-S2462 WeakPolarHBondContact CE-O 3.4Å; K2447-S2462 PolarHBondContact NZ-O 3.12Å; K2447-L2463 HydrophobicContact CB-CD2 4.29Å; K2447-L2463 HydrophobicContact CD-CD2 4.04Å; K2447-Y2471 HydrophobicContact CB-CE1 4.38Å; K2447-Y2471 HydrophobicContact CD-CE1 4.11Å; K2447-Y2471 HydrophobicContact CG-CD1 4.26Å; K2447-Y2471 HydrophobicContact CG-CE1 3.73Å
2448F92.6Very high88.8Confident7.25 Ų7.2549.6 Ų49.63%0.03229%0.287CS..EExtended strand (participates in β ladder)trans-144.3162.5-175.3-50.1-80.9000114.1I2421 L2441 G2444 I2457 S2458 V2459 L2463 Y2471 L2473 I2497I2421-F2448 HydrophobicContact CD1-CD1 3.5Å; I2421-F2448 VanDerWaalsContact CD1-CD1 3.45Å; I2421-F2448 HydrophobicContact CD1-CE1 3.47Å; I2421-F2448 VanDerWaalsContact CD1-CE1 3.44Å; L2441-F2448 HydrophobicContact CD1-CB 4.33Å; G2444-F2448 WeakPolarHBondContact CA-O 3.33Å; G2444-F2448 WeakPolarHBondContact O-CD2 3.35Å; G2444-F2448 PolarHBondContact O-N 3Å; F2448-I2457 HydrophobicContact CB-CG2 4.42Å; F2448-S2458 CarbonylContact C-O 3.42Å; F2448-S2458 VanDerWaalsContact CA-O 3.27Å; F2448-S2458 WeakPolarHBondContact CA-O 3.32Å; F2448-V2459 HydrophobicContact CD1-CG2 4.45Å; F2448-V2459 HydrophobicContact CE1-CG2 4.2Å; F2448-L2463 HydrophobicContact CE1-CD1 4.34Å; F2448-L2463 HydrophobicContact CE1-CD2 4Å; F2448-L2463 HydrophobicContact CE2-CD2 4.35Å; F2448-L2463 HydrophobicContact CZ-CD1 4.28Å; F2448-L2463 HydrophobicContact CZ-CD2 3.99Å; F2448-Y2471 AromaticContact CE2-CD1 3.83Å; F2448-Y2471 HydrophobicContact CE2-CD1 3.87Å; F2448-Y2471 AromaticContact CE2-CD2 3.81Å; F2448-Y2471 HydrophobicContact CE2-CD2 4.07Å; F2448-Y2471 HydrophobicContact CE2-CE1 4.31Å; F2448-Y2471 HydrophobicContact CE2-CE2 4.36Å; F2448-Y2471 AromaticContact CE2-CG 3.59Å; F2448-Y2471 HydrophobicContact CE2-CG 3.59Å; F2448-Y2471 VanDerWaalsContact CE2-CG 3.49Å; F2448-Y2471 AromaticContact CZ-CD2 3.94Å; F2448-Y2471 HydrophobicContact CZ-CD2 4.06Å; F2448-Y2471 HydrophobicContact CZ-CE2 4.4Å; F2448-Y2471 AromaticContact CZ-CG 3.96Å; F2448-Y2471 HydrophobicContact CZ-CG 4.03Å; F2448-L2473 HydrophobicContact CB-CD1 3.57Å; F2448-L2473 HydrophobicContact CB-CD2 4.28Å; F2448-L2473 HydrophobicContact CB-CG 4.34Å; F2448-L2473 HydrophobicContact CD1-CD1 4.27Å; F2448-L2473 HydrophobicContact CD2-CD1 3.61Å; F2448-L2473 HydrophobicContact CD2-CD2 3.45Å; F2448-L2473 HydrophobicContact CD2-CG 4.06Å; F2448-L2473 HydrophobicContact CE2-CD1 4.37Å; F2448-L2473 HydrophobicContact CE2-CD2 4.01Å; F2448-L2473 HydrophobicContact CG-CD1 3.53Å; F2448-L2473 VanDerWaalsContact CG-CD1 3.46Å; F2448-L2473 HydrophobicContact CG-CD2 4.09Å; F2448-L2473 HydrophobicContact CG-CG 4.37Å; F2448-I2497 HydrophobicContact CD1-CD1 3.69Å; F2448-I2497 VanDerWaalsContact CD1-CD1 3.46Å; F2448-I2497 HydrophobicContact CD2-CD1 4.33Å; F2448-I2497 HydrophobicContact CE1-CD1 3.41Å; F2448-I2497 VanDerWaalsContact CE1-CD1 3.44Å; F2448-I2497 HydrophobicContact CE1-CG1 4.48Å; F2448-I2497 HydrophobicContact CE1-CG2 4.29Å; F2448-I2497 HydrophobicContact CE2-CD1 4.08Å; F2448-I2497 HydrophobicContact CG-CD1 4.15Å; F2448-I2497 HydrophobicContact CZ-CB 4.43Å; F2448-I2497 HydrophobicContact CZ-CD1 3.62Å; F2448-I2497 VanDerWaalsContact CZ-CD1 3.49Å; F2448-I2497 HydrophobicContact CZ-CG2 4.16Å
2449A91Very high88.9Confident39.75 Ų39.7545.8 Ų45.833%0.32927%0.27SS..EExtended strand (participates in β ladder)trans-147.9156.1177.300000112.6L2441 I2457 S2458 L2460L2441-A2449 VanDerWaalsContact CD1-C 3.49Å; A2449-I2457 CarbonylContact O-C 3.51Å; A2449-I2457 VanDerWaalsContact O-CA 3.25Å; A2449-I2457 WeakPolarHBondContact O-CA 3.44Å; A2449-S2458 PolarHBondContact N-O 3.16Å; A2449-S2458 VanDerWaalsContact N-O 3.1Å; A2449-S2458 PolarHBondContact O-N 2.94Å; A2449-S2458 VanDerWaalsContact O-N 3.15Å; A2449-S2458 PolarHBondContact O-OG 3.05Å; A2449-L2460 HydrophobicContact CB-CB 4.32Å; A2449-L2460 HydrophobicContact CB-CD1 4.35Å; A2449-L2460 HydrophobicContact CB-CD2 4.42Å
2450I93.5Very high88.6Confident36.75 Ų36.7549.2 Ų49.219%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-128.1154.7-177.7-163.8167.9000114.2V2424 L2441 D2456 I2457 A2475V2424-I2450 HydrophobicContact CG2-CD1 4.01Å; L2441-I2450 HydrophobicContact CB-CB 4.41Å; L2441-I2450 HydrophobicContact CB-CG2 3.75Å; L2441-I2450 HydrophobicContact CD1-CB 3.83Å; L2441-I2450 HydrophobicContact CD1-CG2 4.01Å; L2441-I2450 HydrophobicContact CD2-CD1 4.48Å; L2441-I2450 HydrophobicContact CG-CB 3.78Å; L2441-I2450 HydrophobicContact CG-CD1 4.24Å; L2441-I2450 HydrophobicContact CG-CG2 3.62Å; L2441-I2450 VanDerWaalsContact CG-CG2 3.44Å; L2441-I2450 VanDerWaalsContact N-CG2 3.35Å; I2450-D2456 CarbonylContact C-O 3.57Å; I2450-D2456 VanDerWaalsContact CA-O 3.23Å; I2450-D2456 WeakPolarHBondContact CA-O 3.4Å; I2450-D2456 WeakPolarHBondContact CG1-O 3.16Å; I2450-I2457 HydrophobicContact CB-CG1 4.16Å; I2450-I2457 HydrophobicContact CD1-CD1 4.13Å; I2450-I2457 HydrophobicContact CD1-CG1 3.82Å; I2450-I2457 HydrophobicContact CG1-CG1 3.81Å; I2450-A2475 HydrophobicContact CD1-CB 4.09Å
2451N90.7Very high88.4Confident65 Ų6549.2 Ų49.235%0.34829%0.289SS..  trans-95123.6171.3-177.7-23.8000112.5N2453 T2454 G2455 D2456N2451-N2453 VanDerWaalsContact C-N 3.34Å; N2451-N2453 PolarHBondContact O-N 3.08Å; N2451-N2453 VanDerWaalsContact O-N 3.12Å; N2451-N2453 PolarHBondContact OD1-N 3.14Å; N2451-N2453 VanDerWaalsContact OD1-N 3.14Å; N2451-T2454 VanDerWaalsContact CB-OG1 3.28Å; N2451-T2454 WeakPolarHBondContact CB-OG1 3.33Å; N2451-T2454 PolarHBondContact ND2-OG1 2.83Å; N2451-T2454 PolarHBondContact O-N 3.42Å; N2451-T2454 PolarHBondContact OD1-N 3.46Å; N2451-G2455 WeakPolarHBondContact O-CA 3.36Å; N2451-G2455 PolarHBondContact O-N 3.21Å; N2451-D2456 HydrophobicContact CB-CB 4.35Å; N2451-D2456 PolarHBondContact N-O 3.3Å; N2451-D2456 VanDerWaalsContact N-O 3.11Å
2452P89.9Confident88.2Confident58.75 Ų58.7551.3 Ų51.338%0.38131%0.307SS..THydrogen-bonded Turntrans-71-18-171.628.6-36.8000115.7E2438 Y2439E2438-P2452 HydrophobicContact CG-CB 4.21Å; Y2439-P2452 WeakPolarHBondContact CB-O 3.42Å; Y2439-P2452 WeakPolarHBondContact CD2-O 3.31Å; Y2439-P2452 PolarHBondContact N-O 3.18Å; Y2439-P2452 VanDerWaalsContact N-O 3.09Å; Y2439-P2452 VanDerWaalsContact O-CA 3.27Å; Y2439-P2452 WeakPolarHBondContact O-CA 3.28Å; Y2439-P2452 VanDerWaalsContact O-CB 3.23Å; Y2439-P2452 WeakPolarHBondContact O-CB 3.27Å
2453N87.2Confident88.2Confident136 Ų13647.5 Ų47.573%0.72728%0.283SS*.THydrogen-bonded Turntrans-102.6-15.2-179.1-65.1-15.5000113.1N2451N2451-N2453 VanDerWaalsContact C-N 3.34Å; N2451-N2453 PolarHBondContact O-N 3.08Å; N2451-N2453 VanDerWaalsContact O-N 3.12Å; N2451-N2453 PolarHBondContact OD1-N 3.14Å; N2451-N2453 VanDerWaalsContact OD1-N 3.14Å
2454T89.1Confident88.4Confident49 Ų4945.2 Ų45.230%0.30127%0.271SS..THydrogen-bonded Turntrans-127.9-20-173.164.80000114.7R2423 N2451 D2456R2423-T2454 VanDerWaalsContact CD-O 3.3Å; R2423-T2454 WeakPolarHBondContact CD-O 3.25Å; R2423-T2454 WeakPolarHBondContact CG-O 3.24Å; R2423-T2454 PolarHBondContact NE-O 2.82Å; R2423-T2454 PolarHBondContact NH2-O 2.97Å; N2451-T2454 VanDerWaalsContact CB-OG1 3.28Å; N2451-T2454 WeakPolarHBondContact CB-OG1 3.33Å; N2451-T2454 PolarHBondContact ND2-OG1 2.83Å; N2451-T2454 PolarHBondContact O-N 3.42Å; N2451-T2454 PolarHBondContact OD1-N 3.46Å; T2454-D2456 VanDerWaalsContact C-N 3.26Å; T2454-D2456 VanDerWaalsContact CB-OD2 3.26Å; T2454-D2456 WeakPolarHBondContact CB-OD2 3.23Å; T2454-D2456 PolarHBondContact O-N 2.97Å; T2454-D2456 PolarHBondContact OG1-N 2.79Å; T2454-D2456 PolarHBondContact OG1-OD2 3.04Å
2455G89.8Confident88.9Confident0 Ų046.2 Ų46.20%027%0.271CS..  trans79.411.3179.600000115.9R2423 V2424 N2451 I2457R2423-G2455 CarbonylContact C-O 3.27Å; R2423-G2455 VanDerWaalsContact CA-O 3.28Å; R2423-G2455 WeakPolarHBondContact CA-O 3.26Å; V2424-G2455 WeakPolarHBondContact CG2-O 3.01Å; V2424-G2455 PolarHBondContact N-O 3.07Å; V2424-G2455 VanDerWaalsContact N-O 3.1Å; N2451-G2455 WeakPolarHBondContact O-CA 3.36Å; N2451-G2455 PolarHBondContact O-N 3.21Å; G2455-I2457 PolarHBondContact O-N 2.79Å
2456D92.7Very high89Confident57 Ų5745.6 Ų45.631%0.30527%0.269SS..EExtended strand (participates in β ladder)trans-74.5130-178.7-56.8-59.2000112.1V2420 R2423 I2450 N2451 T2454V2420-D2456 HydrophobicContact CG1-CB 3.99Å; V2420-D2456 HydrophobicContact CG2-CB 4.49Å; R2423-D2456 WeakPolarHBondContact CB-OD1 3.3Å; R2423-D2456 VanDerWaalsContact CD-OD1 3.25Å; R2423-D2456 WeakPolarHBondContact CD-OD1 3.35Å; R2423-D2456 HydrophobicContact CG-CB 4.46Å; R2423-D2456 VanDerWaalsContact CG-OD1 3.25Å; R2423-D2456 WeakPolarHBondContact CG-OD1 3.38Å; R2423-D2456 IonicContact NE-OD1 3.82Å; I2450-D2456 CarbonylContact C-O 3.57Å; I2450-D2456 VanDerWaalsContact CA-O 3.23Å; I2450-D2456 WeakPolarHBondContact CA-O 3.4Å; I2450-D2456 WeakPolarHBondContact CG1-O 3.16Å; N2451-D2456 HydrophobicContact CB-CB 4.35Å; N2451-D2456 PolarHBondContact N-O 3.3Å; N2451-D2456 VanDerWaalsContact N-O 3.11Å; T2454-D2456 VanDerWaalsContact C-N 3.26Å; T2454-D2456 VanDerWaalsContact CB-OD2 3.26Å; T2454-D2456 WeakPolarHBondContact CB-OD2 3.23Å; T2454-D2456 PolarHBondContact O-N 2.97Å; T2454-D2456 PolarHBondContact OG1-N 2.79Å; T2454-D2456 PolarHBondContact OG1-OD2 3.04Å
2457I92.5Very high89Confident0.5 Ų0.551.4 Ų51.40%0.00328%0.282CS..EExtended strand (participates in β ladder)trans-110.3137.4-177.7-62.5176.7000112V2420 I2421 L2422 V2424 L2441 F2448 A2449 I2450 G2455 L2473 A2475 V2495 I2497V2420-I2457 CarbonylContact C-O 3.51Å; V2420-I2457 WeakPolarHBondContact CA-O 3.41Å; V2420-I2457 WeakPolarHBondContact CG1-O 3.24Å; I2421-I2457 PolarHBondContact N-O 3.04Å; L2422-I2457 HydrophobicContact CD1-CB 4.46Å; L2422-I2457 HydrophobicContact CD1-CD1 4.01Å; L2422-I2457 HydrophobicContact CD1-CG1 4.48Å; L2422-I2457 HydrophobicContact CG-CB 4.46Å; L2422-I2457 PolarHBondContact N-O 2.87Å; L2422-I2457 PolarHBondContact O-N 2.98Å; V2424-I2457 HydrophobicContact CG1-CD1 4.06Å; L2441-I2457 HydrophobicContact CD2-CD1 4.4Å; F2448-I2457 HydrophobicContact CB-CG2 4.42Å; A2449-I2457 CarbonylContact O-C 3.51Å; A2449-I2457 VanDerWaalsContact O-CA 3.25Å; A2449-I2457 WeakPolarHBondContact O-CA 3.44Å; I2450-I2457 HydrophobicContact CB-CG1 4.16Å; I2450-I2457 HydrophobicContact CD1-CD1 4.13Å; I2450-I2457 HydrophobicContact CD1-CG1 3.82Å; I2450-I2457 HydrophobicContact CG1-CG1 3.81Å; G2455-I2457 PolarHBondContact O-N 2.79Å; I2457-L2473 HydrophobicContact CG2-CD1 4.18Å; I2457-A2475 HydrophobicContact CD1-CB 4.49Å; I2457-V2495 HydrophobicContact CD1-CB 4.32Å; I2457-V2495 HydrophobicContact CD1-CG1 4.05Å; I2457-V2495 HydrophobicContact CD1-CG2 3.91Å; I2457-I2497 HydrophobicContact CG2-CD1 4.46Å
2458S91.9Very high88.8Confident35 Ų3552.4 Ų52.425%0.24529%0.286CS..EExtended strand (participates in β ladder)trans-140.8153.2-174.760.80000115.3T2419 F2448 A2449 L2460T2419-S2458 CarbonylContact O-C 3.52Å; T2419-S2458 VanDerWaalsContact O-CA 3.28Å; T2419-S2458 WeakPolarHBondContact O-CA 3.24Å; T2419-S2458 WeakPolarHBondContact O-CB 3.44Å; F2448-S2458 CarbonylContact C-O 3.42Å; F2448-S2458 VanDerWaalsContact CA-O 3.27Å; F2448-S2458 WeakPolarHBondContact CA-O 3.32Å; A2449-S2458 PolarHBondContact N-O 3.16Å; A2449-S2458 VanDerWaalsContact N-O 3.1Å; A2449-S2458 PolarHBondContact O-N 2.94Å; A2449-S2458 VanDerWaalsContact O-N 3.15Å; A2449-S2458 PolarHBondContact O-OG 3.05Å; S2458-L2460 PolarHBondContact O-N 2.88Å
2459V90.9Very high88.3Confident6.75 Ų6.7555.4 Ų55.44%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-72.5131.2178.3-175.60000112.3I2415 V2417 G2418 T2419 I2421 K2447 F2448 S2461I2415-V2459 HydrophobicContact CD1-CG2 4.2Å; I2415-V2459 HydrophobicContact CG1-CG2 4.39Å; I2415-V2459 HydrophobicContact CG2-CG1 4.42Å; I2415-V2459 HydrophobicContact CG2-CG2 3.95Å; V2417-V2459 HydrophobicContact CG2-CG1 4.41Å; G2418-V2459 VanDerWaalsContact CA-O 3.26Å; G2418-V2459 WeakPolarHBondContact CA-O 3.36Å; G2418-V2459 PolarHBondContact N-O 3.05Å; G2418-V2459 VanDerWaalsContact N-O 3.08Å; T2419-V2459 WeakPolarHBondContact O-CG2 3.46Å; T2419-V2459 PolarHBondContact O-N 3.01Å; I2421-V2459 HydrophobicContact CD1-CB 4.36Å; I2421-V2459 HydrophobicContact CD1-CG2 3.6Å; I2421-V2459 HydrophobicContact CG1-CG2 3.84Å; K2447-V2459 CarbonylContact O-C 3.37Å; K2447-V2459 WeakPolarHBondContact O-CA 3.31Å; F2448-V2459 HydrophobicContact CD1-CG2 4.45Å; F2448-V2459 HydrophobicContact CE1-CG2 4.2Å; V2459-S2461 WeakPolarHBondContact CG1-O 3.37Å
2460L88Confident88.2Confident97.5 Ų97.556.8 Ų56.851%0.5130%0.302SS..  trans-110.9-28.9-177.7-168.964.1000114.2V2417 K2447 A2449 S2458V2417-L2460 VanDerWaalsContact CG1-O 3.26Å; V2417-L2460 WeakPolarHBondContact CG1-O 3.35Å; K2447-L2460 VanDerWaalsContact C-CB 3.49Å; K2447-L2460 WeakPolarHBondContact O-CA 3.45Å; K2447-L2460 WeakPolarHBondContact O-CB 3.43Å; K2447-L2460 PolarHBondContact O-N 3.02Å; A2449-L2460 HydrophobicContact CB-CB 4.32Å; A2449-L2460 HydrophobicContact CB-CD1 4.35Å; A2449-L2460 HydrophobicContact CB-CD2 4.42Å; S2458-L2460 PolarHBondContact O-N 2.88Å
2461S87Confident87.9Confident37.25 Ų37.2555.6 Ų55.626%0.2630%0.295SS..SBendtrans-154170.217364.50000113.1G2446 K2447 V2459G2446-S2461 PolarHBondContact O-OG 3.04Å; G2446-S2461 VanDerWaalsContact O-OG 3.1Å; K2447-S2461 WeakPolarHBondContact CD-OG 3.24Å; K2447-S2461 WeakPolarHBondContact CE-OG 3.33Å; K2447-S2461 PolarHBondContact NZ-OG 2.98Å; K2447-S2461 PolarHBondContact O-N 3.26Å; V2459-S2461 WeakPolarHBondContact CG1-O 3.37Å
2462S84.7Confident87.8Confident77.25 Ų77.2556 Ų5654%0.5430%0.296SS..  trans-69.2157.2-172.257.80000114.6K2447K2447-S2462 WeakPolarHBondContact CE-O 3.4Å; K2447-S2462 PolarHBondContact NZ-O 3.12Å
2463L88.2Confident87.8Confident16.25 Ų16.2553.2 Ų53.29%0.08528%0.278CS..  trans-110171.8-174.3-44.8-178000111.6V2411 E2413 I2415 K2447 F2448 Y2471 V2499V2411-L2463 HydrophobicContact CB-CD1 4.46Å; V2411-L2463 HydrophobicContact CG2-CD1 3.52Å; V2411-L2463 VanDerWaalsContact CG2-CD1 3.47Å; E2413-L2463 HydrophobicContact CB-CB 4.08Å; E2413-L2463 CarbonylContact O-C 3.57Å; E2413-L2463 VanDerWaalsContact O-O 3.1Å; I2415-L2463 HydrophobicContact CG2-CD1 3.65Å; I2415-L2463 HydrophobicContact CG2-CG 4.05Å; K2447-L2463 HydrophobicContact CB-CD2 4.29Å; K2447-L2463 HydrophobicContact CD-CD2 4.04Å; F2448-L2463 HydrophobicContact CE1-CD1 4.34Å; F2448-L2463 HydrophobicContact CE1-CD2 4Å; F2448-L2463 HydrophobicContact CE2-CD2 4.35Å; F2448-L2463 HydrophobicContact CZ-CD1 4.28Å; F2448-L2463 HydrophobicContact CZ-CD2 3.99Å; L2463-Y2471 HydrophobicContact CB-CE2 4.24Å; L2463-Y2471 HydrophobicContact CD1-CE2 4.31Å; L2463-Y2471 HydrophobicContact CD2-CD2 4.3Å; L2463-Y2471 HydrophobicContact CD2-CE2 3.76Å; L2463-Y2471 HydrophobicContact CG-CE2 4.22Å; L2463-V2499 HydrophobicContact CB-CG1 4.38Å; L2463-V2499 HydrophobicContact CB-CG2 4.4Å; L2463-V2499 HydrophobicContact CD1-CG2 4.26Å
2464D86.3Confident88Confident52.75 Ų52.7548.4 Ų48.428%0.28225%0.254SS..  trans-167.3109-169.2-178-49.8000108E2413 K2467 K2468E2413-D2464 WeakPolarHBondContact OE2-CA 3.23Å; D2464-K2467 HydrophobicContact CB-CB 4.41Å; D2464-K2467 HydrophobicContact CB-CD 4.49Å; D2464-K2467 VanDerWaalsContact OD1-CB 3.26Å; D2464-K2467 WeakPolarHBondContact OD1-CB 3.22Å; D2464-K2467 VanDerWaalsContact OD1-CD 3.25Å; D2464-K2467 WeakPolarHBondContact OD1-CD 3.33Å; D2464-K2467 WeakPolarHBondContact OD1-CG 3.33Å; D2464-K2467 PolarHBondContact OD1-N 2.82Å; D2464-K2467 VanDerWaalsContact OD1-N 3.14Å; D2464-K2467 IonicContact OD1-NZ 3.2Å; D2464-K2467 PolarHBondContact OD1-NZ 2.91Å; D2464-K2467 VanDerWaalsContact OD2-CB 3.26Å; D2464-K2467 WeakPolarHBondContact OD2-CB 3.24Å; D2464-K2467 WeakPolarHBondContact OD2-CD 3.41Å; D2464-K2467 WeakPolarHBondContact OD2-CE 3.29Å; D2464-K2467 IonicContact OD2-NZ 2.67Å; D2464-K2467 PolarHBondContact OD2-NZ 3.08Å; D2464-K2468 CarbonylContact O-C 3.59Å; D2464-K2468 PolarHBondContact O-N 3.16Å; D2464-K2468 VanDerWaalsContact O-N 3.13Å
2465R88.2Confident88Confident29.5 Ų29.546.1 Ų46.111%0.11124%0.24CC..THydrogen-bonded Turntrans-75.9-41.4-167.4-167.5-150.160.4115.28.2112.7E2413 K2467 K2468 D2469 V2499 L2500 D2501 Q2536 D2537 E2538E2413-R2465 HydrophobicContact CB-CB 4.42Å; E2413-R2465 VanDerWaalsContact OE2-CB 3.28Å; E2413-R2465 WeakPolarHBondContact OE2-CB 3.11Å; E2413-R2465 PolarHBondContact OE2-N 3.05Å; R2465-K2467 VanDerWaalsContact C-N 3.26Å; R2465-K2467 PolarHBondContact O-N 3.09Å; R2465-K2467 VanDerWaalsContact O-N 3.14Å; R2465-K2468 CarbonylContact O-C 3.54Å; R2465-K2468 VanDerWaalsContact O-C 3.26Å; R2465-K2468 PolarHBondContact O-N 3.01Å; R2465-D2469 VanDerWaalsContact CG-CA 3.47Å; R2465-D2469 HydrophobicContact CG-CB 3.77Å; R2465-D2469 WeakPolarHBondContact O-CA 3.33Å; R2465-D2469 WeakPolarHBondContact O-CB 3.26Å; R2465-D2469 PolarHBondContact O-N 3.11Å; R2465-D2469 VanDerWaalsContact O-N 3.11Å; R2465-V2499 HydrophobicContact CB-CB 4.26Å; R2465-V2499 HydrophobicContact CB-CG1 3.98Å; R2465-V2499 HydrophobicContact CG-CB 4.18Å; R2465-V2499 HydrophobicContact CG-CG1 4.22Å; R2465-L2500 WeakPolarHBondContact CB-O 3.5Å; R2465-D2501 IonicContact CZ-OD1 3.16Å; R2465-D2501 VanDerWaalsContact CZ-OD1 3.26Å; R2465-D2501 IonicContact NE-OD1 3.21Å; R2465-D2501 PolarHBondContact NE-OD1 3.02Å; R2465-D2501 VanDerWaalsContact NE-OD1 3.09Å; R2465-D2501 IonicContact NH1-OD1 2.96Å; R2465-D2501 PolarHBondContact NH1-OD1 2.95Å; R2465-D2501 IonicContact NH2-OD1 2.74Å; R2465-D2501 PolarHBondContact NH2-OD1 2.97Å; R2465-Q2536 PolarHBondContact NH2-O 2.78Å; R2465-D2537 VanDerWaalsContact NH2-C 3.31Å; R2465-E2538 IonicContact CZ-OE2 3.37Å; R2465-E2538 IonicContact NH1-OE2 3.37Å; R2465-E2538 PolarHBondContact NH1-OE2 3.2Å
2466E84.9Confident88.1Confident66.25 Ų66.2546.9 Ų46.931%0.3124%0.244SC..THydrogen-bonded Turntrans-64.9-25.2-176.9-68.357.5-11300111.2D2504 Q2536E2466-D2504 VanDerWaalsContact CD-OD1 3.26Å; E2466-D2504 WeakPolarHBondContact CG-OD1 3.39Å; E2466-Q2536 HydrophobicContact CB-CB 4.15Å; E2466-Q2536 HydrophobicContact CG-CB 3.47Å; E2466-Q2536 VanDerWaalsContact CG-CB 3.47Å
2467K82.2Confident88Confident165.25 Ų165.2544.2 Ų44.272%0.71823%0.23SC*.THydrogen-bonded Turntrans-84.4-39.1168.7-90.9171.3-161.387.90113.1D2464 R2465D2464-K2467 HydrophobicContact CB-CB 4.41Å; D2464-K2467 HydrophobicContact CB-CD 4.49Å; D2464-K2467 VanDerWaalsContact OD1-CB 3.26Å; D2464-K2467 WeakPolarHBondContact OD1-CB 3.22Å; D2464-K2467 VanDerWaalsContact OD1-CD 3.25Å; D2464-K2467 WeakPolarHBondContact OD1-CD 3.33Å; D2464-K2467 WeakPolarHBondContact OD1-CG 3.33Å; D2464-K2467 PolarHBondContact OD1-N 2.82Å; D2464-K2467 VanDerWaalsContact OD1-N 3.14Å; D2464-K2467 IonicContact OD1-NZ 3.2Å; D2464-K2467 PolarHBondContact OD1-NZ 2.91Å; D2464-K2467 VanDerWaalsContact OD2-CB 3.26Å; D2464-K2467 WeakPolarHBondContact OD2-CB 3.24Å; D2464-K2467 WeakPolarHBondContact OD2-CD 3.41Å; D2464-K2467 WeakPolarHBondContact OD2-CE 3.29Å; D2464-K2467 IonicContact OD2-NZ 2.67Å; D2464-K2467 PolarHBondContact OD2-NZ 3.08Å; R2465-K2467 VanDerWaalsContact C-N 3.26Å; R2465-K2467 PolarHBondContact O-N 3.09Å; R2465-K2467 VanDerWaalsContact O-N 3.14Å
2468K83Confident87.9Confident67.5 Ų67.546.6 Ų46.629%0.29324%0.24SC..  trans-159.499.7-178-166154.7-179.8177.90112.3E2445 D2464 R2465 H2470 Y2471 V2499E2445-K2468 IonicContact OE1-NZ 3.22Å; E2445-K2468 PolarHBondContact OE1-NZ 3.01Å; E2445-K2468 WeakPolarHBondContact OE2-CE 3.29Å; E2445-K2468 IonicContact OE2-NZ 3.08Å; E2445-K2468 PolarHBondContact OE2-NZ 3.07Å; D2464-K2468 CarbonylContact O-C 3.59Å; D2464-K2468 PolarHBondContact O-N 3.16Å; D2464-K2468 VanDerWaalsContact O-N 3.13Å; R2465-K2468 CarbonylContact O-C 3.54Å; R2465-K2468 VanDerWaalsContact O-C 3.26Å; R2465-K2468 PolarHBondContact O-N 3.01Å; K2468-H2470 VanDerWaalsContact C-N 3.32Å; K2468-H2470 WeakPolarHBondContact CE-O 3.3Å; K2468-H2470 WeakPolarHBondContact CG-O 3.25Å; K2468-H2470 PolarHBondContact O-N 2.92Å; K2468-Y2471 HydrophobicContact CB-CE1 4.39Å; K2468-Y2471 HydrophobicContact CB-CE2 4.19Å; K2468-Y2471 HydrophobicContact CD-CD1 4.04Å; K2468-Y2471 HydrophobicContact CD-CE1 3.81Å; K2468-Y2471 HydrophobicContact CG-CD1 4.27Å; K2468-Y2471 HydrophobicContact CG-CD2 4.37Å; K2468-Y2471 HydrophobicContact CG-CE1 4.1Å; K2468-Y2471 HydrophobicContact CG-CE2 4.31Å; K2468-Y2471 HydrophobicContact CG-CG 4.48Å; K2468-V2499 WeakPolarHBondContact O-CG2 3.38Å
2469D83Confident87.7Confident70 Ų7045 Ų4537%0.37423%0.229SC..SBendtrans-71.5-14.7-179.372.2-37.4000114.3R2465 V2499R2465-D2469 VanDerWaalsContact CG-CA 3.47Å; R2465-D2469 HydrophobicContact CG-CB 3.77Å; R2465-D2469 WeakPolarHBondContact O-CA 3.33Å; R2465-D2469 WeakPolarHBondContact O-CB 3.26Å; R2465-D2469 PolarHBondContact O-N 3.11Å; R2465-D2469 VanDerWaalsContact O-N 3.11Å; D2469-V2499 WeakPolarHBondContact O-CA 3.32Å; D2469-V2499 VanDerWaalsContact O-CB 3.25Å; D2469-V2499 WeakPolarHBondContact O-CB 3.39Å; D2469-V2499 PolarHBondContact O-N 3.07Å
2470H88.4Confident87.5Confident68.25 Ų68.2545.1 Ų45.132%0.31623%0.229SC..EExtended strand (participates in β ladder)trans-154.8147174.367.5-67.3000112.7K2468 I2472 V2496 I2497K2468-H2470 VanDerWaalsContact C-N 3.32Å; K2468-H2470 WeakPolarHBondContact CE-O 3.3Å; K2468-H2470 WeakPolarHBondContact CG-O 3.25Å; K2468-H2470 PolarHBondContact O-N 2.92Å; H2470-I2472 VanDerWaalsContact CD2-CG1 3.45Å; H2470-I2472 WeakPolarHBondContact CD2-CG1 3.05Å; H2470-I2472 WeakPolarHBondContact NE2-CD1 3.29Å; H2470-V2496 HydrophobicContact CB-CG1 4.36Å; H2470-I2497 CarbonylContact C-O 3.53Å; H2470-I2497 VanDerWaalsContact CA-O 3.24Å; H2470-I2497 WeakPolarHBondContact CA-O 3.33Å
2471Y88.3Confident87Confident11.25 Ų11.2543.3 Ų43.34%0.04422%0.223CC..EExtended strand (participates in β ladder)trans-108.3134.3171.8-63.7-92.5000109.8E2445 K2447 F2448 L2463 K2468 V2496 I2497 V2499E2445-Y2471 WeakPolarHBondContact OE2-CD1 3.34Å; E2445-Y2471 WeakPolarHBondContact OE2-CE1 3.28Å; K2447-Y2471 HydrophobicContact CB-CE1 4.38Å; K2447-Y2471 HydrophobicContact CD-CE1 4.11Å; K2447-Y2471 HydrophobicContact CG-CD1 4.26Å; K2447-Y2471 HydrophobicContact CG-CE1 3.73Å; F2448-Y2471 AromaticContact CE2-CD1 3.83Å; F2448-Y2471 HydrophobicContact CE2-CD1 3.87Å; F2448-Y2471 AromaticContact CE2-CD2 3.81Å; F2448-Y2471 HydrophobicContact CE2-CD2 4.07Å; F2448-Y2471 HydrophobicContact CE2-CE1 4.31Å; F2448-Y2471 HydrophobicContact CE2-CE2 4.36Å; F2448-Y2471 AromaticContact CE2-CG 3.59Å; F2448-Y2471 HydrophobicContact CE2-CG 3.59Å; F2448-Y2471 VanDerWaalsContact CE2-CG 3.49Å; F2448-Y2471 AromaticContact CZ-CD2 3.94Å; F2448-Y2471 HydrophobicContact CZ-CD2 4.06Å; F2448-Y2471 HydrophobicContact CZ-CE2 4.4Å; F2448-Y2471 AromaticContact CZ-CG 3.96Å; F2448-Y2471 HydrophobicContact CZ-CG 4.03Å; L2463-Y2471 HydrophobicContact CB-CE2 4.24Å; L2463-Y2471 HydrophobicContact CD1-CE2 4.31Å; L2463-Y2471 HydrophobicContact CD2-CD2 4.3Å; L2463-Y2471 HydrophobicContact CD2-CE2 3.76Å; L2463-Y2471 HydrophobicContact CG-CE2 4.22Å; K2468-Y2471 HydrophobicContact CB-CE1 4.39Å; K2468-Y2471 HydrophobicContact CB-CE2 4.19Å; K2468-Y2471 HydrophobicContact CD-CD1 4.04Å; K2468-Y2471 HydrophobicContact CD-CE1 3.81Å; K2468-Y2471 HydrophobicContact CG-CD1 4.27Å; K2468-Y2471 HydrophobicContact CG-CD2 4.37Å; K2468-Y2471 HydrophobicContact CG-CE1 4.1Å; K2468-Y2471 HydrophobicContact CG-CE2 4.31Å; K2468-Y2471 HydrophobicContact CG-CG 4.48Å; Y2471-V2496 CarbonylContact O-C 3.47Å; Y2471-V2496 WeakPolarHBondContact O-CA 3.17Å; Y2471-I2497 PolarHBondContact N-O 3.06Å; Y2471-I2497 PolarHBondContact O-N 2.84Å; Y2471-V2499 HydrophobicContact CD2-CG2 3.98Å; Y2471-V2499 HydrophobicContact CE2-CG2 3.8Å
2472I88.4Confident86.5Confident73.5 Ų73.545.3 Ų45.338%0.37725%0.249SC..EExtended strand (participates in β ladder)trans-115.3102.3177.4-58-178.5000107H2470 Q2494 V2496H2470-I2472 VanDerWaalsContact CD2-CG1 3.45Å; H2470-I2472 WeakPolarHBondContact CD2-CG1 3.05Å; H2470-I2472 WeakPolarHBondContact NE2-CD1 3.29Å; I2472-Q2494 HydrophobicContact CG2-CB 4.12Å; I2472-Q2494 VanDerWaalsContact CG2-CD 3.49Å; I2472-Q2494 HydrophobicContact CG2-CG 4.02Å; I2472-Q2494 VanDerWaalsContact CG2-OE1 3.25Å; I2472-V2496 HydrophobicContact CG1-CG2 4.45Å
2473L89.5Confident86Confident0.75 Ų0.7544.7 Ų44.70%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-95.8142.6177.7-40.6176.2000109.4L2441 F2448 I2457 Q2494 V2495 I2497L2441-L2473 HydrophobicContact CD1-CD1 4.38Å; L2441-L2473 HydrophobicContact CD2-CB 3.96Å; F2448-L2473 HydrophobicContact CB-CD1 3.57Å; F2448-L2473 HydrophobicContact CB-CD2 4.28Å; F2448-L2473 HydrophobicContact CB-CG 4.34Å; F2448-L2473 HydrophobicContact CD1-CD1 4.27Å; F2448-L2473 HydrophobicContact CD2-CD1 3.61Å; F2448-L2473 HydrophobicContact CD2-CD2 3.45Å; F2448-L2473 HydrophobicContact CD2-CG 4.06Å; F2448-L2473 HydrophobicContact CE2-CD1 4.37Å; F2448-L2473 HydrophobicContact CE2-CD2 4.01Å; F2448-L2473 HydrophobicContact CG-CD1 3.53Å; F2448-L2473 VanDerWaalsContact CG-CD1 3.46Å; F2448-L2473 HydrophobicContact CG-CD2 4.09Å; F2448-L2473 HydrophobicContact CG-CG 4.37Å; I2457-L2473 HydrophobicContact CG2-CD1 4.18Å; L2473-Q2494 CarbonylContact O-C 3.32Å; L2473-Q2494 WeakPolarHBondContact O-CA 3.37Å; L2473-Q2494 PolarHBondContact O-OE1 2.81Å; L2473-V2495 HydrophobicContact CB-CB 4.19Å; L2473-V2495 HydrophobicContact CD1-CG1 4.43Å; L2473-V2495 PolarHBondContact N-O 3.01Å; L2473-V2495 WeakPolarHBondContact O-CB 3.38Å; L2473-V2495 PolarHBondContact O-N 3.04Å; L2473-I2497 HydrophobicContact CD1-CD1 3.66Å; L2473-I2497 HydrophobicContact CG-CD1 4.29Å
2474T90.4Very high85.4Confident35.25 Ų35.2547.9 Ų47.922%0.21626%0.26CS..EExtended strand (participates in β ladder)trans-107.2106.7175.7-57.70000109L2441 V2442 S2492 V2493 Q2494L2441-T2474 WeakPolarHBondContact CA-O 3.49Å; L2441-T2474 WeakPolarHBondContact CD2-O 3.29Å; V2442-T2474 HydrophobicContact CB-CG2 4.39Å; V2442-T2474 HydrophobicContact CG2-CG2 3.68Å; V2442-T2474 PolarHBondContact N-O 2.95Å; T2474-S2492 WeakPolarHBondContact CG2-OG 3.41Å; T2474-V2493 WeakPolarHBondContact CA-O 3.48Å; T2474-Q2494 PolarHBondContact OG1-NE2 3.14Å; T2474-Q2494 PolarHBondContact OG1-OE1 2.94Å; T2474-Q2494 VanDerWaalsContact OG1-OE1 3.06Å
2475A90.7Very high84.6Confident0.25 Ų0.2549.5 Ų49.50%0.00228%0.281CS..EExtended strand (participates in β ladder)trans-88.5136.8172.600000109.6V2424 S2440 L2441 I2450 I2457 S2492 V2493 V2495V2424-A2475 HydrophobicContact CG1-CB 4.41Å; V2424-A2475 HydrophobicContact CG2-CB 4.15Å; S2440-A2475 CarbonylContact O-C 3.34Å; S2440-A2475 VanDerWaalsContact O-CA 3.3Å; S2440-A2475 WeakPolarHBondContact O-CA 3.36Å; L2441-A2475 HydrophobicContact CD2-CB 4.16Å; I2450-A2475 HydrophobicContact CD1-CB 4.09Å; I2457-A2475 HydrophobicContact CD1-CB 4.49Å; A2475-S2492 CarbonylContact O-C 3.37Å; A2475-S2492 VanDerWaalsContact O-CA 3.31Å; A2475-S2492 WeakPolarHBondContact O-CA 3.37Å; A2475-S2492 VanDerWaalsContact O-CB 3.28Å; A2475-S2492 WeakPolarHBondContact O-CB 3.44Å; A2475-V2493 HydrophobicContact CB-CG1 3.93Å; A2475-V2493 PolarHBondContact N-O 2.83Å; A2475-V2493 PolarHBondContact O-N 2.9Å; A2475-V2495 HydrophobicContact CB-CG2 4.21Å
2476L91.4Very high83.9Confident17 Ų1752.8 Ų52.89%0.08931%0.308CS..EExtended strand (participates in β ladder)trans-115.4136.8-174.1-125.5119.5000109.9Y2439 S2440 V2442 K2478 E2490 N2491Y2439-L2476 CarbonylContact C-O 3.49Å; Y2439-L2476 VanDerWaalsContact CA-O 3.29Å; Y2439-L2476 WeakPolarHBondContact CA-O 3.29Å; S2440-L2476 PolarHBondContact N-O 3.02Å; S2440-L2476 PolarHBondContact O-N 2.99Å; S2440-L2476 WeakPolarHBondContact OG-CB 3.34Å; V2442-L2476 HydrophobicContact CG2-CB 4.43Å; V2442-L2476 HydrophobicContact CG2-CD1 3.54Å; V2442-L2476 HydrophobicContact CG2-CG 3.87Å; L2476-K2478 HydrophobicContact CB-CG 4.47Å; L2476-K2478 HydrophobicContact CD2-CD 4.33Å; L2476-K2478 VanDerWaalsContact CD2-CE 3.4Å; L2476-K2478 HydrophobicContact CD2-CG 4.41Å; L2476-K2478 VanDerWaalsContact CD2-NZ 3.3Å; L2476-K2478 HydrophobicContact CG-CG 4.25Å; L2476-E2490 HydrophobicContact CD1-CB 4.12Å; L2476-E2490 HydrophobicContact CD1-CG 4.18Å; L2476-E2490 HydrophobicContact CD2-CB 4.28Å; L2476-E2490 HydrophobicContact CD2-CG 4.31Å; L2476-E2490 WeakPolarHBondContact CD2-OE1 3.49Å; L2476-E2490 HydrophobicContact CG-CB 4.28Å; L2476-N2491 CarbonylContact C-O 3.48Å; L2476-N2491 WeakPolarHBondContact CA-O 3.27Å; L2476-N2491 WeakPolarHBondContact CD1-O 3.23Å
2477A90.4Very high83.6Confident0 Ų052.2 Ų52.20%031%0.307CS..EExtended strand (participates in β ladder)trans-116.2128.5167.500000108.3P2400 F2402 A2426 I2437 E2438 Y2439 E2490 N2491P2400-A2477 HydrophobicContact CB-CB 4.1Å; P2400-A2477 HydrophobicContact CG-CB 4.36Å; P2400-A2477 WeakPolarHBondContact CG-O 3.24Å; F2402-A2477 HydrophobicContact CD2-CB 4.26Å; F2402-A2477 HydrophobicContact CE1-CB 4.13Å; F2402-A2477 HydrophobicContact CE2-CB 3.64Å; F2402-A2477 HydrophobicContact CZ-CB 3.44Å; F2402-A2477 VanDerWaalsContact CZ-CB 3.46Å; A2426-A2477 HydrophobicContact CB-CB 3.91Å; I2437-A2477 HydrophobicContact CG2-CB 3.83Å; E2438-A2477 CarbonylContact O-C 3.18Å; E2438-A2477 VanDerWaalsContact O-CA 3.29Å; E2438-A2477 WeakPolarHBondContact O-CA 3.39Å; Y2439-A2477 HydrophobicContact CD1-CB 4.1Å; Y2439-A2477 HydrophobicContact CE1-CB 4.07Å; A2477-E2490 CarbonylContact O-C 3.54Å; A2477-E2490 VanDerWaalsContact O-CA 3.27Å; A2477-E2490 WeakPolarHBondContact O-CA 3.43Å; A2477-E2490 WeakPolarHBondContact O-CB 3.41Å; A2477-N2491 PolarHBondContact N-O 3.03Å; A2477-N2491 PolarHBondContact O-N 2.92Å; A2477-N2491 VanDerWaalsContact O-O 3.1Å
2478K89.2Confident83.5Confident52 Ų5247.5 Ų47.523%0.22629%0.285CS..EExtended strand (participates in β ladder)trans-121.4135.6-179.1-56.4-171.7-178.6-160.50110.6I2437 E2438 L2476 R2489 E2490I2437-K2478 CarbonylContact C-O 3.48Å; I2437-K2478 VanDerWaalsContact CA-O 3.26Å; I2437-K2478 WeakPolarHBondContact CA-O 3.32Å; E2438-K2478 PolarHBondContact N-O 3.19Å; E2438-K2478 PolarHBondContact O-N 3.13Å; L2476-K2478 HydrophobicContact CB-CG 4.47Å; L2476-K2478 HydrophobicContact CD2-CD 4.33Å; L2476-K2478 VanDerWaalsContact CD2-CE 3.4Å; L2476-K2478 HydrophobicContact CD2-CG 4.41Å; L2476-K2478 VanDerWaalsContact CD2-NZ 3.3Å; L2476-K2478 HydrophobicContact CG-CG 4.25Å; K2478-R2489 WeakPolarHBondContact CA-O 3.38Å; K2478-E2490 HydrophobicContact CB-CB 4.39Å; K2478-E2490 HydrophobicContact CD-CB 4.31Å; K2478-E2490 WeakPolarHBondContact CD-OE2 3.36Å; K2478-E2490 VanDerWaalsContact CE-OE2 3.24Å; K2478-E2490 WeakPolarHBondContact CE-OE2 3.27Å; K2478-E2490 HydrophobicContact CG-CB 3.78Å; K2478-E2490 WeakPolarHBondContact CG-OE2 3.33Å; K2478-E2490 VanDerWaalsContact NZ-CD 3.32Å; K2478-E2490 IonicContact NZ-OE1 3.53Å; K2478-E2490 PolarHBondContact NZ-OE1 3.41Å; K2478-E2490 IonicContact NZ-OE2 3.05Å; K2478-E2490 PolarHBondContact NZ-OE2 3.02Å
2479D89Confident83.5Confident0 Ų048.1 Ų48.10%029%0.285CS..  trans-80.5-173.9175.372.413.1000112.7N2396 P2400 F2434 L2436 P2481 R2488 R2489N2396-D2479 PolarHBondContact ND2-OD1 2.57Å; N2396-D2479 PolarHBondContact ND2-OD2 2.77Å; N2396-D2479 PolarHBondContact OD1-OD2 3.1Å; P2400-D2479 WeakPolarHBondContact CD-OD2 3.2Å; P2400-D2479 HydrophobicContact CG-CB 3.99Å; F2434-D2479 VanDerWaalsContact O-CB 3.3Å; F2434-D2479 WeakPolarHBondContact O-CB 3.38Å; L2436-D2479 CarbonylContact O-C 3.51Å; L2436-D2479 VanDerWaalsContact O-C 3.27Å; L2436-D2479 VanDerWaalsContact O-CA 3.26Å; L2436-D2479 WeakPolarHBondContact O-CA 3.38Å; D2479-P2481 VanDerWaalsContact C-CD 3.47Å; D2479-P2481 WeakPolarHBondContact O-CD 3.36Å; D2479-R2488 WeakPolarHBondContact O-CD 3.16Å; D2479-R2488 VanDerWaalsContact O-CG 3.32Å; D2479-R2488 WeakPolarHBondContact O-CG 3.48Å; D2479-R2488 VanDerWaalsContact O-CZ 3.24Å; D2479-R2488 PolarHBondContact O-NE 3.03Å; D2479-R2488 PolarHBondContact O-NH2 3.37Å; D2479-R2488 VanDerWaalsContact OD1-C 3.29Å; D2479-R2488 WeakPolarHBondContact OD1-CA 3.2Å; D2479-R2488 VanDerWaalsContact OD1-CB 3.22Å; D2479-R2488 WeakPolarHBondContact OD1-CB 3.36Å; D2479-R2488 WeakPolarHBondContact OD1-CG 3.06Å; D2479-R2489 VanDerWaalsContact CG-N 3.26Å; D2479-R2489 VanDerWaalsContact CG-O 3.28Å; D2479-R2489 PolarHBondContact N-O 3.23Å; D2479-R2489 VanDerWaalsContact N-O 3.1Å; D2479-R2489 PolarHBondContact OD1-N 3.07Å; D2479-R2489 WeakPolarHBondContact OD2-CA 3.27Å; D2479-R2489 VanDerWaalsContact OD2-CB 3.31Å; D2479-R2489 WeakPolarHBondContact OD2-CB 3.3Å; D2479-R2489 PolarHBondContact OD2-N 2.92Å
2480N85.6Confident83.7Confident10 Ų1049.2 Ų49.25%0.05329%0.289CS..SBendtrans37.456.6165.5-166.517.2000115.4N2433 F2434 L2436 G2482 D2483 N2487 R2488N2433-N2480 WeakPolarHBondContact O-CA 3.36Å; F2434-N2480 HydrophobicContact CD1-CB 4.31Å; F2434-N2480 PolarHBondContact O-N 2.78Å; L2436-N2480 PolarHBondContact O-N 2.98Å; L2436-N2480 VanDerWaalsContact O-N 3.13Å; N2480-G2482 PolarHBondContact O-N 3.11Å; N2480-G2482 VanDerWaalsContact O-N 3.1Å; N2480-D2483 VanDerWaalsContact ND2-CB 3.27Å; N2480-D2483 WeakPolarHBondContact ND2-CB 3.37Å; N2480-D2483 PolarHBondContact ND2-OD2 3.02Å; N2480-D2483 PolarHBondContact O-N 3.03Å; N2480-N2487 PolarHBondContact ND2-ND2 2.88Å; N2480-N2487 PolarHBondContact ND2-O 3.13Å; N2480-R2488 HydrophobicContact CB-CG 4.26Å; N2480-R2488 WeakPolarHBondContact O-CD 3.44Å; N2480-R2488 PolarHBondContact O-NE 2.92Å
2481P78.4Confident83.7Confident58.75 Ų58.7548.4 Ų48.438%0.38129%0.287SS..THydrogen-bonded Turntrans-70.3114.7-169.927-35.6000111.8L2436 E2438 D2479L2436-P2481 HydrophobicContact CB-CG 4.25Å; L2436-P2481 HydrophobicContact CD2-CG 3.53Å; L2436-P2481 VanDerWaalsContact CD2-CG 3.45Å; L2436-P2481 HydrophobicContact CG-CG 3.79Å; L2436-P2481 VanDerWaalsContact O-CD 3.24Å; L2436-P2481 WeakPolarHBondContact O-CD 3.36Å; E2438-P2481 HydrophobicContact CB-CB 4.26Å; D2479-P2481 VanDerWaalsContact C-CD 3.47Å; D2479-P2481 WeakPolarHBondContact O-CD 3.36Å
2482G75.4Confident83.8Confident78.5 Ų78.550.7 Ų50.781%0.80930%0.304SS*.THydrogen-bonded Turntrans117.9-10.9178.400000114.5N2480 R2488N2480-G2482 PolarHBondContact O-N 3.11Å; N2480-G2482 VanDerWaalsContact O-N 3.1Å; G2482-R2488 VanDerWaalsContact CA-NH2 3.26Å; G2482-R2488 VanDerWaalsContact N-CZ 3.31Å
2483D75.7Confident83.9Confident66.25 Ų66.2547.4 Ų47.435%0.35429%0.288SS..SBendtrans-84174.3175.4-155-3.2000112.7N2480 N2487 R2488N2480-D2483 VanDerWaalsContact ND2-CB 3.27Å; N2480-D2483 WeakPolarHBondContact ND2-CB 3.37Å; N2480-D2483 PolarHBondContact ND2-OD2 3.02Å; N2480-D2483 PolarHBondContact O-N 3.03Å; D2483-N2487 PolarHBondContact OD2-ND2 3.05Å; D2483-R2488 HydrophobicContact CB-CG 4.48Å; D2483-R2488 VanDerWaalsContact N-NH2 3.16Å; D2483-R2488 PolarHBondContact O-NE 3.17Å; D2483-R2488 PolarHBondContact O-NH2 3.08Å
2484V75.5Confident83.9Confident83 Ų8351.4 Ų51.450%0.50331%0.306SS..  trans-63.3141.9174.3-71.20000111.3S2486 N2487 R2488V2484-S2486 WeakPolarHBondContact CG2-OG 3.38Å; V2484-S2486 PolarHBondContact O-N 3Å; V2484-N2487 HydrophobicContact CG2-CB 4.07Å; V2484-N2487 PolarHBondContact O-N 2.96Å; V2484-R2488 PolarHBondContact O-N 2.77Å
2485A69.1Low83.8Confident86.75 Ų86.7549.7 Ų49.772%0.71730%0.296SS*.THydrogen-bonded Turntrans-61.3-10.1-176.600000115.1N2487A2485-N2487 VanDerWaalsContact C-N 3.3Å
2486S73.8Confident83.7Confident98.25 Ų98.2551.3 Ų51.369%0.68731%0.306SS*.THydrogen-bonded Turntrans-86.8-13.5172.950.50000114.2V2484V2484-S2486 WeakPolarHBondContact CG2-OG 3.38Å; V2484-S2486 PolarHBondContact O-N 3Å
2487N77.4Confident83.6Confident54.25 Ų54.2550.5 Ų50.529%0.2930%0.302SS..SBendtrans-11727.1178.8-160.847.8000110.9N2396 N2480 D2483 V2484 A2485N2396-N2487 PolarHBondContact ND2-O 2.99Å; N2396-N2487 VanDerWaalsContact ND2-O 3.13Å; N2480-N2487 PolarHBondContact ND2-ND2 2.88Å; N2480-N2487 PolarHBondContact ND2-O 3.13Å; D2483-N2487 PolarHBondContact OD2-ND2 3.05Å; V2484-N2487 HydrophobicContact CG2-CB 4.07Å; V2484-N2487 PolarHBondContact O-N 2.96Å; A2485-N2487 VanDerWaalsContact C-N 3.3Å
2488R81.5Confident83.4Confident66.5 Ų66.554.7 Ų54.725%0.25132%0.317SS..  trans-126.6134.8175.5-80.4-171.590.5-166.43.2108.7E2438 D2479 N2480 G2482 D2483 V2484 E2490E2438-R2488 IonicContact OE2-CZ 2.93Å; E2438-R2488 IonicContact OE2-NH1 3.13Å; E2438-R2488 PolarHBondContact OE2-NH1 2.73Å; E2438-R2488 IonicContact OE2-NH2 3.54Å; E2438-R2488 PolarHBondContact OE2-NH2 3.09Å; D2479-R2488 WeakPolarHBondContact O-CD 3.16Å; D2479-R2488 VanDerWaalsContact O-CG 3.32Å; D2479-R2488 WeakPolarHBondContact O-CG 3.48Å; D2479-R2488 VanDerWaalsContact O-CZ 3.24Å; D2479-R2488 PolarHBondContact O-NE 3.03Å; D2479-R2488 PolarHBondContact O-NH2 3.37Å; D2479-R2488 VanDerWaalsContact OD1-C 3.29Å; D2479-R2488 WeakPolarHBondContact OD1-CA 3.2Å; D2479-R2488 VanDerWaalsContact OD1-CB 3.22Å; D2479-R2488 WeakPolarHBondContact OD1-CB 3.36Å; D2479-R2488 WeakPolarHBondContact OD1-CG 3.06Å; N2480-R2488 HydrophobicContact CB-CG 4.26Å; N2480-R2488 WeakPolarHBondContact O-CD 3.44Å; N2480-R2488 PolarHBondContact O-NE 2.92Å; G2482-R2488 VanDerWaalsContact CA-NH2 3.26Å; G2482-R2488 VanDerWaalsContact N-CZ 3.31Å; D2483-R2488 HydrophobicContact CB-CG 4.48Å; D2483-R2488 VanDerWaalsContact N-NH2 3.16Å; D2483-R2488 PolarHBondContact O-NE 3.17Å; D2483-R2488 PolarHBondContact O-NH2 3.08Å; V2484-R2488 PolarHBondContact O-N 2.77Å; R2488-E2490 IonicContact CZ-OE2 2.79Å; R2488-E2490 IonicContact NE-OE2 3.06Å; R2488-E2490 IonicContact NH2-OE2 2.96Å; R2488-E2490 PolarHBondContact NH2-OE2 3.24Å
2489R82.9Confident83.3Confident78.75 Ų78.7552.3 Ų52.330%0.29731%0.307SS..  trans-102153.2170.9-66.6171172.1-117.28.6109.8N2396 D2397 N2398 N2399 K2478 D2479N2396-R2489 VanDerWaalsContact O-CZ 3.25Å; N2396-R2489 PolarHBondContact O-NE 3.14Å; N2396-R2489 PolarHBondContact O-NH2 3.13Å; N2396-R2489 WeakPolarHBondContact OD1-CD 3.41Å; N2396-R2489 VanDerWaalsContact OD1-CG 3.23Å; N2396-R2489 WeakPolarHBondContact OD1-CG 3.4Å; N2396-R2489 PolarHBondContact OD1-NE 3Å; D2397-R2489 VanDerWaalsContact C-CZ 3.44Å; D2397-R2489 VanDerWaalsContact C-NH1 3.27Å; D2397-R2489 VanDerWaalsContact CA-NH2 3.31Å; D2397-R2489 VanDerWaalsContact O-CZ 3.29Å; D2397-R2489 PolarHBondContact O-NH1 2.86Å; D2397-R2489 PolarHBondContact O-NH2 3.27Å; D2397-R2489 VanDerWaalsContact O-NH2 3.1Å; N2398-R2489 WeakPolarHBondContact O-CD 3.29Å; N2399-R2489 HydrophobicContact CB-CB 4.4Å; N2399-R2489 VanDerWaalsContact OD1-CB 3.31Å; N2399-R2489 WeakPolarHBondContact OD1-CB 3.19Å; N2399-R2489 VanDerWaalsContact OD1-CD 3.25Å; N2399-R2489 WeakPolarHBondContact OD1-CD 3.38Å; N2399-R2489 WeakPolarHBondContact OD1-CG 3.31Å; N2399-R2489 PolarHBondContact OD1-NH1 2.96Å; N2399-R2489 VanDerWaalsContact OD1-NH1 3.14Å; K2478-R2489 WeakPolarHBondContact CA-O 3.38Å; D2479-R2489 VanDerWaalsContact CG-N 3.26Å; D2479-R2489 VanDerWaalsContact CG-O 3.28Å; D2479-R2489 PolarHBondContact N-O 3.23Å; D2479-R2489 VanDerWaalsContact N-O 3.1Å; D2479-R2489 PolarHBondContact OD1-N 3.07Å; D2479-R2489 WeakPolarHBondContact OD2-CA 3.27Å; D2479-R2489 VanDerWaalsContact OD2-CB 3.31Å; D2479-R2489 WeakPolarHBondContact OD2-CB 3.3Å; D2479-R2489 PolarHBondContact OD2-N 2.92Å
2490E87.4Confident83.1Confident94.75 Ų94.7554.4 Ų54.444%0.44332%0.318SS..EExtended strand (participates in β ladder)trans-140.7146.117561.3-174.2-130.300110.4N2399 L2476 A2477 K2478 R2488N2399-E2490 PolarHBondContact ND2-O 3.24Å; L2476-E2490 HydrophobicContact CD1-CB 4.12Å; L2476-E2490 HydrophobicContact CD1-CG 4.18Å; L2476-E2490 HydrophobicContact CD2-CB 4.28Å; L2476-E2490 HydrophobicContact CD2-CG 4.31Å; L2476-E2490 WeakPolarHBondContact CD2-OE1 3.49Å; L2476-E2490 HydrophobicContact CG-CB 4.28Å; A2477-E2490 CarbonylContact O-C 3.54Å; A2477-E2490 VanDerWaalsContact O-CA 3.27Å; A2477-E2490 WeakPolarHBondContact O-CA 3.43Å; A2477-E2490 WeakPolarHBondContact O-CB 3.41Å; K2478-E2490 HydrophobicContact CB-CB 4.39Å; K2478-E2490 HydrophobicContact CD-CB 4.31Å; K2478-E2490 WeakPolarHBondContact CD-OE2 3.36Å; K2478-E2490 VanDerWaalsContact CE-OE2 3.24Å; K2478-E2490 WeakPolarHBondContact CE-OE2 3.27Å; K2478-E2490 HydrophobicContact CG-CB 3.78Å; K2478-E2490 WeakPolarHBondContact CG-OE2 3.33Å; K2478-E2490 VanDerWaalsContact NZ-CD 3.32Å; K2478-E2490 IonicContact NZ-OE1 3.53Å; K2478-E2490 PolarHBondContact NZ-OE1 3.41Å; K2478-E2490 IonicContact NZ-OE2 3.05Å; K2478-E2490 PolarHBondContact NZ-OE2 3.02Å; R2488-E2490 IonicContact CZ-OE2 2.79Å; R2488-E2490 IonicContact NE-OE2 3.06Å; R2488-E2490 IonicContact NH2-OE2 2.96Å; R2488-E2490 PolarHBondContact NH2-OE2 3.24Å
2491N87.8Confident83Confident51.5 Ų51.555.6 Ų55.628%0.27532%0.324SS..EExtended strand (participates in β ladder)trans-128.2156.5173.9-164.91.9000109N2399 P2400 F2402 L2476 A2477N2399-N2491 HydrophobicContact CB-CB 4.27Å; P2400-N2491 HydrophobicContact CG-CB 4.19Å; P2400-N2491 WeakPolarHBondContact O-CB 3.36Å; P2400-N2491 VanDerWaalsContact O-CG 3.3Å; P2400-N2491 PolarHBondContact O-ND2 2.99Å; F2402-N2491 WeakPolarHBondContact CE2-O 3.3Å; L2476-N2491 CarbonylContact C-O 3.48Å; L2476-N2491 WeakPolarHBondContact CA-O 3.27Å; L2476-N2491 WeakPolarHBondContact CD1-O 3.23Å; A2477-N2491 PolarHBondContact N-O 3.03Å; A2477-N2491 PolarHBondContact O-N 2.92Å; A2477-N2491 VanDerWaalsContact O-O 3.1Å
2492S89.7Confident83.2Confident59 Ų5956.5 Ų56.541%0.41333%0.328SS..EExtended strand (participates in β ladder)trans-131.5144.9-178.7680000112.1T2474 A2475T2474-S2492 WeakPolarHBondContact CG2-OG 3.41Å; A2475-S2492 CarbonylContact O-C 3.37Å; A2475-S2492 VanDerWaalsContact O-CA 3.31Å; A2475-S2492 WeakPolarHBondContact O-CA 3.37Å; A2475-S2492 VanDerWaalsContact O-CB 3.28Å; A2475-S2492 WeakPolarHBondContact O-CB 3.44Å
2493V90.4Very high83.7Confident4.75 Ų4.7554.8 Ų54.83%0.02930%0.301CS..EExtended strand (participates in β ladder)trans-122.7140.7175.167.70000110.2F2402 Q2404 P2405 Y2407 V2424 T2474 A2475 V2495F2402-V2493 HydrophobicContact CB-CB 4.19Å; F2402-V2493 HydrophobicContact CB-CG1 4.37Å; F2402-V2493 HydrophobicContact CB-CG2 4.32Å; F2402-V2493 HydrophobicContact CD1-CB 4.19Å; F2402-V2493 HydrophobicContact CD1-CG1 3.62Å; F2402-V2493 HydrophobicContact CD2-CB 3.66Å; F2402-V2493 HydrophobicContact CD2-CG1 3.84Å; F2402-V2493 HydrophobicContact CE1-CB 4.39Å; F2402-V2493 HydrophobicContact CE1-CG1 3.61Å; F2402-V2493 HydrophobicContact CE2-CB 3.98Å; F2402-V2493 HydrophobicContact CE2-CG1 3.81Å; F2402-V2493 HydrophobicContact CG-CB 3.76Å; F2402-V2493 HydrophobicContact CG-CG1 3.73Å; F2402-V2493 HydrophobicContact CG-CG2 4.45Å; F2402-V2493 HydrophobicContact CZ-CB 4.38Å; F2402-V2493 HydrophobicContact CZ-CG1 3.69Å; Q2404-V2493 WeakPolarHBondContact O-CG2 3.33Å; P2405-V2493 WeakPolarHBondContact O-CG2 3.19Å; Y2407-V2493 HydrophobicContact CD2-CB 4.45Å; Y2407-V2493 HydrophobicContact CD2-CG1 4.11Å; Y2407-V2493 HydrophobicContact CD2-CG2 3.78Å; Y2407-V2493 HydrophobicContact CE2-CB 4.41Å; Y2407-V2493 HydrophobicContact CE2-CG1 3.97Å; Y2407-V2493 HydrophobicContact CE2-CG2 3.84Å; V2424-V2493 HydrophobicContact CB-CG1 4.37Å; V2424-V2493 HydrophobicContact CG1-CG1 4.23Å; T2474-V2493 WeakPolarHBondContact CA-O 3.48Å; A2475-V2493 HydrophobicContact CB-CG1 3.93Å; A2475-V2493 PolarHBondContact N-O 2.83Å; A2475-V2493 PolarHBondContact O-N 2.9Å; V2493-V2495 HydrophobicContact CG1-CG2 4.34Å
2494Q89.7Confident84Confident83.25 Ų83.2556.9 Ų56.939%0.38931%0.312SS..EExtended strand (participates in β ladder)trans-84.2135175.9-67.1-106.4-23.900111.4S2406 Y2407 I2472 L2473 T2474S2406-Q2494 VanDerWaalsContact CA-O 3.31Å; S2406-Q2494 WeakPolarHBondContact CA-O 3.42Å; Y2407-Q2494 PolarHBondContact N-O 3Å; I2472-Q2494 HydrophobicContact CG2-CB 4.12Å; I2472-Q2494 VanDerWaalsContact CG2-CD 3.49Å; I2472-Q2494 HydrophobicContact CG2-CG 4.02Å; I2472-Q2494 VanDerWaalsContact CG2-OE1 3.25Å; L2473-Q2494 CarbonylContact O-C 3.32Å; L2473-Q2494 WeakPolarHBondContact O-CA 3.37Å; L2473-Q2494 PolarHBondContact O-OE1 2.81Å; T2474-Q2494 PolarHBondContact OG1-NE2 3.14Å; T2474-Q2494 PolarHBondContact OG1-OE1 2.94Å; T2474-Q2494 VanDerWaalsContact OG1-OE1 3.06Å
2495V89Confident84.3Confident0 Ų054.8 Ų54.80%030%0.301CS..EExtended strand (participates in β ladder)trans-120.6104.3179.1-1770000107.6Y2407 L2422 V2424 I2457 L2473 A2475 V2493 I2497Y2407-V2495 HydrophobicContact CD2-CG2 4.38Å; Y2407-V2495 CarbonylContact O-C 3.52Å; Y2407-V2495 VanDerWaalsContact O-CA 3.26Å; Y2407-V2495 WeakPolarHBondContact O-CA 3.36Å; L2422-V2495 HydrophobicContact CD1-CG1 3.95Å; L2422-V2495 HydrophobicContact CD1-CG2 4.37Å; L2422-V2495 HydrophobicContact CD2-CG1 3.68Å; L2422-V2495 VanDerWaalsContact CD2-CG1 3.48Å; L2422-V2495 HydrophobicContact CG-CG1 4.23Å; V2424-V2495 HydrophobicContact CG1-CG2 4Å; I2457-V2495 HydrophobicContact CD1-CB 4.32Å; I2457-V2495 HydrophobicContact CD1-CG1 4.05Å; I2457-V2495 HydrophobicContact CD1-CG2 3.91Å; L2473-V2495 HydrophobicContact CB-CB 4.19Å; L2473-V2495 HydrophobicContact CD1-CG1 4.43Å; L2473-V2495 PolarHBondContact N-O 3.01Å; L2473-V2495 WeakPolarHBondContact O-CB 3.38Å; L2473-V2495 PolarHBondContact O-N 3.04Å; A2475-V2495 HydrophobicContact CB-CG2 4.21Å; V2493-V2495 HydrophobicContact CG1-CG2 4.34Å; V2495-I2497 HydrophobicContact CG1-CG1 4.35Å
2496V88.6Confident85Confident34.75 Ų34.7558.3 Ų58.321%0.21130%0.295CS..EExtended strand (participates in β ladder)trans-97.6119.4-174.3-176.80000110Y2407 Q2408 E2409 H2470 Y2471 I2472Y2407-V2496 PolarHBondContact O-N 3.26Å; Q2408-V2496 CarbonylContact C-O 3.25Å; Q2408-V2496 VanDerWaalsContact CA-O 3.29Å; Q2408-V2496 WeakPolarHBondContact CA-O 3.37Å; Q2408-V2496 HydrophobicContact CB-CB 4.46Å; Q2408-V2496 HydrophobicContact CG-CB 4.26Å; Q2408-V2496 HydrophobicContact CG-CG1 4.45Å; E2409-V2496 PolarHBondContact N-O 3.13Å; E2409-V2496 VanDerWaalsContact N-O 3.17Å; H2470-V2496 HydrophobicContact CB-CG1 4.36Å; Y2471-V2496 CarbonylContact O-C 3.47Å; Y2471-V2496 WeakPolarHBondContact O-CA 3.17Å; I2472-V2496 HydrophobicContact CG1-CG2 4.45Å
2497I88.8Confident85.7Confident0.5 Ų0.554.1 Ų54.10%0.00327%0.266CS..EExtended strand (participates in β ladder)trans-113.4105179.2-59.4170000107.3E2409 V2411 I2421 F2448 I2457 H2470 Y2471 L2473 V2495E2409-I2497 CarbonylContact O-C 3.5Å; E2409-I2497 WeakPolarHBondContact O-CA 3.29Å; V2411-I2497 HydrophobicContact CB-CG2 4.43Å; V2411-I2497 HydrophobicContact CG1-CG2 4.24Å; V2411-I2497 HydrophobicContact CG2-CG2 3.62Å; I2421-I2497 HydrophobicContact CD1-CD1 3.71Å; I2421-I2497 HydrophobicContact CD1-CG1 4.49Å; F2448-I2497 HydrophobicContact CD1-CD1 3.69Å; F2448-I2497 VanDerWaalsContact CD1-CD1 3.46Å; F2448-I2497 HydrophobicContact CD2-CD1 4.33Å; F2448-I2497 HydrophobicContact CE1-CD1 3.41Å; F2448-I2497 VanDerWaalsContact CE1-CD1 3.44Å; F2448-I2497 HydrophobicContact CE1-CG1 4.48Å; F2448-I2497 HydrophobicContact CE1-CG2 4.29Å; F2448-I2497 HydrophobicContact CE2-CD1 4.08Å; F2448-I2497 HydrophobicContact CG-CD1 4.15Å; F2448-I2497 HydrophobicContact CZ-CB 4.43Å; F2448-I2497 HydrophobicContact CZ-CD1 3.62Å; F2448-I2497 VanDerWaalsContact CZ-CD1 3.49Å; F2448-I2497 HydrophobicContact CZ-CG2 4.16Å; I2457-I2497 HydrophobicContact CG2-CD1 4.46Å; H2470-I2497 CarbonylContact C-O 3.53Å; H2470-I2497 VanDerWaalsContact CA-O 3.24Å; H2470-I2497 WeakPolarHBondContact CA-O 3.33Å; Y2471-I2497 PolarHBondContact N-O 3.06Å; Y2471-I2497 PolarHBondContact O-N 2.84Å; L2473-I2497 HydrophobicContact CD1-CD1 3.66Å; L2473-I2497 HydrophobicContact CG-CD1 4.29Å; V2495-I2497 HydrophobicContact CG1-CG1 4.35Å
2498R86.3Confident86.1Confident88 Ų8858.1 Ų58.133%0.33228%0.283SS..EExtended strand (participates in β ladder)trans-85134.3-179.7-173.1177.6-173.1-108.3-0.3110.9E2409 A2410 V2411 L2500 E2538E2409-R2498 PolarHBondContact O-N 3.19Å; E2409-R2498 VanDerWaalsContact O-N 3.15Å; A2410-R2498 CarbonylContact C-O 3.58Å; A2410-R2498 WeakPolarHBondContact CA-O 3.26Å; A2410-R2498 HydrophobicContact CB-CB 4.39Å; V2411-R2498 VanDerWaalsContact CG2-O 3.3Å; V2411-R2498 WeakPolarHBondContact CG2-O 3.42Å; V2411-R2498 PolarHBondContact N-O 3.03Å; V2411-R2498 VanDerWaalsContact O-O 3.06Å; R2498-L2500 VanDerWaalsContact NH1-CD2 3.3Å; R2498-E2538 IonicContact CZ-OE1 2.72Å; R2498-E2538 IonicContact CZ-OE2 3.6Å; R2498-E2538 IonicContact NH1-OE1 3.6Å; R2498-E2538 IonicContact NH1-OE2 2.91Å; R2498-E2538 PolarHBondContact NH1-OE2 3.25Å; R2498-E2538 IonicContact NH2-OE1 3.36Å; R2498-E2538 PolarHBondContact NH2-OE1 2.84Å; R2498-E2538 IonicContact NH2-OE2 3.67Å; R2498-E2538 PolarHBondContact NH2-OE2 3.05Å
2499V87.8Confident86.4Confident0 Ų055.9 Ų55.90%028%0.275CS..EExtended strand (participates in β ladder)trans-96.4147.7175.5-165.60000109.3V2411 E2413 L2463 R2465 K2468 D2469 Y2471V2411-V2499 HydrophobicContact CG2-CG2 4.35Å; V2411-V2499 CarbonylContact O-C 3.54Å; V2411-V2499 VanDerWaalsContact O-CA 3.25Å; V2411-V2499 WeakPolarHBondContact O-CA 3.26Å; E2413-V2499 VanDerWaalsContact CA-CG1 3.43Å; E2413-V2499 HydrophobicContact CB-CG1 3.55Å; L2463-V2499 HydrophobicContact CB-CG1 4.38Å; L2463-V2499 HydrophobicContact CB-CG2 4.4Å; L2463-V2499 HydrophobicContact CD1-CG2 4.26Å; R2465-V2499 HydrophobicContact CB-CB 4.26Å; R2465-V2499 HydrophobicContact CB-CG1 3.98Å; R2465-V2499 HydrophobicContact CG-CB 4.18Å; R2465-V2499 HydrophobicContact CG-CG1 4.22Å; K2468-V2499 WeakPolarHBondContact O-CG2 3.38Å; D2469-V2499 WeakPolarHBondContact O-CA 3.32Å; D2469-V2499 VanDerWaalsContact O-CB 3.25Å; D2469-V2499 WeakPolarHBondContact O-CB 3.39Å; D2469-V2499 PolarHBondContact O-N 3.07Å; Y2471-V2499 HydrophobicContact CD2-CG2 3.98Å; Y2471-V2499 HydrophobicContact CE2-CG2 3.8Å
2500L84Confident86.3Confident44.25 Ų44.2556.7 Ų56.723%0.23229%0.292CS..  trans-115.9147.1-175.6-60.5174.5000111.5A2410 V2411 F2412 E2413 R2465 R2498A2410-L2500 HydrophobicContact CB-CD1 3.97Å; A2410-L2500 HydrophobicContact CB-CD2 4.09Å; A2410-L2500 HydrophobicContact CB-CG 4.05Å; V2411-L2500 PolarHBondContact O-N 3.02Å; F2412-L2500 WeakPolarHBondContact CA-O 3.14Å; F2412-L2500 HydrophobicContact CD1-CB 3.78Å; F2412-L2500 HydrophobicContact CD1-CD1 3.91Å; F2412-L2500 HydrophobicContact CD1-CG 4.36Å; F2412-L2500 HydrophobicContact CD2-CD1 4.22Å; F2412-L2500 HydrophobicContact CE1-CB 4.08Å; F2412-L2500 HydrophobicContact CE1-CD1 3.71Å; F2412-L2500 VanDerWaalsContact CE1-CD1 3.44Å; F2412-L2500 HydrophobicContact CE1-CG 4.48Å; F2412-L2500 HydrophobicContact CE2-CD1 4.02Å; F2412-L2500 HydrophobicContact CG-CB 4.3Å; F2412-L2500 HydrophobicContact CG-CD1 4.03Å; F2412-L2500 HydrophobicContact CZ-CD1 3.76Å; E2413-L2500 PolarHBondContact N-O 2.8Å; E2413-L2500 VanDerWaalsContact N-O 3.15Å; R2465-L2500 WeakPolarHBondContact CB-O 3.5Å; R2498-L2500 VanDerWaalsContact NH1-CD2 3.3Å
2501D84.9Confident85.9Confident36.75 Ų36.7557.9 Ų57.920%0.19730%0.296CS..  trans-83.8150.5-163.9-179.668.8000117.1E2413 R2465 D2537 E2538 N2541E2413-D2501 WeakPolarHBondContact OE1-CA 3.09Å; R2465-D2501 IonicContact CZ-OD1 3.16Å; R2465-D2501 VanDerWaalsContact CZ-OD1 3.26Å; R2465-D2501 IonicContact NE-OD1 3.21Å; R2465-D2501 PolarHBondContact NE-OD1 3.02Å; R2465-D2501 VanDerWaalsContact NE-OD1 3.09Å; R2465-D2501 IonicContact NH1-OD1 2.96Å; R2465-D2501 PolarHBondContact NH1-OD1 2.95Å; R2465-D2501 IonicContact NH2-OD1 2.74Å; R2465-D2501 PolarHBondContact NH2-OD1 2.97Å; D2501-D2537 VanDerWaalsContact OD1-CA 3.25Å; D2501-D2537 WeakPolarHBondContact OD1-CA 3.42Å; D2501-D2537 WeakPolarHBondContact OD1-CB 3.27Å; D2501-E2538 HydrophobicContact CB-CB 3.92Å; D2501-E2538 VanDerWaalsContact OD1-CB 3.27Å; D2501-E2538 WeakPolarHBondContact OD1-CB 3.48Å; D2501-E2538 PolarHBondContact OD1-N 3.15Å; D2501-E2538 VanDerWaalsContact OD2-CB 3.26Å; D2501-E2538 WeakPolarHBondContact OD2-CB 3.24Å; D2501-E2538 PolarHBondContact OD2-N 2.83Å; D2501-E2538 VanDerWaalsContact OD2-N 3.17Å; D2501-N2541 VanDerWaalsContact OD2-CB 3.31Å; D2501-N2541 WeakPolarHBondContact OD2-CB 3.12Å; D2501-N2541 PolarHBondContact OD2-ND2 3.31Å
2502V82Confident85.6Confident76.5 Ų76.560.9 Ų60.946%0.46432%0.319SS..  trans-140.7131.6170.3-175.30000110.1F2412 E2413 D2414 D2504F2412-V2502 HydrophobicContact CB-CG2 4.05Å; F2412-V2502 HydrophobicContact CD1-CG2 3.9Å; F2412-V2502 HydrophobicContact CG-CG2 4.4Å; E2413-V2502 HydrophobicContact CG-CB 4.15Å; E2413-V2502 HydrophobicContact CG-CG2 4.1Å; E2413-V2502 WeakPolarHBondContact OE1-CB 3.33Å; E2413-V2502 VanDerWaalsContact OE1-CG2 3.24Å; E2413-V2502 WeakPolarHBondContact OE1-CG2 3.21Å; E2413-V2502 PolarHBondContact OE1-N 2.81Å; D2414-V2502 HydrophobicContact CB-CG2 4.41Å; V2502-D2504 VanDerWaalsContact O-CB 3.29Å; V2502-D2504 WeakPolarHBondContact O-CB 3.31Å; V2502-D2504 PolarHBondContact O-N 3.37Å; V2502-D2504 VanDerWaalsContact O-N 3.11Å
2503N84.9Confident85.4Confident43.25 Ų43.2563.2 Ų63.223%0.23132%0.323CS..  trans-63.4113.2-175-173.328.5000115D2537 N2541 D2585 G2587 P2589 L2591N2503-D2537 VanDerWaalsContact CA-OD2 3.26Å; N2503-D2537 WeakPolarHBondContact CA-OD2 3.32Å; N2503-D2537 PolarHBondContact OD1-OD2 3.29Å; N2503-D2537 VanDerWaalsContact OD1-OD2 3.07Å; N2503-N2541 HydrophobicContact CB-CB 4.24Å; N2503-N2541 WeakPolarHBondContact CB-ND2 3.31Å; N2503-N2541 VanDerWaalsContact CG-CG 3.41Å; N2503-N2541 PolarHBondContact N-ND2 2.87Å; N2503-N2541 WeakPolarHBondContact ND2-CB 3.42Å; N2503-N2541 PolarHBondContact ND2-OD1 3.11Å; N2503-N2541 VanDerWaalsContact OD1-CA 3.22Å; N2503-N2541 WeakPolarHBondContact OD1-CA 3.39Å; N2503-N2541 VanDerWaalsContact OD1-CB 3.26Å; N2503-N2541 WeakPolarHBondContact OD1-CB 3.3Å; N2503-N2541 PolarHBondContact OD1-OD1 2.83Å; N2503-D2585 PolarHBondContact ND2-OD2 3.1Å; N2503-G2587 WeakPolarHBondContact OD1-CA 3.42Å; N2503-P2589 PolarHBondContact ND2-O 2.78Å; N2503-L2591 WeakPolarHBondContact ND2-CD1 3.2Å; N2503-L2591 WeakPolarHBondContact ND2-CG 3.25Å
2504D83.2Confident85.2Confident109.5 Ų109.564.4 Ų64.459%0.58633%0.328SS*.  trans-141.7-3.5179.799.6-20.4000117.6E2466 V2502 D2537E2466-D2504 VanDerWaalsContact CD-OD1 3.26Å; E2466-D2504 WeakPolarHBondContact CG-OD1 3.39Å; V2502-D2504 VanDerWaalsContact O-CB 3.29Å; V2502-D2504 WeakPolarHBondContact O-CB 3.31Å; V2502-D2504 PolarHBondContact O-N 3.37Å; V2502-D2504 VanDerWaalsContact O-N 3.11Å; D2504-D2537 PolarHBondContact N-OD1 2.92Å; D2504-D2537 PolarHBondContact N-OD2 2.74Å
2505C80.2Confident85Confident39.75 Ų39.7564.7 Ų64.727%0.26934%0.339SS..  trans-106.3-172.5-175.8-71.50000116.4D2535 Q2536 D2537 L2591C2505-D2535 VanDerWaalsContact CB-OD1 3.29Å; C2505-D2535 WeakPolarHBondContact CB-OD1 3.37Å; C2505-Q2536 HydrophobicContact CB-CB 4.01Å; C2505-Q2536 HydrophobicContact CB-CG 4.43Å; C2505-D2537 WeakPolarHBondContact CA-OD2 3.4Å; C2505-D2537 WeakPolarHBondContact CB-OD1 3.23Å; C2505-D2537 WeakPolarHBondContact CB-OD2 3.25Å; C2505-D2537 VanDerWaalsContact N-CG 3.34Å; C2505-D2537 PolarHBondContact N-OD1 3.22Å; C2505-D2537 VanDerWaalsContact N-OD1 3.07Å; C2505-D2537 PolarHBondContact N-OD2 3.06Å; C2505-L2591 VanDerWaalsContact O-CD1 3.29Å; C2505-L2591 WeakPolarHBondContact O-CD1 3.45Å
2506R85.3Confident85Confident160.5 Ų160.566.5 Ų66.561%0.60635%0.35SS*.  trans-146150.1-171.6-72.6-176.1164.3-100.6-8.9114.6Q2508 D2535 L2591R2506-Q2508 PolarHBondContact O-N 3.19Å; R2506-D2535 VanDerWaalsContact C-CG 3.48Å; R2506-D2535 VanDerWaalsContact C-OD1 3.28Å; R2506-D2535 WeakPolarHBondContact CA-OD1 3.29Å; R2506-D2535 VanDerWaalsContact CA-OD2 3.29Å; R2506-D2535 WeakPolarHBondContact CA-OD2 3.25Å; R2506-D2535 PolarHBondContact N-OD1 3.02Å; R2506-D2535 PolarHBondContact N-OD2 2.7Å; R2506-L2591 HydrophobicContact CB-CB 3.52Å; R2506-L2591 HydrophobicContact CB-CD1 4.21Å; R2506-L2591 HydrophobicContact CB-CG 4.27Å; R2506-L2591 HydrophobicContact CG-CB 4.12Å; R2506-L2591 HydrophobicContact CG-CD1 3.75Å; R2506-L2591 VanDerWaalsContact CG-CD1 3.47Å; R2506-L2591 HydrophobicContact CG-CD2 4.45Å; R2506-L2591 HydrophobicContact CG-CG 4.18Å
2507P88.9Confident84.8Confident9.75 Ų9.7567.9 Ų67.96%0.06336%0.361CS..  trans-71.5138.1-179.4-23.835.2000116.1T2534 D2535 L2544 A2583 D2585 G2593P2507-T2534 CarbonylContact C-O 3.46Å; P2507-T2534 VanDerWaalsContact CA-O 3.28Å; P2507-T2534 WeakPolarHBondContact CA-O 3.34Å; P2507-D2535 VanDerWaalsContact CA-OD2 3.25Å; P2507-D2535 WeakPolarHBondContact CA-OD2 3.32Å; P2507-D2535 HydrophobicContact CB-CB 4.32Å; P2507-D2535 WeakPolarHBondContact CD-OD2 3.3Å; P2507-D2535 HydrophobicContact CG-CB 4.22Å; P2507-D2535 VanDerWaalsContact CG-OD2 3.28Å; P2507-D2535 WeakPolarHBondContact CG-OD2 3.23Å; P2507-D2535 VanDerWaalsContact N-OD2 3.07Å; P2507-L2544 HydrophobicContact CB-CD1 4.37Å; P2507-L2544 HydrophobicContact CB-CD2 3.73Å; P2507-L2544 HydrophobicContact CG-CD2 3.65Å; P2507-L2544 VanDerWaalsContact CG-CD2 3.47Å; P2507-A2583 HydrophobicContact CB-CB 3.67Å; P2507-A2583 WeakPolarHBondContact CB-O 3.47Å; P2507-D2585 VanDerWaalsContact CD-OD2 3.25Å; P2507-D2585 WeakPolarHBondContact CD-OD2 3.37Å; P2507-D2585 HydrophobicContact CG-CB 3.86Å; P2507-D2585 WeakPolarHBondContact CG-OD2 3.27Å; P2507-G2593 WeakPolarHBondContact O-CA 3.34Å
2508Q84.9Confident84.7Confident138.75 Ų138.7568.3 Ų68.365%0.64836%0.364SS*.EExtended strand (participates in β ladder)trans-137.1133.9-176.9-172.9171.417.700114R2506 A2533 T2534R2506-Q2508 PolarHBondContact O-N 3.19Å; Q2508-A2533 CarbonylContact O-C 3.48Å; Q2508-A2533 VanDerWaalsContact O-CA 3.26Å; Q2508-A2533 WeakPolarHBondContact O-CA 3.21Å; Q2508-A2533 WeakPolarHBondContact O-CB 3.3Å; Q2508-T2534 PolarHBondContact N-O 3.12Å; Q2508-T2534 PolarHBondContact O-N 2.83Å; Q2508-T2534 PolarHBondContact O-OG1 3.17Å
2509F87.8Confident84.6Confident19.5 Ų19.570 Ų709%0.08637%0.371CS..EExtended strand (participates in β ladder)trans-85146.3169.4-77.4-83.2000112K2511 F2514 M2531 L2532 A2533 Y2546 V2581 V2582 A2583 G2593 T2594 T2595F2509-K2511 VanDerWaalsContact C-N 3.33Å; F2509-K2511 PolarHBondContact O-N 3.09Å; F2509-K2511 VanDerWaalsContact O-N 3.08Å; F2509-F2514 HydrophobicContact CB-CE2 4.25Å; F2509-F2514 HydrophobicContact CD1-CE2 4.46Å; F2509-M2531 HydrophobicContact CD1-CE 4.19Å; F2509-M2531 HydrophobicContact CE1-CB 4.44Å; F2509-M2531 HydrophobicContact CE1-CE 4.05Å; F2509-L2532 VanDerWaalsContact CD1-O 3.24Å; F2509-L2532 WeakPolarHBondContact CD1-O 3.41Å; F2509-A2533 HydrophobicContact CD1-CB 3.96Å; F2509-A2533 HydrophobicContact CD2-CB 4.27Å; F2509-A2533 HydrophobicContact CE1-CB 4.02Å; F2509-A2533 HydrophobicContact CE2-CB 4.27Å; F2509-A2533 HydrophobicContact CG-CB 4.09Å; F2509-A2533 HydrophobicContact CZ-CB 4.22Å; F2509-Y2546 HydrophobicContact CE1-CD1 4.35Å; F2509-Y2546 AromaticContact CE1-CE1 3.9Å; F2509-Y2546 HydrophobicContact CE1-CE1 4.12Å; F2509-Y2546 HydrophobicContact CZ-CD1 4.19Å; F2509-Y2546 HydrophobicContact CZ-CE1 4.21Å; F2509-V2581 HydrophobicContact CE1-CG1 4.28Å; F2509-V2581 HydrophobicContact CZ-CB 4.38Å; F2509-V2581 HydrophobicContact CZ-CG1 4.03Å; F2509-V2582 VanDerWaalsContact CZ-C 3.5Å; F2509-A2583 HydrophobicContact CD2-CB 4.4Å; F2509-A2583 HydrophobicContact CE1-CB 4.45Å; F2509-A2583 HydrophobicContact CE2-CB 3.6Å; F2509-A2583 VanDerWaalsContact CE2-CB 3.46Å; F2509-A2583 HydrophobicContact CZ-CB 3.52Å; F2509-A2583 VanDerWaalsContact CZ-CB 3.45Å; F2509-G2593 WeakPolarHBondContact CE2-O 3.48Å; F2509-T2594 VanDerWaalsContact CD2-C 3.46Å; F2509-T2594 VanDerWaalsContact CD2-CA 3.49Å; F2509-T2594 VanDerWaalsContact CD2-N 3.31Å; F2509-T2594 WeakPolarHBondContact CD2-O 3.43Å; F2509-T2594 VanDerWaalsContact CE2-CA 3.47Å; F2509-T2595 HydrophobicContact CB-CG2 4.15Å; F2509-T2595 HydrophobicContact CD1-CG2 3.61Å; F2509-T2595 VanDerWaalsContact CD1-CG2 3.49Å; F2509-T2595 HydrophobicContact CD2-CG2 4.03Å; F2509-T2595 HydrophobicContact CE1-CG2 3.77Å; F2509-T2595 HydrophobicContact CE2-CG2 4.19Å; F2509-T2595 HydrophobicContact CG-CG2 3.82Å; F2509-T2595 VanDerWaalsContact CG-CG2 3.46Å; F2509-T2595 HydrophobicContact CZ-CG2 4.09Å
2510S80.9Confident84.3Confident95 Ų9571.6 Ų71.666%0.66438%0.378SS*.SBendtrans-71.6-23.1-177.562.20000115.2F2514S2510-F2514 WeakPolarHBondContact OG-CZ 3.39Å
2511K78.5Confident84.1Confident120.5 Ų120.574.1 Ų74.152%0.52439%0.392SS..  trans-140.1149.9178.4-62.6-179.4-177.8174.90111.1F2509 Q2513 F2514 T2595F2509-K2511 VanDerWaalsContact C-N 3.33Å; F2509-K2511 PolarHBondContact O-N 3.09Å; F2509-K2511 VanDerWaalsContact O-N 3.08Å; K2511-Q2513 VanDerWaalsContact C-N 3.31Å; K2511-Q2513 WeakPolarHBondContact CB-O 3.23Å; K2511-Q2513 PolarHBondContact O-N 3.27Å; K2511-F2514 HydrophobicContact CB-CD2 4.35Å; K2511-F2514 HydrophobicContact CB-CE1 4.38Å; K2511-F2514 HydrophobicContact CB-CE2 3.83Å; K2511-F2514 HydrophobicContact CB-CZ 3.9Å; K2511-F2514 HydrophobicContact CD-CD1 4.43Å; K2511-F2514 HydrophobicContact CD-CE1 4.12Å; K2511-F2514 HydrophobicContact CD-CZ 4.22Å; K2511-F2514 HydrophobicContact CG-CE1 4.43Å; K2511-F2514 HydrophobicContact CG-CZ 4.21Å; K2511-F2514 WeakPolarHBondContact O-CE2 3.02Å; K2511-T2595 WeakPolarHBondContact O-CB 3.49Å; K2511-T2595 PolarHBondContact O-OG1 3.09Å
2512P80.9Confident83.9Confident115.25 Ų115.2575.5 Ų75.575%0.74840%0.397SS*.SBendtrans-76-16.5172.631.7-35.7000113.5T2595 M2596P2512-T2595 VanDerWaalsContact C-OG1 3.22Å; P2512-T2595 PolarHBondContact O-OG1 3.21Å; P2512-T2595 VanDerWaalsContact O-OG1 3.05Å; P2512-M2596 PolarHBondContact O-N 2.99Å; P2512-M2596 VanDerWaalsContact O-N 3.09Å
2513Q85.8Confident83.9Confident106.5 Ų106.575.7 Ų75.750%0.49840%0.4SS..EExtended strand (participates in β ladder)trans-151.4143177.8-178.3177.9-2.300111.3K2511 M2596K2511-Q2513 VanDerWaalsContact C-N 3.31Å; K2511-Q2513 WeakPolarHBondContact CB-O 3.23Å; K2511-Q2513 PolarHBondContact O-N 3.27Å; Q2513-M2596 CarbonylContact C-O 3.5Å; Q2513-M2596 VanDerWaalsContact CA-O 3.32Å; Q2513-M2596 WeakPolarHBondContact CA-O 3.38Å; Q2513-M2596 HydrophobicContact CB-CB 4.14Å; Q2513-M2596 HydrophobicContact CG-CB 4.02Å
2514F87Confident83.7Confident30.5 Ų30.576.5 Ų76.513%0.13441%0.413CS..EExtended strand (participates in β ladder)trans-120.2156.8173.5-67.7-99.8000110.9F2509 S2510 K2511 I2529 M2531 T2595 M2596 L2597 L2598F2509-F2514 HydrophobicContact CB-CE2 4.25Å; F2509-F2514 HydrophobicContact CD1-CE2 4.46Å; S2510-F2514 WeakPolarHBondContact OG-CZ 3.39Å; K2511-F2514 HydrophobicContact CB-CD2 4.35Å; K2511-F2514 HydrophobicContact CB-CE1 4.38Å; K2511-F2514 HydrophobicContact CB-CE2 3.83Å; K2511-F2514 HydrophobicContact CB-CZ 3.9Å; K2511-F2514 HydrophobicContact CD-CD1 4.43Å; K2511-F2514 HydrophobicContact CD-CE1 4.12Å; K2511-F2514 HydrophobicContact CD-CZ 4.22Å; K2511-F2514 HydrophobicContact CG-CE1 4.43Å; K2511-F2514 HydrophobicContact CG-CZ 4.21Å; K2511-F2514 WeakPolarHBondContact O-CE2 3.02Å; F2514-I2529 HydrophobicContact CB-CD1 4.1Å; F2514-I2529 HydrophobicContact CD1-CD1 4.13Å; F2514-I2529 HydrophobicContact CG-CD1 4.31Å; F2514-M2531 HydrophobicContact CB-CE 4.48Å; F2514-M2531 HydrophobicContact CB-SD 4.48Å; F2514-M2531 HydrophobicContact CD1-CE 4.46Å; F2514-M2531 HydrophobicContact CD2-CE 3.57Å; F2514-M2531 VanDerWaalsContact CD2-CE 3.48Å; F2514-M2531 HydrophobicContact CD2-SD 4.25Å; F2514-M2531 HydrophobicContact CE2-CE 3.84Å; F2514-M2531 HydrophobicContact CG-CE 4.04Å; F2514-M2531 HydrophobicContact CG-SD 4.41Å; F2514-M2531 HydrophobicContact CZ-CE 4.43Å; F2514-T2595 HydrophobicContact CD2-CG2 4.12Å; F2514-T2595 WeakPolarHBondContact CD2-OG1 3.3Å; F2514-T2595 HydrophobicContact CE2-CG2 4Å; F2514-T2595 WeakPolarHBondContact CE2-OG1 3.38Å; F2514-M2596 WeakPolarHBondContact CB-O 3.45Å; F2514-M2596 WeakPolarHBondContact CD2-O 3.47Å; F2514-M2596 PolarHBondContact N-O 3.1Å; F2514-L2597 HydrophobicContact CB-CD1 4.07Å; F2514-L2597 CarbonylContact O-C 3.56Å; F2514-L2597 WeakPolarHBondContact O-CA 3.44Å; F2514-L2598 PolarHBondContact O-N 3.21Å
2515S86.3Confident83.8Confident88.5 Ų88.573.5 Ų73.562%0.61941%0.408SS*.EExtended strand (participates in β ladder)trans-146.4138.2177.956.20000110.4L2598S2515-L2598 CarbonylContact C-O 3.47Å; S2515-L2598 VanDerWaalsContact CA-O 3.26Å; S2515-L2598 WeakPolarHBondContact CA-O 3.38Å
2516T88.1Confident84.1Confident38 Ų3872.8 Ų72.823%0.23340%0.403CS..EExtended strand (participates in β ladder)trans-148.5171.2-178.4-168.80000111.3V2528 I2529 L2597 L2598 V2599 E2600T2516-V2528 HydrophobicContact CG2-CG1 3.56Å; T2516-V2528 VanDerWaalsContact CG2-CG1 3.45Å; T2516-V2528 PolarHBondContact OG1-O 3.01Å; T2516-I2529 HydrophobicContact CG2-CB 4.28Å; T2516-I2529 HydrophobicContact CG2-CG2 4.4Å; T2516-L2597 HydrophobicContact CG2-CD1 4.18Å; T2516-L2598 PolarHBondContact N-O 3.06Å; T2516-V2599 HydrophobicContact CG2-CB 4.39Å; T2516-V2599 HydrophobicContact CG2-CG1 4.26Å; T2516-V2599 HydrophobicContact CG2-CG2 4.02Å; T2516-V2599 WeakPolarHBondContact O-CA 3.32Å; T2516-E2600 PolarHBondContact O-N 3.01Å
2517S85.3Confident84.2Confident64.5 Ų64.568.9 Ų68.945%0.45140%0.4SS..EExtended strand (participates in β ladder)trans-139.9158.2-179.156.60000112.7E2600S2517-E2600 CarbonylContact C-O 3.56Å; S2517-E2600 WeakPolarHBondContact CA-O 3.46Å; S2517-E2600 VanDerWaalsContact CB-O 3.31Å; S2517-E2600 WeakPolarHBondContact CB-O 3.34Å
2518V86.6Confident84.1Confident9.25 Ų9.2569 Ų696%0.05640%0.4CS..EExtended strand (participates in β ladder)trans-145.8143.1-177.682.80000110.5E2522 T2526 V2528 T2567 L2571 V2599 E2600 V2601 I2602V2518-E2522 HydrophobicContact CG1-CB 3.96Å; V2518-E2522 HydrophobicContact CG1-CG 3.92Å; V2518-E2522 HydrophobicContact CG2-CB 4.1Å; V2518-E2522 HydrophobicContact CG2-CG 4Å; V2518-T2526 HydrophobicContact CG2-CG2 4.33Å; V2518-V2528 HydrophobicContact CG2-CG1 4.28Å; V2518-V2528 HydrophobicContact CG2-CG2 4.21Å; V2518-T2567 HydrophobicContact CG2-CG2 4.4Å; V2518-L2571 HydrophobicContact CB-CD1 4.47Å; V2518-L2571 HydrophobicContact CG1-CD1 3.72Å; V2518-L2571 HydrophobicContact CG2-CD1 4.39Å; V2518-V2599 HydrophobicContact CG1-CG1 4.22Å; V2518-V2599 HydrophobicContact CG2-CG1 4.32Å; V2518-E2600 PolarHBondContact N-O 3.17Å; V2518-E2600 VanDerWaalsContact N-O 3.16Å; V2518-V2601 HydrophobicContact CG1-CG2 4.21Å; V2518-V2601 CarbonylContact O-C 3.53Å; V2518-V2601 VanDerWaalsContact O-CA 3.25Å; V2518-V2601 WeakPolarHBondContact O-CA 3.42Å; V2518-I2602 PolarHBondContact O-N 3.33Å
2519Y82.6Confident84.3Confident123 Ų12364 Ų6448%0.48238%0.377SS..EExtended strand (participates in β ladder)trans-76.9147.4176.1-60.5-80.2000111.3N2521 E2522 I2602 V2604Y2519-N2521 VanDerWaalsContact C-N 3.29Å; Y2519-N2521 VanDerWaalsContact CB-OD1 3.26Å; Y2519-N2521 WeakPolarHBondContact CB-OD1 3.4Å; Y2519-N2521 PolarHBondContact O-N 2.98Å; Y2519-E2522 VanDerWaalsContact O-CB 3.23Å; Y2519-E2522 WeakPolarHBondContact O-CB 3.45Å; Y2519-E2522 VanDerWaalsContact O-CG 3.29Å; Y2519-E2522 WeakPolarHBondContact O-CG 3.5Å; Y2519-E2522 PolarHBondContact O-N 3.14Å; Y2519-E2522 VanDerWaalsContact O-N 3.15Å; Y2519-I2602 WeakPolarHBondContact CA-O 3.25Å; Y2519-I2602 HydrophobicContact CD1-CB 3.79Å; Y2519-I2602 HydrophobicContact CD1-CD1 4.11Å; Y2519-I2602 HydrophobicContact CD1-CG1 4.49Å; Y2519-I2602 HydrophobicContact CD1-CG2 3.82Å; Y2519-I2602 HydrophobicContact CE1-CB 4.2Å; Y2519-I2602 HydrophobicContact CE1-CD1 4.16Å; Y2519-I2602 HydrophobicContact CE1-CG2 3.88Å; Y2519-V2604 HydrophobicContact CD1-CG2 3.85Å; Y2519-V2604 HydrophobicContact CG-CG2 4.32Å
2520E82.7Confident84.4Confident33.75 Ų33.7567 Ų6716%0.15840%0.398CS..THydrogen-bonded Turntrans-69.7-26-176.274.3-175.7139.600114.2E2522 L2571 Q2572 S2573 V2601 I2602 D2603 V2604E2520-E2522 VanDerWaalsContact C-N 3.26Å; E2520-E2522 PolarHBondContact O-N 2.9Å; E2520-L2571 WeakPolarHBondContact CB-O 3.39Å; E2520-L2571 PolarHBondContact O-N 3.48Å; E2520-Q2572 WeakPolarHBondContact OE2-CA 3.44Å; E2520-S2573 WeakPolarHBondContact OE1-CB 3.48Å; E2520-S2573 PolarHBondContact OE1-OG 3.24Å; E2520-S2573 VanDerWaalsContact OE2-CB 3.27Å; E2520-S2573 WeakPolarHBondContact OE2-CB 3.38Å; E2520-S2573 PolarHBondContact OE2-N 2.82Å; E2520-S2573 VanDerWaalsContact OE2-N 3.14Å; E2520-S2573 PolarHBondContact OE2-OG 2.95Å; E2520-S2573 VanDerWaalsContact OE2-OG 3.05Å; E2520-V2601 HydrophobicContact CB-CG1 3.94Å; E2520-I2602 PolarHBondContact N-O 3.24Å; E2520-D2603 VanDerWaalsContact OE1-CA 3.25Å; E2520-D2603 WeakPolarHBondContact OE1-CA 3.39Å; E2520-V2604 PolarHBondContact OE1-N 3.39Å
2521N79.8Confident84.7Confident97.5 Ų97.562.5 Ų62.552%0.52137%0.366SS..THydrogen-bonded Turntrans-80.70.8178.568.7-13.1000113.6Y2519Y2519-N2521 VanDerWaalsContact C-N 3.29Å; Y2519-N2521 VanDerWaalsContact CB-OD1 3.26Å; Y2519-N2521 WeakPolarHBondContact CB-OD1 3.4Å; Y2519-N2521 PolarHBondContact O-N 2.98Å
2522E80.1Confident85Confident65.25 Ų65.2562.1 Ų62.131%0.30537%0.369SS..PPolyproline II helixtrans-68135.1176.7-76-70.9154.600111.8V2518 Y2519 E2520 T2526V2518-E2522 HydrophobicContact CG1-CB 3.96Å; V2518-E2522 HydrophobicContact CG1-CG 3.92Å; V2518-E2522 HydrophobicContact CG2-CB 4.1Å; V2518-E2522 HydrophobicContact CG2-CG 4Å; Y2519-E2522 VanDerWaalsContact O-CB 3.23Å; Y2519-E2522 WeakPolarHBondContact O-CB 3.45Å; Y2519-E2522 VanDerWaalsContact O-CG 3.29Å; Y2519-E2522 WeakPolarHBondContact O-CG 3.5Å; Y2519-E2522 PolarHBondContact O-N 3.14Å; Y2519-E2522 VanDerWaalsContact O-N 3.15Å; E2520-E2522 VanDerWaalsContact C-N 3.26Å; E2520-E2522 PolarHBondContact O-N 2.9Å; E2522-T2526 HydrophobicContact CB-CG2 4.16Å; E2522-T2526 HydrophobicContact CG-CG2 4.09Å; E2522-T2526 WeakPolarHBondContact OE2-CB 3.33Å; E2522-T2526 WeakPolarHBondContact OE2-CG2 3.23Å; E2522-T2526 PolarHBondContact OE2-OG1 3.1Å
2523P81.5Confident85.2Confident81 Ų8156.9 Ų56.953%0.52634%0.336SS..PPolyproline II helixtrans-69165.417929-35.4000112.9G2525 T2526 T2567P2523-G2525 PolarHBondContact O-N 3.06Å; P2523-T2526 WeakPolarHBondContact CD-OG1 3.28Å; P2523-T2526 WeakPolarHBondContact O-CB 2.97Å; P2523-T2526 PolarHBondContact O-N 3.06Å; P2523-T2526 PolarHBondContact O-OG1 3.1Å; P2523-T2526 VanDerWaalsContact O-OG1 3.1Å; P2523-T2567 PolarHBondContact O-OG1 2.88Å
2524A81.3Confident85.2Confident59.25 Ų59.2555.5 Ų55.549%0.4934%0.335SS..THydrogen-bonded Turntrans-62131.1168.200000110.5Q2568A2524-Q2568 WeakPolarHBondContact CB-O 3.46Å
2525G85.3Confident85.1Confident47 Ų4754.8 Ų54.849%0.48533%0.333SS..THydrogen-bonded Turntrans102.8-1.6-177.200000114.6P2523 S2527 T2567P2523-G2525 PolarHBondContact O-N 3.06Å; G2525-S2527 PolarHBondContact O-N 3.33Å; G2525-T2567 VanDerWaalsContact CA-O 3.29Å; G2525-T2567 WeakPolarHBondContact CA-O 3.27Å; G2525-T2567 PolarHBondContact N-O 3.18Å; G2525-T2567 VanDerWaalsContact N-O 3.08Å; G2525-T2567 PolarHBondContact N-OG1 3.07Å; G2525-T2567 VanDerWaalsContact N-OG1 3.14Å
2526T86.4Confident84.9Confident26 Ų2657.2 Ų57.216%0.1633%0.334CS..  trans-60.7137.2176.2-68.90000111.5V2518 E2522 P2523 T2566 T2567V2518-T2526 HydrophobicContact CG2-CG2 4.33Å; E2522-T2526 HydrophobicContact CB-CG2 4.16Å; E2522-T2526 HydrophobicContact CG-CG2 4.09Å; E2522-T2526 WeakPolarHBondContact OE2-CB 3.33Å; E2522-T2526 WeakPolarHBondContact OE2-CG2 3.23Å; E2522-T2526 PolarHBondContact OE2-OG1 3.1Å; P2523-T2526 WeakPolarHBondContact CD-OG1 3.28Å; P2523-T2526 WeakPolarHBondContact O-CB 2.97Å; P2523-T2526 PolarHBondContact O-N 3.06Å; P2523-T2526 PolarHBondContact O-OG1 3.1Å; P2523-T2526 VanDerWaalsContact O-OG1 3.1Å; T2526-T2566 CarbonylContact O-C 3.56Å; T2526-T2566 VanDerWaalsContact O-CA 3.23Å; T2526-T2566 WeakPolarHBondContact O-CA 3.39Å; T2526-T2567 PolarHBondContact N-OG1 2.95Å; T2526-T2567 VanDerWaalsContact N-OG1 3.11Å; T2526-T2567 PolarHBondContact O-N 3.14Å
2527S87.9Confident84.8Confident77.25 Ų77.2555.8 Ų55.854%0.5433%0.325SS..EExtended strand (participates in β ladder)trans-77129.8178.1-66.10000111.5G2525G2525-S2527 PolarHBondContact O-N 3.33Å
2528V87.2Confident84.6Confident12.25 Ų12.2556.7 Ų56.77%0.07432%0.322CS..EExtended strand (participates in β ladder)trans-109.3-46-168.3178.80000112.4T2516 V2518 F2556 V2565 T2567 V2599T2516-V2528 HydrophobicContact CG2-CG1 3.56Å; T2516-V2528 VanDerWaalsContact CG2-CG1 3.45Å; T2516-V2528 PolarHBondContact OG1-O 3.01Å; V2518-V2528 HydrophobicContact CG2-CG1 4.28Å; V2518-V2528 HydrophobicContact CG2-CG2 4.21Å; V2528-F2556 HydrophobicContact CB-CE1 4.48Å; V2528-F2556 HydrophobicContact CG1-CD1 4.32Å; V2528-F2556 HydrophobicContact CG1-CE1 4.21Å; V2528-F2556 HydrophobicContact CG2-CD1 4.09Å; V2528-F2556 HydrophobicContact CG2-CE1 3.96Å; V2528-V2565 WeakPolarHBondContact CA-O 3.09Å; V2528-V2565 HydrophobicContact CB-CG1 4.39Å; V2528-V2565 WeakPolarHBondContact CB-O 3.37Å; V2528-V2565 PolarHBondContact N-O 2.92Å; V2528-T2567 HydrophobicContact CG2-CG2 3.59Å; V2528-V2599 HydrophobicContact CG1-CG1 4.12Å; V2528-V2599 HydrophobicContact CG1-CG2 4.24Å
2529I88.8Confident84.3Confident33.75 Ų33.7558.7 Ų58.717%0.17335%0.345CS..EExtended strand (participates in β ladder)trans-166.1154.9174.1-169.6164.2000110F2514 T2516 M2531 V2565 L2597F2514-I2529 HydrophobicContact CB-CD1 4.1Å; F2514-I2529 HydrophobicContact CD1-CD1 4.13Å; F2514-I2529 HydrophobicContact CG-CD1 4.31Å; T2516-I2529 HydrophobicContact CG2-CB 4.28Å; T2516-I2529 HydrophobicContact CG2-CG2 4.4Å; I2529-M2531 HydrophobicContact CD1-SD 4.19Å; I2529-M2531 HydrophobicContact CG1-SD 4.28Å; I2529-M2531 HydrophobicContact CG2-CG 4.23Å; I2529-M2531 HydrophobicContact CG2-SD 4.06Å; I2529-V2565 HydrophobicContact CG2-CB 3.97Å; I2529-V2565 HydrophobicContact CG2-CG2 3.98Å; I2529-V2565 PolarHBondContact N-O 3.18Å; I2529-V2565 WeakPolarHBondContact O-CB 3.31Å; I2529-V2565 PolarHBondContact O-N 3.16Å; I2529-L2597 HydrophobicContact CD1-CD1 4.14Å; I2529-L2597 HydrophobicContact CG2-CD1 3.84Å; I2529-L2597 HydrophobicContact CG2-CD2 3.71Å; I2529-L2597 HydrophobicContact CG2-CG 4.41Å
2530T88.5Confident84.1Confident82.75 Ų82.7556.2 Ų56.251%0.50835%0.345SS..EExtended strand (participates in β ladder)trans-110.7129.3169.7-49.10000109.9S2562 G2563 L2564T2530-S2562 WeakPolarHBondContact CG2-O 3.24Å; T2530-G2563 CarbonylContact C-O 3.52Å; T2530-G2563 WeakPolarHBondContact CA-O 3.17Å; T2530-L2564 HydrophobicContact CG2-CB 4.47Å; T2530-L2564 WeakPolarHBondContact OG1-CD1 3.28Å
2531M87.4Confident84.1Confident0.75 Ų0.7555.8 Ų55.80%0.00434%0.344CS..  trans-99131.2-175.6-58.3-62.8-56.900110.9F2509 F2514 I2529 Y2546 G2563 V2565 V2581 T2595 L2597F2509-M2531 HydrophobicContact CD1-CE 4.19Å; F2509-M2531 HydrophobicContact CE1-CB 4.44Å; F2509-M2531 HydrophobicContact CE1-CE 4.05Å; F2514-M2531 HydrophobicContact CB-CE 4.48Å; F2514-M2531 HydrophobicContact CB-SD 4.48Å; F2514-M2531 HydrophobicContact CD1-CE 4.46Å; F2514-M2531 HydrophobicContact CD2-CE 3.57Å; F2514-M2531 VanDerWaalsContact CD2-CE 3.48Å; F2514-M2531 HydrophobicContact CD2-SD 4.25Å; F2514-M2531 HydrophobicContact CE2-CE 3.84Å; F2514-M2531 HydrophobicContact CG-CE 4.04Å; F2514-M2531 HydrophobicContact CG-SD 4.41Å; F2514-M2531 HydrophobicContact CZ-CE 4.43Å; I2529-M2531 HydrophobicContact CD1-SD 4.19Å; I2529-M2531 HydrophobicContact CG1-SD 4.28Å; I2529-M2531 HydrophobicContact CG2-CG 4.23Å; I2529-M2531 HydrophobicContact CG2-SD 4.06Å; M2531-Y2546 HydrophobicContact CB-CD1 4.49Å; M2531-Y2546 WeakPolarHBondContact O-CE1 3.35Å; M2531-G2563 WeakPolarHBondContact CB-O 3.33Å; M2531-G2563 PolarHBondContact N-O 3Å; M2531-V2565 HydrophobicContact CG-CG2 4.13Å; M2531-V2581 HydrophobicContact CB-CG1 3.99Å; M2531-V2581 HydrophobicContact CE-CB 4.02Å; M2531-V2581 HydrophobicContact CE-CG1 4.19Å; M2531-V2581 HydrophobicContact CE-CG2 3.83Å; M2531-V2581 HydrophobicContact CG-CB 4.48Å; M2531-V2581 HydrophobicContact CG-CG1 4Å; M2531-V2581 HydrophobicContact CG-CG2 4.03Å; M2531-V2581 HydrophobicContact SD-CG2 4.26Å; M2531-T2595 HydrophobicContact CE-CG2 3.43Å; M2531-T2595 VanDerWaalsContact CE-CG2 3.45Å; M2531-L2597 HydrophobicContact SD-CD1 4.37Å; M2531-L2597 HydrophobicContact SD-CD2 4.25Å
2532L85.6Confident84.2Confident112 Ų11253.2 Ų53.259%0.58633%0.334SS*.  trans-131.4132.5-175.1-164.272000112.8F2509 Y2546F2509-L2532 VanDerWaalsContact CD1-O 3.24Å; F2509-L2532 WeakPolarHBondContact CD1-O 3.41Å; L2532-Y2546 WeakPolarHBondContact CA-OH 3.22Å
2533A86Confident84.4Confident6.25 Ų6.2556.5 Ų56.55%0.05235%0.349CS..EExtended strand (participates in β ladder)trans-123.5165.5167.400000110.5Q2508 F2509 L2544 Y2546 A2583Q2508-A2533 CarbonylContact O-C 3.48Å; Q2508-A2533 VanDerWaalsContact O-CA 3.26Å; Q2508-A2533 WeakPolarHBondContact O-CA 3.21Å; Q2508-A2533 WeakPolarHBondContact O-CB 3.3Å; F2509-A2533 HydrophobicContact CD1-CB 3.96Å; F2509-A2533 HydrophobicContact CD2-CB 4.27Å; F2509-A2533 HydrophobicContact CE1-CB 4.02Å; F2509-A2533 HydrophobicContact CE2-CB 4.27Å; F2509-A2533 HydrophobicContact CG-CB 4.09Å; F2509-A2533 HydrophobicContact CZ-CB 4.22Å; A2533-L2544 VanDerWaalsContact C-CD1 3.48Å; A2533-L2544 HydrophobicContact CB-CD1 3.94Å; A2533-L2544 VanDerWaalsContact O-CD1 3.27Å; A2533-L2544 WeakPolarHBondContact O-CD1 3.24Å; A2533-Y2546 HydrophobicContact CB-CE1 4.05Å; A2533-Y2546 PolarHBondContact N-OH 3.06Å; A2533-Y2546 VanDerWaalsContact N-OH 3.08Å; A2533-Y2546 PolarHBondContact O-OH 3.37Å; A2533-A2583 HydrophobicContact CB-CB 3.73Å
2534T84.6Confident84.7Confident77.5 Ų77.554 Ų5448%0.47533%0.331SS..EExtended strand (participates in β ladder)trans-137.3143.2-177.653.90000112.2P2507 Q2508P2507-T2534 CarbonylContact C-O 3.46Å; P2507-T2534 VanDerWaalsContact CA-O 3.28Å; P2507-T2534 WeakPolarHBondContact CA-O 3.34Å; Q2508-T2534 PolarHBondContact N-O 3.12Å; Q2508-T2534 PolarHBondContact O-N 2.83Å; Q2508-T2534 PolarHBondContact O-OG1 3.17Å
2535D85.2Confident85.1Confident16 Ų1654.1 Ų54.19%0.08633%0.326CS..  trans-118.1168.5165.1-146.3-43.5000110.6C2505 R2506 P2507 D2537 S2542 L2544C2505-D2535 VanDerWaalsContact CB-OD1 3.29Å; C2505-D2535 WeakPolarHBondContact CB-OD1 3.37Å; R2506-D2535 VanDerWaalsContact C-CG 3.48Å; R2506-D2535 VanDerWaalsContact C-OD1 3.28Å; R2506-D2535 WeakPolarHBondContact CA-OD1 3.29Å; R2506-D2535 VanDerWaalsContact CA-OD2 3.29Å; R2506-D2535 WeakPolarHBondContact CA-OD2 3.25Å; R2506-D2535 PolarHBondContact N-OD1 3.02Å; R2506-D2535 PolarHBondContact N-OD2 2.7Å; P2507-D2535 VanDerWaalsContact CA-OD2 3.25Å; P2507-D2535 WeakPolarHBondContact CA-OD2 3.32Å; P2507-D2535 HydrophobicContact CB-CB 4.32Å; P2507-D2535 WeakPolarHBondContact CD-OD2 3.3Å; P2507-D2535 HydrophobicContact CG-CB 4.22Å; P2507-D2535 VanDerWaalsContact CG-OD2 3.28Å; P2507-D2535 WeakPolarHBondContact CG-OD2 3.23Å; P2507-D2535 VanDerWaalsContact N-OD2 3.07Å; D2535-D2537 PolarHBondContact OD1-N 2.8Å; D2535-S2542 PolarHBondContact O-OG 2.61Å; D2535-L2544 HydrophobicContact CB-CD2 4.14Å
2536Q82.5Confident85.4Confident138.5 Ų138.552.7 Ų52.765%0.64731%0.306SS*.  trans-109-18.6-175.1-62.3-65.4-90.800115.2R2465 E2466 C2505R2465-Q2536 PolarHBondContact NH2-O 2.78Å; E2466-Q2536 HydrophobicContact CB-CB 4.15Å; E2466-Q2536 HydrophobicContact CG-CB 3.47Å; E2466-Q2536 VanDerWaalsContact CG-CB 3.47Å; C2505-Q2536 HydrophobicContact CB-CB 4.01Å; C2505-Q2536 HydrophobicContact CB-CG 4.43Å
2537D85.7Confident85.6Confident9.25 Ų9.2553.9 Ų53.95%0.04932%0.315CS..SBendtrans-70.7170.7-178.9-61.9-27.8000113R2465 D2501 N2503 D2504 C2505 D2535 N2541 S2542R2465-D2537 VanDerWaalsContact NH2-C 3.31Å; D2501-D2537 VanDerWaalsContact OD1-CA 3.25Å; D2501-D2537 WeakPolarHBondContact OD1-CA 3.42Å; D2501-D2537 WeakPolarHBondContact OD1-CB 3.27Å; N2503-D2537 VanDerWaalsContact CA-OD2 3.26Å; N2503-D2537 WeakPolarHBondContact CA-OD2 3.32Å; N2503-D2537 PolarHBondContact OD1-OD2 3.29Å; N2503-D2537 VanDerWaalsContact OD1-OD2 3.07Å; D2504-D2537 PolarHBondContact N-OD1 2.92Å; D2504-D2537 PolarHBondContact N-OD2 2.74Å; C2505-D2537 WeakPolarHBondContact CA-OD2 3.4Å; C2505-D2537 WeakPolarHBondContact CB-OD1 3.23Å; C2505-D2537 WeakPolarHBondContact CB-OD2 3.25Å; C2505-D2537 VanDerWaalsContact N-CG 3.34Å; C2505-D2537 PolarHBondContact N-OD1 3.22Å; C2505-D2537 VanDerWaalsContact N-OD1 3.07Å; C2505-D2537 PolarHBondContact N-OD2 3.06Å; D2535-D2537 PolarHBondContact OD1-N 2.8Å; D2537-N2541 HydrophobicContact CB-CB 3.37Å; D2537-S2542 WeakPolarHBondContact O-CB 3.28Å; D2537-S2542 PolarHBondContact O-OG 2.91Å
2538E80Confident85.7Confident82.25 Ų82.2551.3 Ų51.338%0.38430%0.295SS..SBendtrans-94142.3178.5-156.6176.8155.800113R2465 R2498 D2501 S2540 N2541 S2542R2465-E2538 IonicContact CZ-OE2 3.37Å; R2465-E2538 IonicContact NH1-OE2 3.37Å; R2465-E2538 PolarHBondContact NH1-OE2 3.2Å; R2498-E2538 IonicContact CZ-OE1 2.72Å; R2498-E2538 IonicContact CZ-OE2 3.6Å; R2498-E2538 IonicContact NH1-OE1 3.6Å; R2498-E2538 IonicContact NH1-OE2 2.91Å; R2498-E2538 PolarHBondContact NH1-OE2 3.25Å; R2498-E2538 IonicContact NH2-OE1 3.36Å; R2498-E2538 PolarHBondContact NH2-OE1 2.84Å; R2498-E2538 IonicContact NH2-OE2 3.67Å; R2498-E2538 PolarHBondContact NH2-OE2 3.05Å; D2501-E2538 HydrophobicContact CB-CB 3.92Å; D2501-E2538 VanDerWaalsContact OD1-CB 3.27Å; D2501-E2538 WeakPolarHBondContact OD1-CB 3.48Å; D2501-E2538 PolarHBondContact OD1-N 3.15Å; D2501-E2538 VanDerWaalsContact OD2-CB 3.26Å; D2501-E2538 WeakPolarHBondContact OD2-CB 3.24Å; D2501-E2538 PolarHBondContact OD2-N 2.83Å; D2501-E2538 VanDerWaalsContact OD2-N 3.17Å; E2538-S2540 PolarHBondContact O-N 2.95Å; E2538-N2541 WeakPolarHBondContact O-CB 3.33Å; E2538-N2541 PolarHBondContact O-N 3.08Å; E2538-N2541 VanDerWaalsContact O-N 3.12Å; E2538-N2541 PolarHBondContact O-ND2 2.99Å; E2538-S2542 PolarHBondContact O-N 2.91Å
2539G80.1Confident85.7Confident51.5 Ų51.556.5 Ų56.553%0.53132%0.319SS..G310 helixtrans72.3-127.6167.100000114.5N2541 S2542 Q2543G2539-N2541 VanDerWaalsContact C-N 3.26Å; G2539-N2541 PolarHBondContact O-N 3.02Å; G2539-N2541 VanDerWaalsContact O-N 3.17Å; G2539-S2542 PolarHBondContact N-OG 3.06Å; G2539-S2542 WeakPolarHBondContact O-CB 3.01Å; G2539-S2542 PolarHBondContact O-N 3.08Å; G2539-S2542 PolarHBondContact O-OG 3.22Å; G2539-Q2543 PolarHBondContact O-N 2.78Å; G2539-Q2543 VanDerWaalsContact O-N 3.16Å
2540S79.4Confident85.4Confident69.75 Ų69.7556.2 Ų56.249%0.48832%0.324SS..G310 helixtrans-61.1-26.4-179.827.10000113.1E2538 S2542 Q2543 G2586 G2587E2538-S2540 PolarHBondContact O-N 2.95Å; S2540-S2542 VanDerWaalsContact C-N 3.3Å; S2540-S2542 PolarHBondContact O-N 3.04Å; S2540-S2542 VanDerWaalsContact O-N 3.11Å; S2540-Q2543 WeakPolarHBondContact O-CB 3.24Å; S2540-Q2543 PolarHBondContact O-N 3Å; S2540-Q2543 VanDerWaalsContact O-N 3.08Å; S2540-G2586 CarbonylContact O-C 3.58Å; S2540-G2586 VanDerWaalsContact O-C 3.32Å; S2540-G2586 WeakPolarHBondContact O-CA 3.21Å; S2540-G2586 PolarHBondContact O-N 3.01Å; S2540-G2586 VanDerWaalsContact O-N 3.1Å; S2540-G2587 PolarHBondContact O-N 2.8Å
2541N81.7Confident84.9Confident25.75 Ų25.7557.5 Ų57.514%0.13833%0.334CS..G310 helixtrans-71.2-17.4-178.3-54.7-25000111.7D2501 N2503 D2537 E2538 G2539 Q2543 D2585D2501-N2541 VanDerWaalsContact OD2-CB 3.31Å; D2501-N2541 WeakPolarHBondContact OD2-CB 3.12Å; D2501-N2541 PolarHBondContact OD2-ND2 3.31Å; N2503-N2541 HydrophobicContact CB-CB 4.24Å; N2503-N2541 WeakPolarHBondContact CB-ND2 3.31Å; N2503-N2541 VanDerWaalsContact CG-CG 3.41Å; N2503-N2541 PolarHBondContact N-ND2 2.87Å; N2503-N2541 WeakPolarHBondContact ND2-CB 3.42Å; N2503-N2541 PolarHBondContact ND2-OD1 3.11Å; N2503-N2541 VanDerWaalsContact OD1-CA 3.22Å; N2503-N2541 WeakPolarHBondContact OD1-CA 3.39Å; N2503-N2541 VanDerWaalsContact OD1-CB 3.26Å; N2503-N2541 WeakPolarHBondContact OD1-CB 3.3Å; N2503-N2541 PolarHBondContact OD1-OD1 2.83Å; D2537-N2541 HydrophobicContact CB-CB 3.37Å; E2538-N2541 WeakPolarHBondContact O-CB 3.33Å; E2538-N2541 PolarHBondContact O-N 3.08Å; E2538-N2541 VanDerWaalsContact O-N 3.12Å; E2538-N2541 PolarHBondContact O-ND2 2.99Å; G2539-N2541 VanDerWaalsContact C-N 3.26Å; G2539-N2541 PolarHBondContact O-N 3.02Å; G2539-N2541 VanDerWaalsContact O-N 3.17Å; N2541-Q2543 VanDerWaalsContact C-N 3.25Å; N2541-Q2543 PolarHBondContact O-N 3.02Å; N2541-D2585 VanDerWaalsContact O-CB 3.3Å; N2541-D2585 WeakPolarHBondContact O-CB 3.31Å
2542S82.3Confident84.2Confident43.75 Ų43.7557.9 Ų57.931%0.30634%0.339SS..G310 helixtrans-111.76.1177.492.20000115.2D2535 D2537 E2538 G2539 S2540 L2544D2535-S2542 PolarHBondContact O-OG 2.61Å; D2537-S2542 WeakPolarHBondContact O-CB 3.28Å; D2537-S2542 PolarHBondContact O-OG 2.91Å; E2538-S2542 PolarHBondContact O-N 2.91Å; G2539-S2542 PolarHBondContact N-OG 3.06Å; G2539-S2542 WeakPolarHBondContact O-CB 3.01Å; G2539-S2542 PolarHBondContact O-N 3.08Å; G2539-S2542 PolarHBondContact O-OG 3.22Å; S2540-S2542 VanDerWaalsContact C-N 3.3Å; S2540-S2542 PolarHBondContact O-N 3.04Å; S2540-S2542 VanDerWaalsContact O-N 3.11Å; S2542-L2544 WeakPolarHBondContact O-CG 3.39Å; S2542-L2544 PolarHBondContact O-N 2.87Å; S2542-L2544 VanDerWaalsContact O-N 3.14Å
2543Q84.3Confident84Confident133 Ų13356.9 Ų56.962%0.62133%0.332SS*.  trans-88.3115.2-171.5-174174.96.300113G2539 S2540 N2541 D2585 G2586G2539-Q2543 PolarHBondContact O-N 2.78Å; G2539-Q2543 VanDerWaalsContact O-N 3.16Å; S2540-Q2543 WeakPolarHBondContact O-CB 3.24Å; S2540-Q2543 PolarHBondContact O-N 3Å; S2540-Q2543 VanDerWaalsContact O-N 3.08Å; N2541-Q2543 VanDerWaalsContact C-N 3.25Å; N2541-Q2543 PolarHBondContact O-N 3.02Å; Q2543-D2585 CarbonylContact O-C 3.51Å; Q2543-D2585 VanDerWaalsContact O-C 3.26Å; Q2543-D2585 VanDerWaalsContact O-CA 3.26Å; Q2543-D2585 WeakPolarHBondContact O-CA 3.25Å; Q2543-G2586 PolarHBondContact O-N 3.23Å; Q2543-G2586 VanDerWaalsContact O-N 3.16Å
2544L88.3Confident83.9Confident28.75 Ų28.7563.6 Ų63.615%0.15136%0.362CS..  trans-102.6152.9-169.4-57.9176.4000115.5P2507 A2533 D2535 S2542 Y2546 T2584 D2585P2507-L2544 HydrophobicContact CB-CD1 4.37Å; P2507-L2544 HydrophobicContact CB-CD2 3.73Å; P2507-L2544 HydrophobicContact CG-CD2 3.65Å; P2507-L2544 VanDerWaalsContact CG-CD2 3.47Å; A2533-L2544 VanDerWaalsContact C-CD1 3.48Å; A2533-L2544 HydrophobicContact CB-CD1 3.94Å; A2533-L2544 VanDerWaalsContact O-CD1 3.27Å; A2533-L2544 WeakPolarHBondContact O-CD1 3.24Å; D2535-L2544 HydrophobicContact CB-CD2 4.14Å; S2542-L2544 WeakPolarHBondContact O-CG 3.39Å; S2542-L2544 PolarHBondContact O-N 2.87Å; S2542-L2544 VanDerWaalsContact O-N 3.14Å; L2544-Y2546 HydrophobicContact CB-CE2 4.35Å; L2544-T2584 CarbonylContact C-O 3.32Å; L2544-T2584 VanDerWaalsContact CA-O 3.26Å; L2544-T2584 WeakPolarHBondContact CA-O 3.3Å; L2544-D2585 HydrophobicContact CD2-CB 3.91Å
2545T89.9Confident84Confident62.5 Ų62.560 Ų6038%0.38334%0.34SS..EExtended strand (participates in β ladder)trans-132.6146.5172.255.60000112.6M2560 A2583 T2584T2545-M2560 CarbonylContact C-O 3.53Å; T2545-M2560 WeakPolarHBondContact CA-O 3.35Å; T2545-M2560 HydrophobicContact CG2-CG 4.26Å; T2545-M2560 HydrophobicContact CG2-SD 4.29Å; T2545-A2583 WeakPolarHBondContact O-CA 3.19Å; T2545-T2584 PolarHBondContact N-O 2.96Å; T2545-T2584 VanDerWaalsContact N-O 3.07Å; T2545-T2584 PolarHBondContact O-N 3.06Å; T2545-T2584 PolarHBondContact OG1-O 3.12Å; T2545-T2584 VanDerWaalsContact OG1-O 3.1Å
2546Y91.9Very high84.2Confident17.75 Ų17.7559.4 Ų59.47%0.0734%0.337CS..EExtended strand (participates in β ladder)trans-118.9152.5-172-60.5-79.9000116.1F2509 M2531 L2532 A2533 L2544 M2560 G2563 V2582 A2583F2509-Y2546 HydrophobicContact CE1-CD1 4.35Å; F2509-Y2546 AromaticContact CE1-CE1 3.9Å; F2509-Y2546 HydrophobicContact CE1-CE1 4.12Å; F2509-Y2546 HydrophobicContact CZ-CD1 4.19Å; F2509-Y2546 HydrophobicContact CZ-CE1 4.21Å; M2531-Y2546 HydrophobicContact CB-CD1 4.49Å; M2531-Y2546 WeakPolarHBondContact O-CE1 3.35Å; L2532-Y2546 WeakPolarHBondContact CA-OH 3.22Å; A2533-Y2546 HydrophobicContact CB-CE1 4.05Å; A2533-Y2546 PolarHBondContact N-OH 3.06Å; A2533-Y2546 VanDerWaalsContact N-OH 3.08Å; A2533-Y2546 PolarHBondContact O-OH 3.37Å; L2544-Y2546 HydrophobicContact CB-CE2 4.35Å; Y2546-M2560 WeakPolarHBondContact CD2-O 3.35Å; Y2546-M2560 PolarHBondContact N-O 3.07Å; Y2546-M2560 WeakPolarHBondContact O-CA 3.2Å; Y2546-G2563 VanDerWaalsContact CD2-CA 3.43Å; Y2546-V2582 VanDerWaalsContact CA-O 3.29Å; Y2546-V2582 WeakPolarHBondContact CA-O 3.35Å; Y2546-A2583 HydrophobicContact CD1-CB 3.94Å; Y2546-A2583 HydrophobicContact CE1-CB 3.78Å
2547S91Very high84.6Confident50.25 Ų50.2555.1 Ų55.135%0.35132%0.322SS..EExtended strand (participates in β ladder)trans-151.8162.9172.362.80000114.4V2581 V2582S2547-V2581 VanDerWaalsContact O-CA 3.28Å; S2547-V2581 WeakPolarHBondContact O-CA 3.41Å; S2547-V2581 WeakPolarHBondContact O-CG1 3.31Å; S2547-V2582 PolarHBondContact N-O 2.92Å; S2547-V2582 PolarHBondContact O-N 3.05Å
2548L90Very high84.8Confident22 Ų2256.3 Ų56.312%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-115.6141.5179.8-91.9175.1000112.6M2553 F2556 V2558 V2565 L2579 T2580 V2581L2548-M2553 WeakPolarHBondContact O-CE 3.29Å; L2548-F2556 HydrophobicContact CD1-CB 4.27Å; L2548-V2558 HydrophobicContact CB-CB 4.23Å; L2548-V2558 HydrophobicContact CB-CG1 3.85Å; L2548-V2558 HydrophobicContact CD1-CB 3.63Å; L2548-V2558 HydrophobicContact CD1-CG1 3.9Å; L2548-V2558 HydrophobicContact CD1-CG2 4.5Å; L2548-V2558 HydrophobicContact CG-CB 3.76Å; L2548-V2558 HydrophobicContact CG-CG1 3.65Å; L2548-V2558 HydrophobicContact CG-CG2 4.38Å; L2548-V2565 HydrophobicContact CD1-CG1 4.33Å; L2548-V2565 HydrophobicContact CD1-CG2 4.3Å; L2548-L2579 HydrophobicContact CD1-CD1 4.41Å; L2548-L2579 HydrophobicContact CD2-CB 4.02Å; L2548-L2579 HydrophobicContact CD2-CD1 4.2Å; L2548-L2579 HydrophobicContact CD2-CG 4.44Å; L2548-T2580 CarbonylContact C-O 3.54Å; L2548-T2580 WeakPolarHBondContact CA-O 3.32Å; L2548-T2580 WeakPolarHBondContact CD2-O 3.2Å; L2548-V2581 HydrophobicContact CD2-CG2 3.76Å; L2548-V2581 HydrophobicContact CG-CG2 4.42Å
2549E86.7Confident85.2Confident122 Ų12255.9 Ų55.957%0.5733%0.33SS*.EExtended strand (participates in β ladder)trans-137.2144.5170.2-60.8-169.915500111.5L2579 T2580 V2582E2549-L2579 CarbonylContact O-C 3.55Å; E2549-T2580 PolarHBondContact N-O 3.11Å; E2549-T2580 VanDerWaalsContact O-CA 3.29Å; E2549-T2580 WeakPolarHBondContact O-CA 3.42Å; E2549-T2580 VanDerWaalsContact O-CB 3.27Å; E2549-T2580 WeakPolarHBondContact O-CB 3.27Å; E2549-T2580 PolarHBondContact O-N 3.11Å; E2549-T2580 PolarHBondContact O-OG1 3.12Å; E2549-V2582 HydrophobicContact CG-CG2 4.22Å
2550G82.3Confident85.6Confident28 Ų2859.3 Ų59.329%0.28933%0.334SS..SBendtrans141.5172.317100000116G2552 M2553G2550-G2552 PolarHBondContact O-N 2.85Å; G2550-M2553 WeakPolarHBondContact O-CB 3.19Å; G2550-M2553 VanDerWaalsContact O-CG 3.32Å; G2550-M2553 WeakPolarHBondContact O-CG 3.34Å; G2550-M2553 PolarHBondContact O-N 3.16Å
2551P77.2Confident85.9Confident109 Ų10962 Ų6271%0.70834%0.343SS*.THydrogen-bonded Turntrans-74.6127.9175.830.2-32.3000111.4N2578P2551-N2578 VanDerWaalsContact O-O 3.08Å
2552G74.7Confident86Confident11 Ų1163.4 Ų63.411%0.11336%0.355CS..THydrogen-bonded Turntrans100.45.9-174.300000114.3G2550 E2554 A2555 F2556G2550-G2552 PolarHBondContact O-N 2.85Å; G2552-E2554 WeakPolarHBondContact CA-OE2 3.18Å; G2552-E2554 PolarHBondContact N-OE2 3.11Å; G2552-E2554 PolarHBondContact O-N 3.18Å; G2552-E2554 VanDerWaalsContact O-N 3.14Å; G2552-A2555 WeakPolarHBondContact O-CB 3.33Å; G2552-A2555 PolarHBondContact O-N 2.99Å; G2552-F2556 WeakPolarHBondContact O-CD2 3.48Å
2553M80.4Confident86.3Confident89.75 Ų89.7561.4 Ų61.444%0.44234%0.34SS..G310 helixtrans-58.6-19.2173.10.7-159.5-65.300113.3L2548 G2550 A2555 F2556 Q2568 L2579L2548-M2553 WeakPolarHBondContact O-CE 3.29Å; G2550-M2553 WeakPolarHBondContact O-CB 3.19Å; G2550-M2553 VanDerWaalsContact O-CG 3.32Å; G2550-M2553 WeakPolarHBondContact O-CG 3.34Å; G2550-M2553 PolarHBondContact O-N 3.16Å; M2553-A2555 VanDerWaalsContact C-N 3.26Å; M2553-A2555 PolarHBondContact O-N 2.85Å; M2553-A2555 VanDerWaalsContact O-N 3.13Å; M2553-F2556 CarbonylContact O-C 3.6Å; M2553-F2556 PolarHBondContact O-N 2.93Å; M2553-F2556 VanDerWaalsContact O-N 3.13Å; M2553-Q2568 PolarHBondContact O-NE2 2.98Å; M2553-Q2568 VanDerWaalsContact O-NE2 3.15Å; M2553-L2579 HydrophobicContact CB-CD2 4.3Å; M2553-L2579 HydrophobicContact CG-CD2 4.22Å
2554E84.3Confident86.6Confident147.75 Ų147.7557.4 Ų57.469%0.6932%0.323SS*.G310 helixtrans-68.1-15.6171.462.6-105.5-156.200114.4G2552 F2556G2552-E2554 WeakPolarHBondContact CA-OE2 3.18Å; G2552-E2554 PolarHBondContact N-OE2 3.11Å; G2552-E2554 PolarHBondContact O-N 3.18Å; G2552-E2554 VanDerWaalsContact O-N 3.14Å; E2554-F2556 VanDerWaalsContact C-N 3.29Å
2555A85.8Confident86.7Confident1 Ų156 Ų561%0.00832%0.316CS..G310 helixtrans-93.2-13.8175.600000113.2G2552 M2553 T2567 Q2568 L2571 F2577G2552-A2555 WeakPolarHBondContact O-CB 3.33Å; G2552-A2555 PolarHBondContact O-N 2.99Å; M2553-A2555 VanDerWaalsContact C-N 3.26Å; M2553-A2555 PolarHBondContact O-N 2.85Å; M2553-A2555 VanDerWaalsContact O-N 3.13Å; A2555-T2567 CarbonylContact O-C 3.56Å; A2555-T2567 WeakPolarHBondContact O-CA 3.41Å; A2555-Q2568 PolarHBondContact O-N 3.02Å; A2555-L2571 HydrophobicContact CB-CD2 4.18Å; A2555-F2577 HydrophobicContact CB-CD1 4.33Å; A2555-F2577 HydrophobicContact CB-CE1 3.69Å; A2555-F2577 HydrophobicContact CB-CE2 4.45Å; A2555-F2577 HydrophobicContact CB-CZ 3.88Å
2556F90.6Very high86.7Confident4.75 Ų4.7554.4 Ų54.42%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-134164.8-173.5-56.7-84.2000113.5V2528 L2548 G2552 M2553 E2554 V2565 T2566 T2567 Q2568 L2571 F2577 L2579 V2599V2528-F2556 HydrophobicContact CB-CE1 4.48Å; V2528-F2556 HydrophobicContact CG1-CD1 4.32Å; V2528-F2556 HydrophobicContact CG1-CE1 4.21Å; V2528-F2556 HydrophobicContact CG2-CD1 4.09Å; V2528-F2556 HydrophobicContact CG2-CE1 3.96Å; L2548-F2556 HydrophobicContact CD1-CB 4.27Å; G2552-F2556 WeakPolarHBondContact O-CD2 3.48Å; M2553-F2556 CarbonylContact O-C 3.6Å; M2553-F2556 PolarHBondContact O-N 2.93Å; M2553-F2556 VanDerWaalsContact O-N 3.13Å; E2554-F2556 VanDerWaalsContact C-N 3.29Å; F2556-V2565 HydrophobicContact CB-CG1 4.06Å; F2556-V2565 HydrophobicContact CD1-CG1 4.14Å; F2556-V2565 HydrophobicContact CG-CG1 4.37Å; F2556-T2566 CarbonylContact C-O 3.44Å; F2556-T2566 WeakPolarHBondContact CA-O 3.36Å; F2556-T2567 HydrophobicContact CD1-CG2 4.33Å; F2556-T2567 HydrophobicContact CE1-CG2 4.24Å; F2556-Q2568 VanDerWaalsContact O-CG 3.24Å; F2556-Q2568 WeakPolarHBondContact O-CG 2.95Å; F2556-Q2568 PolarHBondContact O-NE2 2.98Å; F2556-L2571 HydrophobicContact CZ-CD1 4.25Å; F2556-F2577 HydrophobicContact CD2-CG 4.46Å; F2556-F2577 HydrophobicContact CE2-CB 3.79Å; F2556-F2577 AromaticContact CE2-CD1 3.81Å; F2556-F2577 HydrophobicContact CE2-CD1 3.87Å; F2556-F2577 AromaticContact CE2-CD2 3.68Å; F2556-F2577 HydrophobicContact CE2-CD2 3.68Å; F2556-F2577 VanDerWaalsContact CE2-CD2 3.48Å; F2556-F2577 HydrophobicContact CE2-CE1 4.25Å; F2556-F2577 AromaticContact CE2-CE2 3.95Å; F2556-F2577 HydrophobicContact CE2-CE2 4.17Å; F2556-F2577 AromaticContact CE2-CG 3.51Å; F2556-F2577 HydrophobicContact CE2-CG 3.51Å; F2556-F2577 HydrophobicContact CE2-CZ 4.29Å; F2556-F2577 HydrophobicContact CZ-CB 4.35Å; F2556-F2577 AromaticContact CZ-CD2 3.73Å; F2556-F2577 HydrophobicContact CZ-CD2 3.73Å; F2556-F2577 HydrophobicContact CZ-CE2 4.14Å; F2556-F2577 AromaticContact CZ-CG 3.98Å; F2556-F2577 HydrophobicContact CZ-CG 4.03Å; F2556-L2579 HydrophobicContact CB-CD1 4.23Å; F2556-L2579 HydrophobicContact CD2-CD1 3.79Å; F2556-L2579 HydrophobicContact CE2-CD1 4.19Å; F2556-L2579 HydrophobicContact CG-CD1 4.16Å; F2556-V2599 HydrophobicContact CE1-CG1 4.27Å; F2556-V2599 HydrophobicContact CE1-CG2 4.39Å; F2556-V2599 HydrophobicContact CE2-CG2 4.22Å; F2556-V2599 HydrophobicContact CZ-CB 4.14Å; F2556-V2599 HydrophobicContact CZ-CG1 3.98Å; F2556-V2599 HydrophobicContact CZ-CG2 4.1Å
2557S89.3Confident86.6Confident47.25 Ų47.2553.8 Ų53.833%0.3330%0.304SS..EExtended strand (participates in β ladder)trans-141.7146.816945.70000110V2565 T2566S2557-V2565 CarbonylContact O-C 3.54Å; S2557-V2565 VanDerWaalsContact O-CA 3.25Å; S2557-V2565 WeakPolarHBondContact O-CA 3.32Å; S2557-T2566 PolarHBondContact N-O 2.96Å; S2557-T2566 VanDerWaalsContact N-O 3.13Å; S2557-T2566 PolarHBondContact O-N 3.24Å; S2557-T2566 PolarHBondContact O-OG1 3.15Å; S2557-T2566 PolarHBondContact OG-OG1 3.04Å
2558V90.8Very high86.4Confident35.5 Ų35.556.6 Ų56.622%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-115140.5172.870.10000111.2L2548 L2564 V2565L2548-V2558 HydrophobicContact CB-CB 4.23Å; L2548-V2558 HydrophobicContact CB-CG1 3.85Å; L2548-V2558 HydrophobicContact CD1-CB 3.63Å; L2548-V2558 HydrophobicContact CD1-CG1 3.9Å; L2548-V2558 HydrophobicContact CD1-CG2 4.5Å; L2548-V2558 HydrophobicContact CG-CB 3.76Å; L2548-V2558 HydrophobicContact CG-CG1 3.65Å; L2548-V2558 HydrophobicContact CG-CG2 4.38Å; V2558-L2564 CarbonylContact C-O 3.5Å; V2558-L2564 VanDerWaalsContact CA-O 3.29Å; V2558-L2564 WeakPolarHBondContact CA-O 3.21Å; V2558-L2564 WeakPolarHBondContact CG2-O 3.33Å; V2558-V2565 HydrophobicContact CB-CG2 4.25Å; V2558-V2565 HydrophobicContact CG2-CG2 3.97Å
2559D89.2Confident86.3Confident73.5 Ų73.559.8 Ų59.839%0.39332%0.322SS..  trans-81.7135.6170.6-178.7-17.1000111.6D2561 S2562 G2563 L2564D2559-D2561 VanDerWaalsContact C-N 3.28Å; D2559-D2561 PolarHBondContact O-N 2.92Å; D2559-D2561 PolarHBondContact OD1-N 3.14Å; D2559-D2561 PolarHBondContact OD2-N 3.42Å; D2559-S2562 VanDerWaalsContact CB-OG 3.24Å; D2559-S2562 WeakPolarHBondContact CB-OG 3.18Å; D2559-S2562 VanDerWaalsContact CG-OG 3.26Å; D2559-S2562 WeakPolarHBondContact OD1-CB 3.32Å; D2559-S2562 PolarHBondContact OD1-N 2.88Å; D2559-S2562 PolarHBondContact OD1-OG 3.27Å; D2559-S2562 VanDerWaalsContact OD2-CB 3.31Å; D2559-S2562 WeakPolarHBondContact OD2-CB 3.4Å; D2559-S2562 PolarHBondContact OD2-N 3.36Å; D2559-S2562 PolarHBondContact OD2-OG 2.89Å; D2559-G2563 VanDerWaalsContact O-CA 3.28Å; D2559-G2563 WeakPolarHBondContact O-CA 3.15Å; D2559-G2563 PolarHBondContact O-N 2.87Å; D2559-G2563 VanDerWaalsContact O-N 3.12Å; D2559-L2564 HydrophobicContact CB-CB 4.39Å; D2559-L2564 PolarHBondContact N-O 2.93Å
2560M88.2Confident86.1Confident122 Ų12257.8 Ų57.860%0.60132%0.32SS*.THydrogen-bonded Turntrans-73.4-32.1-170.2-121.6179.4-64.200113.7T2545 Y2546T2545-M2560 CarbonylContact C-O 3.53Å; T2545-M2560 WeakPolarHBondContact CA-O 3.35Å; T2545-M2560 HydrophobicContact CG2-CG 4.26Å; T2545-M2560 HydrophobicContact CG2-SD 4.29Å; Y2546-M2560 WeakPolarHBondContact CD2-O 3.35Å; Y2546-M2560 PolarHBondContact N-O 3.07Å; Y2546-M2560 WeakPolarHBondContact O-CA 3.2Å
2561D84.4Confident86.2Confident127.5 Ų127.556.7 Ų56.768%0.68231%0.307SS*.THydrogen-bonded Turntrans-94.6-38.3-174.4-61.1-31.9000111.3D2559D2559-D2561 VanDerWaalsContact C-N 3.28Å; D2559-D2561 PolarHBondContact O-N 2.92Å; D2559-D2561 PolarHBondContact OD1-N 3.14Å; D2559-D2561 PolarHBondContact OD2-N 3.42Å
2562S85.6Confident86.4Confident55.25 Ų55.2555.9 Ų55.939%0.38629%0.294SS..THydrogen-bonded Turntrans-95.4-16.8-178.267.30000114.8T2530 D2559 L2564T2530-S2562 WeakPolarHBondContact CG2-O 3.24Å; D2559-S2562 VanDerWaalsContact CB-OG 3.24Å; D2559-S2562 WeakPolarHBondContact CB-OG 3.18Å; D2559-S2562 VanDerWaalsContact CG-OG 3.26Å; D2559-S2562 WeakPolarHBondContact OD1-CB 3.32Å; D2559-S2562 PolarHBondContact OD1-N 2.88Å; D2559-S2562 PolarHBondContact OD1-OG 3.27Å; D2559-S2562 VanDerWaalsContact OD2-CB 3.31Å; D2559-S2562 WeakPolarHBondContact OD2-CB 3.4Å; D2559-S2562 PolarHBondContact OD2-N 3.36Å; D2559-S2562 PolarHBondContact OD2-OG 2.89Å; S2562-L2564 VanDerWaalsContact C-N 3.25Å; S2562-L2564 PolarHBondContact O-N 3.05Å; S2562-L2564 WeakPolarHBondContact OG-CB 3.36Å; S2562-L2564 PolarHBondContact OG-N 3.13Å
2563G87.3Confident86.4Confident0 Ų057 Ų570%030%0.3CS..  trans68.914.1-17500000114.3T2530 M2531 Y2546 D2559 V2565T2530-G2563 CarbonylContact C-O 3.52Å; T2530-G2563 WeakPolarHBondContact CA-O 3.17Å; M2531-G2563 WeakPolarHBondContact CB-O 3.33Å; M2531-G2563 PolarHBondContact N-O 3Å; Y2546-G2563 VanDerWaalsContact CD2-CA 3.43Å; D2559-G2563 VanDerWaalsContact O-CA 3.28Å; D2559-G2563 WeakPolarHBondContact O-CA 3.15Å; D2559-G2563 PolarHBondContact O-N 2.87Å; D2559-G2563 VanDerWaalsContact O-N 3.12Å; G2563-V2565 PolarHBondContact O-N 2.95Å
2564L90.8Very high86.3Confident49.5 Ų49.560.5 Ų60.526%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-74.4122.9-179.6177.865.4000111.8T2530 V2558 D2559 S2562 T2566T2530-L2564 HydrophobicContact CG2-CB 4.47Å; T2530-L2564 WeakPolarHBondContact OG1-CD1 3.28Å; V2558-L2564 CarbonylContact C-O 3.5Å; V2558-L2564 VanDerWaalsContact CA-O 3.29Å; V2558-L2564 WeakPolarHBondContact CA-O 3.21Å; V2558-L2564 WeakPolarHBondContact CG2-O 3.33Å; D2559-L2564 HydrophobicContact CB-CB 4.39Å; D2559-L2564 PolarHBondContact N-O 2.93Å; S2562-L2564 VanDerWaalsContact C-N 3.25Å; S2562-L2564 PolarHBondContact O-N 3.05Å; S2562-L2564 WeakPolarHBondContact OG-CB 3.36Å; S2562-L2564 PolarHBondContact OG-N 3.13Å; L2564-T2566 HydrophobicContact CD2-CG2 4.17Å; L2564-T2566 HydrophobicContact CG-CG2 4.11Å
2565V90.4Very high86.2Confident0 Ų055.3 Ų55.30%029%0.285CS..EExtended strand (participates in β ladder)trans-94.5130.8174.1-175.80000110.2V2528 I2529 M2531 L2548 F2556 S2557 V2558 G2563 L2597V2528-V2565 WeakPolarHBondContact CA-O 3.09Å; V2528-V2565 HydrophobicContact CB-CG1 4.39Å; V2528-V2565 WeakPolarHBondContact CB-O 3.37Å; V2528-V2565 PolarHBondContact N-O 2.92Å; I2529-V2565 HydrophobicContact CG2-CB 3.97Å; I2529-V2565 HydrophobicContact CG2-CG2 3.98Å; I2529-V2565 PolarHBondContact N-O 3.18Å; I2529-V2565 WeakPolarHBondContact O-CB 3.31Å; I2529-V2565 PolarHBondContact O-N 3.16Å; M2531-V2565 HydrophobicContact CG-CG2 4.13Å; L2548-V2565 HydrophobicContact CD1-CG1 4.33Å; L2548-V2565 HydrophobicContact CD1-CG2 4.3Å; F2556-V2565 HydrophobicContact CB-CG1 4.06Å; F2556-V2565 HydrophobicContact CD1-CG1 4.14Å; F2556-V2565 HydrophobicContact CG-CG1 4.37Å; S2557-V2565 CarbonylContact O-C 3.54Å; S2557-V2565 VanDerWaalsContact O-CA 3.25Å; S2557-V2565 WeakPolarHBondContact O-CA 3.32Å; V2558-V2565 HydrophobicContact CB-CG2 4.25Å; V2558-V2565 HydrophobicContact CG2-CG2 3.97Å; G2563-V2565 PolarHBondContact O-N 2.95Å; V2565-L2597 HydrophobicContact CG1-CD2 4.4Å; V2565-L2597 HydrophobicContact CG2-CD2 4.19Å
2566T90.6Very high85.9Confident28.75 Ų28.7564.1 Ų64.118%0.17632%0.318CS..EExtended strand (participates in β ladder)trans-130156.1-177.954.10000112.7T2526 F2556 S2557 L2564T2526-T2566 CarbonylContact O-C 3.56Å; T2526-T2566 VanDerWaalsContact O-CA 3.23Å; T2526-T2566 WeakPolarHBondContact O-CA 3.39Å; F2556-T2566 CarbonylContact C-O 3.44Å; F2556-T2566 WeakPolarHBondContact CA-O 3.36Å; S2557-T2566 PolarHBondContact N-O 2.96Å; S2557-T2566 VanDerWaalsContact N-O 3.13Å; S2557-T2566 PolarHBondContact O-N 3.24Å; S2557-T2566 PolarHBondContact O-OG1 3.15Å; S2557-T2566 PolarHBondContact OG-OG1 3.04Å; L2564-T2566 HydrophobicContact CD2-CG2 4.17Å; L2564-T2566 HydrophobicContact CG-CG2 4.11Å
2567T89.5Confident85.7Confident5.5 Ų5.564.9 Ų64.93%0.03432%0.321CS..EExtended strand (participates in β ladder)trans-78.4146.4175.563.50000112.7V2518 P2523 G2525 T2526 V2528 A2555 F2556 L2571V2518-T2567 HydrophobicContact CG2-CG2 4.4Å; P2523-T2567 PolarHBondContact O-OG1 2.88Å; G2525-T2567 VanDerWaalsContact CA-O 3.29Å; G2525-T2567 WeakPolarHBondContact CA-O 3.27Å; G2525-T2567 PolarHBondContact N-O 3.18Å; G2525-T2567 VanDerWaalsContact N-O 3.08Å; G2525-T2567 PolarHBondContact N-OG1 3.07Å; G2525-T2567 VanDerWaalsContact N-OG1 3.14Å; T2526-T2567 PolarHBondContact N-OG1 2.95Å; T2526-T2567 VanDerWaalsContact N-OG1 3.11Å; T2526-T2567 PolarHBondContact O-N 3.14Å; V2528-T2567 HydrophobicContact CG2-CG2 3.59Å; A2555-T2567 CarbonylContact O-C 3.56Å; A2555-T2567 WeakPolarHBondContact O-CA 3.41Å; F2556-T2567 HydrophobicContact CD1-CG2 4.33Å; F2556-T2567 HydrophobicContact CE1-CG2 4.24Å; T2567-L2571 HydrophobicContact CG2-CD1 4.22Å
2568Q87Confident85.5Confident109 Ų10966.2 Ų66.251%0.50933%0.325SS..SBendtrans-99.4-16.8173.7-68.7-145.14300114.2A2524 M2553 A2555 F2556A2524-Q2568 WeakPolarHBondContact CB-O 3.46Å; M2553-Q2568 PolarHBondContact O-NE2 2.98Å; M2553-Q2568 VanDerWaalsContact O-NE2 3.15Å; A2555-Q2568 PolarHBondContact O-N 3.02Å; F2556-Q2568 VanDerWaalsContact O-CG 3.24Å; F2556-Q2568 WeakPolarHBondContact O-CG 2.95Å; F2556-Q2568 PolarHBondContact O-NE2 2.98Å
2569R87.5Confident85.4Confident88.75 Ų88.7564.6 Ų64.634%0.33532%0.315SS..SBendtrans-152.7161.2-178.860.1167.7-179.890.1-6.4111.1L2571 E2575R2569-L2571 HydrophobicContact CG-CD2 4.46Å; R2569-L2571 PolarHBondContact O-N 2.75Å; R2569-E2575 IonicContact CZ-OE1 2.84Å; R2569-E2575 IonicContact CZ-OE2 3.33Å; R2569-E2575 IonicContact NH1-OE1 3.02Å; R2569-E2575 PolarHBondContact NH1-OE1 2.97Å; R2569-E2575 IonicContact NH1-OE2 3.25Å; R2569-E2575 PolarHBondContact NH1-OE2 3.19Å; R2569-E2575 VanDerWaalsContact NH2-CD 3.32Å; R2569-E2575 IonicContact NH2-OE1 3.27Å; R2569-E2575 PolarHBondContact NH2-OE1 3.03Å; R2569-E2575 IonicContact NH2-OE2 3.34Å; R2569-E2575 PolarHBondContact NH2-OE2 3.02Å; R2569-E2575 VanDerWaalsContact NH2-OE2 3.15Å
2570P82.5Confident85.4Confident79.75 Ų79.7563.2 Ų63.252%0.51831%0.309SS..  trans-56.3147.6162.6-21.533.9000111
2571L84.8Confident85.5Confident5.5 Ų5.557.4 Ų57.43%0.02928%0.281CS..  trans-108.9174.2-176.8-57.7178.8000109.6V2518 E2520 A2555 F2556 T2567 R2569 F2577 V2601V2518-L2571 HydrophobicContact CB-CD1 4.47Å; V2518-L2571 HydrophobicContact CG1-CD1 3.72Å; V2518-L2571 HydrophobicContact CG2-CD1 4.39Å; E2520-L2571 WeakPolarHBondContact CB-O 3.39Å; E2520-L2571 PolarHBondContact O-N 3.48Å; A2555-L2571 HydrophobicContact CB-CD2 4.18Å; F2556-L2571 HydrophobicContact CZ-CD1 4.25Å; T2567-L2571 HydrophobicContact CG2-CD1 4.22Å; R2569-L2571 HydrophobicContact CG-CD2 4.46Å; R2569-L2571 PolarHBondContact O-N 2.75Å; L2571-F2577 HydrophobicContact CD1-CE2 4.31Å; L2571-F2577 HydrophobicContact CD2-CE2 4.11Å; L2571-F2577 HydrophobicContact CD2-CZ 4.12Å; L2571-V2601 HydrophobicContact CB-CG1 3.96Å; L2571-V2601 HydrophobicContact CB-CG2 4.14Å; L2571-V2601 HydrophobicContact CD1-CG2 3.92Å
2572Q80.5Confident85.8Confident91 Ų9152.7 Ų52.743%0.42526%0.256SS..  trans-127.4145.1173.6-58.3-100-85.700108.4E2520 Y2574 E2575 V2601E2520-Q2572 WeakPolarHBondContact OE2-CA 3.44Å; Q2572-Y2574 HydrophobicContact CB-CD1 3.78Å; Q2572-Y2574 HydrophobicContact CB-CD2 4.49Å; Q2572-Y2574 HydrophobicContact CB-CE1 3.43Å; Q2572-Y2574 VanDerWaalsContact CB-CE1 3.42Å; Q2572-Y2574 HydrophobicContact CB-CE2 4.26Å; Q2572-Y2574 HydrophobicContact CB-CG 4.31Å; Q2572-Y2574 HydrophobicContact CG-CE1 3.94Å; Q2572-Y2574 PolarHBondContact O-N 2.98Å; Q2572-Y2574 PolarHBondContact OE1-OH 3.45Å; Q2572-E2575 HydrophobicContact CB-CG 4.28Å; Q2572-E2575 PolarHBondContact N-OE2 3.13Å; Q2572-E2575 WeakPolarHBondContact O-CB 3.3Å; Q2572-E2575 WeakPolarHBondContact O-CG 3.36Å; Q2572-E2575 PolarHBondContact O-N 3.02Å; Q2572-E2575 VanDerWaalsContact O-N 3.1Å; Q2572-V2601 VanDerWaalsContact O-CG1 3.3Å; Q2572-V2601 WeakPolarHBondContact O-CG1 3.32Å
2573S74.9Confident86.1Confident34.25 Ų34.2550.1 Ų50.124%0.2424%0.238CC..THydrogen-bonded Turntrans-52.9-19.8-177.151.80000115.2E2520 E2575 D2603E2520-S2573 WeakPolarHBondContact OE1-CB 3.48Å; E2520-S2573 PolarHBondContact OE1-OG 3.24Å; E2520-S2573 VanDerWaalsContact OE2-CB 3.27Å; E2520-S2573 WeakPolarHBondContact OE2-CB 3.38Å; E2520-S2573 PolarHBondContact OE2-N 2.82Å; E2520-S2573 VanDerWaalsContact OE2-N 3.14Å; E2520-S2573 PolarHBondContact OE2-OG 2.95Å; E2520-S2573 VanDerWaalsContact OE2-OG 3.05Å; S2573-E2575 VanDerWaalsContact C-N 3.33Å; S2573-E2575 PolarHBondContact O-N 3.15Å; S2573-D2603 PolarHBondContact OG-OD1 3.14Å; S2573-D2603 VanDerWaalsContact OG-OD1 3.1Å
2574Y77.8Confident86.2Confident164 Ų16452.3 Ų52.364%0.64325%0.252SS*.THydrogen-bonded Turntrans-88.2-0.4177.164.1-100.4000116Q2572Q2572-Y2574 HydrophobicContact CB-CD1 3.78Å; Q2572-Y2574 HydrophobicContact CB-CD2 4.49Å; Q2572-Y2574 HydrophobicContact CB-CE1 3.43Å; Q2572-Y2574 VanDerWaalsContact CB-CE1 3.42Å; Q2572-Y2574 HydrophobicContact CB-CE2 4.26Å; Q2572-Y2574 HydrophobicContact CB-CG 4.31Å; Q2572-Y2574 HydrophobicContact CG-CE1 3.94Å; Q2572-Y2574 PolarHBondContact O-N 2.98Å; Q2572-Y2574 PolarHBondContact OE1-OH 3.45Å
2575E82Confident86.1Confident37.75 Ų37.7550.5 Ų50.518%0.17624%0.242CC..  trans-93.4149.2-176.1-58.9-168.2107.400114.3R2569 Q2572 S2573 F2577 V2601R2569-E2575 IonicContact CZ-OE1 2.84Å; R2569-E2575 IonicContact CZ-OE2 3.33Å; R2569-E2575 IonicContact NH1-OE1 3.02Å; R2569-E2575 PolarHBondContact NH1-OE1 2.97Å; R2569-E2575 IonicContact NH1-OE2 3.25Å; R2569-E2575 PolarHBondContact NH1-OE2 3.19Å; R2569-E2575 VanDerWaalsContact NH2-CD 3.32Å; R2569-E2575 IonicContact NH2-OE1 3.27Å; R2569-E2575 PolarHBondContact NH2-OE1 3.03Å; R2569-E2575 IonicContact NH2-OE2 3.34Å; R2569-E2575 PolarHBondContact NH2-OE2 3.02Å; R2569-E2575 VanDerWaalsContact NH2-OE2 3.15Å; Q2572-E2575 HydrophobicContact CB-CG 4.28Å; Q2572-E2575 PolarHBondContact N-OE2 3.13Å; Q2572-E2575 WeakPolarHBondContact O-CB 3.3Å; Q2572-E2575 WeakPolarHBondContact O-CG 3.36Å; Q2572-E2575 PolarHBondContact O-N 3.02Å; Q2572-E2575 VanDerWaalsContact O-N 3.1Å; S2573-E2575 VanDerWaalsContact C-N 3.33Å; S2573-E2575 PolarHBondContact O-N 3.15Å; E2575-F2577 HydrophobicContact CB-CE2 3.99Å; E2575-F2577 HydrophobicContact CB-CZ 3.87Å; E2575-F2577 HydrophobicContact CG-CZ 4.33Å; E2575-V2601 HydrophobicContact CB-CG2 4.22Å; E2575-V2601 WeakPolarHBondContact O-CG2 3.39Å
2576R79.8Confident85.7Confident186.75 Ų186.7552.5 Ų52.571%0.70526%0.263SS*.EExtended strand (participates in β ladder)trans-147136.6-177-61.6-176.4176.6-128.6-10.7112.6E2600R2576-E2600 IonicContact CZ-OE1 2.68Å; R2576-E2600 IonicContact NH1-OE1 3.68Å; R2576-E2600 PolarHBondContact NH1-OE1 2.95Å; R2576-E2600 IonicContact NH2-OE1 3.83Å; R2576-E2600 PolarHBondContact NH2-OE1 2.96Å
2577F86Confident85.2Confident21 Ų2151.3 Ų51.39%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-134.5148.8-171.6-52.1-86.1000114.7A2555 F2556 L2571 E2575 L2579 L2598 V2599 V2601A2555-F2577 HydrophobicContact CB-CD1 4.33Å; A2555-F2577 HydrophobicContact CB-CE1 3.69Å; A2555-F2577 HydrophobicContact CB-CE2 4.45Å; A2555-F2577 HydrophobicContact CB-CZ 3.88Å; F2556-F2577 HydrophobicContact CD2-CG 4.46Å; F2556-F2577 HydrophobicContact CE2-CB 3.79Å; F2556-F2577 AromaticContact CE2-CD1 3.81Å; F2556-F2577 HydrophobicContact CE2-CD1 3.87Å; F2556-F2577 AromaticContact CE2-CD2 3.68Å; F2556-F2577 HydrophobicContact CE2-CD2 3.68Å; F2556-F2577 VanDerWaalsContact CE2-CD2 3.48Å; F2556-F2577 HydrophobicContact CE2-CE1 4.25Å; F2556-F2577 AromaticContact CE2-CE2 3.95Å; F2556-F2577 HydrophobicContact CE2-CE2 4.17Å; F2556-F2577 AromaticContact CE2-CG 3.51Å; F2556-F2577 HydrophobicContact CE2-CG 3.51Å; F2556-F2577 HydrophobicContact CE2-CZ 4.29Å; F2556-F2577 HydrophobicContact CZ-CB 4.35Å; F2556-F2577 AromaticContact CZ-CD2 3.73Å; F2556-F2577 HydrophobicContact CZ-CD2 3.73Å; F2556-F2577 HydrophobicContact CZ-CE2 4.14Å; F2556-F2577 AromaticContact CZ-CG 3.98Å; F2556-F2577 HydrophobicContact CZ-CG 4.03Å; L2571-F2577 HydrophobicContact CD1-CE2 4.31Å; L2571-F2577 HydrophobicContact CD2-CE2 4.11Å; L2571-F2577 HydrophobicContact CD2-CZ 4.12Å; E2575-F2577 HydrophobicContact CB-CE2 3.99Å; E2575-F2577 HydrophobicContact CB-CZ 3.87Å; E2575-F2577 HydrophobicContact CG-CZ 4.33Å; F2577-L2579 HydrophobicContact CB-CG 4.42Å; F2577-L2598 WeakPolarHBondContact O-CD1 3.46Å; F2577-V2599 HydrophobicContact CB-CB 4.26Å; F2577-V2599 HydrophobicContact CD2-CB 4.37Å; F2577-V2599 PolarHBondContact N-O 3.21Å; F2577-V2599 PolarHBondContact O-N 3.01Å; F2577-V2601 HydrophobicContact CE2-CG2 4.31Å
2578N86.2Confident84.5Confident75 Ų7560.2 Ų60.240%0.40130%0.298SS..EExtended strand (participates in β ladder)trans-144.8115.1-179.2-145.30.1000112P2551 M2596 L2597 L2598P2551-N2578 VanDerWaalsContact O-O 3.08Å; N2578-M2596 VanDerWaalsContact CG-CE 3.49Å; N2578-M2596 WeakPolarHBondContact OD1-CE 3.47Å; N2578-L2597 CarbonylContact C-O 3.4Å; N2578-L2597 WeakPolarHBondContact CA-O 3.33Å; N2578-L2597 PolarHBondContact OD1-O 3.14Å; N2578-L2597 VanDerWaalsContact OD1-O 3.13Å; N2578-L2598 HydrophobicContact CB-CD1 4.25Å; N2578-L2598 WeakPolarHBondContact OD1-CD1 3.47Å
2579L88.3Confident84Confident1 Ų159.8 Ų59.81%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-126.2166.7-166.3-58.1171.2000112.9L2548 E2549 M2553 F2556 F2577 M2596 L2597L2548-L2579 HydrophobicContact CD1-CD1 4.41Å; L2548-L2579 HydrophobicContact CD2-CB 4.02Å; L2548-L2579 HydrophobicContact CD2-CD1 4.2Å; L2548-L2579 HydrophobicContact CD2-CG 4.44Å; E2549-L2579 CarbonylContact O-C 3.55Å; M2553-L2579 HydrophobicContact CB-CD2 4.3Å; M2553-L2579 HydrophobicContact CG-CD2 4.22Å; F2556-L2579 HydrophobicContact CB-CD1 4.23Å; F2556-L2579 HydrophobicContact CD2-CD1 3.79Å; F2556-L2579 HydrophobicContact CE2-CD1 4.19Å; F2556-L2579 HydrophobicContact CG-CD1 4.16Å; F2577-L2579 HydrophobicContact CB-CG 4.42Å; L2579-M2596 CarbonylContact O-C 3.55Å; L2579-M2596 VanDerWaalsContact O-CE 3.28Å; L2579-M2596 WeakPolarHBondContact O-CE 3.28Å; L2579-L2597 HydrophobicContact CB-CB 4.31Å; L2579-L2597 HydrophobicContact CB-CD2 4.3Å; L2579-L2597 HydrophobicContact CB-CG 4.35Å; L2579-L2597 HydrophobicContact CD1-CD2 4.19Å; L2579-L2597 PolarHBondContact N-O 3.06Å; L2579-L2597 PolarHBondContact O-N 2.94Å
2580T89.2Confident84Confident44.25 Ų44.2558.9 Ų58.927%0.27131%0.31SS..EExtended strand (participates in β ladder)trans-126.8140178.4-470000111.4L2548 E2549 V2582 T2594 T2595 M2596L2548-T2580 CarbonylContact C-O 3.54Å; L2548-T2580 WeakPolarHBondContact CA-O 3.32Å; L2548-T2580 WeakPolarHBondContact CD2-O 3.2Å; E2549-T2580 PolarHBondContact N-O 3.11Å; E2549-T2580 VanDerWaalsContact O-CA 3.29Å; E2549-T2580 WeakPolarHBondContact O-CA 3.42Å; E2549-T2580 VanDerWaalsContact O-CB 3.27Å; E2549-T2580 WeakPolarHBondContact O-CB 3.27Å; E2549-T2580 PolarHBondContact O-N 3.11Å; E2549-T2580 PolarHBondContact O-OG1 3.12Å; T2580-V2582 HydrophobicContact CG2-CG2 4.39Å; T2580-T2594 HydrophobicContact CG2-CG2 4.38Å; T2580-T2595 CarbonylContact C-O 3.24Å; T2580-T2595 WeakPolarHBondContact CA-O 3.17Å; T2580-T2595 VanDerWaalsContact CG2-O 3.22Å; T2580-T2595 WeakPolarHBondContact CG2-O 3.36Å; T2580-M2596 HydrophobicContact CG2-CG 4.48Å; T2580-M2596 HydrophobicContact CG2-SD 4.06Å; T2580-M2596 PolarHBondContact OG1-SD 3.13Å
2581V90.5Very high84.2Confident0.75 Ų0.7556.7 Ų56.71%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-123.8143.7-177-175.60000112F2509 M2531 S2547 L2548 T2594 T2595 L2597F2509-V2581 HydrophobicContact CE1-CG1 4.28Å; F2509-V2581 HydrophobicContact CZ-CB 4.38Å; F2509-V2581 HydrophobicContact CZ-CG1 4.03Å; M2531-V2581 HydrophobicContact CB-CG1 3.99Å; M2531-V2581 HydrophobicContact CE-CB 4.02Å; M2531-V2581 HydrophobicContact CE-CG1 4.19Å; M2531-V2581 HydrophobicContact CE-CG2 3.83Å; M2531-V2581 HydrophobicContact CG-CB 4.48Å; M2531-V2581 HydrophobicContact CG-CG1 4Å; M2531-V2581 HydrophobicContact CG-CG2 4.03Å; M2531-V2581 HydrophobicContact SD-CG2 4.26Å; S2547-V2581 VanDerWaalsContact O-CA 3.28Å; S2547-V2581 WeakPolarHBondContact O-CA 3.41Å; S2547-V2581 WeakPolarHBondContact O-CG1 3.31Å; L2548-V2581 HydrophobicContact CD2-CG2 3.76Å; L2548-V2581 HydrophobicContact CG-CG2 4.42Å; V2581-T2594 CarbonylContact O-C 3.54Å; V2581-T2594 VanDerWaalsContact O-CA 3.27Å; V2581-T2594 WeakPolarHBondContact O-CA 3.42Å; V2581-T2595 HydrophobicContact CB-CG2 3.99Å; V2581-T2595 HydrophobicContact CG1-CG2 4.38Å; V2581-T2595 HydrophobicContact CG2-CG2 4.48Å; V2581-T2595 PolarHBondContact N-O 3.09Å; V2581-T2595 PolarHBondContact O-N 3.06Å; V2581-L2597 HydrophobicContact CG2-CB 4.09Å; V2581-L2597 HydrophobicContact CG2-CD2 4.08Å
2582V91.6Very high84.4Confident28.5 Ų28.564.5 Ų64.517%0.17332%0.323CS..EExtended strand (participates in β ladder)trans-126.4145.2-176.8-1740000111.4F2509 Y2546 S2547 E2549 T2580 W2592 G2593 T2594F2509-V2582 VanDerWaalsContact CZ-C 3.5Å; Y2546-V2582 VanDerWaalsContact CA-O 3.29Å; Y2546-V2582 WeakPolarHBondContact CA-O 3.35Å; S2547-V2582 PolarHBondContact N-O 2.92Å; S2547-V2582 PolarHBondContact O-N 3.05Å; E2549-V2582 HydrophobicContact CG-CG2 4.22Å; T2580-V2582 HydrophobicContact CG2-CG2 4.39Å; V2582-W2592 HydrophobicContact CG1-CB 4.31Å; V2582-W2592 HydrophobicContact CG1-CE3 4.44Å; V2582-G2593 WeakPolarHBondContact CA-O 3.19Å; V2582-T2594 HydrophobicContact CB-CG2 4.32Å; V2582-T2594 HydrophobicContact CG1-CG2 4.07Å; V2582-T2594 HydrophobicContact CG2-CG2 3.98Å
2583A90.7Very high84.8Confident0.75 Ų0.7560.9 Ų60.91%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-133.6143.117200000113.3P2507 F2509 A2533 T2545 Y2546 W2592 G2593P2507-A2583 HydrophobicContact CB-CB 3.67Å; P2507-A2583 WeakPolarHBondContact CB-O 3.47Å; F2509-A2583 HydrophobicContact CD2-CB 4.4Å; F2509-A2583 HydrophobicContact CE1-CB 4.45Å; F2509-A2583 HydrophobicContact CE2-CB 3.6Å; F2509-A2583 VanDerWaalsContact CE2-CB 3.46Å; F2509-A2583 HydrophobicContact CZ-CB 3.52Å; F2509-A2583 VanDerWaalsContact CZ-CB 3.45Å; A2533-A2583 HydrophobicContact CB-CB 3.73Å; T2545-A2583 WeakPolarHBondContact O-CA 3.19Å; Y2546-A2583 HydrophobicContact CD1-CB 3.94Å; Y2546-A2583 HydrophobicContact CE1-CB 3.78Å; A2583-W2592 CarbonylContact O-C 3.56Å; A2583-W2592 VanDerWaalsContact O-CA 3.31Å; A2583-W2592 WeakPolarHBondContact O-CA 3.25Å; A2583-W2592 VanDerWaalsContact O-CB 3.3Å; A2583-W2592 WeakPolarHBondContact O-CB 3.36Å; A2583-G2593 PolarHBondContact N-O 2.98Å; A2583-G2593 PolarHBondContact O-N 3.07Å
2584T90.1Very high85.6Confident45.75 Ų45.7563.5 Ų63.528%0.28133%0.325SS..EExtended strand (participates in β ladder)trans-143.1140.2-175.3-57.10000111.8L2544 T2545 P2590 L2591 W2592L2544-T2584 CarbonylContact C-O 3.32Å; L2544-T2584 VanDerWaalsContact CA-O 3.26Å; L2544-T2584 WeakPolarHBondContact CA-O 3.3Å; T2545-T2584 PolarHBondContact N-O 2.96Å; T2545-T2584 VanDerWaalsContact N-O 3.07Å; T2545-T2584 PolarHBondContact O-N 3.06Å; T2545-T2584 PolarHBondContact OG1-O 3.12Å; T2545-T2584 VanDerWaalsContact OG1-O 3.1Å; T2584-P2590 HydrophobicContact CG2-CB 4.37Å; T2584-L2591 WeakPolarHBondContact CA-O 3.4Å; T2584-L2591 WeakPolarHBondContact CG2-O 3.43Å; T2584-W2592 HydrophobicContact CG2-CB 4.12Å; T2584-W2592 VanDerWaalsContact OG1-CB 3.29Å; T2584-W2592 WeakPolarHBondContact OG1-CB 3.39Å
2585D88.7Confident86.2Confident12 Ų1256 Ų566%0.06430%0.297CS..  trans-86.3179178.572.158.4000115.9N2503 P2507 N2541 Q2543 L2544 G2587 P2590 L2591N2503-D2585 PolarHBondContact ND2-OD2 3.1Å; P2507-D2585 VanDerWaalsContact CD-OD2 3.25Å; P2507-D2585 WeakPolarHBondContact CD-OD2 3.37Å; P2507-D2585 HydrophobicContact CG-CB 3.86Å; P2507-D2585 WeakPolarHBondContact CG-OD2 3.27Å; N2541-D2585 VanDerWaalsContact O-CB 3.3Å; N2541-D2585 WeakPolarHBondContact O-CB 3.31Å; Q2543-D2585 CarbonylContact O-C 3.51Å; Q2543-D2585 VanDerWaalsContact O-C 3.26Å; Q2543-D2585 VanDerWaalsContact O-CA 3.26Å; Q2543-D2585 WeakPolarHBondContact O-CA 3.25Å; L2544-D2585 HydrophobicContact CD2-CB 3.91Å; D2585-G2587 PolarHBondContact OD1-N 2.99Å; D2585-P2590 WeakPolarHBondContact OD1-CA 3.29Å; D2585-P2590 VanDerWaalsContact OD1-CB 3.27Å; D2585-P2590 WeakPolarHBondContact OD1-CB 3.25Å; D2585-L2591 VanDerWaalsContact CG-N 3.3Å; D2585-L2591 VanDerWaalsContact CG-O 3.27Å; D2585-L2591 PolarHBondContact N-O 2.93Å; D2585-L2591 PolarHBondContact OD1-N 3.03Å; D2585-L2591 VanDerWaalsContact OD1-N 3.14Å; D2585-L2591 WeakPolarHBondContact OD2-CA 3.33Å; D2585-L2591 WeakPolarHBondContact OD2-CB 3.31Å; D2585-L2591 PolarHBondContact OD2-N 2.93Å
2586G82.4Confident86.5Confident41.5 Ų41.557.4 Ų57.443%0.42830%0.304SS..  trans-113.718.8179.900000116.1S2540 Q2543S2540-G2586 CarbonylContact O-C 3.58Å; S2540-G2586 VanDerWaalsContact O-C 3.32Å; S2540-G2586 WeakPolarHBondContact O-CA 3.21Å; S2540-G2586 PolarHBondContact O-N 3.01Å; S2540-G2586 VanDerWaalsContact O-N 3.1Å; Q2543-G2586 PolarHBondContact O-N 3.23Å; Q2543-G2586 VanDerWaalsContact O-N 3.16Å
2587G78.8Confident86.9Confident4.5 Ų4.548.5 Ų48.55%0.04627%0.27CS..  trans-69.4162.7179.200000114.1N2503 S2540 D2585 P2589 P2590N2503-G2587 WeakPolarHBondContact OD1-CA 3.42Å; S2540-G2587 PolarHBondContact O-N 2.8Å; D2585-G2587 PolarHBondContact OD1-N 2.99Å; G2587-P2589 VanDerWaalsContact C-C 3.43Å; G2587-P2589 CarbonylContact C-O 3.44Å; G2587-P2589 CarbonylContact O-C 3.52Å; G2587-P2589 WeakPolarHBondContact O-CA 3.34Å; G2587-P2590 WeakPolarHBondContact O-CA 3.38Å; G2587-P2590 VanDerWaalsContact O-CB 3.26Å; G2587-P2590 WeakPolarHBondContact O-CB 3.3Å; G2587-P2590 VanDerWaalsContact O-CD 3.27Å; G2587-P2590 WeakPolarHBondContact O-CD 3.34Å; G2587-P2590 VanDerWaalsContact O-N 3.14Å
2588E75.8Confident87Confident192 Ų19250.5 Ų50.590%0.89728%0.282SS*.SBendtrans-114.391.8167.4-73.6-160.4162.100110.1
2589P77Confident87.1Confident100.75 Ų100.7547 Ų4765%0.65426%0.263SS*.SBendcis-91.6154.21035.9-35000115.3N2503 G2587N2503-P2589 PolarHBondContact ND2-O 2.78Å; G2587-P2589 VanDerWaalsContact C-C 3.43Å; G2587-P2589 CarbonylContact C-O 3.44Å; G2587-P2589 CarbonylContact O-C 3.52Å; G2587-P2589 WeakPolarHBondContact O-CA 3.34Å
2590P86.1Confident86.8Confident70.25 Ų70.2551.6 Ų51.646%0.45628%0.284SS..  trans-94.3157-172.735.2-35.4000115.9T2584 D2585 G2587T2584-P2590 HydrophobicContact CG2-CB 4.37Å; D2585-P2590 WeakPolarHBondContact OD1-CA 3.29Å; D2585-P2590 VanDerWaalsContact OD1-CB 3.27Å; D2585-P2590 WeakPolarHBondContact OD1-CB 3.25Å; G2587-P2590 WeakPolarHBondContact O-CA 3.38Å; G2587-P2590 VanDerWaalsContact O-CB 3.26Å; G2587-P2590 WeakPolarHBondContact O-CB 3.3Å; G2587-P2590 VanDerWaalsContact O-CD 3.27Å; G2587-P2590 WeakPolarHBondContact O-CD 3.34Å; G2587-P2590 VanDerWaalsContact O-N 3.14Å
2591L87.2Confident86.5Confident33 Ų3350.2 Ų50.217%0.17328%0.276CS..  trans-133.5168-170.4-42.2163.8000111.6N2503 C2505 R2506 T2584 D2585N2503-L2591 WeakPolarHBondContact ND2-CD1 3.2Å; N2503-L2591 WeakPolarHBondContact ND2-CG 3.25Å; C2505-L2591 VanDerWaalsContact O-CD1 3.29Å; C2505-L2591 WeakPolarHBondContact O-CD1 3.45Å; R2506-L2591 HydrophobicContact CB-CB 3.52Å; R2506-L2591 HydrophobicContact CB-CD1 4.21Å; R2506-L2591 HydrophobicContact CB-CG 4.27Å; R2506-L2591 HydrophobicContact CG-CB 4.12Å; R2506-L2591 HydrophobicContact CG-CD1 3.75Å; R2506-L2591 VanDerWaalsContact CG-CD1 3.47Å; R2506-L2591 HydrophobicContact CG-CD2 4.45Å; R2506-L2591 HydrophobicContact CG-CG 4.18Å; T2584-L2591 WeakPolarHBondContact CA-O 3.4Å; T2584-L2591 WeakPolarHBondContact CG2-O 3.43Å; D2585-L2591 VanDerWaalsContact CG-N 3.3Å; D2585-L2591 VanDerWaalsContact CG-O 3.27Å; D2585-L2591 PolarHBondContact N-O 2.93Å; D2585-L2591 PolarHBondContact OD1-N 3.03Å; D2585-L2591 VanDerWaalsContact OD1-N 3.14Å; D2585-L2591 WeakPolarHBondContact OD2-CA 3.33Å; D2585-L2591 WeakPolarHBondContact OD2-CB 3.31Å; D2585-L2591 PolarHBondContact OD2-N 2.93Å
2592W89.6Confident85.9Confident168.75 Ų168.7553.1 Ų53.164%0.63929%0.291SS*.EExtended strand (participates in β ladder)trans-159.7165.7-170.667.385.3000117.6V2582 A2583 T2584 T2594V2582-W2592 HydrophobicContact CG1-CB 4.31Å; V2582-W2592 HydrophobicContact CG1-CE3 4.44Å; A2583-W2592 CarbonylContact O-C 3.56Å; A2583-W2592 VanDerWaalsContact O-CA 3.31Å; A2583-W2592 WeakPolarHBondContact O-CA 3.25Å; A2583-W2592 VanDerWaalsContact O-CB 3.3Å; A2583-W2592 WeakPolarHBondContact O-CB 3.36Å; T2584-W2592 HydrophobicContact CG2-CB 4.12Å; T2584-W2592 VanDerWaalsContact OG1-CB 3.29Å; T2584-W2592 WeakPolarHBondContact OG1-CB 3.39Å; W2592-T2594 HydrophobicContact CE3-CG2 3.97Å; W2592-T2594 HydrophobicContact CZ3-CG2 3.72Å
2593G88.7Confident85.3Confident16 Ų1654.2 Ų54.217%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-152.4174.3177.300000117P2507 F2509 V2582 A2583P2507-G2593 WeakPolarHBondContact O-CA 3.34Å; F2509-G2593 WeakPolarHBondContact CE2-O 3.48Å; V2582-G2593 WeakPolarHBondContact CA-O 3.19Å; A2583-G2593 PolarHBondContact N-O 2.98Å; A2583-G2593 PolarHBondContact O-N 3.07Å
2594T90.8Very high84.7Confident89.25 Ų89.2556.2 Ų56.255%0.54831%0.308SS..EExtended strand (participates in β ladder)trans-146.7159.4-172.261.50000117F2509 T2580 V2581 V2582 W2592F2509-T2594 VanDerWaalsContact CD2-C 3.46Å; F2509-T2594 VanDerWaalsContact CD2-CA 3.49Å; F2509-T2594 VanDerWaalsContact CD2-N 3.31Å; F2509-T2594 WeakPolarHBondContact CD2-O 3.43Å; F2509-T2594 VanDerWaalsContact CE2-CA 3.47Å; T2580-T2594 HydrophobicContact CG2-CG2 4.38Å; V2581-T2594 CarbonylContact O-C 3.54Å; V2581-T2594 VanDerWaalsContact O-CA 3.27Å; V2581-T2594 WeakPolarHBondContact O-CA 3.42Å; V2582-T2594 HydrophobicContact CB-CG2 4.32Å; V2582-T2594 HydrophobicContact CG1-CG2 4.07Å; V2582-T2594 HydrophobicContact CG2-CG2 3.98Å; W2592-T2594 HydrophobicContact CE3-CG2 3.97Å; W2592-T2594 HydrophobicContact CZ3-CG2 3.72Å
2595T90.7Very high84.2Confident7 Ų754.8 Ų54.84%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-155.5171.4175.6-166.70000115.6F2509 K2511 P2512 F2514 M2531 T2580 V2581F2509-T2595 HydrophobicContact CB-CG2 4.15Å; F2509-T2595 HydrophobicContact CD1-CG2 3.61Å; F2509-T2595 VanDerWaalsContact CD1-CG2 3.49Å; F2509-T2595 HydrophobicContact CD2-CG2 4.03Å; F2509-T2595 HydrophobicContact CE1-CG2 3.77Å; F2509-T2595 HydrophobicContact CE2-CG2 4.19Å; F2509-T2595 HydrophobicContact CG-CG2 3.82Å; F2509-T2595 VanDerWaalsContact CG-CG2 3.46Å; F2509-T2595 HydrophobicContact CZ-CG2 4.09Å; K2511-T2595 WeakPolarHBondContact O-CB 3.49Å; K2511-T2595 PolarHBondContact O-OG1 3.09Å; P2512-T2595 VanDerWaalsContact C-OG1 3.22Å; P2512-T2595 PolarHBondContact O-OG1 3.21Å; P2512-T2595 VanDerWaalsContact O-OG1 3.05Å; F2514-T2595 HydrophobicContact CD2-CG2 4.12Å; F2514-T2595 WeakPolarHBondContact CD2-OG1 3.3Å; F2514-T2595 HydrophobicContact CE2-CG2 4Å; F2514-T2595 WeakPolarHBondContact CE2-OG1 3.38Å; M2531-T2595 HydrophobicContact CE-CG2 3.43Å; M2531-T2595 VanDerWaalsContact CE-CG2 3.45Å; T2580-T2595 CarbonylContact C-O 3.24Å; T2580-T2595 WeakPolarHBondContact CA-O 3.17Å; T2580-T2595 VanDerWaalsContact CG2-O 3.22Å; T2580-T2595 WeakPolarHBondContact CG2-O 3.36Å; V2581-T2595 HydrophobicContact CB-CG2 3.99Å; V2581-T2595 HydrophobicContact CG1-CG2 4.38Å; V2581-T2595 HydrophobicContact CG2-CG2 4.48Å; V2581-T2595 PolarHBondContact N-O 3.09Å; V2581-T2595 PolarHBondContact O-N 3.06Å
2596M87.9Confident83.7Confident66.25 Ų66.2559.7 Ų59.733%0.32633%0.325SS..EExtended strand (participates in β ladder)trans-108.3153.4-179.5-74.3-85.8-3700114.5P2512 Q2513 F2514 N2578 L2579 T2580P2512-M2596 PolarHBondContact O-N 2.99Å; P2512-M2596 VanDerWaalsContact O-N 3.09Å; Q2513-M2596 CarbonylContact C-O 3.5Å; Q2513-M2596 VanDerWaalsContact CA-O 3.32Å; Q2513-M2596 WeakPolarHBondContact CA-O 3.38Å; Q2513-M2596 HydrophobicContact CB-CB 4.14Å; Q2513-M2596 HydrophobicContact CG-CB 4.02Å; F2514-M2596 WeakPolarHBondContact CB-O 3.45Å; F2514-M2596 WeakPolarHBondContact CD2-O 3.47Å; F2514-M2596 PolarHBondContact N-O 3.1Å; N2578-M2596 VanDerWaalsContact CG-CE 3.49Å; N2578-M2596 WeakPolarHBondContact OD1-CE 3.47Å; L2579-M2596 CarbonylContact O-C 3.55Å; L2579-M2596 VanDerWaalsContact O-CE 3.28Å; L2579-M2596 WeakPolarHBondContact O-CE 3.28Å; T2580-M2596 HydrophobicContact CG2-CG 4.48Å; T2580-M2596 HydrophobicContact CG2-SD 4.06Å; T2580-M2596 PolarHBondContact OG1-SD 3.13Å
2597L89.7Confident83.4Confident0.25 Ų0.2560.4 Ų60.40%0.00132%0.318CS..EExtended strand (participates in β ladder)trans-138.4126.9178.6173.861000113.9F2514 T2516 I2529 M2531 V2565 N2578 L2579 V2581 V2599F2514-L2597 HydrophobicContact CB-CD1 4.07Å; F2514-L2597 CarbonylContact O-C 3.56Å; F2514-L2597 WeakPolarHBondContact O-CA 3.44Å; T2516-L2597 HydrophobicContact CG2-CD1 4.18Å; I2529-L2597 HydrophobicContact CD1-CD1 4.14Å; I2529-L2597 HydrophobicContact CG2-CD1 3.84Å; I2529-L2597 HydrophobicContact CG2-CD2 3.71Å; I2529-L2597 HydrophobicContact CG2-CG 4.41Å; M2531-L2597 HydrophobicContact SD-CD1 4.37Å; M2531-L2597 HydrophobicContact SD-CD2 4.25Å; V2565-L2597 HydrophobicContact CG1-CD2 4.4Å; V2565-L2597 HydrophobicContact CG2-CD2 4.19Å; N2578-L2597 CarbonylContact C-O 3.4Å; N2578-L2597 WeakPolarHBondContact CA-O 3.33Å; N2578-L2597 PolarHBondContact OD1-O 3.14Å; N2578-L2597 VanDerWaalsContact OD1-O 3.13Å; L2579-L2597 HydrophobicContact CB-CB 4.31Å; L2579-L2597 HydrophobicContact CB-CD2 4.3Å; L2579-L2597 HydrophobicContact CB-CG 4.35Å; L2579-L2597 HydrophobicContact CD1-CD2 4.19Å; L2579-L2597 PolarHBondContact N-O 3.06Å; L2579-L2597 PolarHBondContact O-N 2.94Å; V2581-L2597 HydrophobicContact CG2-CB 4.09Å; V2581-L2597 HydrophobicContact CG2-CD2 4.08Å; L2597-V2599 HydrophobicContact CD1-CG2 4.3Å; L2597-V2599 HydrophobicContact CD2-CG2 4.35Å; L2597-V2599 HydrophobicContact CG-CG2 4.14Å
2598L88Confident83.7Confident64 Ų6467.1 Ų67.134%0.33534%0.342SS..EExtended strand (participates in β ladder)trans-110.6136.9175.8179.872.4000111.6F2514 S2515 T2516 F2577 N2578F2514-L2598 PolarHBondContact O-N 3.21Å; S2515-L2598 CarbonylContact C-O 3.47Å; S2515-L2598 VanDerWaalsContact CA-O 3.26Å; S2515-L2598 WeakPolarHBondContact CA-O 3.38Å; T2516-L2598 PolarHBondContact N-O 3.06Å; F2577-L2598 WeakPolarHBondContact O-CD1 3.46Å; N2578-L2598 HydrophobicContact CB-CD1 4.25Å; N2578-L2598 WeakPolarHBondContact OD1-CD1 3.47Å
2599V87.2Confident84.3Confident1 Ų158 Ų581%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-128.7129.8177.8-166.70000112.4T2516 V2518 V2528 F2556 F2577 L2597T2516-V2599 HydrophobicContact CG2-CB 4.39Å; T2516-V2599 HydrophobicContact CG2-CG1 4.26Å; T2516-V2599 HydrophobicContact CG2-CG2 4.02Å; T2516-V2599 WeakPolarHBondContact O-CA 3.32Å; V2518-V2599 HydrophobicContact CG1-CG1 4.22Å; V2518-V2599 HydrophobicContact CG2-CG1 4.32Å; V2528-V2599 HydrophobicContact CG1-CG1 4.12Å; V2528-V2599 HydrophobicContact CG1-CG2 4.24Å; F2556-V2599 HydrophobicContact CE1-CG1 4.27Å; F2556-V2599 HydrophobicContact CE1-CG2 4.39Å; F2556-V2599 HydrophobicContact CE2-CG2 4.22Å; F2556-V2599 HydrophobicContact CZ-CB 4.14Å; F2556-V2599 HydrophobicContact CZ-CG1 3.98Å; F2556-V2599 HydrophobicContact CZ-CG2 4.1Å; F2577-V2599 HydrophobicContact CB-CB 4.26Å; F2577-V2599 HydrophobicContact CD2-CB 4.37Å; F2577-V2599 PolarHBondContact N-O 3.21Å; F2577-V2599 PolarHBondContact O-N 3.01Å; L2597-V2599 HydrophobicContact CD1-CG2 4.3Å; L2597-V2599 HydrophobicContact CD2-CG2 4.35Å; L2597-V2599 HydrophobicContact CG-CG2 4.14Å
2600E81.9Confident84.7Confident97.25 Ų97.2557.3 Ų57.345%0.45429%0.293SS..EExtended strand (participates in β ladder)trans-116.7144.7178.2-156.7166.5-152.400112.2T2516 S2517 V2518 R2576T2516-E2600 PolarHBondContact O-N 3.01Å; S2517-E2600 CarbonylContact C-O 3.56Å; S2517-E2600 WeakPolarHBondContact CA-O 3.46Å; S2517-E2600 VanDerWaalsContact CB-O 3.31Å; S2517-E2600 WeakPolarHBondContact CB-O 3.34Å; V2518-E2600 PolarHBondContact N-O 3.17Å; V2518-E2600 VanDerWaalsContact N-O 3.16Å; R2576-E2600 IonicContact CZ-OE1 2.68Å; R2576-E2600 IonicContact NH1-OE1 3.68Å; R2576-E2600 PolarHBondContact NH1-OE1 2.95Å; R2576-E2600 IonicContact NH2-OE1 3.83Å; R2576-E2600 PolarHBondContact NH2-OE1 2.96Å
2601V82.6Confident84.8Confident14.3333 Ų14.333355.4 Ų55.49%0.08728%0.278CS..EExtended strand (participates in β ladder)trans-114.3143.4-176.4-169.20000112V2518 E2520 L2571 Q2572 E2575 F2577V2518-V2601 HydrophobicContact CG1-CG2 4.21Å; V2518-V2601 CarbonylContact O-C 3.53Å; V2518-V2601 VanDerWaalsContact O-CA 3.25Å; V2518-V2601 WeakPolarHBondContact O-CA 3.42Å; E2520-V2601 HydrophobicContact CB-CG1 3.94Å; L2571-V2601 HydrophobicContact CB-CG1 3.96Å; L2571-V2601 HydrophobicContact CB-CG2 4.14Å; L2571-V2601 HydrophobicContact CD1-CG2 3.92Å; Q2572-V2601 VanDerWaalsContact O-CG1 3.3Å; Q2572-V2601 WeakPolarHBondContact O-CG1 3.32Å; E2575-V2601 HydrophobicContact CB-CG2 4.22Å; E2575-V2601 WeakPolarHBondContact O-CG2 3.39Å; F2577-V2601 HydrophobicContact CE2-CG2 4.31Å
2602I77.9Confident84.8Confident63 Ų6357.9 Ų57.932%0.32329%0.294SS..EExtended strand (participates in β ladder)trans-122.7135.8-171.2-52.1175.3000112.4V2518 Y2519 E2520V2518-I2602 PolarHBondContact O-N 3.33Å; Y2519-I2602 WeakPolarHBondContact CA-O 3.25Å; Y2519-I2602 HydrophobicContact CD1-CB 3.79Å; Y2519-I2602 HydrophobicContact CD1-CD1 4.11Å; Y2519-I2602 HydrophobicContact CD1-CG1 4.49Å; Y2519-I2602 HydrophobicContact CD1-CG2 3.82Å; Y2519-I2602 HydrophobicContact CE1-CB 4.2Å; Y2519-I2602 HydrophobicContact CE1-CD1 4.16Å; Y2519-I2602 HydrophobicContact CE1-CG2 3.88Å; E2520-I2602 PolarHBondContact N-O 3.24Å
2603D78.9Confident84.6Confident50 Ų5055 Ų5527%0.26728%0.284SS..  trans-74.6153.6177.8179.988.4000114.4E2520 S2573 N2645E2520-D2603 VanDerWaalsContact OE1-CA 3.25Å; E2520-D2603 WeakPolarHBondContact OE1-CA 3.39Å; S2573-D2603 PolarHBondContact OG-OD1 3.14Å; S2573-D2603 VanDerWaalsContact OG-OD1 3.1Å; D2603-N2645 PolarHBondContact OD2-ND2 2.82Å
2604V77.8Confident84.4Confident44.3333 Ų44.333354.4 Ų54.427%0.26928%0.277SS..  trans-140.4134.8-177.8-176.90000112.7Y2519 E2520 D2606Y2519-V2604 HydrophobicContact CD1-CG2 3.85Å; Y2519-V2604 HydrophobicContact CG-CG2 4.32Å; E2520-V2604 PolarHBondContact OE1-N 3.39Å; V2604-D2606 PolarHBondContact O-N 2.94Å; V2604-D2606 VanDerWaalsContact O-N 3.14Å
2605N79.8Confident84.1Confident14.3333 Ų14.333354.2 Ų54.28%0.07728%0.277CS..  trans-65.7106.8177.8-161.159.5000112.7D2641 N2645 D2695 G2697 V2700 Y2702N2605-D2641 WeakPolarHBondContact CA-OD2 3.41Å; N2605-D2641 PolarHBondContact OD1-OD2 3.24Å; N2605-N2645 HydrophobicContact CB-CB 4.15Å; N2605-N2645 PolarHBondContact N-ND2 3.13Å; N2605-N2645 VanDerWaalsContact OD1-CA 3.28Å; N2605-N2645 WeakPolarHBondContact OD1-CA 3.37Å; N2605-N2645 WeakPolarHBondContact OD1-CB 3.23Å; N2605-N2645 PolarHBondContact OD1-O 3.1Å; N2605-N2645 PolarHBondContact OD1-OD1 3.44Å; N2605-D2695 PolarHBondContact ND2-OD2 2.85Å; N2605-D2695 VanDerWaalsContact ND2-OD2 3.13Å; N2605-G2697 VanDerWaalsContact CG-CA 3.44Å; N2605-G2697 WeakPolarHBondContact OD1-CA 3.46Å; N2605-V2700 PolarHBondContact ND2-O 3.15Å; N2605-Y2702 HydrophobicContact CB-CE2 4.33Å; N2605-Y2702 VanDerWaalsContact ND2-CD2 3.29Å; N2605-Y2702 WeakPolarHBondContact ND2-CD2 3.43Å; N2605-Y2702 WeakPolarHBondContact ND2-CE2 3.36Å; N2605-Y2702 WeakPolarHBondContact O-CE2 3.35Å; N2605-Y2702 PolarHBondContact O-OH 2.96Å
2606D78.5Confident83.5Confident116 Ų11659.8 Ų59.862%0.6231%0.306SS*.  trans-133.2-7.3-173.6105.1-19.7000115.6V2604 D2641V2604-D2606 PolarHBondContact O-N 2.94Å; V2604-D2606 VanDerWaalsContact O-N 3.14Å; D2606-D2641 PolarHBondContact N-OD2 2.91Å
2607N76.1Confident83.1Confident55.6667 Ų55.666759.7 Ų59.730%0.29832%0.322SS..  trans-106.5177173.9-69.3-84.1000112.6D2639 N2640 D2641 Y2702N2607-D2639 VanDerWaalsContact CB-OD1 3.31Å; N2607-D2639 WeakPolarHBondContact CB-OD1 3.35Å; N2607-N2640 HydrophobicContact CB-CB 3.98Å; N2607-N2640 PolarHBondContact OD1-ND2 2.72Å; N2607-D2641 WeakPolarHBondContact CB-OD1 3.35Å; N2607-D2641 PolarHBondContact N-OD1 2.85Å; N2607-D2641 PolarHBondContact N-OD2 3.24Å; N2607-D2641 PolarHBondContact ND2-OD1 3.16Å; N2607-Y2702 VanDerWaalsContact O-CD2 3.23Å; N2607-Y2702 WeakPolarHBondContact O-CD2 3.2Å; N2607-Y2702 VanDerWaalsContact O-CE2 3.28Å; N2607-Y2702 WeakPolarHBondContact O-CE2 3.22Å
2608R85.4Confident83Confident146.333 Ų146.33361.1 Ų61.155%0.55233%0.331SS*.  trans-145.3154.8-175.641.4-177.8147.7-119.4-4.2114.2D2639 Y2702 E2703R2608-D2639 VanDerWaalsContact C-CG 3.44Å; R2608-D2639 VanDerWaalsContact CA-OD2 3.26Å; R2608-D2639 WeakPolarHBondContact CA-OD2 3.39Å; R2608-D2639 PolarHBondContact N-OD1 3.1Å; R2608-Y2702 VanDerWaalsContact CB-CB 3.48Å; R2608-Y2702 HydrophobicContact CB-CD2 4.18Å; R2608-Y2702 HydrophobicContact CB-CG 3.9Å; R2608-Y2702 HydrophobicContact CG-CD1 4.46Å; R2608-Y2702 HydrophobicContact CG-CD2 3.99Å; R2608-Y2702 HydrophobicContact CG-CG 3.82Å; R2608-Y2702 VanDerWaalsContact NH2-CD1 3.34Å; R2608-E2703 PolarHBondContact NH1-O 2.83Å
2609P89.5Confident83Confident0 Ų062.6 Ų62.60%034%0.338CS..  trans-73.6146.3-176.3-18.330.6000114.3T2638 D2639 V2648 A2693 D2695 Y2702 T2704P2609-T2638 CarbonylContact C-O 3.51Å; P2609-T2638 WeakPolarHBondContact CA-O 3.42Å; P2609-D2639 WeakPolarHBondContact CA-OD2 3.27Å; P2609-D2639 WeakPolarHBondContact CD-OD2 3.2Å; P2609-D2639 HydrophobicContact CG-CB 4.45Å; P2609-D2639 VanDerWaalsContact CG-OD2 3.27Å; P2609-D2639 WeakPolarHBondContact CG-OD2 3.39Å; P2609-V2648 HydrophobicContact CB-CG1 4.19Å; P2609-V2648 HydrophobicContact CB-CG2 4.1Å; P2609-V2648 HydrophobicContact CG-CG1 4.45Å; P2609-V2648 HydrophobicContact CG-CG2 4.34Å; P2609-A2693 HydrophobicContact CB-CB 4.14Å; P2609-D2695 HydrophobicContact CG-CB 4.02Å; P2609-D2695 VanDerWaalsContact CG-N 3.32Å; P2609-Y2702 WeakPolarHBondContact CD-O 3.2Å; P2609-T2704 WeakPolarHBondContact O-CB 3.27Å; P2609-T2704 WeakPolarHBondContact O-CG2 3.39Å; P2609-T2704 PolarHBondContact O-OG1 2.94Å
2610V84.8Confident83Confident85.3333 Ų85.333364 Ų6452%0.51735%0.346SS..EExtended strand (participates in β ladder)trans-131126177.7-177.90000112.8A2637 T2638V2610-A2637 CarbonylContact O-C 3.54Å; V2610-A2637 WeakPolarHBondContact O-CA 3.3Å; V2610-A2637 VanDerWaalsContact O-CB 3.27Å; V2610-A2637 WeakPolarHBondContact O-CB 3.4Å; V2610-T2638 PolarHBondContact N-O 2.99Å; V2610-T2638 PolarHBondContact O-N 2.91Å; V2610-T2638 VanDerWaalsContact O-N 3.11Å
2611F88.7Confident83.3Confident31.6667 Ų31.666765.6 Ų65.614%0.13935%0.353CS..EExtended strand (participates in β ladder)trans-70.7137176.5-82.1-70.7000114.1V2635 A2637 Y2650 L2691 V2692 A2693 T2704 Q2706F2611-V2635 HydrophobicContact CE1-CB 4.38Å; F2611-V2635 HydrophobicContact CE1-CG2 4.25Å; F2611-A2637 HydrophobicContact CD1-CB 4.03Å; F2611-A2637 HydrophobicContact CE1-CB 4.42Å; F2611-A2637 HydrophobicContact CG-CB 4.37Å; F2611-Y2650 HydrophobicContact CD1-CE1 4.41Å; F2611-Y2650 AromaticContact CE1-CD1 3.68Å; F2611-Y2650 HydrophobicContact CE1-CD1 3.99Å; F2611-Y2650 AromaticContact CE1-CE1 3.87Å; F2611-Y2650 HydrophobicContact CE1-CE1 4.1Å; F2611-Y2650 HydrophobicContact CZ-CD1 4.19Å; F2611-L2691 HydrophobicContact CE1-CB 4.3Å; F2611-L2691 HydrophobicContact CE2-CB 4.27Å; F2611-L2691 HydrophobicContact CZ-CB 3.72Å; F2611-V2692 WeakPolarHBondContact CZ-O 3.35Å; F2611-A2693 HydrophobicContact CD1-CB 4.46Å; F2611-A2693 HydrophobicContact CD2-CB 4.25Å; F2611-A2693 HydrophobicContact CE1-CB 4Å; F2611-A2693 HydrophobicContact CE2-CB 3.72Å; F2611-A2693 HydrophobicContact CZ-CB 3.57Å; F2611-T2704 HydrophobicContact CD2-CG2 4.17Å; F2611-T2704 WeakPolarHBondContact CE2-O 3.28Å; F2611-Q2706 HydrophobicContact CD2-CB 3.85Å; F2611-Q2706 HydrophobicContact CE2-CB 4.05Å; F2611-Q2706 HydrophobicContact CG-CB 4.4Å
2612V85.8Confident83.5Confident85.3333 Ų85.333366.3 Ų66.352%0.51736%0.356SS..EExtended strand (participates in β ladder)trans-112.7-32.4177.1-177.80000111.9Y2636V2612-Y2636 HydrophobicContact CB-CD1 3.9Å; V2612-Y2636 HydrophobicContact CB-CE1 4.47Å; V2612-Y2636 HydrophobicContact CG1-CD1 4.31Å; V2612-Y2636 HydrophobicContact CG2-CD1 4.15Å; V2612-Y2636 HydrophobicContact CG2-CE1 4.38Å; V2612-Y2636 PolarHBondContact N-O 3.21Å
2613R85.3Confident83.8Confident108.333 Ų108.33368.7 Ų68.741%0.40936%0.364SS..EExtended strand (participates in β ladder)trans-142.2138.1173.2-63.8-174.2-64.7-169.15.1109.4E2634 V2635 Y2636R2613-E2634 IonicContact CZ-OE2 3.29Å; R2613-E2634 IonicContact NH1-OE2 3.51Å; R2613-E2634 PolarHBondContact NH1-OE2 3.28Å; R2613-E2634 IonicContact NH2-OE2 3.04Å; R2613-E2634 PolarHBondContact NH2-OE2 2.83Å; R2613-V2635 WeakPolarHBondContact O-CA 3.34Å; R2613-V2635 WeakPolarHBondContact O-CB 3.32Å; R2613-Y2636 PolarHBondContact N-O 3.23Å; R2613-Y2636 PolarHBondContact O-N 3.08Å
2614P85.6Confident84.1Confident3 Ų366.5 Ų66.52%0.01935%0.352CS..SBendcis-76159.4-4.131.7-34.8000113.3T2618 Y2633 L2691 Q2706 L2708P2614-T2618 HydrophobicContact CB-CG2 4.31Å; P2614-Y2633 HydrophobicContact CB-CE1 3.73Å; P2614-Y2633 HydrophobicContact CG-CE1 4.26Å; P2614-L2691 VanDerWaalsContact CD-CD1 3.49Å; P2614-L2691 HydrophobicContact CG-CD1 3.61Å; P2614-Q2706 HydrophobicContact CG-CG 4.45Å; P2614-L2708 HydrophobicContact CB-CD1 4.43Å; P2614-L2708 HydrophobicContact CG-CD1 4.28Å
2615P83Confident84.1Confident84.3333 Ų84.333367.5 Ų67.555%0.54835%0.354SS..PPolyproline II helixtrans-71.4156.9166.831-33.3000111.5G2617 T2618P2615-G2617 PolarHBondContact O-N 3.18Å; P2615-T2618 WeakPolarHBondContact CD-OG1 3.29Å; P2615-T2618 WeakPolarHBondContact CG-OG1 3.19Å; P2615-T2618 PolarHBondContact O-N 3.38Å; P2615-T2618 PolarHBondContact O-OG1 3.08Å
2616N79.1Confident84.2Confident125.333 Ų125.33368.7 Ų68.767%0.6736%0.36SS*.THydrogen-bonded Turntrans-64130.2-176.4-166.211.3000112.7Q2706N2616-Q2706 VanDerWaalsContact CA-NE2 3.26Å; N2616-Q2706 PolarHBondContact OD1-NE2 3.11Å
2617G79.9Confident84.4Confident64.3333 Ų64.333367.5 Ų67.566%0.66336%0.358SS*.THydrogen-bonded Turntrans91.524.2179.400000116.2P2615P2615-G2617 PolarHBondContact O-N 3.18Å
2618T86.6Confident84.6Confident30 Ų3069.7 Ų69.718%0.18437%0.37CS..  trans-79.6133.8179.1-590000112.1P2614 P2615 L2620 L2708 Q2709P2614-T2618 HydrophobicContact CB-CG2 4.31Å; P2615-T2618 WeakPolarHBondContact CD-OG1 3.29Å; P2615-T2618 WeakPolarHBondContact CG-OG1 3.19Å; P2615-T2618 PolarHBondContact O-N 3.38Å; P2615-T2618 PolarHBondContact O-OG1 3.08Å; T2618-L2620 HydrophobicContact CG2-CD2 4.32Å; T2618-L2620 HydrophobicContact CG2-CG 4.4Å; T2618-L2708 HydrophobicContact CG2-CD1 3.9Å; T2618-Q2709 PolarHBondContact O-N 3.25Å; T2618-Q2709 VanDerWaalsContact O-N 3.16Å
2619I88.4Confident84.5Confident93.6667 Ų93.666772 Ų7248%0.4838%0.378SS..EExtended strand (participates in β ladder)trans-120.6132.4171.2-50.1179.6000108.7Q2709I2619-Q2709 CarbonylContact C-O 3.54Å; I2619-Q2709 WeakPolarHBondContact CA-O 3.24Å; I2619-Q2709 HydrophobicContact CB-CB 4.45Å; I2619-Q2709 HydrophobicContact CG1-CB 4.24Å; I2619-Q2709 HydrophobicContact CG2-CB 4.22Å
2620L87.9Confident84.4Confident31.6667 Ų31.666773.7 Ų73.717%0.16639%0.39CS..EExtended strand (participates in β ladder)trans-108137.2177.9-68.3166.9000110.6T2618 V2632 Y2633 L2708 Q2709 V2710 A2711T2618-L2620 HydrophobicContact CG2-CD2 4.32Å; T2618-L2620 HydrophobicContact CG2-CG 4.4Å; L2620-V2632 HydrophobicContact CD1-CG1 4.21Å; L2620-Y2633 HydrophobicContact CD1-CD2 3.84Å; L2620-Y2633 HydrophobicContact CD1-CG 4.04Å; L2620-Y2633 HydrophobicContact CD2-CD2 3.94Å; L2620-Y2633 HydrophobicContact CD2-CE2 4.07Å; L2620-Y2633 HydrophobicContact CG-CD2 4.32Å; L2620-L2708 HydrophobicContact CD1-CD1 4.14Å; L2620-L2708 HydrophobicContact CD1-CD2 4.26Å; L2620-L2708 HydrophobicContact CD1-CG 4.46Å; L2620-L2708 HydrophobicContact CG-CD1 4.11Å; L2620-Q2709 PolarHBondContact N-O 2.78Å; L2620-V2710 HydrophobicContact CB-CG1 4.48Å; L2620-V2710 HydrophobicContact CB-CG2 4.43Å; L2620-V2710 HydrophobicContact CD1-CG2 4.41Å; L2620-V2710 CarbonylContact O-C 3.58Å; L2620-V2710 WeakPolarHBondContact O-CA 3.3Å; L2620-A2711 PolarHBondContact O-N 2.8Å
2621H87Confident84.5Confident130.667 Ų130.66775 Ų7561%0.60539%0.394SS*.EExtended strand (participates in β ladder)trans-109.1129.8171.6-68.9-84.7000109.7A2711 E2713H2621-A2711 WeakPolarHBondContact CA-O 3.34Å; H2621-E2713 HydrophobicContact CB-CG 4.37Å
2622I88.3Confident84.4Confident28.6667 Ų28.666774.8 Ų74.815%0.14740%0.395CS..EExtended strand (participates in β ladder)trans-141.5154.5178.756.1174.5000109.4I2626 V2632 F2664 L2679 V2710 A2711 L2712 E2713I2622-I2626 HydrophobicContact CB-CD1 3.74Å; I2622-I2626 HydrophobicContact CD1-CD1 4.44Å; I2622-I2626 HydrophobicContact CG1-CD1 4.34Å; I2622-I2626 HydrophobicContact CG2-CD1 4.26Å; I2622-V2632 HydrophobicContact CD1-CG1 4.33Å; I2622-V2632 HydrophobicContact CG2-CG1 4.44Å; I2622-F2664 HydrophobicContact CD1-CE1 4.47Å; I2622-L2679 HydrophobicContact CD1-CD1 3.49Å; I2622-L2679 HydrophobicContact CG1-CD1 4.25Å; I2622-V2710 HydrophobicContact CD1-CG1 3.45Å; I2622-V2710 VanDerWaalsContact CD1-CG1 3.45Å; I2622-V2710 HydrophobicContact CG1-CG1 3.73Å; I2622-A2711 PolarHBondContact N-O 3.2Å; I2622-A2711 VanDerWaalsContact N-O 3.11Å; I2622-L2712 HydrophobicContact CD1-CD2 4.16Å; I2622-L2712 HydrophobicContact CG1-CD2 3.84Å; I2622-L2712 CarbonylContact O-C 3.47Å; I2622-L2712 VanDerWaalsContact O-CA 3.27Å; I2622-L2712 WeakPolarHBondContact O-CA 3.21Å; I2622-E2713 PolarHBondContact O-N 2.77Å
2623K83.6Confident84.7Confident114 Ų11473.8 Ų73.850%0.49638%0.383SS..EExtended strand (participates in β ladder)trans-73.2156.2173.2-66.7-171.4167.3-123.10111.2I2626 E2713 I2715K2623-I2626 HydrophobicContact CB-CD1 4.44Å; K2623-I2626 HydrophobicContact CB-CG1 4.43Å; K2623-I2626 WeakPolarHBondContact O-CD1 3.31Å; K2623-I2626 VanDerWaalsContact O-CG1 3.25Å; K2623-I2626 WeakPolarHBondContact O-CG1 3.3Å; K2623-E2713 WeakPolarHBondContact CE-OE2 3.48Å; K2623-E2713 HydrophobicContact CG-CB 4.27Å; K2623-E2713 WeakPolarHBondContact CG-OE2 3.48Å; K2623-E2713 IonicContact NZ-OE2 3.53Å; K2623-I2715 HydrophobicContact CB-CD1 4.25Å
2624E84.1Confident84.9Confident3.66667 Ų3.6666773.2 Ų73.22%0.01739%0.385CS..SBendtrans-73.8174165.176.4-162.912900112.1I2626 L2679 R2681 E2682 L2712 E2713 D2714 I2715E2624-I2626 PolarHBondContact O-N 2.82Å; E2624-I2626 VanDerWaalsContact O-N 3.15Å; E2624-L2679 WeakPolarHBondContact CA-O 3.38Å; E2624-L2679 WeakPolarHBondContact CB-O 3.26Å; E2624-R2681 HydrophobicContact CB-CB 4.16Å; E2624-R2681 WeakPolarHBondContact OE2-CA 3.42Å; E2624-R2681 WeakPolarHBondContact OE2-CB 3.38Å; E2624-R2681 PolarHBondContact OE2-N 3.02Å; E2624-E2682 VanDerWaalsContact OE2-OE2 3.07Å; E2624-L2712 HydrophobicContact CB-CD1 4.37Å; E2624-E2713 WeakPolarHBondContact CB-O 3.17Å; E2624-E2713 WeakPolarHBondContact CG-O 3.28Å; E2624-E2713 PolarHBondContact N-O 3.03Å; E2624-E2713 VanDerWaalsContact N-O 3.11Å; E2624-D2714 VanDerWaalsContact OE1-CA 3.25Å; E2624-D2714 WeakPolarHBondContact OE1-CA 3.39Å; E2624-I2715 HydrophobicContact CG-CB 4.25Å; E2624-I2715 HydrophobicContact CG-CD1 3.89Å; E2624-I2715 HydrophobicContact CG-CG1 3.97Å; E2624-I2715 WeakPolarHBondContact O-CD1 3.32Å; E2624-I2715 PolarHBondContact OE1-N 3.1Å
2625E79.1Confident85.1Confident64.3333 Ų64.333373.1 Ų73.130%0.30138%0.384SS..SBendtrans53.723.1-176.5-82.8-64.9129.300114.9R2678 L2679 I2715E2625-R2678 VanDerWaalsContact CD-CZ 3.44Å; E2625-R2678 VanDerWaalsContact OE1-CD 3.23Å; E2625-R2678 WeakPolarHBondContact OE1-CD 3.26Å; E2625-R2678 WeakPolarHBondContact OE1-CG 3.38Å; E2625-R2678 IonicContact OE1-CZ 3.81Å; E2625-R2678 IonicContact OE1-NE 3.05Å; E2625-R2678 PolarHBondContact OE1-NE 2.92Å; E2625-R2678 IonicContact OE1-NH1 3.32Å; E2625-R2678 PolarHBondContact OE1-NH1 3.38Å; E2625-R2678 IonicContact OE1-NH2 3.44Å; E2625-R2678 PolarHBondContact OE1-NH2 3.47Å; E2625-R2678 IonicContact OE2-CZ 3.02Å; E2625-R2678 IonicContact OE2-NE 3.66Å; E2625-R2678 PolarHBondContact OE2-NE 3.02Å; E2625-R2678 IonicContact OE2-NH1 3.28Å; E2625-R2678 PolarHBondContact OE2-NH1 2.86Å; E2625-R2678 IonicContact OE2-NH2 2.78Å; E2625-R2678 PolarHBondContact OE2-NH2 2.98Å; E2625-L2679 PolarHBondContact N-O 3Å; E2625-I2715 HydrophobicContact CB-CD1 4.12Å
2626I81.9Confident85.4Confident40.3333 Ų40.333374.3 Ų74.321%0.20738%0.379CS..PPolyproline II helixtrans-63.3132.1171.2-76.6176.2000109.3I2622 K2623 E2624 S2630 T2675I2622-I2626 HydrophobicContact CB-CD1 3.74Å; I2622-I2626 HydrophobicContact CD1-CD1 4.44Å; I2622-I2626 HydrophobicContact CG1-CD1 4.34Å; I2622-I2626 HydrophobicContact CG2-CD1 4.26Å; K2623-I2626 HydrophobicContact CB-CD1 4.44Å; K2623-I2626 HydrophobicContact CB-CG1 4.43Å; K2623-I2626 WeakPolarHBondContact O-CD1 3.31Å; K2623-I2626 VanDerWaalsContact O-CG1 3.25Å; K2623-I2626 WeakPolarHBondContact O-CG1 3.3Å; E2624-I2626 PolarHBondContact O-N 2.82Å; E2624-I2626 VanDerWaalsContact O-N 3.15Å; I2626-S2630 VanDerWaalsContact CG2-CB 3.41Å; I2626-S2630 VanDerWaalsContact CG2-OG 3.28Å; I2626-S2630 WeakPolarHBondContact CG2-OG 3.35Å; I2626-T2675 HydrophobicContact CG2-CG2 4.11Å
2627P81.3Confident85.9Confident91.3333 Ų91.333368.6 Ų68.659%0.59335%0.349SS*.PPolyproline II helixtrans-54.3146.4-178.5-2834.6000113.6R2629 S2630 T2675P2627-R2629 PolarHBondContact O-N 2.76Å; P2627-S2630 VanDerWaalsContact O-CB 3.23Å; P2627-S2630 WeakPolarHBondContact O-CB 3.32Å; P2627-S2630 PolarHBondContact O-N 3.06Å; P2627-S2630 VanDerWaalsContact O-N 3.09Å; P2627-S2630 PolarHBondContact O-OG 3.25Å; P2627-T2675 PolarHBondContact O-OG1 3.02Å; P2627-T2675 VanDerWaalsContact O-OG1 3.06Å
2628L81.3Confident86.2Confident102.333 Ų102.33368.5 Ų68.554%0.53634%0.335SS..THydrogen-bonded Turntrans-54.7142.1174-64172.3000111.6S2630 R2678L2628-S2630 VanDerWaalsContact C-N 3.29Å; L2628-S2630 PolarHBondContact O-N 3.02Å; L2628-R2678 HydrophobicContact CD2-CB 4.34Å; L2628-R2678 HydrophobicContact CD2-CG 4.24Å; L2628-R2678 VanDerWaalsContact CD2-N 3.29Å; L2628-R2678 HydrophobicContact CG-CG 4.43Å
2629R83.7Confident86.2Confident194.667 Ų194.66768.3 Ų68.374%0.73533%0.333SS*.THydrogen-bonded Turntrans61.623.4-175.1-48.1-174.7-170-1642.8114.7P2627 Q2674 T2675P2627-R2629 PolarHBondContact O-N 2.76Å; R2629-Q2674 PolarHBondContact O-NE2 2.87Å; R2629-Q2674 VanDerWaalsContact O-NE2 3.15Å; R2629-T2675 VanDerWaalsContact CA-O 3.28Å; R2629-T2675 WeakPolarHBondContact CA-O 3.33Å; R2629-T2675 PolarHBondContact N-O 3.22Å; R2629-T2675 PolarHBondContact N-OG1 3.14Å; R2629-T2675 VanDerWaalsContact N-OG1 3.09Å
2630S86Confident85.9Confident34.6667 Ų34.666770.1 Ų70.124%0.24234%0.343CS..  trans-70.4140.1169.1-66.70000110.2I2626 P2627 L2628 V2632 Q2674 T2675I2626-S2630 VanDerWaalsContact CG2-CB 3.41Å; I2626-S2630 VanDerWaalsContact CG2-OG 3.28Å; I2626-S2630 WeakPolarHBondContact CG2-OG 3.35Å; P2627-S2630 VanDerWaalsContact O-CB 3.23Å; P2627-S2630 WeakPolarHBondContact O-CB 3.32Å; P2627-S2630 PolarHBondContact O-N 3.06Å; P2627-S2630 VanDerWaalsContact O-N 3.09Å; P2627-S2630 PolarHBondContact O-OG 3.25Å; L2628-S2630 VanDerWaalsContact C-N 3.29Å; L2628-S2630 PolarHBondContact O-N 3.02Å; S2630-V2632 PolarHBondContact O-N 2.99Å; S2630-Q2674 CarbonylContact O-C 3.46Å; S2630-Q2674 VanDerWaalsContact O-CA 3.29Å; S2630-Q2674 WeakPolarHBondContact O-CA 3.27Å; S2630-Q2674 WeakPolarHBondContact O-CB 3.4Å; S2630-T2675 PolarHBondContact N-OG1 3.01Å; S2630-T2675 VanDerWaalsContact N-OG1 3.09Å; S2630-T2675 PolarHBondContact O-N 2.93Å; S2630-T2675 VanDerWaalsContact O-N 3.1Å
2631N87.5Confident85.6Confident112.667 Ų112.66769.7 Ų69.760%0.60234%0.341SS*.EExtended strand (participates in β ladder)trans-72.8123-179.3-64.9-1.4000110.4L2672 Q2674N2631-L2672 HydrophobicContact CB-CD1 4.22Å; N2631-Q2674 PolarHBondContact OD1-NE2 2.95Å
2632V87.8Confident85Confident26.6667 Ų26.666769.7 Ų69.716%0.16234%0.342CS..EExtended strand (participates in β ladder)trans-101-49.6-178.8-177.60000111L2620 I2622 S2630 F2664 I2673 T2675L2620-V2632 HydrophobicContact CD1-CG1 4.21Å; I2622-V2632 HydrophobicContact CD1-CG1 4.33Å; I2622-V2632 HydrophobicContact CG2-CG1 4.44Å; S2630-V2632 PolarHBondContact O-N 2.99Å; V2632-F2664 HydrophobicContact CB-CD1 4.46Å; V2632-F2664 HydrophobicContact CG1-CD1 4.32Å; V2632-F2664 HydrophobicContact CG1-CE1 4.33Å; V2632-F2664 HydrophobicContact CG2-CD1 4.16Å; V2632-F2664 HydrophobicContact CG2-CE1 4.13Å; V2632-I2673 WeakPolarHBondContact CA-O 3.5Å; V2632-I2673 HydrophobicContact CB-CG2 4.17Å; V2632-I2673 WeakPolarHBondContact CB-O 3.38Å; V2632-I2673 PolarHBondContact N-O 3.18Å; V2632-T2675 HydrophobicContact CG2-CG2 3.76Å
2633Y90.1Very high84.5Confident65.3333 Ų65.333371.7 Ų71.726%0.25637%0.369SS..EExtended strand (participates in β ladder)trans-161.2168.2-177.6-156.8-101.3000112.3P2614 L2620 V2635 I2673P2614-Y2633 HydrophobicContact CB-CE1 3.73Å; P2614-Y2633 HydrophobicContact CG-CE1 4.26Å; L2620-Y2633 HydrophobicContact CD1-CD2 3.84Å; L2620-Y2633 HydrophobicContact CD1-CG 4.04Å; L2620-Y2633 HydrophobicContact CD2-CD2 3.94Å; L2620-Y2633 HydrophobicContact CD2-CE2 4.07Å; L2620-Y2633 HydrophobicContact CG-CD2 4.32Å; Y2633-V2635 HydrophobicContact CD1-CG1 4.34Å; Y2633-I2673 PolarHBondContact N-O 3.13Å; Y2633-I2673 VanDerWaalsContact N-O 3.08Å; Y2633-I2673 VanDerWaalsContact O-CA 3.3Å; Y2633-I2673 WeakPolarHBondContact O-CA 3.4Å; Y2633-I2673 WeakPolarHBondContact O-CB 3.46Å; Y2633-I2673 PolarHBondContact O-N 3.11Å; Y2633-I2673 VanDerWaalsContact O-O 3.14Å
2634E89.6Confident84.2Confident96 Ų9671.7 Ų71.745%0.44937%0.374SS..EExtended strand (participates in β ladder)trans-132.9125.3177.8-176.1-168.4-147.100110.7R2613 L2672R2613-E2634 IonicContact CZ-OE2 3.29Å; R2613-E2634 IonicContact NH1-OE2 3.51Å; R2613-E2634 PolarHBondContact NH1-OE2 3.28Å; R2613-E2634 IonicContact NH2-OE2 3.04Å; R2613-E2634 PolarHBondContact NH2-OE2 2.83Å; E2634-L2672 HydrophobicContact CB-CD1 4.08Å; E2634-L2672 HydrophobicContact CG-CD1 4.41Å
2635V91.1Very high84Confident1.33333 Ų1.3333372.6 Ų72.61%0.00838%0.379CS..  trans-105.1157.4-176.7-43.50000112.4F2611 R2613 Y2633 Y2650 I2666 G2671 I2673 L2691F2611-V2635 HydrophobicContact CE1-CB 4.38Å; F2611-V2635 HydrophobicContact CE1-CG2 4.25Å; R2613-V2635 WeakPolarHBondContact O-CA 3.34Å; R2613-V2635 WeakPolarHBondContact O-CB 3.32Å; Y2633-V2635 HydrophobicContact CD1-CG1 4.34Å; V2635-Y2650 HydrophobicContact CG2-CD1 3.62Å; V2635-Y2650 HydrophobicContact CG2-CD2 4.37Å; V2635-Y2650 HydrophobicContact CG2-CE1 4.02Å; V2635-Y2650 HydrophobicContact CG2-CG 3.86Å; V2635-I2666 HydrophobicContact CB-CD1 4.48Å; V2635-I2666 HydrophobicContact CG1-CD1 4.21Å; V2635-I2666 HydrophobicContact CG2-CD1 3.78Å; V2635-I2666 VanDerWaalsContact CG2-CD1 3.42Å; V2635-I2666 HydrophobicContact CG2-CG1 4.36Å; V2635-G2671 WeakPolarHBondContact CG2-O 3.36Å; V2635-G2671 PolarHBondContact N-O 3Å; V2635-I2673 HydrophobicContact CG1-CD1 3.85Å; V2635-I2673 HydrophobicContact CG1-CG1 4.29Å; V2635-L2691 HydrophobicContact CB-CD1 4.44Å; V2635-L2691 HydrophobicContact CG1-CD1 3.76Å; V2635-L2691 HydrophobicContact CG1-CD2 4.07Å
2636Y89.6Confident84Confident109.667 Ų109.66770.6 Ų70.643%0.4338%0.375SS..EExtended strand (participates in β ladder)trans-154139.4-177-177-117.4000113.5V2612 R2613 T2638 Y2650V2612-Y2636 HydrophobicContact CB-CD1 3.9Å; V2612-Y2636 HydrophobicContact CB-CE1 4.47Å; V2612-Y2636 HydrophobicContact CG1-CD1 4.31Å; V2612-Y2636 HydrophobicContact CG2-CD1 4.15Å; V2612-Y2636 HydrophobicContact CG2-CE1 4.38Å; V2612-Y2636 PolarHBondContact N-O 3.21Å; R2613-Y2636 PolarHBondContact N-O 3.23Å; R2613-Y2636 PolarHBondContact O-N 3.08Å; Y2636-T2638 HydrophobicContact CE1-CG2 4.09Å; Y2636-T2638 WeakPolarHBondContact OH-CG2 3.18Å; Y2636-Y2650 WeakPolarHBondContact CA-OH 3.25Å
2637A89.8Confident84Confident5 Ų570.1 Ų70.14%0.04138%0.377CS..EExtended strand (participates in β ladder)trans-150.7165.3-179.400000113.2V2610 F2611 V2648 Y2650 A2693V2610-A2637 CarbonylContact O-C 3.54Å; V2610-A2637 WeakPolarHBondContact O-CA 3.3Å; V2610-A2637 VanDerWaalsContact O-CB 3.27Å; V2610-A2637 WeakPolarHBondContact O-CB 3.4Å; F2611-A2637 HydrophobicContact CD1-CB 4.03Å; F2611-A2637 HydrophobicContact CE1-CB 4.42Å; F2611-A2637 HydrophobicContact CG-CB 4.37Å; A2637-V2648 HydrophobicContact CB-CG1 4.18Å; A2637-Y2650 HydrophobicContact CB-CE1 3.76Å; A2637-Y2650 PolarHBondContact N-OH 3.21Å; A2637-Y2650 PolarHBondContact O-OH 2.94Å; A2637-Y2650 VanDerWaalsContact O-OH 3.1Å; A2637-A2693 HydrophobicContact CB-CB 3.81Å
2638T86.3Confident84.3Confident61 Ų6167.2 Ų67.237%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-142.8150.6-17456.30000114.3P2609 V2610 Y2636P2609-T2638 CarbonylContact C-O 3.51Å; P2609-T2638 WeakPolarHBondContact CA-O 3.42Å; V2610-T2638 PolarHBondContact N-O 2.99Å; V2610-T2638 PolarHBondContact O-N 2.91Å; V2610-T2638 VanDerWaalsContact O-N 3.11Å; Y2636-T2638 HydrophobicContact CE1-CG2 4.09Å; Y2636-T2638 WeakPolarHBondContact OH-CG2 3.18Å
2639D86.3Confident84.8Confident26 Ų2666.8 Ų66.814%0.13935%0.349CS..  trans-136.3166.7175.4-148.2-44.9000112.1N2607 R2608 P2609 V2648 D2695N2607-D2639 VanDerWaalsContact CB-OD1 3.31Å; N2607-D2639 WeakPolarHBondContact CB-OD1 3.35Å; R2608-D2639 VanDerWaalsContact C-CG 3.44Å; R2608-D2639 VanDerWaalsContact CA-OD2 3.26Å; R2608-D2639 WeakPolarHBondContact CA-OD2 3.39Å; R2608-D2639 PolarHBondContact N-OD1 3.1Å; P2609-D2639 WeakPolarHBondContact CA-OD2 3.27Å; P2609-D2639 WeakPolarHBondContact CD-OD2 3.2Å; P2609-D2639 HydrophobicContact CG-CB 4.45Å; P2609-D2639 VanDerWaalsContact CG-OD2 3.27Å; P2609-D2639 WeakPolarHBondContact CG-OD2 3.39Å; D2639-V2648 HydrophobicContact CB-CG2 3.86Å; D2639-D2695 WeakPolarHBondContact OD2-CB 3.31Å
2640N80.5Confident85.2Confident131.333 Ų131.33358.2 Ų58.270%0.70232%0.317SS*.  trans-113.2-17.1-169.9-70.6-27.2000116.5N2607N2607-N2640 HydrophobicContact CB-CB 3.98Å; N2607-N2640 PolarHBondContact OD1-ND2 2.72Å
2641D82.5Confident85.5Confident23 Ų2359 Ų5912%0.12332%0.322CS..SBendtrans-76.6164.4-172.6-68.6-18.1000114N2605 D2606 N2607 N2645 G2646N2605-D2641 WeakPolarHBondContact CA-OD2 3.41Å; N2605-D2641 PolarHBondContact OD1-OD2 3.24Å; D2606-D2641 PolarHBondContact N-OD2 2.91Å; N2607-D2641 WeakPolarHBondContact CB-OD1 3.35Å; N2607-D2641 PolarHBondContact N-OD1 2.85Å; N2607-D2641 PolarHBondContact N-OD2 3.24Å; N2607-D2641 PolarHBondContact ND2-OD1 3.16Å; D2641-N2645 VanDerWaalsContact CB-C 3.41Å; D2641-N2645 HydrophobicContact CB-CB 3.42Å; D2641-N2645 VanDerWaalsContact CB-CB 3.41Å; D2641-G2646 VanDerWaalsContact O-CA 3.28Å; D2641-G2646 WeakPolarHBondContact O-CA 3.4Å; D2641-G2646 PolarHBondContact O-N 3.25Å; D2641-G2646 VanDerWaalsContact O-N 3.17Å
2642E74Confident85.7Confident132.333 Ų132.33354.5 Ų54.562%0.61830%0.297SS*.SBendtrans-80.5146.5-178.3-76.2-149.4167.600114.2L2644 N2645E2642-L2644 PolarHBondContact O-N 3.09Å; E2642-L2644 VanDerWaalsContact O-N 3.13Å; E2642-N2645 WeakPolarHBondContact O-CB 3.32Å; E2642-N2645 PolarHBondContact O-N 3.03Å; E2642-N2645 VanDerWaalsContact O-N 3.14Å
2643G78.4Confident85.6Confident69.6667 Ų69.666756.1 Ų56.172%0.71831%0.305SS*.THydrogen-bonded Turntrans66.2-118.6171.400000114.1N2645G2643-N2645 VanDerWaalsContact C-N 3.26Å; G2643-N2645 PolarHBondContact O-N 2.8Å
2644L78Confident85.4Confident114.667 Ų114.66760 Ų6060%0.632%0.323SS*.THydrogen-bonded Turntrans-78.7-28.1178.8-69.6173.1000112E2642 G2646 A2647 L2696E2642-L2644 PolarHBondContact O-N 3.09Å; E2642-L2644 VanDerWaalsContact O-N 3.13Å; L2644-G2646 VanDerWaalsContact C-N 3.29Å; L2644-G2646 PolarHBondContact O-N 3.1Å; L2644-A2647 PolarHBondContact O-N 2.93Å; L2644-A2647 VanDerWaalsContact O-N 3.14Å; L2644-L2696 HydrophobicContact CB-CB 4.28Å; L2644-L2696 HydrophobicContact CD2-CB 4.42Å; L2644-L2696 HydrophobicContact CD2-CD1 4.36Å; L2644-L2696 CarbonylContact O-C 3.58Å; L2644-L2696 VanDerWaalsContact O-C 3.28Å; L2644-L2696 WeakPolarHBondContact O-CA 3.34Å; L2644-L2696 VanDerWaalsContact O-CB 3.29Å; L2644-L2696 WeakPolarHBondContact O-CB 3.41Å; L2644-L2696 PolarHBondContact O-N 2.79Å
2645N78.2Confident84.7Confident23 Ų2357.9 Ų57.912%0.12332%0.317CS..THydrogen-bonded Turntrans-60.9-36.2179-65.5-17.9000110.7D2603 N2605 D2641 E2642 G2643 A2647 D2695 G2697D2603-N2645 PolarHBondContact OD2-ND2 2.82Å; N2605-N2645 HydrophobicContact CB-CB 4.15Å; N2605-N2645 PolarHBondContact N-ND2 3.13Å; N2605-N2645 VanDerWaalsContact OD1-CA 3.28Å; N2605-N2645 WeakPolarHBondContact OD1-CA 3.37Å; N2605-N2645 WeakPolarHBondContact OD1-CB 3.23Å; N2605-N2645 PolarHBondContact OD1-O 3.1Å; N2605-N2645 PolarHBondContact OD1-OD1 3.44Å; D2641-N2645 VanDerWaalsContact CB-C 3.41Å; D2641-N2645 HydrophobicContact CB-CB 3.42Å; D2641-N2645 VanDerWaalsContact CB-CB 3.41Å; E2642-N2645 WeakPolarHBondContact O-CB 3.32Å; E2642-N2645 PolarHBondContact O-N 3.03Å; E2642-N2645 VanDerWaalsContact O-N 3.14Å; G2643-N2645 VanDerWaalsContact C-N 3.26Å; G2643-N2645 PolarHBondContact O-N 2.8Å; N2645-A2647 PolarHBondContact O-N 2.74Å; N2645-D2695 VanDerWaalsContact O-CB 3.29Å; N2645-D2695 WeakPolarHBondContact O-CB 3.4Å; N2645-G2697 WeakPolarHBondContact OD1-CA 3.35Å
2646G79.3Confident83.8Confident20.6667 Ų20.666765 Ų6521%0.21336%0.36CS..THydrogen-bonded Turntrans-907.4175.700000117.2D2641 L2644 V2648D2641-G2646 VanDerWaalsContact O-CA 3.28Å; D2641-G2646 WeakPolarHBondContact O-CA 3.4Å; D2641-G2646 PolarHBondContact O-N 3.25Å; D2641-G2646 VanDerWaalsContact O-N 3.17Å; L2644-G2646 VanDerWaalsContact C-N 3.29Å; L2644-G2646 PolarHBondContact O-N 3.1Å; G2646-V2648 PolarHBondContact O-N 2.88Å
2647A82.7Confident82.9Confident31 Ų3163.6 Ų63.626%0.25638%0.379SS..  trans-96.3102.4-169.100000113.4L2644 N2645 D2695 L2696L2644-A2647 PolarHBondContact O-N 2.93Å; L2644-A2647 VanDerWaalsContact O-N 3.14Å; N2645-A2647 PolarHBondContact O-N 2.74Å; A2647-D2695 CarbonylContact O-C 3.53Å; A2647-D2695 WeakPolarHBondContact O-CA 3.47Å; A2647-L2696 HydrophobicContact CB-CB 4.3Å; A2647-L2696 HydrophobicContact CB-CD1 4.05Å; A2647-L2696 HydrophobicContact CB-CG 4.48Å; A2647-L2696 VanDerWaalsContact O-CG 3.29Å; A2647-L2696 WeakPolarHBondContact O-CG 3.11Å; A2647-L2696 PolarHBondContact O-N 3.01Å; A2647-L2696 VanDerWaalsContact O-N 3.09Å
2648V88.2Confident82.2Confident29.6667 Ų29.666765.7 Ų65.718%0.1839%0.389CS..  trans-77143.3-174.2-172.70000114.1P2609 A2637 D2639 G2646 Y2650 A2693 S2694P2609-V2648 HydrophobicContact CB-CG1 4.19Å; P2609-V2648 HydrophobicContact CB-CG2 4.1Å; P2609-V2648 HydrophobicContact CG-CG1 4.45Å; P2609-V2648 HydrophobicContact CG-CG2 4.34Å; A2637-V2648 HydrophobicContact CB-CG1 4.18Å; D2639-V2648 HydrophobicContact CB-CG2 3.86Å; G2646-V2648 PolarHBondContact O-N 2.88Å; V2648-Y2650 HydrophobicContact CG1-CE1 4.28Å; V2648-A2693 HydrophobicContact CG1-CB 4.02Å; V2648-S2694 CarbonylContact C-O 3.45Å; V2648-S2694 VanDerWaalsContact CA-O 3.25Å; V2648-S2694 WeakPolarHBondContact CA-O 3.32Å
2649R90.5Very high82.1Confident94.6667 Ų94.666770.2 Ų70.236%0.35740%0.4SS..EExtended strand (participates in β ladder)trans-128.1146.1172.4-65.8-62.7-174.9139.8-0.2111.8P2668 I2669 A2693 S2694 L2696R2649-P2668 CarbonylContact C-O 3.59Å; R2649-P2668 VanDerWaalsContact CA-O 3.3Å; R2649-P2668 WeakPolarHBondContact CA-O 3.42Å; R2649-P2668 WeakPolarHBondContact CD-O 3.48Å; R2649-I2669 VanDerWaalsContact NH1-CG1 3.29Å; R2649-A2693 CarbonylContact O-C 3.55Å; R2649-A2693 VanDerWaalsContact O-CA 3.31Å; R2649-A2693 WeakPolarHBondContact O-CA 3.31Å; R2649-S2694 PolarHBondContact N-O 3Å; R2649-S2694 PolarHBondContact O-N 2.93Å; R2649-L2696 HydrophobicContact CG-CD1 4.14Å; R2649-L2696 HydrophobicContact CG-CD2 3.94Å; R2649-L2696 HydrophobicContact CG-CG 3.99Å
2650Y93Very high82.2Confident14.6667 Ų14.666769.7 Ų69.76%0.05840%0.397CS..EExtended strand (participates in β ladder)trans-105.6144.4177.3-52.8-73.2000112.7F2611 V2635 Y2636 A2637 V2648 P2668 G2671 V2692 A2693F2611-Y2650 HydrophobicContact CD1-CE1 4.41Å; F2611-Y2650 AromaticContact CE1-CD1 3.68Å; F2611-Y2650 HydrophobicContact CE1-CD1 3.99Å; F2611-Y2650 AromaticContact CE1-CE1 3.87Å; F2611-Y2650 HydrophobicContact CE1-CE1 4.1Å; F2611-Y2650 HydrophobicContact CZ-CD1 4.19Å; V2635-Y2650 HydrophobicContact CG2-CD1 3.62Å; V2635-Y2650 HydrophobicContact CG2-CD2 4.37Å; V2635-Y2650 HydrophobicContact CG2-CE1 4.02Å; V2635-Y2650 HydrophobicContact CG2-CG 3.86Å; Y2636-Y2650 WeakPolarHBondContact CA-OH 3.25Å; A2637-Y2650 HydrophobicContact CB-CE1 3.76Å; A2637-Y2650 PolarHBondContact N-OH 3.21Å; A2637-Y2650 PolarHBondContact O-OH 2.94Å; A2637-Y2650 VanDerWaalsContact O-OH 3.1Å; V2648-Y2650 HydrophobicContact CG1-CE1 4.28Å; Y2650-P2668 WeakPolarHBondContact CD2-O 3.14Å; Y2650-P2668 PolarHBondContact N-O 3.05Å; Y2650-P2668 VanDerWaalsContact N-O 3.13Å; Y2650-P2668 WeakPolarHBondContact O-CA 3.32Å; Y2650-P2668 WeakPolarHBondContact O-CB 3.41Å; Y2650-G2671 VanDerWaalsContact CD2-CA 3.42Å; Y2650-V2692 CarbonylContact C-O 3.55Å; Y2650-V2692 VanDerWaalsContact CA-O 3.3Å; Y2650-V2692 WeakPolarHBondContact CA-O 3.11Å; Y2650-A2693 HydrophobicContact CD1-CB 4.26Å; Y2650-A2693 HydrophobicContact CE1-CB 4.33Å
2651S91.5Very high82.5Confident51.3333 Ų51.333365.8 Ų65.836%0.35937%0.372SS..EExtended strand (participates in β ladder)trans-153.9175.2170.165.70000112L2691 V2692S2651-L2691 CarbonylContact O-C 3.46Å; S2651-V2692 PolarHBondContact N-O 3Å; S2651-V2692 PolarHBondContact O-N 2.95Å; S2651-V2692 WeakPolarHBondContact OG-CB 3.03Å
2652F91.6Very high82.7Confident18 Ų1867.8 Ų67.88%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-99.4137.9168.4-67.8-59.5000110.6K2654 W2661 F2664 I2666 I2673 L2689 I2690 L2691F2652-K2654 PolarHBondContact O-N 2.78Å; F2652-K2654 VanDerWaalsContact O-N 3.15Å; F2652-W2661 HydrophobicContact CB-CB 3.75Å; F2652-W2661 HydrophobicContact CB-CD2 4.5Å; F2652-W2661 HydrophobicContact CB-CG 4.1Å; F2652-W2661 HydrophobicContact CD1-CB 4.22Å; F2652-W2661 HydrophobicContact CD2-CB 4.09Å; F2652-W2661 HydrophobicContact CG-CB 3.97Å; F2652-F2664 HydrophobicContact CE2-CB 3.96Å; F2652-F2664 WeakPolarHBondContact CE2-O 3.28Å; F2652-F2664 HydrophobicContact CZ-CB 4.02Å; F2652-I2666 HydrophobicContact CD2-CB 4.23Å; F2652-I2666 HydrophobicContact CD2-CG2 3.68Å; F2652-I2666 HydrophobicContact CE1-CB 4.49Å; F2652-I2666 HydrophobicContact CE1-CD1 4.45Å; F2652-I2666 HydrophobicContact CE2-CB 3.72Å; F2652-I2666 HydrophobicContact CE2-CG2 3.71Å; F2652-I2666 HydrophobicContact CG-CG2 4.14Å; F2652-I2666 HydrophobicContact CZ-CB 3.88Å; F2652-I2666 HydrophobicContact CZ-CG2 4.21Å; F2652-I2673 HydrophobicContact CE1-CD1 4.18Å; F2652-I2673 HydrophobicContact CZ-CD1 4.16Å; F2652-I2673 HydrophobicContact CZ-CG1 4.14Å; F2652-I2673 HydrophobicContact CZ-CG2 4.06Å; F2652-L2689 HydrophobicContact CD1-CB 4.32Å; F2652-L2689 HydrophobicContact CE1-CB 4.07Å; F2652-L2689 HydrophobicContact CE1-CD1 3.97Å; F2652-L2689 HydrophobicContact CE1-CD2 4.33Å; F2652-L2689 HydrophobicContact CE1-CG 4.32Å; F2652-L2689 HydrophobicContact CZ-CD1 4.13Å; F2652-I2690 CarbonylContact C-O 3.42Å; F2652-I2690 VanDerWaalsContact CA-O 3.29Å; F2652-I2690 WeakPolarHBondContact CA-O 3.37Å; F2652-L2691 HydrophobicContact CD1-CD2 3.89Å; F2652-L2691 HydrophobicContact CE1-CD2 3.53Å; F2652-L2691 HydrophobicContact CZ-CD2 4.42Å
2653L87.4Confident83.4Confident60.6667 Ų60.666764.1 Ų64.132%0.31836%0.362SS..  trans-72.8110174-175.370.2000109.6T2655 I2690 V2692 M2705L2653-T2655 HydrophobicContact CD2-CG2 4.02Å; L2653-T2655 HydrophobicContact CG-CG2 4.16Å; L2653-T2655 PolarHBondContact O-N 2.88Å; L2653-T2655 PolarHBondContact O-OG1 2.93Å; L2653-I2690 HydrophobicContact CB-CB 3.91Å; L2653-I2690 HydrophobicContact CB-CG2 3.7Å; L2653-I2690 HydrophobicContact CD2-CB 4.47Å; L2653-I2690 HydrophobicContact CD2-CD1 4.24Å; L2653-I2690 HydrophobicContact CD2-CG2 3.9Å; L2653-I2690 HydrophobicContact CG-CG2 4.42Å; L2653-I2690 PolarHBondContact N-O 2.92Å; L2653-V2692 HydrophobicContact CB-CG2 3.72Å; L2653-V2692 HydrophobicContact CD1-CG2 4.34Å; L2653-V2692 VanDerWaalsContact N-CG2 3.29Å; L2653-M2705 HydrophobicContact CB-SD 4.16Å; L2653-M2705 HydrophobicContact CD1-CE 3.94Å; L2653-M2705 HydrophobicContact CD1-SD 3.88Å; L2653-M2705 HydrophobicContact CD2-CE 4.38Å; L2653-M2705 HydrophobicContact CD2-CG 4.49Å; L2653-M2705 HydrophobicContact CD2-SD 4.05Å; L2653-M2705 HydrophobicContact CG-SD 4.33Å
2654K84.4Confident84Confident147 Ų14761.1 Ų61.164%0.63933%0.329SS*.  trans-7991.7-179.6-57.4-172.3177.4-174.30110.3F2652 W2661F2652-K2654 PolarHBondContact O-N 2.78Å; F2652-K2654 VanDerWaalsContact O-N 3.15Å; K2654-W2661 HydrophobicContact CB-CD2 4.43Å; K2654-W2661 HydrophobicContact CB-CZ2 3.99Å; K2654-W2661 HydrophobicContact CD-CD2 4.32Å; K2654-W2661 HydrophobicContact CD-CE3 4.12Å; K2654-W2661 HydrophobicContact CD-CH2 3.66Å; K2654-W2661 HydrophobicContact CD-CZ2 3.81Å; K2654-W2661 HydrophobicContact CD-CZ3 3.92Å; K2654-W2661 VanDerWaalsContact CE-CZ3 3.46Å; K2654-W2661 HydrophobicContact CG-CD2 3.95Å; K2654-W2661 HydrophobicContact CG-CE3 4.18Å; K2654-W2661 HydrophobicContact CG-CG 4.46Å; K2654-W2661 HydrophobicContact CG-CH2 4.09Å; K2654-W2661 HydrophobicContact CG-CZ2 3.8Å; K2654-W2661 HydrophobicContact CG-CZ3 4.26Å
2655T75.4Confident84.6Confident52 Ų5258.7 Ų58.732%0.31932%0.319SS..  trans-85.8148.7178.437.80000111.4L2653 G2657 N2658 I2690L2653-T2655 HydrophobicContact CD2-CG2 4.02Å; L2653-T2655 HydrophobicContact CG-CG2 4.16Å; L2653-T2655 PolarHBondContact O-N 2.88Å; L2653-T2655 PolarHBondContact O-OG1 2.93Å; T2655-G2657 VanDerWaalsContact C-N 3.29Å; T2655-G2657 PolarHBondContact O-N 2.87Å; T2655-N2658 PolarHBondContact O-N 2.64Å; T2655-N2658 VanDerWaalsContact O-O 3.13Å; T2655-N2658 WeakPolarHBondContact OG1-CB 3.4Å; T2655-N2658 PolarHBondContact OG1-N 2.94Å; T2655-N2658 VanDerWaalsContact OG1-N 3.09Å; T2655-N2658 PolarHBondContact OG1-O 2.81Å; T2655-I2690 HydrophobicContact CG2-CD1 4.31Å
2656T72Confident85.3Confident150 Ų15058.6 Ų58.692%0.9232%0.319SS*.SBendtrans-71.1-21.5-177.225.40000114.2
2657G71.3Confident85.8Confident79.3333 Ų79.333360.7 Ų60.782%0.81833%0.325SS*.SBendtrans-101.3-16.6-178.800000115.4T2655T2655-G2657 VanDerWaalsContact C-N 3.29Å; T2655-G2657 PolarHBondContact O-N 2.87Å
2658N75.7Confident86.1Confident48.6667 Ų48.666762.1 Ų62.126%0.2633%0.332SS..  trans-131.5122-179.4-179.4-42.6000109.7T2655 D2660 W2661 S2688T2655-N2658 PolarHBondContact O-N 2.64Å; T2655-N2658 VanDerWaalsContact O-O 3.13Å; T2655-N2658 WeakPolarHBondContact OG1-CB 3.4Å; T2655-N2658 PolarHBondContact OG1-N 2.94Å; T2655-N2658 VanDerWaalsContact OG1-N 3.09Å; T2655-N2658 PolarHBondContact OG1-O 2.81Å; N2658-D2660 VanDerWaalsContact ND2-CG 3.31Å; N2658-D2660 PolarHBondContact ND2-OD2 3.13Å; N2658-D2660 VanDerWaalsContact ND2-OD2 3.1Å; N2658-D2660 VanDerWaalsContact OD1-CB 3.24Å; N2658-D2660 WeakPolarHBondContact OD1-CB 3.29Å; N2658-D2660 PolarHBondContact OD1-N 2.98Å; N2658-D2660 PolarHBondContact OD1-OD1 3.18Å; N2658-D2660 PolarHBondContact OD1-OD2 3.11Å; N2658-W2661 PolarHBondContact O-NE1 3.21Å; N2658-S2688 WeakPolarHBondContact ND2-CB 3.48Å; N2658-S2688 PolarHBondContact ND2-O 3.02Å; N2658-S2688 PolarHBondContact OD1-O 2.83Å
2659R84.1Confident86Confident156.667 Ų156.66766.3 Ų66.359%0.59135%0.352SS*.  trans-111.515.4-178.5-65.5-173.4-177.8-154.28.4113.4W2661 E2662R2659-W2661 PolarHBondContact O-N 2.9Å; R2659-E2662 HydrophobicContact CB-CG 4.34Å; R2659-E2662 IonicContact CZ-OE1 3.66Å; R2659-E2662 IonicContact NE-OE1 2.72Å; R2659-E2662 IonicContact NH1-OE1 3.63Å; R2659-E2662 PolarHBondContact NH1-OE1 3.09Å; R2659-E2662 IonicContact NH1-OE2 3.28Å; R2659-E2662 PolarHBondContact NH1-OE2 2.91Å; R2659-E2662 VanDerWaalsContact O-CB 3.29Å; R2659-E2662 WeakPolarHBondContact O-CB 3.34Å; R2659-E2662 WeakPolarHBondContact O-CG 3.36Å; R2659-E2662 PolarHBondContact O-N 3.18Å
2660D87.8Confident85.9Confident15.3333 Ų15.333364.2 Ų64.28%0.08235%0.351CS..G310 helixtrans-60-25.1-176.6-60.3-12.6000111.9N2658 E2662 Y2663 F2664 Q2684 Y2687 S2688 L2689N2658-D2660 VanDerWaalsContact ND2-CG 3.31Å; N2658-D2660 PolarHBondContact ND2-OD2 3.13Å; N2658-D2660 VanDerWaalsContact ND2-OD2 3.1Å; N2658-D2660 VanDerWaalsContact OD1-CB 3.24Å; N2658-D2660 WeakPolarHBondContact OD1-CB 3.29Å; N2658-D2660 PolarHBondContact OD1-N 2.98Å; N2658-D2660 PolarHBondContact OD1-OD1 3.18Å; N2658-D2660 PolarHBondContact OD1-OD2 3.11Å; D2660-E2662 PolarHBondContact O-N 3.11Å; D2660-Y2663 PolarHBondContact O-N 3.09Å; D2660-Y2663 VanDerWaalsContact O-N 3.17Å; D2660-F2664 WeakPolarHBondContact O-CD2 3.3Å; D2660-Q2684 VanDerWaalsContact CG-NE2 3.35Å; D2660-Q2684 PolarHBondContact OD1-NE2 2.98Å; D2660-Y2687 HydrophobicContact CB-CD1 4.01Å; D2660-Y2687 HydrophobicContact CB-CG 4.48Å; D2660-Y2687 WeakPolarHBondContact OD2-CA 3.26Å; D2660-S2688 WeakPolarHBondContact CB-O 3.29Å; D2660-S2688 PolarHBondContact OD2-N 3.15Å; D2660-L2689 VanDerWaalsContact C-CD2 3.45Å; D2660-L2689 HydrophobicContact CB-CD2 4.23Å; D2660-L2689 WeakPolarHBondContact O-CD2 3.49Å
2661W86.3Confident85.7Confident48.6667 Ų48.666763.5 Ų63.518%0.18435%0.348CS..G310 helixtrans-61.9-17.5172.163.6-93.9000114.4F2652 K2654 N2658 R2659 Y2663 F2664 L2689F2652-W2661 HydrophobicContact CB-CB 3.75Å; F2652-W2661 HydrophobicContact CB-CD2 4.5Å; F2652-W2661 HydrophobicContact CB-CG 4.1Å; F2652-W2661 HydrophobicContact CD1-CB 4.22Å; F2652-W2661 HydrophobicContact CD2-CB 4.09Å; F2652-W2661 HydrophobicContact CG-CB 3.97Å; K2654-W2661 HydrophobicContact CB-CD2 4.43Å; K2654-W2661 HydrophobicContact CB-CZ2 3.99Å; K2654-W2661 HydrophobicContact CD-CD2 4.32Å; K2654-W2661 HydrophobicContact CD-CE3 4.12Å; K2654-W2661 HydrophobicContact CD-CH2 3.66Å; K2654-W2661 HydrophobicContact CD-CZ2 3.81Å; K2654-W2661 HydrophobicContact CD-CZ3 3.92Å; K2654-W2661 VanDerWaalsContact CE-CZ3 3.46Å; K2654-W2661 HydrophobicContact CG-CD2 3.95Å; K2654-W2661 HydrophobicContact CG-CE3 4.18Å; K2654-W2661 HydrophobicContact CG-CG 4.46Å; K2654-W2661 HydrophobicContact CG-CH2 4.09Å; K2654-W2661 HydrophobicContact CG-CZ2 3.8Å; K2654-W2661 HydrophobicContact CG-CZ3 4.26Å; N2658-W2661 PolarHBondContact O-NE1 3.21Å; R2659-W2661 PolarHBondContact O-N 2.9Å; W2661-Y2663 VanDerWaalsContact C-N 3.27Å; W2661-Y2663 PolarHBondContact O-N 3.03Å; W2661-F2664 CarbonylContact O-C 3.59Å; W2661-F2664 PolarHBondContact O-N 3.13Å; W2661-L2689 VanDerWaalsContact CA-CD2 3.49Å; W2661-L2689 HydrophobicContact CB-CD2 4.27Å
2662E87.2Confident85.7Confident66.6667 Ų66.666763 Ų6331%0.31234%0.342SS..G310 helixtrans-72.2-20.4175.6-66.7177.8179.700112.2R2659 D2660 F2664 Q2677R2659-E2662 HydrophobicContact CB-CG 4.34Å; R2659-E2662 IonicContact CZ-OE1 3.66Å; R2659-E2662 IonicContact NE-OE1 2.72Å; R2659-E2662 IonicContact NH1-OE1 3.63Å; R2659-E2662 PolarHBondContact NH1-OE1 3.09Å; R2659-E2662 IonicContact NH1-OE2 3.28Å; R2659-E2662 PolarHBondContact NH1-OE2 2.91Å; R2659-E2662 VanDerWaalsContact O-CB 3.29Å; R2659-E2662 WeakPolarHBondContact O-CB 3.34Å; R2659-E2662 WeakPolarHBondContact O-CG 3.36Å; R2659-E2662 PolarHBondContact O-N 3.18Å; D2660-E2662 PolarHBondContact O-N 3.11Å; E2662-F2664 PolarHBondContact O-N 3.15Å; E2662-Q2677 PolarHBondContact O-NE2 2.92Å
2663Y88.9Confident85.7Confident54.3333 Ų54.333362.2 Ų62.221%0.21334%0.338CS..G310 helixtrans-85-8.7178.7-66.6-96000113.4D2660 W2661 A2676 Q2677 L2679 Y2687D2660-Y2663 PolarHBondContact O-N 3.09Å; D2660-Y2663 VanDerWaalsContact O-N 3.17Å; W2661-Y2663 VanDerWaalsContact C-N 3.27Å; W2661-Y2663 PolarHBondContact O-N 3.03Å; Y2663-A2676 WeakPolarHBondContact O-CB 3.37Å; Y2663-A2676 PolarHBondContact O-N 2.84Å; Y2663-Q2677 HydrophobicContact CD1-CB 3.95Å; Y2663-Q2677 HydrophobicContact CG-CB 4.46Å; Y2663-Q2677 PolarHBondContact O-N 3.31Å; Y2663-Q2677 VanDerWaalsContact O-N 3.16Å; Y2663-L2679 HydrophobicContact CD1-CD2 4.1Å; Y2663-L2679 HydrophobicContact CG-CD2 4.36Å; Y2663-Y2687 AromaticContact CD1-CE1 3.81Å; Y2663-Y2687 HydrophobicContact CD1-CE1 3.81Å; Y2663-Y2687 AromaticContact CD2-CD1 3.89Å; Y2663-Y2687 HydrophobicContact CD2-CD1 3.93Å; Y2663-Y2687 AromaticContact CD2-CE1 3.53Å; Y2663-Y2687 HydrophobicContact CD2-CE1 3.53Å; Y2663-Y2687 VanDerWaalsContact CD2-CE1 3.5Å; Y2663-Y2687 AromaticContact CE1-CE1 3.96Å; Y2663-Y2687 HydrophobicContact CE1-CE1 4.04Å; Y2663-Y2687 HydrophobicContact CE2-CD1 4.42Å; Y2663-Y2687 AromaticContact CE2-CE1 3.76Å; Y2663-Y2687 HydrophobicContact CE2-CE1 3.76Å; Y2663-Y2687 HydrophobicContact CG-CD1 4.11Å; Y2663-Y2687 AromaticContact CG-CE1 3.55Å; Y2663-Y2687 HydrophobicContact CG-CE1 3.55Å; Y2663-Y2687 AromaticContact CZ-CE1 3.93Å
2664F91.4Very high85.9Confident5.33333 Ų5.3333361.7 Ų61.72%0.02333%0.334CS..EExtended strand (participates in β ladder)trans-132143.3-176.3-58.1-90.4000111.2I2622 V2632 F2652 D2660 W2661 E2662 I2673 Q2674 T2675 A2676 L2679 Y2687 L2689 V2710I2622-F2664 HydrophobicContact CD1-CE1 4.47Å; V2632-F2664 HydrophobicContact CB-CD1 4.46Å; V2632-F2664 HydrophobicContact CG1-CD1 4.32Å; V2632-F2664 HydrophobicContact CG1-CE1 4.33Å; V2632-F2664 HydrophobicContact CG2-CD1 4.16Å; V2632-F2664 HydrophobicContact CG2-CE1 4.13Å; F2652-F2664 HydrophobicContact CE2-CB 3.96Å; F2652-F2664 WeakPolarHBondContact CE2-O 3.28Å; F2652-F2664 HydrophobicContact CZ-CB 4.02Å; D2660-F2664 WeakPolarHBondContact O-CD2 3.3Å; W2661-F2664 CarbonylContact O-C 3.59Å; W2661-F2664 PolarHBondContact O-N 3.13Å; E2662-F2664 PolarHBondContact O-N 3.15Å; F2664-I2673 HydrophobicContact CB-CG2 4.06Å; F2664-I2673 HydrophobicContact CD1-CG2 4.11Å; F2664-I2673 HydrophobicContact CG-CG2 4.39Å; F2664-Q2674 CarbonylContact C-O 3.52Å; F2664-Q2674 VanDerWaalsContact CA-O 3.25Å; F2664-Q2674 WeakPolarHBondContact CA-O 3.31Å; F2664-T2675 HydrophobicContact CE1-CG2 4.35Å; F2664-A2676 VanDerWaalsContact C-CB 3.49Å; F2664-L2679 HydrophobicContact CE1-CD1 4.12Å; F2664-L2679 HydrophobicContact CE2-CD2 4.39Å; F2664-L2679 HydrophobicContact CZ-CD1 4.06Å; F2664-L2679 HydrophobicContact CZ-CD2 4.12Å; F2664-Y2687 HydrophobicContact CE2-CD1 4.23Å; F2664-Y2687 HydrophobicContact CE2-CD2 4.35Å; F2664-Y2687 AromaticContact CE2-CG 3.85Å; F2664-Y2687 HydrophobicContact CE2-CG 3.94Å; F2664-Y2687 HydrophobicContact CZ-CD2 4.4Å; F2664-Y2687 HydrophobicContact CZ-CG 4.38Å; F2664-L2689 HydrophobicContact CB-CD1 4.38Å; F2664-L2689 HydrophobicContact CD1-CD1 4.46Å; F2664-L2689 HydrophobicContact CD2-CD1 3.87Å; F2664-L2689 HydrophobicContact CD2-CD2 3.73Å; F2664-L2689 VanDerWaalsContact CD2-CD2 3.46Å; F2664-L2689 HydrophobicContact CD2-CG 4.33Å; F2664-L2689 HydrophobicContact CE2-CD1 4.3Å; F2664-L2689 HydrophobicContact CE2-CD2 4.29Å; F2664-L2689 HydrophobicContact CG-CD1 4Å; F2664-L2689 HydrophobicContact CG-CD2 4.33Å; F2664-V2710 HydrophobicContact CE1-CG1 4.4Å; F2664-V2710 HydrophobicContact CE1-CG2 4.41Å; F2664-V2710 HydrophobicContact CE2-CG2 4.46Å; F2664-V2710 HydrophobicContact CZ-CB 4.16Å; F2664-V2710 HydrophobicContact CZ-CG1 4.04Å; F2664-V2710 HydrophobicContact CZ-CG2 4.13Å
2665T90.2Very high86.2Confident64.6667 Ų64.666754.7 Ų54.740%0.39730%0.304SS..EExtended strand (participates in β ladder)trans-105.1144.1167.753.70000109.6I2673 Q2674 A2676T2665-I2673 CarbonylContact O-C 3.55Å; T2665-I2673 VanDerWaalsContact O-CA 3.27Å; T2665-I2673 WeakPolarHBondContact O-CA 3.39Å; T2665-Q2674 PolarHBondContact N-O 3.01Å; T2665-Q2674 PolarHBondContact O-N 2.99Å; T2665-A2676 HydrophobicContact CG2-CB 3.71Å; T2665-A2676 VanDerWaalsContact CG2-CB 3.44Å
2666I93Very high86.7Confident22 Ų2254.1 Ų54.111%0.11330%0.304CS..EExtended strand (participates in β ladder)trans-118.1128.7168.6-172.3166.2000109.1V2635 F2652 P2668 L2672 I2673 L2691V2635-I2666 HydrophobicContact CB-CD1 4.48Å; V2635-I2666 HydrophobicContact CG1-CD1 4.21Å; V2635-I2666 HydrophobicContact CG2-CD1 3.78Å; V2635-I2666 VanDerWaalsContact CG2-CD1 3.42Å; V2635-I2666 HydrophobicContact CG2-CG1 4.36Å; F2652-I2666 HydrophobicContact CD2-CB 4.23Å; F2652-I2666 HydrophobicContact CD2-CG2 3.68Å; F2652-I2666 HydrophobicContact CE1-CB 4.49Å; F2652-I2666 HydrophobicContact CE1-CD1 4.45Å; F2652-I2666 HydrophobicContact CE2-CB 3.72Å; F2652-I2666 HydrophobicContact CE2-CG2 3.71Å; F2652-I2666 HydrophobicContact CG-CG2 4.14Å; F2652-I2666 HydrophobicContact CZ-CB 3.88Å; F2652-I2666 HydrophobicContact CZ-CG2 4.21Å; I2666-P2668 WeakPolarHBondContact O-CD 3.42Å; I2666-L2672 CarbonylContact C-O 3.53Å; I2666-L2672 WeakPolarHBondContact CA-O 3.4Å; I2666-I2673 HydrophobicContact CB-CG1 4.36Å; I2666-I2673 HydrophobicContact CD1-CD1 4.4Å; I2666-I2673 HydrophobicContact CD1-CG1 4.09Å; I2666-I2673 HydrophobicContact CG1-CG1 4.13Å; I2666-L2691 HydrophobicContact CD1-CD2 3.98Å
2667D89.9Confident87.3Confident64.3333 Ų64.333350.9 Ų50.934%0.34428%0.279SS..  trans-69.1119.5172.1177.3-12.2000109.3I2669 S2670 G2671 L2672D2667-I2669 PolarHBondContact O-N 2.89Å; D2667-I2669 VanDerWaalsContact O-N 3.09Å; D2667-I2669 WeakPolarHBondContact OD1-CA 3.29Å; D2667-I2669 PolarHBondContact OD1-N 3.21Å; D2667-S2670 VanDerWaalsContact CB-OG 3.29Å; D2667-S2670 WeakPolarHBondContact CB-OG 3.27Å; D2667-S2670 PolarHBondContact OD1-N 3.11Å; D2667-S2670 VanDerWaalsContact OD1-N 3.12Å; D2667-S2670 VanDerWaalsContact OD2-CB 3.26Å; D2667-S2670 WeakPolarHBondContact OD2-CB 3.23Å; D2667-S2670 PolarHBondContact OD2-N 2.93Å; D2667-S2670 PolarHBondContact OD2-OG 3.02Å; D2667-G2671 VanDerWaalsContact O-CA 3.31Å; D2667-G2671 WeakPolarHBondContact O-CA 3.42Å; D2667-G2671 PolarHBondContact O-N 2.76Å; D2667-L2672 HydrophobicContact CB-CB 4.29Å; D2667-L2672 PolarHBondContact N-O 3.07Å
2668P88.7Confident87.8Confident61 Ų6154.6 Ų54.640%0.39627%0.268SS..THydrogen-bonded Turntrans-65.8-11.3-177.5-5.411.9000114.8R2649 Y2650 I2666R2649-P2668 CarbonylContact C-O 3.59Å; R2649-P2668 VanDerWaalsContact CA-O 3.3Å; R2649-P2668 WeakPolarHBondContact CA-O 3.42Å; R2649-P2668 WeakPolarHBondContact CD-O 3.48Å; Y2650-P2668 WeakPolarHBondContact CD2-O 3.14Å; Y2650-P2668 PolarHBondContact N-O 3.05Å; Y2650-P2668 VanDerWaalsContact N-O 3.13Å; Y2650-P2668 WeakPolarHBondContact O-CA 3.32Å; Y2650-P2668 WeakPolarHBondContact O-CB 3.41Å; I2666-P2668 WeakPolarHBondContact O-CD 3.42Å
2669I86.4Confident88.3Confident118 Ų11852.3 Ų52.361%0.60526%0.255SS*.THydrogen-bonded Turntrans-107.9-50.7179-57.8175000110.9R2649 D2667R2649-I2669 VanDerWaalsContact NH1-CG1 3.29Å; D2667-I2669 PolarHBondContact O-N 2.89Å; D2667-I2669 VanDerWaalsContact O-N 3.09Å; D2667-I2669 WeakPolarHBondContact OD1-CA 3.29Å; D2667-I2669 PolarHBondContact OD1-N 3.21Å
2670S87.8Confident88.3Confident49 Ų4946.5 Ų46.534%0.34324%0.236SC..THydrogen-bonded Turntrans-85.5-18.8-17772.40000114.5D2667 L2672D2667-S2670 VanDerWaalsContact CB-OG 3.29Å; D2667-S2670 WeakPolarHBondContact CB-OG 3.27Å; D2667-S2670 PolarHBondContact OD1-N 3.11Å; D2667-S2670 VanDerWaalsContact OD1-N 3.12Å; D2667-S2670 VanDerWaalsContact OD2-CB 3.26Å; D2667-S2670 WeakPolarHBondContact OD2-CB 3.23Å; D2667-S2670 PolarHBondContact OD2-N 2.93Å; D2667-S2670 PolarHBondContact OD2-OG 3.02Å; S2670-L2672 PolarHBondContact O-N 2.93Å; S2670-L2672 WeakPolarHBondContact OG-CB 3.29Å; S2670-L2672 PolarHBondContact OG-N 2.97Å
2671G89Confident88.4Confident0 Ų047.7 Ų47.70%024%0.24CC..  trans73.210.1-174.600000114.2V2635 Y2650 D2667 I2673V2635-G2671 WeakPolarHBondContact CG2-O 3.36Å; V2635-G2671 PolarHBondContact N-O 3Å; Y2650-G2671 VanDerWaalsContact CD2-CA 3.42Å; D2667-G2671 VanDerWaalsContact O-CA 3.31Å; D2667-G2671 WeakPolarHBondContact O-CA 3.42Å; D2667-G2671 PolarHBondContact O-N 2.76Å; G2671-I2673 PolarHBondContact O-N 2.94Å
2672L91.9Very high88.3Confident41.3333 Ų41.333348.3 Ų48.322%0.21625%0.245CC..EExtended strand (participates in β ladder)trans-69.5121.4176.5-177.367.7000110.9N2631 E2634 I2666 D2667 S2670 Q2674N2631-L2672 HydrophobicContact CB-CD1 4.22Å; E2634-L2672 HydrophobicContact CB-CD1 4.08Å; E2634-L2672 HydrophobicContact CG-CD1 4.41Å; I2666-L2672 CarbonylContact C-O 3.53Å; I2666-L2672 WeakPolarHBondContact CA-O 3.4Å; D2667-L2672 HydrophobicContact CB-CB 4.29Å; D2667-L2672 PolarHBondContact N-O 3.07Å; S2670-L2672 PolarHBondContact O-N 2.93Å; S2670-L2672 WeakPolarHBondContact OG-CB 3.29Å; S2670-L2672 PolarHBondContact OG-N 2.97Å; L2672-Q2674 HydrophobicContact CD2-CG 3.92Å; L2672-Q2674 HydrophobicContact CG-CG 3.89Å
2673I91.8Very high88Confident1 Ų152.6 Ų52.61%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-90.8125.1171.1-57.5177000109V2632 Y2633 V2635 F2652 F2664 T2665 I2666 G2671 L2691 L2708V2632-I2673 WeakPolarHBondContact CA-O 3.5Å; V2632-I2673 HydrophobicContact CB-CG2 4.17Å; V2632-I2673 WeakPolarHBondContact CB-O 3.38Å; V2632-I2673 PolarHBondContact N-O 3.18Å; Y2633-I2673 PolarHBondContact N-O 3.13Å; Y2633-I2673 VanDerWaalsContact N-O 3.08Å; Y2633-I2673 VanDerWaalsContact O-CA 3.3Å; Y2633-I2673 WeakPolarHBondContact O-CA 3.4Å; Y2633-I2673 WeakPolarHBondContact O-CB 3.46Å; Y2633-I2673 PolarHBondContact O-N 3.11Å; Y2633-I2673 VanDerWaalsContact O-O 3.14Å; V2635-I2673 HydrophobicContact CG1-CD1 3.85Å; V2635-I2673 HydrophobicContact CG1-CG1 4.29Å; F2652-I2673 HydrophobicContact CE1-CD1 4.18Å; F2652-I2673 HydrophobicContact CZ-CD1 4.16Å; F2652-I2673 HydrophobicContact CZ-CG1 4.14Å; F2652-I2673 HydrophobicContact CZ-CG2 4.06Å; F2664-I2673 HydrophobicContact CB-CG2 4.06Å; F2664-I2673 HydrophobicContact CD1-CG2 4.11Å; F2664-I2673 HydrophobicContact CG-CG2 4.39Å; T2665-I2673 CarbonylContact O-C 3.55Å; T2665-I2673 VanDerWaalsContact O-CA 3.27Å; T2665-I2673 WeakPolarHBondContact O-CA 3.39Å; I2666-I2673 HydrophobicContact CB-CG1 4.36Å; I2666-I2673 HydrophobicContact CD1-CD1 4.4Å; I2666-I2673 HydrophobicContact CD1-CG1 4.09Å; I2666-I2673 HydrophobicContact CG1-CG1 4.13Å; G2671-I2673 PolarHBondContact O-N 2.94Å; I2673-L2691 HydrophobicContact CD1-CD2 3.86Å; I2673-L2708 HydrophobicContact CD1-CD2 3.81Å
2674Q91.3Very high87.8Confident50.6667 Ų50.666752.6 Ų52.624%0.23726%0.264CS..EExtended strand (participates in β ladder)trans-126.5159.1176-51.7-174.4-66.900111.1R2629 S2630 N2631 F2664 T2665 L2672 A2676R2629-Q2674 PolarHBondContact O-NE2 2.87Å; R2629-Q2674 VanDerWaalsContact O-NE2 3.15Å; S2630-Q2674 CarbonylContact O-C 3.46Å; S2630-Q2674 VanDerWaalsContact O-CA 3.29Å; S2630-Q2674 WeakPolarHBondContact O-CA 3.27Å; S2630-Q2674 WeakPolarHBondContact O-CB 3.4Å; N2631-Q2674 PolarHBondContact OD1-NE2 2.95Å; F2664-Q2674 CarbonylContact C-O 3.52Å; F2664-Q2674 VanDerWaalsContact CA-O 3.25Å; F2664-Q2674 WeakPolarHBondContact CA-O 3.31Å; T2665-Q2674 PolarHBondContact N-O 3.01Å; T2665-Q2674 PolarHBondContact O-N 2.99Å; L2672-Q2674 HydrophobicContact CD2-CG 3.92Å; L2672-Q2674 HydrophobicContact CG-CG 3.89Å; Q2674-A2676 PolarHBondContact O-N 3.39Å
2675T89.3Confident87.4Confident0.333333 Ų0.33333354.4 Ų54.40%0.00228%0.28CS..EExtended strand (participates in β ladder)trans-67122.2170.951.80000110.4I2626 P2627 R2629 S2630 V2632 F2664 L2679I2626-T2675 HydrophobicContact CG2-CG2 4.11Å; P2627-T2675 PolarHBondContact O-OG1 3.02Å; P2627-T2675 VanDerWaalsContact O-OG1 3.06Å; R2629-T2675 VanDerWaalsContact CA-O 3.28Å; R2629-T2675 WeakPolarHBondContact CA-O 3.33Å; R2629-T2675 PolarHBondContact N-O 3.22Å; R2629-T2675 PolarHBondContact N-OG1 3.14Å; R2629-T2675 VanDerWaalsContact N-OG1 3.09Å; S2630-T2675 PolarHBondContact N-OG1 3.01Å; S2630-T2675 VanDerWaalsContact N-OG1 3.09Å; S2630-T2675 PolarHBondContact O-N 2.93Å; S2630-T2675 VanDerWaalsContact O-N 3.1Å; V2632-T2675 HydrophobicContact CG2-CG2 3.76Å; F2664-T2675 HydrophobicContact CE1-CG2 4.35Å; T2675-L2679 HydrophobicContact CG2-CD1 3.8Å; T2675-L2679 HydrophobicContact CG2-CG 4.38Å
2676A85.8Confident87.3Confident39 Ų3954.7 Ų54.732%0.32228%0.282SS..SBendtrans-88.6-34.7174.800000111.6Y2663 F2664 T2665 Q2674Y2663-A2676 WeakPolarHBondContact O-CB 3.37Å; Y2663-A2676 PolarHBondContact O-N 2.84Å; F2664-A2676 VanDerWaalsContact C-CB 3.49Å; T2665-A2676 HydrophobicContact CG2-CB 3.71Å; T2665-A2676 VanDerWaalsContact CG2-CB 3.44Å; Q2674-A2676 PolarHBondContact O-N 3.39Å
2677Q84.6Confident87.1Confident83.3333 Ų83.333353.8 Ų53.839%0.38928%0.277SS..SBendtrans-125.5166.7-179.3-59.2-171.848.100109.9E2662 Y2663E2662-Q2677 PolarHBondContact O-NE2 2.92Å; Y2663-Q2677 HydrophobicContact CD1-CB 3.95Å; Y2663-Q2677 HydrophobicContact CG-CB 4.46Å; Y2663-Q2677 PolarHBondContact O-N 3.31Å; Y2663-Q2677 VanDerWaalsContact O-N 3.16Å
2678R82.7Confident87.1Confident155.667 Ų155.66752.6 Ų52.659%0.58727%0.273SS*.  trans-68.7140.6170.7-98.5-173.5-178.8-162.4-6.1108.5E2625 L2628E2625-R2678 VanDerWaalsContact CD-CZ 3.44Å; E2625-R2678 VanDerWaalsContact OE1-CD 3.23Å; E2625-R2678 WeakPolarHBondContact OE1-CD 3.26Å; E2625-R2678 WeakPolarHBondContact OE1-CG 3.38Å; E2625-R2678 IonicContact OE1-CZ 3.81Å; E2625-R2678 IonicContact OE1-NE 3.05Å; E2625-R2678 PolarHBondContact OE1-NE 2.92Å; E2625-R2678 IonicContact OE1-NH1 3.32Å; E2625-R2678 PolarHBondContact OE1-NH1 3.38Å; E2625-R2678 IonicContact OE1-NH2 3.44Å; E2625-R2678 PolarHBondContact OE1-NH2 3.47Å; E2625-R2678 IonicContact OE2-CZ 3.02Å; E2625-R2678 IonicContact OE2-NE 3.66Å; E2625-R2678 PolarHBondContact OE2-NE 3.02Å; E2625-R2678 IonicContact OE2-NH1 3.28Å; E2625-R2678 PolarHBondContact OE2-NH1 2.86Å; E2625-R2678 IonicContact OE2-NH2 2.78Å; E2625-R2678 PolarHBondContact OE2-NH2 2.98Å; L2628-R2678 HydrophobicContact CD2-CB 4.34Å; L2628-R2678 HydrophobicContact CD2-CG 4.24Å; L2628-R2678 VanDerWaalsContact CD2-N 3.29Å; L2628-R2678 HydrophobicContact CG-CG 4.43Å
2679L86.9Confident87.1Confident0 Ų049.8 Ų49.80%026%0.255CS..  trans-106.2130.2180-60.6177.2000107.9I2622 E2624 E2625 Y2663 F2664 T2675 Y2687 L2712I2622-L2679 HydrophobicContact CD1-CD1 3.49Å; I2622-L2679 HydrophobicContact CG1-CD1 4.25Å; E2624-L2679 WeakPolarHBondContact CA-O 3.38Å; E2624-L2679 WeakPolarHBondContact CB-O 3.26Å; E2625-L2679 PolarHBondContact N-O 3Å; Y2663-L2679 HydrophobicContact CD1-CD2 4.1Å; Y2663-L2679 HydrophobicContact CG-CD2 4.36Å; F2664-L2679 HydrophobicContact CE1-CD1 4.12Å; F2664-L2679 HydrophobicContact CE2-CD2 4.39Å; F2664-L2679 HydrophobicContact CZ-CD1 4.06Å; F2664-L2679 HydrophobicContact CZ-CD2 4.12Å; T2675-L2679 HydrophobicContact CG2-CD1 3.8Å; T2675-L2679 HydrophobicContact CG2-CG 4.38Å; L2679-Y2687 HydrophobicContact CD2-CD2 4.45Å; L2679-Y2687 HydrophobicContact CD2-CE1 4.29Å; L2679-Y2687 HydrophobicContact CD2-CE2 3.94Å; L2679-L2712 HydrophobicContact CB-CD1 4.04Å; L2679-L2712 HydrophobicContact CB-CD2 3.91Å; L2679-L2712 HydrophobicContact CD1-CD2 4.11Å; L2679-L2712 HydrophobicContact CG-CD2 4.45Å
2680D84.2Confident87.3Confident35 Ų3546.7 Ų46.719%0.18724%0.239CC..  trans-143.7119.8-164.6164.8-40.2000106.1E2682 K2683 Q2684D2680-E2682 WeakPolarHBondContact OD1-CB 3.48Å; D2680-E2682 PolarHBondContact OD1-N 2.86Å; D2680-K2683 HydrophobicContact CB-CB 4.44Å; D2680-K2683 HydrophobicContact CB-CD 4.32Å; D2680-K2683 VanDerWaalsContact CG-NZ 3.29Å; D2680-K2683 VanDerWaalsContact OD1-CB 3.28Å; D2680-K2683 WeakPolarHBondContact OD1-CB 3.41Å; D2680-K2683 WeakPolarHBondContact OD1-CD 3.48Å; D2680-K2683 VanDerWaalsContact OD1-CG 3.31Å; D2680-K2683 WeakPolarHBondContact OD1-CG 3.2Å; D2680-K2683 PolarHBondContact OD1-N 3.31Å; D2680-K2683 IonicContact OD1-NZ 3.14Å; D2680-K2683 PolarHBondContact OD1-NZ 2.91Å; D2680-K2683 WeakPolarHBondContact OD2-CD 3.5Å; D2680-K2683 WeakPolarHBondContact OD2-CE 3.48Å; D2680-K2683 WeakPolarHBondContact OD2-CG 3.44Å; D2680-K2683 IonicContact OD2-NZ 2.76Å; D2680-K2683 PolarHBondContact OD2-NZ 2.85Å; D2680-Q2684 PolarHBondContact O-N 3.08Å; D2680-Q2684 VanDerWaalsContact O-N 3.16Å
2681R88.3Confident87.4Confident41.3333 Ų41.333344.4 Ų44.416%0.15622%0.223CC..Hα-helixtrans-77-35.2-169.7-174.8-155.768.4107.55.4111.1E2624 K2683 Q2684 A2685 L2712 D2714 A2756 D2757 E2758E2624-R2681 HydrophobicContact CB-CB 4.16Å; E2624-R2681 WeakPolarHBondContact OE2-CA 3.42Å; E2624-R2681 WeakPolarHBondContact OE2-CB 3.38Å; E2624-R2681 PolarHBondContact OE2-N 3.02Å; R2681-K2683 VanDerWaalsContact C-N 3.25Å; R2681-K2683 PolarHBondContact O-N 2.9Å; R2681-Q2684 CarbonylContact O-C 3.51Å; R2681-Q2684 PolarHBondContact O-N 3.2Å; R2681-Q2684 VanDerWaalsContact O-N 3.14Å; R2681-A2685 HydrophobicContact CG-CB 3.91Å; R2681-A2685 PolarHBondContact O-N 2.92Å; R2681-A2685 VanDerWaalsContact O-N 3.16Å; R2681-L2712 HydrophobicContact CB-CB 4.09Å; R2681-L2712 HydrophobicContact CB-CD1 4.19Å; R2681-L2712 HydrophobicContact CG-CB 4.17Å; R2681-D2714 IonicContact CZ-OD1 3.36Å; R2681-D2714 IonicContact NE-OD1 3.67Å; R2681-D2714 PolarHBondContact NE-OD1 2.84Å; R2681-D2714 IonicContact NH1-OD1 3.11Å; R2681-D2714 IonicContact NH2-OD1 2.94Å; R2681-D2714 PolarHBondContact NH2-OD1 3.02Å; R2681-A2756 PolarHBondContact NH2-O 2.9Å; R2681-A2756 VanDerWaalsContact NH2-O 3.13Å; R2681-D2757 VanDerWaalsContact NH2-C 3.27Å; R2681-E2758 IonicContact CZ-OE2 2.68Å; R2681-E2758 IonicContact NH1-OE2 3.17Å; R2681-E2758 PolarHBondContact NH1-OE2 2.8Å
2682E84.5Confident87.5Confident62 Ų6244.7 Ų44.729%0.2923%0.225SC..Hα-helixtrans-62.8-32.2179.5-67.856.1-113.500110.5E2624 D2680 A2756E2624-E2682 VanDerWaalsContact OE2-OE2 3.07Å; D2680-E2682 WeakPolarHBondContact OD1-CB 3.48Å; D2680-E2682 PolarHBondContact OD1-N 2.86Å; E2682-A2756 HydrophobicContact CG-CB 3.84Å
2683K81.9Confident87.5Confident157 Ų15742.7 Ų42.768%0.68321%0.214SC*.Hα-helixtrans-78.3-53.2168.5-72.3179.5-172.577.80112.9D2680 R2681D2680-K2683 HydrophobicContact CB-CB 4.44Å; D2680-K2683 HydrophobicContact CB-CD 4.32Å; D2680-K2683 VanDerWaalsContact CG-NZ 3.29Å; D2680-K2683 VanDerWaalsContact OD1-CB 3.28Å; D2680-K2683 WeakPolarHBondContact OD1-CB 3.41Å; D2680-K2683 WeakPolarHBondContact OD1-CD 3.48Å; D2680-K2683 VanDerWaalsContact OD1-CG 3.31Å; D2680-K2683 WeakPolarHBondContact OD1-CG 3.2Å; D2680-K2683 PolarHBondContact OD1-N 3.31Å; D2680-K2683 IonicContact OD1-NZ 3.14Å; D2680-K2683 PolarHBondContact OD1-NZ 2.91Å; D2680-K2683 WeakPolarHBondContact OD2-CD 3.5Å; D2680-K2683 WeakPolarHBondContact OD2-CE 3.48Å; D2680-K2683 WeakPolarHBondContact OD2-CG 3.44Å; D2680-K2683 IonicContact OD2-NZ 2.76Å; D2680-K2683 PolarHBondContact OD2-NZ 2.85Å; R2681-K2683 VanDerWaalsContact C-N 3.25Å; R2681-K2683 PolarHBondContact O-N 2.9Å
2684Q84.1Confident87.4Confident54.3333 Ų54.333343.8 Ų43.825%0.25422%0.222SC..Hα-helixtrans-156.5100-175-177.2170.3-12.400112.8D2660 D2680 R2681 V2686 Y2687 L2712D2660-Q2684 VanDerWaalsContact CG-NE2 3.35Å; D2660-Q2684 PolarHBondContact OD1-NE2 2.98Å; D2680-Q2684 PolarHBondContact O-N 3.08Å; D2680-Q2684 VanDerWaalsContact O-N 3.16Å; R2681-Q2684 CarbonylContact O-C 3.51Å; R2681-Q2684 PolarHBondContact O-N 3.2Å; R2681-Q2684 VanDerWaalsContact O-N 3.14Å; Q2684-V2686 VanDerWaalsContact C-N 3.28Å; Q2684-V2686 WeakPolarHBondContact CG-O 3.42Å; Q2684-V2686 PolarHBondContact NE2-O 3.05Å; Q2684-V2686 PolarHBondContact O-N 3.16Å; Q2684-V2686 VanDerWaalsContact O-N 3.11Å; Q2684-Y2687 HydrophobicContact CB-CE1 4.16Å; Q2684-Y2687 HydrophobicContact CB-CE2 4.44Å; Q2684-Y2687 VanDerWaalsContact CD-CE1 3.49Å; Q2684-Y2687 HydrophobicContact CG-CD1 4.29Å; Q2684-Y2687 HydrophobicContact CG-CE1 3.91Å; Q2684-Y2687 HydrophobicContact CG-CE2 4.34Å; Q2684-Y2687 VanDerWaalsContact O-CE2 3.23Å; Q2684-Y2687 WeakPolarHBondContact O-CE2 3.32Å; Q2684-Y2687 PolarHBondContact O-OH 3.13Å; Q2684-L2712 WeakPolarHBondContact O-CD1 3.43Å
2685A83.8Confident87.2Confident42 Ų4241.5 Ų41.535%0.34721%0.211SC..SBendtrans-67.1-19.7-179.300000115.9R2681 A2711 L2712R2681-A2685 HydrophobicContact CG-CB 3.91Å; R2681-A2685 PolarHBondContact O-N 2.92Å; R2681-A2685 VanDerWaalsContact O-N 3.16Å; A2685-A2711 CarbonylContact O-C 3.55Å; A2685-A2711 VanDerWaalsContact O-CA 3.25Å; A2685-A2711 WeakPolarHBondContact O-CA 3.34Å; A2685-L2712 PolarHBondContact O-N 2.92Å
2686V88.5Confident86.8Confident72.3333 Ų72.333344.5 Ų44.544%0.43823%0.227SC..EExtended strand (participates in β ladder)trans-142133.2-176.3-175.10000112.3Q2684 V2710 A2711Q2684-V2686 VanDerWaalsContact C-N 3.28Å; Q2684-V2686 WeakPolarHBondContact CG-O 3.42Å; Q2684-V2686 PolarHBondContact NE2-O 3.05Å; Q2684-V2686 PolarHBondContact O-N 3.16Å; Q2684-V2686 VanDerWaalsContact O-N 3.11Å; V2686-V2710 CarbonylContact C-O 3.51Å; V2686-V2710 VanDerWaalsContact CA-O 3.29Å; V2686-V2710 WeakPolarHBondContact CA-O 3.31Å; V2686-A2711 HydrophobicContact CG2-CB 4.26Å
2687Y88.7Confident86.1Confident1.33333 Ų1.3333342.8 Ų42.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-119.5137178.4-60.6-90.4000110.9D2660 Y2663 F2664 L2679 Q2684 Q2709 V2710 L2712D2660-Y2687 HydrophobicContact CB-CD1 4.01Å; D2660-Y2687 HydrophobicContact CB-CG 4.48Å; D2660-Y2687 WeakPolarHBondContact OD2-CA 3.26Å; Y2663-Y2687 AromaticContact CD1-CE1 3.81Å; Y2663-Y2687 HydrophobicContact CD1-CE1 3.81Å; Y2663-Y2687 AromaticContact CD2-CD1 3.89Å; Y2663-Y2687 HydrophobicContact CD2-CD1 3.93Å; Y2663-Y2687 AromaticContact CD2-CE1 3.53Å; Y2663-Y2687 HydrophobicContact CD2-CE1 3.53Å; Y2663-Y2687 VanDerWaalsContact CD2-CE1 3.5Å; Y2663-Y2687 AromaticContact CE1-CE1 3.96Å; Y2663-Y2687 HydrophobicContact CE1-CE1 4.04Å; Y2663-Y2687 HydrophobicContact CE2-CD1 4.42Å; Y2663-Y2687 AromaticContact CE2-CE1 3.76Å; Y2663-Y2687 HydrophobicContact CE2-CE1 3.76Å; Y2663-Y2687 HydrophobicContact CG-CD1 4.11Å; Y2663-Y2687 AromaticContact CG-CE1 3.55Å; Y2663-Y2687 HydrophobicContact CG-CE1 3.55Å; Y2663-Y2687 AromaticContact CZ-CE1 3.93Å; F2664-Y2687 HydrophobicContact CE2-CD1 4.23Å; F2664-Y2687 HydrophobicContact CE2-CD2 4.35Å; F2664-Y2687 AromaticContact CE2-CG 3.85Å; F2664-Y2687 HydrophobicContact CE2-CG 3.94Å; F2664-Y2687 HydrophobicContact CZ-CD2 4.4Å; F2664-Y2687 HydrophobicContact CZ-CG 4.38Å; L2679-Y2687 HydrophobicContact CD2-CD2 4.45Å; L2679-Y2687 HydrophobicContact CD2-CE1 4.29Å; L2679-Y2687 HydrophobicContact CD2-CE2 3.94Å; Q2684-Y2687 HydrophobicContact CB-CE1 4.16Å; Q2684-Y2687 HydrophobicContact CB-CE2 4.44Å; Q2684-Y2687 VanDerWaalsContact CD-CE1 3.49Å; Q2684-Y2687 HydrophobicContact CG-CD1 4.29Å; Q2684-Y2687 HydrophobicContact CG-CE1 3.91Å; Q2684-Y2687 HydrophobicContact CG-CE2 4.34Å; Q2684-Y2687 VanDerWaalsContact O-CE2 3.23Å; Q2684-Y2687 WeakPolarHBondContact O-CE2 3.32Å; Q2684-Y2687 PolarHBondContact O-OH 3.13Å; Y2687-Q2709 CarbonylContact O-C 3.37Å; Y2687-Q2709 WeakPolarHBondContact O-CA 3.35Å; Y2687-V2710 PolarHBondContact N-O 2.95Å; Y2687-V2710 PolarHBondContact O-N 2.75Å; Y2687-L2712 HydrophobicContact CE2-CD1 3.9Å; Y2687-L2712 HydrophobicContact CE2-CG 4.17Å
2688S88.8Confident85.1Confident39 Ų3946.4 Ų46.427%0.27323%0.231SC..EExtended strand (participates in β ladder)trans-122109.1-178.7-62.10000111.7N2658 D2660 L2708 Q2709N2658-S2688 WeakPolarHBondContact ND2-CB 3.48Å; N2658-S2688 PolarHBondContact ND2-O 3.02Å; N2658-S2688 PolarHBondContact OD1-O 2.83Å; D2660-S2688 WeakPolarHBondContact CB-O 3.29Å; D2660-S2688 PolarHBondContact OD2-N 3.15Å; S2688-L2708 CarbonylContact C-O 3.6Å; S2688-Q2709 PolarHBondContact OG-NE2 3.04Å
2689L89.1Confident84.3Confident2.66667 Ų2.6666745.1 Ų45.11%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-101.5149.4-176.3-53174.5000111.1F2652 D2660 W2661 F2664 P2707 L2708 V2710F2652-L2689 HydrophobicContact CD1-CB 4.32Å; F2652-L2689 HydrophobicContact CE1-CB 4.07Å; F2652-L2689 HydrophobicContact CE1-CD1 3.97Å; F2652-L2689 HydrophobicContact CE1-CD2 4.33Å; F2652-L2689 HydrophobicContact CE1-CG 4.32Å; F2652-L2689 HydrophobicContact CZ-CD1 4.13Å; D2660-L2689 VanDerWaalsContact C-CD2 3.45Å; D2660-L2689 HydrophobicContact CB-CD2 4.23Å; D2660-L2689 WeakPolarHBondContact O-CD2 3.49Å; W2661-L2689 VanDerWaalsContact CA-CD2 3.49Å; W2661-L2689 HydrophobicContact CB-CD2 4.27Å; F2664-L2689 HydrophobicContact CB-CD1 4.38Å; F2664-L2689 HydrophobicContact CD1-CD1 4.46Å; F2664-L2689 HydrophobicContact CD2-CD1 3.87Å; F2664-L2689 HydrophobicContact CD2-CD2 3.73Å; F2664-L2689 VanDerWaalsContact CD2-CD2 3.46Å; F2664-L2689 HydrophobicContact CD2-CG 4.33Å; F2664-L2689 HydrophobicContact CE2-CD1 4.3Å; F2664-L2689 HydrophobicContact CE2-CD2 4.29Å; F2664-L2689 HydrophobicContact CG-CD1 4Å; F2664-L2689 HydrophobicContact CG-CD2 4.33Å; L2689-P2707 CarbonylContact O-C 3.49Å; L2689-P2707 VanDerWaalsContact O-CA 3.25Å; L2689-P2707 WeakPolarHBondContact O-CA 3.24Å; L2689-L2708 WeakPolarHBondContact CA-O 3.23Å; L2689-L2708 HydrophobicContact CB-CB 4.37Å; L2689-L2708 HydrophobicContact CD1-CD2 4.17Å; L2689-L2708 PolarHBondContact N-O 3.11Å; L2689-L2708 PolarHBondContact O-N 3.12Å; L2689-L2708 VanDerWaalsContact O-O 3.06Å; L2689-V2710 HydrophobicContact CD1-CG2 4.13Å
2690I89.9Confident83.7Confident54.3333 Ų54.333349.5 Ų49.528%0.27927%0.269SS..EExtended strand (participates in β ladder)trans-124.8117.8171-58.8172000107.9F2652 L2653 T2655 M2705 Q2706 P2707F2652-I2690 CarbonylContact C-O 3.42Å; F2652-I2690 VanDerWaalsContact CA-O 3.29Å; F2652-I2690 WeakPolarHBondContact CA-O 3.37Å; L2653-I2690 HydrophobicContact CB-CB 3.91Å; L2653-I2690 HydrophobicContact CB-CG2 3.7Å; L2653-I2690 HydrophobicContact CD2-CB 4.47Å; L2653-I2690 HydrophobicContact CD2-CD1 4.24Å; L2653-I2690 HydrophobicContact CD2-CG2 3.9Å; L2653-I2690 HydrophobicContact CG-CG2 4.42Å; L2653-I2690 PolarHBondContact N-O 2.92Å; T2655-I2690 HydrophobicContact CG2-CD1 4.31Å; I2690-M2705 HydrophobicContact CG2-CB 4.38Å; I2690-Q2706 CarbonylContact C-O 3.5Å; I2690-P2707 HydrophobicContact CG1-CB 4.39Å
2691L91.3Very high83.5Confident0.333333 Ų0.33333350.8 Ų50.80%0.00228%0.279CS..EExtended strand (participates in β ladder)trans-84.9144.7-179.9-54.7168.8000110.2F2611 P2614 V2635 S2651 F2652 I2666 I2673 M2705 Q2706 L2708F2611-L2691 HydrophobicContact CE1-CB 4.3Å; F2611-L2691 HydrophobicContact CE2-CB 4.27Å; F2611-L2691 HydrophobicContact CZ-CB 3.72Å; P2614-L2691 VanDerWaalsContact CD-CD1 3.49Å; P2614-L2691 HydrophobicContact CG-CD1 3.61Å; V2635-L2691 HydrophobicContact CB-CD1 4.44Å; V2635-L2691 HydrophobicContact CG1-CD1 3.76Å; V2635-L2691 HydrophobicContact CG1-CD2 4.07Å; S2651-L2691 CarbonylContact O-C 3.46Å; F2652-L2691 HydrophobicContact CD1-CD2 3.89Å; F2652-L2691 HydrophobicContact CE1-CD2 3.53Å; F2652-L2691 HydrophobicContact CZ-CD2 4.42Å; I2666-L2691 HydrophobicContact CD1-CD2 3.98Å; I2673-L2691 HydrophobicContact CD1-CD2 3.86Å; L2691-M2705 CarbonylContact O-C 3.51Å; L2691-M2705 VanDerWaalsContact O-CA 3.24Å; L2691-M2705 WeakPolarHBondContact O-CA 3.33Å; L2691-Q2706 HydrophobicContact CB-CB 4.4Å; L2691-Q2706 VanDerWaalsContact CB-O 3.32Å; L2691-Q2706 WeakPolarHBondContact CB-O 3.32Å; L2691-Q2706 WeakPolarHBondContact CG-O 3.15Å; L2691-Q2706 PolarHBondContact N-O 3Å; L2691-Q2706 PolarHBondContact O-N 3.05Å; L2691-L2708 HydrophobicContact CD1-CB 4.32Å; L2691-L2708 HydrophobicContact CD1-CD2 4.34Å; L2691-L2708 HydrophobicContact CD2-CD2 4.49Å; L2691-L2708 HydrophobicContact CG-CB 4.44Å
2692V91.1Very high83.3Confident5 Ų552.7 Ų52.73%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-126.9134.1173.8-173.10000109.1F2611 Y2650 S2651 L2653 E2703 T2704 M2705F2611-V2692 WeakPolarHBondContact CZ-O 3.35Å; Y2650-V2692 CarbonylContact C-O 3.55Å; Y2650-V2692 VanDerWaalsContact CA-O 3.3Å; Y2650-V2692 WeakPolarHBondContact CA-O 3.11Å; S2651-V2692 PolarHBondContact N-O 3Å; S2651-V2692 PolarHBondContact O-N 2.95Å; S2651-V2692 WeakPolarHBondContact OG-CB 3.03Å; L2653-V2692 HydrophobicContact CB-CG2 3.72Å; L2653-V2692 HydrophobicContact CD1-CG2 4.34Å; L2653-V2692 VanDerWaalsContact N-CG2 3.29Å; V2692-E2703 HydrophobicContact CG1-CB 4.14Å; V2692-E2703 HydrophobicContact CG1-CG 4.05Å; V2692-T2704 CarbonylContact C-O 3.29Å; V2692-T2704 VanDerWaalsContact CA-O 3.23Å; V2692-T2704 WeakPolarHBondContact CA-O 3.26Å; V2692-M2705 HydrophobicContact CB-CE 4.13Å; V2692-M2705 HydrophobicContact CB-SD 3.57Å; V2692-M2705 VanDerWaalsContact CB-SD 3.57Å; V2692-M2705 HydrophobicContact CG1-CE 3.38Å; V2692-M2705 HydrophobicContact CG1-SD 3.47Å; V2692-M2705 WeakPolarHBondContact CG1-SD 3.4Å; V2692-M2705 HydrophobicContact CG2-CE 3.86Å; V2692-M2705 HydrophobicContact CG2-CG 4.3Å; V2692-M2705 HydrophobicContact CG2-SD 3.13Å; V2692-M2705 WeakPolarHBondContact CG2-SD 3.29Å
2693A90.5Very high83.5Confident0 Ų054.6 Ų54.60%030%0.296CS..EExtended strand (participates in β ladder)trans-115.6121.6165.900000108.4P2609 F2611 A2637 V2648 R2649 Y2650 E2703 T2704P2609-A2693 HydrophobicContact CB-CB 4.14Å; F2611-A2693 HydrophobicContact CD1-CB 4.46Å; F2611-A2693 HydrophobicContact CD2-CB 4.25Å; F2611-A2693 HydrophobicContact CE1-CB 4Å; F2611-A2693 HydrophobicContact CE2-CB 3.72Å; F2611-A2693 HydrophobicContact CZ-CB 3.57Å; A2637-A2693 HydrophobicContact CB-CB 3.81Å; V2648-A2693 HydrophobicContact CG1-CB 4.02Å; R2649-A2693 CarbonylContact O-C 3.55Å; R2649-A2693 VanDerWaalsContact O-CA 3.31Å; R2649-A2693 WeakPolarHBondContact O-CA 3.31Å; Y2650-A2693 HydrophobicContact CD1-CB 4.26Å; Y2650-A2693 HydrophobicContact CE1-CB 4.33Å; A2693-E2703 CarbonylContact O-C 3.54Å; A2693-E2703 VanDerWaalsContact O-CA 3.29Å; A2693-E2703 WeakPolarHBondContact O-CA 3.39Å; A2693-T2704 PolarHBondContact N-O 2.87Å; A2693-T2704 PolarHBondContact O-N 3.1Å
2694S89.4Confident83.8Confident24.6667 Ų24.666749 Ų4917%0.17228%0.275CS..EExtended strand (participates in β ladder)trans-119147.3177.573.90000111V2648 R2649 Y2702V2648-S2694 CarbonylContact C-O 3.45Å; V2648-S2694 VanDerWaalsContact CA-O 3.25Å; V2648-S2694 WeakPolarHBondContact CA-O 3.32Å; R2649-S2694 PolarHBondContact N-O 3Å; R2649-S2694 PolarHBondContact O-N 2.93Å; S2694-Y2702 CarbonylContact C-O 3.56Å; S2694-Y2702 VanDerWaalsContact CA-O 3.28Å; S2694-Y2702 WeakPolarHBondContact CA-O 3.37Å
2695D87.6Confident84.1Confident1 Ų150.7 Ų50.71%0.00528%0.284CS..  trans-76.5-174164.766.246.6000111.4N2605 P2609 D2639 N2645 A2647 G2697 P2701 Y2702N2605-D2695 PolarHBondContact ND2-OD2 2.85Å; N2605-D2695 VanDerWaalsContact ND2-OD2 3.13Å; P2609-D2695 HydrophobicContact CG-CB 4.02Å; P2609-D2695 VanDerWaalsContact CG-N 3.32Å; D2639-D2695 WeakPolarHBondContact OD2-CB 3.31Å; N2645-D2695 VanDerWaalsContact O-CB 3.29Å; N2645-D2695 WeakPolarHBondContact O-CB 3.4Å; A2647-D2695 CarbonylContact O-C 3.53Å; A2647-D2695 WeakPolarHBondContact O-CA 3.47Å; D2695-G2697 WeakPolarHBondContact OD1-CA 3.23Å; D2695-G2697 PolarHBondContact OD1-N 3.02Å; D2695-P2701 WeakPolarHBondContact OD1-CA 3.34Å; D2695-P2701 VanDerWaalsContact OD1-CB 3.23Å; D2695-P2701 WeakPolarHBondContact OD1-CB 3.32Å; D2695-Y2702 VanDerWaalsContact CG-N 3.32Å; D2695-Y2702 PolarHBondContact N-O 2.92Å; D2695-Y2702 PolarHBondContact OD1-N 2.76Å; D2695-Y2702 WeakPolarHBondContact OD2-CA 3.27Å; D2695-Y2702 WeakPolarHBondContact OD2-CB 3.31Å; D2695-Y2702 PolarHBondContact OD2-N 3.24Å
2696L81.4Confident84.4Confident64.3333 Ų64.333350 Ų5034%0.33727%0.273SS..  trans-117.525173.1-70.6174.3000112.2L2644 A2647 R2649L2644-L2696 HydrophobicContact CB-CB 4.28Å; L2644-L2696 HydrophobicContact CD2-CB 4.42Å; L2644-L2696 HydrophobicContact CD2-CD1 4.36Å; L2644-L2696 CarbonylContact O-C 3.58Å; L2644-L2696 VanDerWaalsContact O-C 3.28Å; L2644-L2696 WeakPolarHBondContact O-CA 3.34Å; L2644-L2696 VanDerWaalsContact O-CB 3.29Å; L2644-L2696 WeakPolarHBondContact O-CB 3.41Å; L2644-L2696 PolarHBondContact O-N 2.79Å; A2647-L2696 HydrophobicContact CB-CB 4.3Å; A2647-L2696 HydrophobicContact CB-CD1 4.05Å; A2647-L2696 HydrophobicContact CB-CG 4.48Å; A2647-L2696 VanDerWaalsContact O-CG 3.29Å; A2647-L2696 WeakPolarHBondContact O-CG 3.11Å; A2647-L2696 PolarHBondContact O-N 3.01Å; A2647-L2696 VanDerWaalsContact O-N 3.09Å; R2649-L2696 HydrophobicContact CG-CD1 4.14Å; R2649-L2696 HydrophobicContact CG-CD2 3.94Å; R2649-L2696 HydrophobicContact CG-CG 3.99Å
2697G70.6Confident84.4Confident4 Ų449.8 Ų49.84%0.04127%0.274CS..  trans-67.3149.9-178.500000114.1N2605 N2645 D2695 V2700N2605-G2697 VanDerWaalsContact CG-CA 3.44Å; N2605-G2697 WeakPolarHBondContact OD1-CA 3.46Å; N2645-G2697 WeakPolarHBondContact OD1-CA 3.35Å; D2695-G2697 WeakPolarHBondContact OD1-CA 3.23Å; D2695-G2697 PolarHBondContact OD1-N 3.02Å; G2697-V2700 CarbonylContact O-C 3.54Å
2698Q63.6Low84.5Confident158.333 Ų158.33349.9 Ų49.974%0.7427%0.274SS*.SBendtrans-122.2143.1173.8-68.2-170.5-100110.2
2699P66.2Low84.6Confident128.333 Ų128.33351.8 Ų51.883%0.83328%0.279SS*.SBendcis-84.9-13.18.132.8-35.2000115.1
2700V73.3Confident84.6Confident93 Ų9351.7 Ų51.756%0.56428%0.279SS*.  trans-129.1119.6-179.3-172.40000109.1N2605 G2697N2605-V2700 PolarHBondContact ND2-O 3.15Å; G2697-V2700 CarbonylContact O-C 3.54Å
2701P80.7Confident84.5Confident61.6667 Ų61.666749.8 Ų49.840%0.427%0.271SS..  trans-78.4146.5172.431.9-33.9000111D2695D2695-P2701 WeakPolarHBondContact OD1-CA 3.34Å; D2695-P2701 VanDerWaalsContact OD1-CB 3.23Å; D2695-P2701 WeakPolarHBondContact OD1-CB 3.32Å
2702Y83.9Confident84.4Confident80.6667 Ų80.666750.7 Ų50.732%0.31628%0.275SS..  trans-95.4143.8174.4-62.6-67000112.4N2605 N2607 R2608 P2609 S2694 D2695N2605-Y2702 HydrophobicContact CB-CE2 4.33Å; N2605-Y2702 VanDerWaalsContact ND2-CD2 3.29Å; N2605-Y2702 WeakPolarHBondContact ND2-CD2 3.43Å; N2605-Y2702 WeakPolarHBondContact ND2-CE2 3.36Å; N2605-Y2702 WeakPolarHBondContact O-CE2 3.35Å; N2605-Y2702 PolarHBondContact O-OH 2.96Å; N2607-Y2702 VanDerWaalsContact O-CD2 3.23Å; N2607-Y2702 WeakPolarHBondContact O-CD2 3.2Å; N2607-Y2702 VanDerWaalsContact O-CE2 3.28Å; N2607-Y2702 WeakPolarHBondContact O-CE2 3.22Å; R2608-Y2702 VanDerWaalsContact CB-CB 3.48Å; R2608-Y2702 HydrophobicContact CB-CD2 4.18Å; R2608-Y2702 HydrophobicContact CB-CG 3.9Å; R2608-Y2702 HydrophobicContact CG-CD1 4.46Å; R2608-Y2702 HydrophobicContact CG-CD2 3.99Å; R2608-Y2702 HydrophobicContact CG-CG 3.82Å; R2608-Y2702 VanDerWaalsContact NH2-CD1 3.34Å; P2609-Y2702 WeakPolarHBondContact CD-O 3.2Å; S2694-Y2702 CarbonylContact C-O 3.56Å; S2694-Y2702 VanDerWaalsContact CA-O 3.28Å; S2694-Y2702 WeakPolarHBondContact CA-O 3.37Å; D2695-Y2702 VanDerWaalsContact CG-N 3.32Å; D2695-Y2702 PolarHBondContact N-O 2.92Å; D2695-Y2702 PolarHBondContact OD1-N 2.76Å; D2695-Y2702 WeakPolarHBondContact OD2-CA 3.27Å; D2695-Y2702 WeakPolarHBondContact OD2-CB 3.31Å; D2695-Y2702 PolarHBondContact OD2-N 3.24Å
2703E88.7Confident84.1Confident101.333 Ų101.33355 Ų5547%0.47430%0.295SS..EExtended strand (participates in β ladder)trans-124150.9-178.3-27.2-179.5-179.900113.2R2608 V2692 A2693 M2705R2608-E2703 PolarHBondContact NH1-O 2.83Å; V2692-E2703 HydrophobicContact CG1-CB 4.14Å; V2692-E2703 HydrophobicContact CG1-CG 4.05Å; A2693-E2703 CarbonylContact O-C 3.54Å; A2693-E2703 VanDerWaalsContact O-CA 3.29Å; A2693-E2703 WeakPolarHBondContact O-CA 3.39Å; E2703-M2705 HydrophobicContact CB-CE 4.07Å; E2703-M2705 VanDerWaalsContact OE2-CE 3.32Å; E2703-M2705 WeakPolarHBondContact OE2-CE 3.27Å
2704T89.3Confident83.7Confident40 Ų4057.2 Ų57.225%0.24531%0.307CS..EExtended strand (participates in β ladder)trans-133.9145.7169.4-380000111.2P2609 F2611 V2692 A2693P2609-T2704 WeakPolarHBondContact O-CB 3.27Å; P2609-T2704 WeakPolarHBondContact O-CG2 3.39Å; P2609-T2704 PolarHBondContact O-OG1 2.94Å; F2611-T2704 HydrophobicContact CD2-CG2 4.17Å; F2611-T2704 WeakPolarHBondContact CE2-O 3.28Å; V2692-T2704 CarbonylContact C-O 3.29Å; V2692-T2704 VanDerWaalsContact CA-O 3.23Å; V2692-T2704 WeakPolarHBondContact CA-O 3.26Å; A2693-T2704 PolarHBondContact N-O 2.87Å; A2693-T2704 PolarHBondContact O-N 3.1Å
2705M90.1Very high83.4Confident89.6667 Ų89.666758.9 Ų58.944%0.44231%0.313SS..EExtended strand (participates in β ladder)trans-123.5147.2-170.9-58.4-149.8-163.800114.2L2653 I2690 L2691 V2692 E2703L2653-M2705 HydrophobicContact CB-SD 4.16Å; L2653-M2705 HydrophobicContact CD1-CE 3.94Å; L2653-M2705 HydrophobicContact CD1-SD 3.88Å; L2653-M2705 HydrophobicContact CD2-CE 4.38Å; L2653-M2705 HydrophobicContact CD2-CG 4.49Å; L2653-M2705 HydrophobicContact CD2-SD 4.05Å; L2653-M2705 HydrophobicContact CG-SD 4.33Å; I2690-M2705 HydrophobicContact CG2-CB 4.38Å; L2691-M2705 CarbonylContact O-C 3.51Å; L2691-M2705 VanDerWaalsContact O-CA 3.24Å; L2691-M2705 WeakPolarHBondContact O-CA 3.33Å; V2692-M2705 HydrophobicContact CB-CE 4.13Å; V2692-M2705 HydrophobicContact CB-SD 3.57Å; V2692-M2705 VanDerWaalsContact CB-SD 3.57Å; V2692-M2705 HydrophobicContact CG1-CE 3.38Å; V2692-M2705 HydrophobicContact CG1-SD 3.47Å; V2692-M2705 WeakPolarHBondContact CG1-SD 3.4Å; V2692-M2705 HydrophobicContact CG2-CE 3.86Å; V2692-M2705 HydrophobicContact CG2-CG 4.3Å; V2692-M2705 HydrophobicContact CG2-SD 3.13Å; V2692-M2705 WeakPolarHBondContact CG2-SD 3.29Å; E2703-M2705 HydrophobicContact CB-CE 4.07Å; E2703-M2705 VanDerWaalsContact OE2-CE 3.32Å; E2703-M2705 WeakPolarHBondContact OE2-CE 3.27Å
2706Q88.6Confident82.9Confident27.6667 Ų27.666763.5 Ų63.513%0.12934%0.338CS..EExtended strand (participates in β ladder)trans-151.1120.2-179.418055.370.600113.9F2611 P2614 N2616 I2690 L2691F2611-Q2706 HydrophobicContact CD2-CB 3.85Å; F2611-Q2706 HydrophobicContact CE2-CB 4.05Å; F2611-Q2706 HydrophobicContact CG-CB 4.4Å; P2614-Q2706 HydrophobicContact CG-CG 4.45Å; N2616-Q2706 VanDerWaalsContact CA-NE2 3.26Å; N2616-Q2706 PolarHBondContact OD1-NE2 3.11Å; I2690-Q2706 CarbonylContact C-O 3.5Å; L2691-Q2706 HydrophobicContact CB-CB 4.4Å; L2691-Q2706 VanDerWaalsContact CB-O 3.32Å; L2691-Q2706 WeakPolarHBondContact CB-O 3.32Å; L2691-Q2706 WeakPolarHBondContact CG-O 3.15Å; L2691-Q2706 PolarHBondContact N-O 3Å; L2691-Q2706 PolarHBondContact O-N 3.05Å
2707P89.9Confident82.8Confident68 Ų6864 Ų6444%0.44234%0.341SS..EExtended strand (participates in β ladder)trans-73.6151.5176.128.1-37.2000115.6L2689 I2690L2689-P2707 CarbonylContact O-C 3.49Å; L2689-P2707 VanDerWaalsContact O-CA 3.25Å; L2689-P2707 WeakPolarHBondContact O-CA 3.24Å; I2690-P2707 HydrophobicContact CG1-CB 4.39Å
2708L89.7Confident83.2Confident3.66667 Ų3.6666766.5 Ų66.52%0.01935%0.353CS..EExtended strand (participates in β ladder)trans-148.5137.3179.7175.565.5000110.7P2614 T2618 L2620 I2673 S2688 L2689 L2691P2614-L2708 HydrophobicContact CB-CD1 4.43Å; P2614-L2708 HydrophobicContact CG-CD1 4.28Å; T2618-L2708 HydrophobicContact CG2-CD1 3.9Å; L2620-L2708 HydrophobicContact CD1-CD1 4.14Å; L2620-L2708 HydrophobicContact CD1-CD2 4.26Å; L2620-L2708 HydrophobicContact CD1-CG 4.46Å; L2620-L2708 HydrophobicContact CG-CD1 4.11Å; I2673-L2708 HydrophobicContact CD1-CD2 3.81Å; S2688-L2708 CarbonylContact C-O 3.6Å; L2689-L2708 WeakPolarHBondContact CA-O 3.23Å; L2689-L2708 HydrophobicContact CB-CB 4.37Å; L2689-L2708 HydrophobicContact CD1-CD2 4.17Å; L2689-L2708 PolarHBondContact N-O 3.11Å; L2689-L2708 PolarHBondContact O-N 3.12Å; L2689-L2708 VanDerWaalsContact O-O 3.06Å; L2691-L2708 HydrophobicContact CD1-CB 4.32Å; L2691-L2708 HydrophobicContact CD1-CD2 4.34Å; L2691-L2708 HydrophobicContact CD2-CD2 4.49Å; L2691-L2708 HydrophobicContact CG-CB 4.44Å
2709Q90.9Very high83.9Confident80 Ų8063.2 Ų63.237%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-116.5151.7175.7-66.1-171.3-50.300113.5T2618 I2619 L2620 Y2687 S2688T2618-Q2709 PolarHBondContact O-N 3.25Å; T2618-Q2709 VanDerWaalsContact O-N 3.16Å; I2619-Q2709 CarbonylContact C-O 3.54Å; I2619-Q2709 WeakPolarHBondContact CA-O 3.24Å; I2619-Q2709 HydrophobicContact CB-CB 4.45Å; I2619-Q2709 HydrophobicContact CG1-CB 4.24Å; I2619-Q2709 HydrophobicContact CG2-CB 4.22Å; L2620-Q2709 PolarHBondContact N-O 2.78Å; Y2687-Q2709 CarbonylContact O-C 3.37Å; Y2687-Q2709 WeakPolarHBondContact O-CA 3.35Å; S2688-Q2709 PolarHBondContact OG-NE2 3.04Å
2710V90.2Very high84.8Confident0.666667 Ų0.66666757.1 Ų57.10%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-134128.4179-172.40000109.8L2620 I2622 F2664 V2686 Y2687 L2689L2620-V2710 HydrophobicContact CB-CG1 4.48Å; L2620-V2710 HydrophobicContact CB-CG2 4.43Å; L2620-V2710 HydrophobicContact CD1-CG2 4.41Å; L2620-V2710 CarbonylContact O-C 3.58Å; L2620-V2710 WeakPolarHBondContact O-CA 3.3Å; I2622-V2710 HydrophobicContact CD1-CG1 3.45Å; I2622-V2710 VanDerWaalsContact CD1-CG1 3.45Å; I2622-V2710 HydrophobicContact CG1-CG1 3.73Å; F2664-V2710 HydrophobicContact CE1-CG1 4.4Å; F2664-V2710 HydrophobicContact CE1-CG2 4.41Å; F2664-V2710 HydrophobicContact CE2-CG2 4.46Å; F2664-V2710 HydrophobicContact CZ-CB 4.16Å; F2664-V2710 HydrophobicContact CZ-CG1 4.04Å; F2664-V2710 HydrophobicContact CZ-CG2 4.13Å; V2686-V2710 CarbonylContact C-O 3.51Å; V2686-V2710 VanDerWaalsContact CA-O 3.29Å; V2686-V2710 WeakPolarHBondContact CA-O 3.31Å; Y2687-V2710 PolarHBondContact N-O 2.95Å; Y2687-V2710 PolarHBondContact O-N 2.75Å; L2689-V2710 HydrophobicContact CD1-CG2 4.13Å
2711A88Confident85.2Confident14 Ų1456.1 Ų56.112%0.11629%0.289CS..EExtended strand (participates in β ladder)trans-122.6143.5179.300000112.3L2620 H2621 I2622 A2685 V2686L2620-A2711 PolarHBondContact O-N 2.8Å; H2621-A2711 WeakPolarHBondContact CA-O 3.34Å; I2622-A2711 PolarHBondContact N-O 3.2Å; I2622-A2711 VanDerWaalsContact N-O 3.11Å; A2685-A2711 CarbonylContact O-C 3.55Å; A2685-A2711 VanDerWaalsContact O-CA 3.25Å; A2685-A2711 WeakPolarHBondContact O-CA 3.34Å; V2686-A2711 HydrophobicContact CG2-CB 4.26Å
2712L89.4Confident85.4Confident18.6667 Ų18.666753.6 Ų53.610%0.09827%0.272CS..EExtended strand (participates in β ladder)trans-94.7147.3-176-58.9-175000114.2I2622 E2624 L2679 R2681 Q2684 A2685 Y2687I2622-L2712 HydrophobicContact CD1-CD2 4.16Å; I2622-L2712 HydrophobicContact CG1-CD2 3.84Å; I2622-L2712 CarbonylContact O-C 3.47Å; I2622-L2712 VanDerWaalsContact O-CA 3.27Å; I2622-L2712 WeakPolarHBondContact O-CA 3.21Å; E2624-L2712 HydrophobicContact CB-CD1 4.37Å; L2679-L2712 HydrophobicContact CB-CD1 4.04Å; L2679-L2712 HydrophobicContact CB-CD2 3.91Å; L2679-L2712 HydrophobicContact CD1-CD2 4.11Å; L2679-L2712 HydrophobicContact CG-CD2 4.45Å; R2681-L2712 HydrophobicContact CB-CB 4.09Å; R2681-L2712 HydrophobicContact CB-CD1 4.19Å; R2681-L2712 HydrophobicContact CG-CB 4.17Å; Q2684-L2712 WeakPolarHBondContact O-CD1 3.43Å; A2685-L2712 PolarHBondContact O-N 2.92Å; Y2687-L2712 HydrophobicContact CE2-CD1 3.9Å; Y2687-L2712 HydrophobicContact CE2-CG 4.17Å
2713E84Confident84.8Confident96.3333 Ų96.333354.5 Ų54.545%0.4529%0.286SS..EExtended strand (participates in β ladder)trans-108130.7170.6-64-176167.500111.2H2621 I2622 K2623 E2624H2621-E2713 HydrophobicContact CB-CG 4.37Å; I2622-E2713 PolarHBondContact O-N 2.77Å; K2623-E2713 WeakPolarHBondContact CE-OE2 3.48Å; K2623-E2713 HydrophobicContact CG-CB 4.27Å; K2623-E2713 WeakPolarHBondContact CG-OE2 3.48Å; K2623-E2713 IonicContact NZ-OE2 3.53Å; E2624-E2713 WeakPolarHBondContact CB-O 3.17Å; E2624-E2713 WeakPolarHBondContact CG-O 3.28Å; E2624-E2713 PolarHBondContact N-O 3.03Å; E2624-E2713 VanDerWaalsContact N-O 3.11Å
2714D82.8Confident83.9Confident45.6667 Ų45.666755.9 Ų55.924%0.24429%0.287CS..PPolyproline II helixtrans-61.4140.7-176.3-173.781.4000116E2624 R2681 E2758 N2761E2624-D2714 VanDerWaalsContact OE1-CA 3.25Å; E2624-D2714 WeakPolarHBondContact OE1-CA 3.39Å; R2681-D2714 IonicContact CZ-OD1 3.36Å; R2681-D2714 IonicContact NE-OD1 3.67Å; R2681-D2714 PolarHBondContact NE-OD1 2.84Å; R2681-D2714 IonicContact NH1-OD1 3.11Å; R2681-D2714 IonicContact NH2-OD1 2.94Å; R2681-D2714 PolarHBondContact NH2-OD1 3.02Å; D2714-E2758 HydrophobicContact CB-CB 4.21Å; D2714-E2758 VanDerWaalsContact CG-N 3.32Å; D2714-E2758 VanDerWaalsContact OD1-CB 3.32Å; D2714-E2758 WeakPolarHBondContact OD1-CB 3.31Å; D2714-E2758 PolarHBondContact OD1-N 2.92Å; D2714-E2758 PolarHBondContact OD2-N 3.16Å; D2714-N2761 PolarHBondContact OD2-ND2 2.81Å
2715I81.8Confident82.7Confident60.3333 Ų60.333355.9 Ų55.931%0.30929%0.288SS..  trans-131.5143.6175.3-59.4179000110.2K2623 E2624 E2625 D2717 D2757K2623-I2715 HydrophobicContact CB-CD1 4.25Å; E2624-I2715 HydrophobicContact CG-CB 4.25Å; E2624-I2715 HydrophobicContact CG-CD1 3.89Å; E2624-I2715 HydrophobicContact CG-CG1 3.97Å; E2624-I2715 WeakPolarHBondContact O-CD1 3.32Å; E2624-I2715 PolarHBondContact OE1-N 3.1Å; E2625-I2715 HydrophobicContact CB-CD1 4.12Å; I2715-D2717 VanDerWaalsContact C-N 3.25Å; I2715-D2717 HydrophobicContact CB-CB 4.46Å; I2715-D2717 HydrophobicContact CG2-CB 4.28Å; I2715-D2717 PolarHBondContact O-N 3.26Å; I2715-D2717 VanDerWaalsContact O-N 3.14Å; I2715-D2757 VanDerWaalsContact O-OD2 3.1Å
2716D78Confident81.6Confident96.6667 Ų96.666756.5 Ų56.552%0.51730%0.298SS..SBendtrans-70.283171.9-178.631.4000110D2757 N2761 S2807D2716-D2757 VanDerWaalsContact CA-OD2 3.31Å; D2716-D2757 WeakPolarHBondContact CA-OD2 3.24Å; D2716-N2761 HydrophobicContact CB-CB 4.3Å; D2716-N2761 VanDerWaalsContact CB-ND2 3.28Å; D2716-N2761 WeakPolarHBondContact CB-ND2 3.18Å; D2716-N2761 VanDerWaalsContact CG-ND2 3.26Å; D2716-N2761 PolarHBondContact N-ND2 2.98Å; D2716-N2761 WeakPolarHBondContact OD1-CB 3.22Å; D2716-N2761 PolarHBondContact OD1-ND2 3.1Å; D2716-N2761 VanDerWaalsContact OD1-ND2 3.16Å; D2716-S2807 WeakPolarHBondContact OD1-CB 3.38Å; D2716-S2807 PolarHBondContact OD1-OG 2.76Å
2717D79.9Confident79.8Confident75 Ų7565.8 Ų65.840%0.40134%0.338SS..  trans-128.8-9.6-171107.1-32.7000114.5I2715 D2757I2715-D2717 VanDerWaalsContact C-N 3.25Å; I2715-D2717 HydrophobicContact CB-CB 4.46Å; I2715-D2717 HydrophobicContact CG2-CB 4.28Å; I2715-D2717 PolarHBondContact O-N 3.26Å; I2715-D2717 VanDerWaalsContact O-N 3.14Å; D2717-D2757 PolarHBondContact N-OD2 2.9Å
2718N77.7Confident78.4Confident56 Ų5666.6 Ų66.630%0.29936%0.359SS..SBendtrans-104.2143.6171.7-60.6-82.9000111.6A2756 D2757N2718-A2756 HydrophobicContact CB-CB 4Å; N2718-D2757 WeakPolarHBondContact CA-OD2 3.44Å; N2718-D2757 VanDerWaalsContact CB-OD1 3.29Å; N2718-D2757 WeakPolarHBondContact CB-OD1 3.38Å; N2718-D2757 PolarHBondContact N-OD1 3.04Å; N2718-D2757 PolarHBondContact N-OD2 3.15Å; N2718-D2757 PolarHBondContact ND2-OD1 2.96Å; N2718-D2757 VanDerWaalsContact O-OD2 3.1Å
2719E78.7Confident76.8Confident89.6667 Ų89.666768.6 Ų68.642%0.41937%0.373SS..PPolyproline II helixtrans-99.9147169.7-46.5-151.9-167.200110L2721 K2804 T2828E2719-L2721 HydrophobicContact CG-CD2 3.9Å; E2719-L2721 VanDerWaalsContact O-CD2 3.23Å; E2719-L2721 WeakPolarHBondContact O-CD2 3.31Å; E2719-L2721 WeakPolarHBondContact O-CG 3.14Å; E2719-L2721 PolarHBondContact O-N 3.07Å; E2719-K2804 IonicContact OE2-NZ 2.83Å; E2719-K2804 PolarHBondContact OE2-NZ 2.92Å; E2719-T2828 HydrophobicContact CB-CG2 3.96Å; E2719-T2828 HydrophobicContact CG-CG2 3.46Å; E2719-T2828 VanDerWaalsContact CG-CG2 3.46Å; E2719-T2828 WeakPolarHBondContact OE1-CG2 3.22Å; E2719-T2828 WeakPolarHBondContact OE2-CG2 3.34Å
2720P84.7Confident75.6Confident0 Ų068.1 Ų68.10%038%0.377CS..PPolyproline II helixtrans-64.2128.5-178.37.6-12.5000113.4A2753 V2754 D2755 V2764 A2805 T2828P2720-A2753 HydrophobicContact CB-CB 4.17Å; P2720-V2754 CarbonylContact C-O 3.51Å; P2720-V2754 WeakPolarHBondContact CA-O 3.24Å; P2720-D2755 HydrophobicContact CB-CB 4.19Å; P2720-D2755 WeakPolarHBondContact CB-OD2 3.26Å; P2720-D2755 WeakPolarHBondContact CD-OD2 3.33Å; P2720-D2755 HydrophobicContact CG-CB 4.14Å; P2720-D2755 VanDerWaalsContact CG-OD2 3.28Å; P2720-D2755 WeakPolarHBondContact CG-OD2 3.28Å; P2720-V2764 HydrophobicContact CB-CB 4.34Å; P2720-V2764 HydrophobicContact CB-CG1 3.91Å; P2720-V2764 HydrophobicContact CB-CG2 3.71Å; P2720-V2764 HydrophobicContact CG-CB 4.21Å; P2720-V2764 HydrophobicContact CG-CG1 4.1Å; P2720-V2764 HydrophobicContact CG-CG2 4.17Å; P2720-A2805 HydrophobicContact CB-CB 4.25Å; P2720-A2805 HydrophobicContact CG-CB 4.02Å; P2720-T2828 WeakPolarHBondContact O-CG2 3.49Å
2721L82.6Confident74.7Confident72.3333 Ų72.333373.4 Ų73.438%0.37940%0.402SS..EExtended strand (participates in β ladder)trans-110.7136-171.8-50.4178.4000111.5E2719 V2723 A2753 V2754 L2827 T2828E2719-L2721 HydrophobicContact CG-CD2 3.9Å; E2719-L2721 VanDerWaalsContact O-CD2 3.23Å; E2719-L2721 WeakPolarHBondContact O-CD2 3.31Å; E2719-L2721 WeakPolarHBondContact O-CG 3.14Å; E2719-L2721 PolarHBondContact O-N 3.07Å; L2721-V2723 PolarHBondContact O-N 3.09Å; L2721-A2753 CarbonylContact O-C 3.54Å; L2721-A2753 VanDerWaalsContact O-CA 3.27Å; L2721-A2753 WeakPolarHBondContact O-CA 3.19Å; L2721-A2753 WeakPolarHBondContact O-CB 3.23Å; L2721-V2754 PolarHBondContact N-O 3.03Å; L2721-V2754 PolarHBondContact O-N 3.14Å; L2721-L2827 CarbonylContact C-O 3.58Å; L2721-L2827 WeakPolarHBondContact CA-O 3.46Å; L2721-L2827 HydrophobicContact CB-CB 4.16Å; L2721-L2827 HydrophobicContact CD1-CB 4.36Å; L2721-L2827 HydrophobicContact CD1-CD1 3.97Å; L2721-L2827 HydrophobicContact CD2-CB 3.84Å; L2721-L2827 HydrophobicContact CG-CB 4.18Å; L2721-T2828 HydrophobicContact CD2-CG2 3.98Å
2722F84.5Confident74.3Confident8.33333 Ų8.3333376.2 Ų76.24%0.03741%0.41CS..EExtended strand (participates in β ladder)trans-72.1128.9170-72.9-81.8000111.2R2724 V2750 T2751 G2752 A2753 Y2766 V2803 A2805 L2827 T2828 Q2830F2722-R2724 PolarHBondContact O-N 2.96Å; F2722-R2724 VanDerWaalsContact O-N 3.16Å; F2722-V2750 HydrophobicContact CE1-CG1 4.06Å; F2722-V2750 HydrophobicContact CZ-CG1 4.24Å; F2722-T2751 WeakPolarHBondContact CD1-O 3.28Å; F2722-T2751 VanDerWaalsContact CE1-O 3.24Å; F2722-T2751 WeakPolarHBondContact CE1-O 3.47Å; F2722-G2752 WeakPolarHBondContact CA-O 3.24Å; F2722-A2753 HydrophobicContact CD1-CB 3.81Å; F2722-A2753 HydrophobicContact CD2-CB 4.38Å; F2722-A2753 HydrophobicContact CE1-CB 3.93Å; F2722-A2753 HydrophobicContact CE2-CB 4.3Å; F2722-A2753 HydrophobicContact CG-CB 4.06Å; F2722-A2753 HydrophobicContact CZ-CB 4.3Å; F2722-Y2766 HydrophobicContact CE1-CD1 4.21Å; F2722-Y2766 AromaticContact CE1-CE1 3.71Å; F2722-Y2766 HydrophobicContact CE1-CE1 3.71Å; F2722-Y2766 HydrophobicContact CE2-CE1 4.42Å; F2722-Y2766 AromaticContact CZ-CD1 3.82Å; F2722-Y2766 HydrophobicContact CZ-CD1 3.82Å; F2722-Y2766 AromaticContact CZ-CE1 3.55Å; F2722-Y2766 HydrophobicContact CZ-CE1 3.74Å; F2722-V2803 HydrophobicContact CZ-CG1 4.42Å; F2722-A2805 HydrophobicContact CD2-CB 4.11Å; F2722-A2805 HydrophobicContact CE2-CB 3.57Å; F2722-A2805 VanDerWaalsContact CE2-CB 3.48Å; F2722-A2805 HydrophobicContact CZ-CB 4.02Å; F2722-L2827 PolarHBondContact N-O 2.83Å; F2722-T2828 WeakPolarHBondContact CD2-O 3.19Å; F2722-T2828 WeakPolarHBondContact CE2-O 3.21Å; F2722-Q2830 HydrophobicContact CB-CB 4.35Å; F2722-Q2830 HydrophobicContact CD1-CB 3.85Å; F2722-Q2830 HydrophobicContact CD1-CG 4.11Å; F2722-Q2830 HydrophobicContact CD2-CB 3.52Å; F2722-Q2830 VanDerWaalsContact CD2-CB 3.46Å; F2722-Q2830 HydrophobicContact CE1-CB 3.87Å; F2722-Q2830 HydrophobicContact CE1-CG 4.22Å; F2722-Q2830 HydrophobicContact CE2-CB 3.53Å; F2722-Q2830 HydrophobicContact CG-CB 3.66Å; F2722-Q2830 HydrophobicContact CG-CG 4.29Å; F2722-Q2830 HydrophobicContact CZ-CB 3.7Å; F2722-Q2830 HydrophobicContact CZ-CG 4.37Å
2723V72.1Confident74.1Confident101.333 Ų101.33377.2 Ų77.261%0.61441%0.414SS*.  trans-69.3113.8177.7-1780000109.1L2721 G2752 V2754L2721-V2723 PolarHBondContact O-N 3.09Å; V2723-G2752 PolarHBondContact N-O 3.02Å; V2723-V2754 HydrophobicContact CG2-CB 4.02Å; V2723-V2754 HydrophobicContact CG2-CG2 3.87Å; V2723-V2754 VanDerWaalsContact CG2-CG2 3.47Å
2724R68.2Low74.2Confident129.333 Ų129.33376.9 Ų76.949%0.48842%0.415SS..PPolyproline II helixtrans-58.4133-179.3-67.8-165.6-169-147.60.5111.2F2722 L2824 L2827F2722-R2724 PolarHBondContact O-N 2.96Å; F2722-R2724 VanDerWaalsContact O-N 3.16Å; R2724-L2824 PolarHBondContact NH2-O 3.01Å; R2724-L2827 HydrophobicContact CG-CD2 4.04Å; R2724-L2827 VanDerWaalsContact NH2-CD2 3.25Å
2725P65.7Low74.4Confident41.3333 Ų41.333375.9 Ų75.927%0.26841%0.409SS..PPolyproline II helixtrans-58.5147.7171.9-11.316.4000111.6S2729 P2730 Q2731P2725-S2729 WeakPolarHBondContact CB-OG 3.21Å; P2725-P2730 WeakPolarHBondContact CG-O 3.4Å; P2725-Q2731 PolarHBondContact O-NE2 3.18Å
2726P65.4Low74.8Confident101.333 Ų101.33376.3 Ų76.366%0.65842%0.415SS*.PPolyproline II helixtrans-54.1152.4177.84.1-9.4000112.9G2728 S2729P2726-G2728 PolarHBondContact O-N 3.14Å; P2726-S2729 VanDerWaalsContact CD-OG 3.25Å; P2726-S2729 WeakPolarHBondContact CD-OG 3.25Å; P2726-S2729 WeakPolarHBondContact CG-OG 3.4Å; P2726-S2729 PolarHBondContact O-N 3.14Å; P2726-S2729 VanDerWaalsContact O-N 3.11Å; P2726-S2729 PolarHBondContact O-OG 3.06Å
2727K52.4Low75.4Confident222.333 Ų222.33371.9 Ų71.997%0.96739%0.391SS*.THydrogen-bonded Turntrans-56.7113.1177-79.6-173.7175.2-178.70110.2
2728G60.2Low75.7Confident86 Ų8670.9 Ų70.989%0.88739%0.389SS*.THydrogen-bonded Turntrans119.1-20.7-178.700000114.4P2726P2726-G2728 PolarHBondContact O-N 3.14Å
2729S56.3Low76.3Confident44.3333 Ų44.333368.4 Ų68.431%0.3138%0.376SS..SBendtrans-84.2151.7169.330.90000112P2725 P2726 Q2731P2725-S2729 WeakPolarHBondContact CB-OG 3.21Å; P2726-S2729 VanDerWaalsContact CD-OG 3.25Å; P2726-S2729 WeakPolarHBondContact CD-OG 3.25Å; P2726-S2729 WeakPolarHBondContact CG-OG 3.4Å; P2726-S2729 PolarHBondContact O-N 3.14Å; P2726-S2729 VanDerWaalsContact O-N 3.11Å; P2726-S2729 PolarHBondContact O-OG 3.06Å; S2729-Q2731 PolarHBondContact O-N 3.38Å; S2729-Q2731 PolarHBondContact O-NE2 2.8Å
2730P64.8Low76.6Confident69.6667 Ų69.666767.8 Ų67.845%0.45237%0.373SS..  trans-55.6140174.923.2-33.5000110.9P2725 Y2732P2725-P2730 WeakPolarHBondContact CG-O 3.4Å; P2730-Y2732 VanDerWaalsContact C-N 3.26Å; P2730-Y2732 HydrophobicContact CB-CD1 4.09Å; P2730-Y2732 HydrophobicContact CB-CD2 4.24Å; P2730-Y2732 HydrophobicContact CB-CE1 3.69Å; P2730-Y2732 HydrophobicContact CB-CE2 3.86Å; P2730-Y2732 HydrophobicContact CB-CG 4.34Å; P2730-Y2732 VanDerWaalsContact CB-CZ 3.5Å; P2730-Y2732 HydrophobicContact CG-CE2 4.42Å; P2730-Y2732 PolarHBondContact O-N 2.83Å
2731Q71.3Confident76.7Confident112.333 Ų112.33368.5 Ų68.553%0.52538%0.378SS..SBendtrans-80.2-2.2-179.4-62.7-94.7-54.400113.2P2725 S2729 Q2830P2725-Q2731 PolarHBondContact O-NE2 3.18Å; S2729-Q2731 PolarHBondContact O-N 3.38Å; S2729-Q2731 PolarHBondContact O-NE2 2.8Å; Q2731-Q2830 PolarHBondContact O-NE2 3.03Å
2732Y80.8Confident76.9Confident73 Ų7369.6 Ų69.629%0.28639%0.389SS..SBendtrans-107.7152.9174.254-95.2000110.6P2730 L2734 E2831 R2833P2730-Y2732 VanDerWaalsContact C-N 3.26Å; P2730-Y2732 HydrophobicContact CB-CD1 4.09Å; P2730-Y2732 HydrophobicContact CB-CD2 4.24Å; P2730-Y2732 HydrophobicContact CB-CE1 3.69Å; P2730-Y2732 HydrophobicContact CB-CE2 3.86Å; P2730-Y2732 HydrophobicContact CB-CG 4.34Å; P2730-Y2732 VanDerWaalsContact CB-CZ 3.5Å; P2730-Y2732 HydrophobicContact CG-CE2 4.42Å; P2730-Y2732 PolarHBondContact O-N 2.83Å; Y2732-L2734 HydrophobicContact CD2-CB 4.36Å; Y2732-L2734 HydrophobicContact CE2-CB 4.21Å; Y2732-L2734 HydrophobicContact CE2-CD1 4.37Å; Y2732-E2831 CarbonylContact C-O 3.52Å; Y2732-E2831 VanDerWaalsContact CA-O 3.26Å; Y2732-E2831 WeakPolarHBondContact CA-O 3.19Å; Y2732-E2831 WeakPolarHBondContact CB-O 3.39Å; Y2732-R2833 HydrophobicContact CD2-CB 4.12Å; Y2732-R2833 HydrophobicContact CD2-CG 4.01Å; Y2732-R2833 HydrophobicContact CE2-CB 4.4Å; Y2732-R2833 HydrophobicContact CE2-CG 4.48Å; Y2732-R2833 HydrophobicContact CG-CB 4.49Å; Y2732-R2833 HydrophobicContact CG-CG 4.11Å
2733Q83.6Confident77Confident39.3333 Ų39.333378.3 Ų78.318%0.18442%0.422CS..EExtended strand (participates in β ladder)trans-83122.4168-172.4172.724.400109N2749 V2750 T2751 E2831 V2832 R2833Q2733-N2749 PolarHBondContact NE2-O 3.34Å; Q2733-V2750 VanDerWaalsContact OE1-CA 3.29Å; Q2733-T2751 HydrophobicContact CG-CG2 4.43Å; Q2733-T2751 PolarHBondContact NE2-O 3.17Å; Q2733-T2751 PolarHBondContact NE2-OG1 2.7Å; Q2733-T2751 PolarHBondContact OE1-OG1 2.85Å; Q2733-E2831 PolarHBondContact N-O 3.32Å; Q2733-V2832 HydrophobicContact CB-CG2 4.35Å; Q2733-V2832 CarbonylContact O-C 3.53Å; Q2733-V2832 WeakPolarHBondContact O-CA 3.11Å; Q2733-R2833 PolarHBondContact O-N 3.1Å
2734L85.7Confident77.7Confident91.3333 Ų91.333375.9 Ų75.948%0.47842%0.417SS..EExtended strand (participates in β ladder)trans-94.3131.5177.5-177.364.7000110.6Y2732 R2833 V2835Y2732-L2734 HydrophobicContact CD2-CB 4.36Å; Y2732-L2734 HydrophobicContact CE2-CB 4.21Å; Y2732-L2734 HydrophobicContact CE2-CD1 4.37Å; L2734-R2833 WeakPolarHBondContact CA-O 3.45Å; L2734-R2833 HydrophobicContact CD1-CB 4.33Å; L2734-V2835 HydrophobicContact CD1-CB 4.34Å; L2734-V2835 HydrophobicContact CD1-CG2 3.59Å; L2734-V2835 VanDerWaalsContact CD1-CG2 3.48Å
2735L88.5Confident78.7Confident23 Ų2371.7 Ų71.712%0.1241%0.406CS..EExtended strand (participates in β ladder)trans-128.4152169.2-58.7173.9000109V2747 L2785 V2832 R2833 V2834 V2835L2735-V2747 HydrophobicContact CB-CG1 3.79Å; L2735-V2747 HydrophobicContact CD1-CG1 4.14Å; L2735-L2785 HydrophobicContact CD1-CD2 3.79Å; L2735-V2832 HydrophobicContact CD1-CG1 4Å; L2735-V2832 HydrophobicContact CG-CG1 4.38Å; L2735-R2833 PolarHBondContact N-O 3.04Å; L2735-V2834 HydrophobicContact CB-CG2 4.46Å; L2735-V2834 CarbonylContact O-C 3.57Å; L2735-V2834 VanDerWaalsContact O-CA 3.27Å; L2735-V2834 WeakPolarHBondContact O-CA 3.17Å; L2735-V2835 PolarHBondContact O-N 2.78Å
2736T88.9Confident79.9Confident68.6667 Ų68.666774.3 Ų74.342%0.42142%0.417SS..EExtended strand (participates in β ladder)trans-124.6150.7176.863.40000111.2V2835 E2837T2736-V2835 WeakPolarHBondContact CA-O 3.43Å; T2736-V2835 HydrophobicContact CG2-CB 4.46Å; T2736-E2837 WeakPolarHBondContact CB-OE1 3.26Å; T2736-E2837 PolarHBondContact OG1-OE1 3Å
2737V90.6Very high81Confident4.33333 Ų4.3333370.1 Ų70.13%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-152.4138.4173.366.50000109S2741 T2745 V2747 V2787 V2834 V2835 L2836 E2837V2737-S2741 WeakPolarHBondContact CG2-OG 3.42Å; V2737-T2745 HydrophobicContact CG2-CG2 4.16Å; V2737-V2747 HydrophobicContact CB-CB 4.49Å; V2737-V2747 HydrophobicContact CB-CG1 4.26Å; V2737-V2747 HydrophobicContact CB-CG2 4.25Å; V2737-V2747 HydrophobicContact CG1-CG1 4.42Å; V2737-V2747 HydrophobicContact CG1-CG2 4.27Å; V2737-V2747 HydrophobicContact CG2-CG2 4.32Å; V2737-V2787 HydrophobicContact CG2-CG2 4.15Å; V2737-V2834 HydrophobicContact CG1-CG1 3.77Å; V2737-V2835 PolarHBondContact N-O 2.88Å; V2737-V2835 VanDerWaalsContact N-O 3.14Å; V2737-L2836 HydrophobicContact CG1-CD2 3.67Å; V2737-L2836 CarbonylContact O-C 3.58Å; V2737-L2836 VanDerWaalsContact O-CA 3.25Å; V2737-L2836 WeakPolarHBondContact O-CA 3.38Å; V2737-E2837 PolarHBondContact O-N 3.24Å
2738P87.8Confident82.7Confident55.3333 Ų55.333360.1 Ų60.136%0.35935%0.35SS..EExtended strand (participates in β ladder)trans-59.4143.4172.7-23.433.7000111.5S2741 I2839P2738-S2741 VanDerWaalsContact O-CB 3.25Å; P2738-S2741 WeakPolarHBondContact O-CB 3.35Å; P2738-S2741 PolarHBondContact O-N 2.89Å; P2738-S2741 PolarHBondContact O-OG 2.97Å; P2738-I2839 HydrophobicContact CB-CD1 4.15Å
2739E88.4Confident83.9Confident3 Ų359.9 Ų59.91%0.01433%0.329CS..THydrogen-bonded Turntrans-63.6163.6168.972.1-166.2124.600112.2S2741 L2791 R2793 L2836 E2837 D2838 I2839E2739-S2741 PolarHBondContact O-N 2.95Å; E2739-S2741 VanDerWaalsContact O-N 3.08Å; E2739-L2791 WeakPolarHBondContact CB-O 3.05Å; E2739-R2793 HydrophobicContact CB-CB 4.36Å; E2739-R2793 WeakPolarHBondContact OE2-CA 3.28Å; E2739-R2793 WeakPolarHBondContact OE2-CB 3.22Å; E2739-R2793 PolarHBondContact OE2-N 2.92Å; E2739-L2836 HydrophobicContact CB-CB 4.41Å; E2739-L2836 HydrophobicContact CB-CD1 4.27Å; E2739-E2837 PolarHBondContact N-O 3.15Å; E2739-E2837 VanDerWaalsContact N-O 3.14Å; E2739-D2838 VanDerWaalsContact OE1-CA 3.29Å; E2739-D2838 WeakPolarHBondContact OE1-CA 3.47Å; E2739-I2839 HydrophobicContact CG-CB 4.07Å; E2739-I2839 HydrophobicContact CG-CD1 3.78Å; E2739-I2839 HydrophobicContact CG-CG1 3.86Å; E2739-I2839 VanDerWaalsContact O-CD1 3.22Å; E2739-I2839 WeakPolarHBondContact O-CD1 3.08Å; E2739-I2839 PolarHBondContact OE1-N 2.87Å
2740H86.7Confident85.3Confident78 Ų7858 Ų5836%0.36132%0.315SS..THydrogen-bonded Turntrans52.121.5-169.1-57.6-45.9000115.3D2790 L2791 D2792 D2841H2740-D2790 WeakPolarHBondContact CA-OD1 3.41Å; H2740-D2790 IonicContact CG-OD1 3.39Å; H2740-D2790 IonicContact ND1-OD1 3.06Å; H2740-D2790 PolarHBondContact ND1-OD1 3.28Å; H2740-L2791 PolarHBondContact N-O 3.07Å; H2740-D2792 IonicContact CE1-OD1 3.05Å; H2740-D2792 PolarHBondContact CE1-OD1 3.07Å; H2740-D2792 IonicContact NE2-OD1 3.71Å; H2740-D2841 IonicContact NE2-OD2 3.58Å; H2740-D2841 PolarHBondContact NE2-OD2 2.71Å
2741S86.4Confident86Confident14.3333 Ų14.333358.4 Ų58.410%0.132%0.316CS..PPolyproline II helixtrans-60.7131.4177.5-85.90000111.6V2737 P2738 E2739 R2743V2737-S2741 WeakPolarHBondContact CG2-OG 3.42Å; P2738-S2741 VanDerWaalsContact O-CB 3.25Å; P2738-S2741 WeakPolarHBondContact O-CB 3.35Å; P2738-S2741 PolarHBondContact O-N 2.89Å; P2738-S2741 PolarHBondContact O-OG 2.97Å; E2739-S2741 PolarHBondContact O-N 2.95Å; E2739-S2741 VanDerWaalsContact O-N 3.08Å; S2741-R2743 PolarHBondContact O-N 3.08Å
2742P86.3Confident86.3Confident95 Ų9554.9 Ų54.962%0.61731%0.311SS*.PPolyproline II helixtrans-64144.8-175.723.6-32.2000112G2744 T2745P2742-G2744 PolarHBondContact O-N 2.97Å; P2742-T2745 WeakPolarHBondContact CD-OG1 3.36Å; P2742-T2745 WeakPolarHBondContact O-CB 3.37Å; P2742-T2745 PolarHBondContact O-N 3.28Å; P2742-T2745 PolarHBondContact O-OG1 2.97Å
2743R87.8Confident86.4Confident191.333 Ų191.33352 Ų5272%0.72230%0.302SS*.THydrogen-bonded Turntrans-51.3127.8178.8-101.1-179.1171177.41.6112.1S2741 L2788S2741-R2743 PolarHBondContact O-N 3.08Å; R2743-L2788 VanDerWaalsContact CD-O 3.25Å; R2743-L2788 WeakPolarHBondContact CD-O 3.29Å; R2743-L2788 WeakPolarHBondContact CG-O 3.33Å; R2743-L2788 VanDerWaalsContact CZ-O 3.29Å; R2743-L2788 PolarHBondContact NE-O 3.08Å; R2743-L2788 VanDerWaalsContact NH2-CD2 3.33Å; R2743-L2788 PolarHBondContact NH2-O 3.08Å
2744G86.7Confident86.4Confident50 Ų5054.4 Ų54.452%0.51532%0.319SS..THydrogen-bonded Turntrans95.51.3-176.700000114.9P2742 V2787P2742-G2744 PolarHBondContact O-N 2.97Å; G2744-V2787 WeakPolarHBondContact CA-O 3.33Å; G2744-V2787 PolarHBondContact N-O 3Å
2745T89.4Confident86.3Confident42 Ų4251 Ų5126%0.25830%0.301SS..  trans-60.2136170.9-63.10000110.5V2737 P2742 L2786 V2787V2737-T2745 HydrophobicContact CG2-CG2 4.16Å; P2742-T2745 WeakPolarHBondContact CD-OG1 3.36Å; P2742-T2745 WeakPolarHBondContact O-CB 3.37Å; P2742-T2745 PolarHBondContact O-N 3.28Å; P2742-T2745 PolarHBondContact O-OG1 2.97Å; T2745-L2786 CarbonylContact O-C 3.52Å; T2745-L2786 WeakPolarHBondContact O-CA 3.22Å; T2745-V2787 PolarHBondContact O-N 3.09Å
2746L89.7Confident86Confident94.6667 Ų94.666752.5 Ų52.550%0.49632%0.317SS..EExtended strand (participates in β ladder)trans-81.5118176.6179.372.8000109.4G2748 R2784 L2786L2746-G2748 WeakPolarHBondContact CD1-O 3.31Å; L2746-R2784 HydrophobicContact CD1-CB 4.18Å; L2746-R2784 HydrophobicContact CD1-CG 3.89Å; L2746-L2786 HydrophobicContact CB-CD2 4.25Å; L2746-L2786 HydrophobicContact CD1-CD2 3.91Å
2747V88.6Confident85.8Confident13.3333 Ų13.333349.7 Ų49.78%0.08130%0.299CS..EExtended strand (participates in β ladder)trans-81.6-37.5176.2-176.90000110.6L2735 V2737 F2777 L2785 V2787 V2834L2735-V2747 HydrophobicContact CB-CG1 3.79Å; L2735-V2747 HydrophobicContact CD1-CG1 4.14Å; V2737-V2747 HydrophobicContact CB-CB 4.49Å; V2737-V2747 HydrophobicContact CB-CG1 4.26Å; V2737-V2747 HydrophobicContact CB-CG2 4.25Å; V2737-V2747 HydrophobicContact CG1-CG1 4.42Å; V2737-V2747 HydrophobicContact CG1-CG2 4.27Å; V2737-V2747 HydrophobicContact CG2-CG2 4.32Å; V2747-F2777 HydrophobicContact CG2-CD1 4.16Å; V2747-F2777 HydrophobicContact CG2-CE1 4.08Å; V2747-L2785 HydrophobicContact CB-CB 4.4Å; V2747-L2785 HydrophobicContact CB-CD2 3.92Å; V2747-L2785 HydrophobicContact CB-CG 4.29Å; V2747-L2785 HydrophobicContact CG1-CD2 3.9Å; V2747-L2785 HydrophobicContact CG2-CD2 4.44Å; V2747-L2785 PolarHBondContact N-O 2.99Å; V2747-V2787 HydrophobicContact CG2-CG2 3.44Å; V2747-V2787 VanDerWaalsContact CG2-CG2 3.45Å; V2747-V2834 HydrophobicContact CG1-CB 4.47Å; V2747-V2834 HydrophobicContact CG1-CG1 3.79Å; V2747-V2834 HydrophobicContact CG1-CG2 3.93Å
2748G87.6Confident85.2Confident13.6667 Ų13.666755.2 Ų55.214%0.14133%0.325CS..EExtended strand (participates in β ladder)trans161.1-167.9177.300000113.5L2746 L2785L2746-G2748 WeakPolarHBondContact CD1-O 3.31Å; G2748-L2785 PolarHBondContact O-N 3.05Å
2749N86.9Confident84.8Confident82 Ų8255.2 Ų55.244%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-115.5134.8175.3-67.719.6000110.4Q2733 T2751 G2783 R2784Q2733-N2749 PolarHBondContact NE2-O 3.34Å; N2749-T2751 HydrophobicContact CB-CG2 4Å; N2749-T2751 PolarHBondContact O-N 2.85Å; N2749-G2783 CarbonylContact C-O 3.57Å; N2749-G2783 VanDerWaalsContact CA-O 3.29Å; N2749-G2783 WeakPolarHBondContact CA-O 3.3Å; N2749-R2784 WeakPolarHBondContact OD1-CG 3.32Å
2750V84Confident84.2Confident4.66667 Ų4.6666760.1 Ų60.13%0.02837%0.367CS..  trans-73.9132.9168.7-176.10000109.5F2722 Q2733 Y2766 L2779 G2783 V2803 V2832F2722-V2750 HydrophobicContact CE1-CG1 4.06Å; F2722-V2750 HydrophobicContact CZ-CG1 4.24Å; Q2733-V2750 VanDerWaalsContact OE1-CA 3.29Å; V2750-Y2766 HydrophobicContact CB-CD1 4.36Å; V2750-Y2766 HydrophobicContact CG1-CD1 4.04Å; V2750-Y2766 HydrophobicContact CG1-CE1 3.96Å; V2750-L2779 HydrophobicContact CB-CD1 4.39Å; V2750-L2779 HydrophobicContact CG2-CD1 3.69Å; V2750-L2779 HydrophobicContact CG2-CD2 4.32Å; V2750-G2783 PolarHBondContact N-O 2.89Å; V2750-V2803 HydrophobicContact CG1-CB 4.42Å; V2750-V2803 HydrophobicContact CG1-CG1 4.1Å; V2750-V2803 HydrophobicContact CG2-CG2 4.39Å; V2750-V2832 HydrophobicContact CG1-CG2 4.43Å; V2750-V2832 HydrophobicContact CG2-CG2 4.14Å
2751T79.9Confident83.8Confident76.6667 Ų76.666758.4 Ų58.447%0.4736%0.361SS..  trans-120.8149.2-178.750.50000111.3F2722 Q2733 N2749 A2753F2722-T2751 WeakPolarHBondContact CD1-O 3.28Å; F2722-T2751 VanDerWaalsContact CE1-O 3.24Å; F2722-T2751 WeakPolarHBondContact CE1-O 3.47Å; Q2733-T2751 HydrophobicContact CG-CG2 4.43Å; Q2733-T2751 PolarHBondContact NE2-O 3.17Å; Q2733-T2751 PolarHBondContact NE2-OG1 2.7Å; Q2733-T2751 PolarHBondContact OE1-OG1 2.85Å; N2749-T2751 HydrophobicContact CB-CG2 4Å; N2749-T2751 PolarHBondContact O-N 2.85Å; T2751-A2753 PolarHBondContact O-N 3.1Å; T2751-A2753 VanDerWaalsContact O-N 3.17Å
2752G78.5Confident83.5Confident40 Ų4059.5 Ų59.541%0.41237%0.37SS..  trans135.331.8173.600000115F2722 V2723 Y2766F2722-G2752 WeakPolarHBondContact CA-O 3.24Å; V2723-G2752 PolarHBondContact N-O 3.02Å; G2752-Y2766 PolarHBondContact N-OH 3.02Å
2753A83.4Confident83.3Confident12.3333 Ų12.333359 Ų5910%0.10236%0.362CS..EExtended strand (participates in β ladder)trans-80.3144.4169.200000112.2P2720 L2721 F2722 T2751 V2764 Y2766 A2805P2720-A2753 HydrophobicContact CB-CB 4.17Å; L2721-A2753 CarbonylContact O-C 3.54Å; L2721-A2753 VanDerWaalsContact O-CA 3.27Å; L2721-A2753 WeakPolarHBondContact O-CA 3.19Å; L2721-A2753 WeakPolarHBondContact O-CB 3.23Å; F2722-A2753 HydrophobicContact CD1-CB 3.81Å; F2722-A2753 HydrophobicContact CD2-CB 4.38Å; F2722-A2753 HydrophobicContact CE1-CB 3.93Å; F2722-A2753 HydrophobicContact CE2-CB 4.3Å; F2722-A2753 HydrophobicContact CG-CB 4.06Å; F2722-A2753 HydrophobicContact CZ-CB 4.3Å; T2751-A2753 PolarHBondContact O-N 3.1Å; T2751-A2753 VanDerWaalsContact O-N 3.17Å; A2753-V2764 HydrophobicContact CB-CG1 3.93Å; A2753-Y2766 HydrophobicContact CB-CE1 3.92Å; A2753-Y2766 PolarHBondContact N-OH 2.87Å; A2753-A2805 HydrophobicContact CB-CB 3.54Å; A2753-A2805 VanDerWaalsContact CB-CB 3.48Å
2754V82.1Confident83.1Confident88 Ų8851.5 Ų51.553%0.53334%0.337SS..EExtended strand (participates in β ladder)trans-131.2135.9-177.1-176.20000109.3P2720 L2721 V2723P2720-V2754 CarbonylContact C-O 3.51Å; P2720-V2754 WeakPolarHBondContact CA-O 3.24Å; L2721-V2754 PolarHBondContact N-O 3.03Å; L2721-V2754 PolarHBondContact O-N 3.14Å; V2723-V2754 HydrophobicContact CG2-CB 4.02Å; V2723-V2754 HydrophobicContact CG2-CG2 3.87Å; V2723-V2754 VanDerWaalsContact CG2-CG2 3.47Å
2755D84Confident83.1Confident19.6667 Ų19.666751.6 Ų51.611%0.10532%0.322CS..  trans-101.5147.6175.7-152.3-42.2000110.2P2720 D2757 A2762 V2764P2720-D2755 HydrophobicContact CB-CB 4.19Å; P2720-D2755 WeakPolarHBondContact CB-OD2 3.26Å; P2720-D2755 WeakPolarHBondContact CD-OD2 3.33Å; P2720-D2755 HydrophobicContact CG-CB 4.14Å; P2720-D2755 VanDerWaalsContact CG-OD2 3.28Å; P2720-D2755 WeakPolarHBondContact CG-OD2 3.28Å; D2755-D2757 PolarHBondContact OD1-N 3.01Å; D2755-A2762 HydrophobicContact CB-CB 4.06Å; D2755-V2764 HydrophobicContact CB-CG2 4.14Å
2756A81.4Confident83.1Confident55.3333 Ų55.333350.9 Ų50.946%0.45732%0.315SS..  trans-93.5-22.8-175.500000113.1R2681 E2682 N2718R2681-A2756 PolarHBondContact NH2-O 2.9Å; R2681-A2756 VanDerWaalsContact NH2-O 3.13Å; E2682-A2756 HydrophobicContact CG-CB 3.84Å; N2718-A2756 HydrophobicContact CB-CB 4Å
2757D85.4Confident83.1Confident9.33333 Ų9.3333348.1 Ų48.15%0.0530%0.299CS..SBendtrans-71.2175.2-174.7-61.7-10.9000112R2681 I2715 D2716 D2717 N2718 D2755 N2761 A2762R2681-D2757 VanDerWaalsContact NH2-C 3.27Å; I2715-D2757 VanDerWaalsContact O-OD2 3.1Å; D2716-D2757 VanDerWaalsContact CA-OD2 3.31Å; D2716-D2757 WeakPolarHBondContact CA-OD2 3.24Å; D2717-D2757 PolarHBondContact N-OD2 2.9Å; N2718-D2757 WeakPolarHBondContact CA-OD2 3.44Å; N2718-D2757 VanDerWaalsContact CB-OD1 3.29Å; N2718-D2757 WeakPolarHBondContact CB-OD1 3.38Å; N2718-D2757 PolarHBondContact N-OD1 3.04Å; N2718-D2757 PolarHBondContact N-OD2 3.15Å; N2718-D2757 PolarHBondContact ND2-OD1 2.96Å; N2718-D2757 VanDerWaalsContact O-OD2 3.1Å; D2755-D2757 PolarHBondContact OD1-N 3.01Å; D2757-N2761 HydrophobicContact CB-CB 3.68Å; D2757-A2762 WeakPolarHBondContact O-CB 3.35Å
2758E78.4Confident83Confident120 Ų12049.4 Ų49.456%0.56131%0.305SS*.  trans-102.6140.5-178.2-148.1176146.100113.9R2681 D2714 P2760 N2761R2681-E2758 IonicContact CZ-OE2 2.68Å; R2681-E2758 IonicContact NH1-OE2 3.17Å; R2681-E2758 PolarHBondContact NH1-OE2 2.8Å; D2714-E2758 HydrophobicContact CB-CB 4.21Å; D2714-E2758 VanDerWaalsContact CG-N 3.32Å; D2714-E2758 VanDerWaalsContact OD1-CB 3.32Å; D2714-E2758 WeakPolarHBondContact OD1-CB 3.31Å; D2714-E2758 PolarHBondContact OD1-N 2.92Å; D2714-E2758 PolarHBondContact OD2-N 3.16Å; E2758-P2760 VanDerWaalsContact O-CD 3.28Å; E2758-P2760 WeakPolarHBondContact O-CD 3.38Å; E2758-P2760 VanDerWaalsContact O-N 3.12Å; E2758-N2761 PolarHBondContact O-N 2.81Å; E2758-N2761 VanDerWaalsContact O-N 3.1Å
2759G78.1Confident82.8Confident55.3333 Ų55.333349.5 Ų49.557%0.5731%0.305SS*.THydrogen-bonded Turntrans68.3-116.9164.500000114.6N2761 A2762G2759-N2761 PolarHBondContact O-N 3.03Å; G2759-N2761 VanDerWaalsContact O-N 3.14Å; G2759-A2762 PolarHBondContact O-N 2.65Å
2760P76.5Confident82.6Confident106.333 Ų106.33347.3 Ų47.369%0.6930%0.298SS*.THydrogen-bonded Turntrans-74.1-17.5-177.431.8-35.3000114.4E2758 A2762 I2763E2758-P2760 VanDerWaalsContact O-CD 3.28Å; E2758-P2760 WeakPolarHBondContact O-CD 3.38Å; E2758-P2760 VanDerWaalsContact O-N 3.12Å; P2760-A2762 PolarHBondContact O-N 2.98Å; P2760-I2763 WeakPolarHBondContact O-CG1 3.36Å
2761N78.3Confident82.4Confident43 Ų4349.3 Ų49.323%0.2332%0.319CS..THydrogen-bonded Turntrans-75.5-31.2179.6-62.5-5.9000110.5D2714 D2716 D2757 E2758 G2759 I2763D2714-N2761 PolarHBondContact OD2-ND2 2.81Å; D2716-N2761 HydrophobicContact CB-CB 4.3Å; D2716-N2761 VanDerWaalsContact CB-ND2 3.28Å; D2716-N2761 WeakPolarHBondContact CB-ND2 3.18Å; D2716-N2761 VanDerWaalsContact CG-ND2 3.26Å; D2716-N2761 PolarHBondContact N-ND2 2.98Å; D2716-N2761 WeakPolarHBondContact OD1-CB 3.22Å; D2716-N2761 PolarHBondContact OD1-ND2 3.1Å; D2716-N2761 VanDerWaalsContact OD1-ND2 3.16Å; D2757-N2761 HydrophobicContact CB-CB 3.68Å; E2758-N2761 PolarHBondContact O-N 2.81Å; E2758-N2761 VanDerWaalsContact O-N 3.1Å; G2759-N2761 PolarHBondContact O-N 3.03Å; G2759-N2761 VanDerWaalsContact O-N 3.14Å; N2761-I2763 PolarHBondContact O-N 3.18Å
2762A80.3Confident82.6Confident36 Ų3646.8 Ų46.830%0.29830%0.303SS..SBendtrans-76.620.5-177.600000118D2755 D2757 G2759 P2760 V2764D2755-A2762 HydrophobicContact CB-CB 4.06Å; D2757-A2762 WeakPolarHBondContact O-CB 3.35Å; G2759-A2762 PolarHBondContact O-N 2.65Å; P2760-A2762 PolarHBondContact O-N 2.98Å; A2762-V2764 PolarHBondContact O-N 2.89Å
2763I81.7Confident82.6Confident84.6667 Ų84.666753.4 Ų53.443%0.43432%0.323SS..  trans-95.4113.4-176-58.2177.9000111P2760 N2761 Y2765 S2807P2760-I2763 WeakPolarHBondContact O-CG1 3.36Å; N2761-I2763 PolarHBondContact O-N 3.18Å; I2763-Y2765 HydrophobicContact CB-CE2 4.25Å; I2763-Y2765 HydrophobicContact CG2-CE1 4.05Å; I2763-Y2765 HydrophobicContact CG2-CE2 4.02Å; I2763-Y2765 WeakPolarHBondContact CG2-OH 3.29Å; I2763-Y2765 WeakPolarHBondContact O-CD2 3.48Å; I2763-Y2765 WeakPolarHBondContact O-CE2 3.31Å; I2763-Y2765 PolarHBondContact O-N 3.37Å; I2763-S2807 VanDerWaalsContact O-CA 3.29Å; I2763-S2807 WeakPolarHBondContact O-CA 3.1Å
2764V85.1Confident82.5Confident33.6667 Ų33.666757.3 Ų57.320%0.20434%0.342CS..  trans-86.2133.8-178.8-167.30000113.7P2720 A2753 D2755 A2762 Y2766 A2805P2720-V2764 HydrophobicContact CB-CB 4.34Å; P2720-V2764 HydrophobicContact CB-CG1 3.91Å; P2720-V2764 HydrophobicContact CB-CG2 3.71Å; P2720-V2764 HydrophobicContact CG-CB 4.21Å; P2720-V2764 HydrophobicContact CG-CG1 4.1Å; P2720-V2764 HydrophobicContact CG-CG2 4.17Å; A2753-V2764 HydrophobicContact CB-CG1 3.93Å; D2755-V2764 HydrophobicContact CB-CG2 4.14Å; A2762-V2764 PolarHBondContact O-N 2.89Å; V2764-Y2766 HydrophobicContact CG1-CD1 4.34Å; V2764-Y2766 HydrophobicContact CG1-CE1 4.07Å; V2764-Y2766 HydrophobicContact CG1-CE2 4.1Å; V2764-A2805 HydrophobicContact CG1-CB 3.86Å
2765Y86.7Confident82.6Confident52.3333 Ų52.333359.9 Ų59.921%0.20535%0.346CS..EExtended strand (participates in β ladder)trans-122.7143.5169.3-57.1-78.5000111.8I2763 P2781 A2805 S2806 S2807 R2809I2763-Y2765 HydrophobicContact CB-CE2 4.25Å; I2763-Y2765 HydrophobicContact CG2-CE1 4.05Å; I2763-Y2765 HydrophobicContact CG2-CE2 4.02Å; I2763-Y2765 WeakPolarHBondContact CG2-OH 3.29Å; I2763-Y2765 WeakPolarHBondContact O-CD2 3.48Å; I2763-Y2765 WeakPolarHBondContact O-CE2 3.31Å; I2763-Y2765 PolarHBondContact O-N 3.37Å; Y2765-P2781 WeakPolarHBondContact CA-O 3.33Å; Y2765-P2781 HydrophobicContact CD1-CB 4.11Å; Y2765-A2805 CarbonylContact O-C 3.45Å; Y2765-A2805 VanDerWaalsContact O-CA 3.25Å; Y2765-A2805 WeakPolarHBondContact O-CA 3.43Å; Y2765-S2806 WeakPolarHBondContact CB-O 3.23Å; Y2765-S2806 WeakPolarHBondContact CD2-O 3.34Å; Y2765-S2806 PolarHBondContact N-O 3.02Å; Y2765-S2806 PolarHBondContact O-N 2.99Å; Y2765-S2807 VanDerWaalsContact CD2-O 3.28Å; Y2765-S2807 WeakPolarHBondContact CD2-O 3.39Å; Y2765-S2807 VanDerWaalsContact CE2-O 3.3Å; Y2765-S2807 WeakPolarHBondContact CE2-O 3.48Å; Y2765-R2809 HydrophobicContact CD1-CB 4.45Å; Y2765-R2809 HydrophobicContact CD1-CG 4.04Å; Y2765-R2809 HydrophobicContact CD2-CB 3.81Å; Y2765-R2809 HydrophobicContact CD2-CG 4.29Å; Y2765-R2809 HydrophobicContact CE1-CB 4.22Å; Y2765-R2809 HydrophobicContact CE1-CG 3.77Å; Y2765-R2809 HydrophobicContact CE2-CB 3.52Å; Y2765-R2809 VanDerWaalsContact CE2-CB 3.49Å; Y2765-R2809 HydrophobicContact CE2-CG 4.03Å; Y2765-R2809 HydrophobicContact CG-CB 4.26Å; Y2765-R2809 HydrophobicContact CG-CG 4.28Å
2766Y89.5Confident82.8Confident27 Ų2759.7 Ų59.711%0.10635%0.345CS..EExtended strand (participates in β ladder)trans-109137.2-177.6-57-79.6000113.5F2722 V2750 G2752 A2753 V2764 P2781 V2803 K2804 A2805F2722-Y2766 HydrophobicContact CE1-CD1 4.21Å; F2722-Y2766 AromaticContact CE1-CE1 3.71Å; F2722-Y2766 HydrophobicContact CE1-CE1 3.71Å; F2722-Y2766 HydrophobicContact CE2-CE1 4.42Å; F2722-Y2766 AromaticContact CZ-CD1 3.82Å; F2722-Y2766 HydrophobicContact CZ-CD1 3.82Å; F2722-Y2766 AromaticContact CZ-CE1 3.55Å; F2722-Y2766 HydrophobicContact CZ-CE1 3.74Å; V2750-Y2766 HydrophobicContact CB-CD1 4.36Å; V2750-Y2766 HydrophobicContact CG1-CD1 4.04Å; V2750-Y2766 HydrophobicContact CG1-CE1 3.96Å; G2752-Y2766 PolarHBondContact N-OH 3.02Å; A2753-Y2766 HydrophobicContact CB-CE1 3.92Å; A2753-Y2766 PolarHBondContact N-OH 2.87Å; V2764-Y2766 HydrophobicContact CG1-CD1 4.34Å; V2764-Y2766 HydrophobicContact CG1-CE1 4.07Å; V2764-Y2766 HydrophobicContact CG1-CE2 4.1Å; Y2766-P2781 PolarHBondContact N-O 3.17Å; Y2766-V2803 HydrophobicContact CD1-CG1 4.27Å; Y2766-K2804 CarbonylContact C-O 3.56Å; Y2766-K2804 WeakPolarHBondContact CA-O 3.26Å; Y2766-A2805 HydrophobicContact CD1-CB 4.26Å; Y2766-A2805 HydrophobicContact CE1-CB 4.14Å
2767F87.8Confident83.2Confident36.6667 Ų36.666757.4 Ų57.416%0.16133%0.325CS..EExtended strand (participates in β ladder)trans-140.6142.6-178.9-56-87.8000112A2769 V2803 K2804 N2808 R2809 W2811F2767-A2769 PolarHBondContact O-N 2.96Å; F2767-V2803 CarbonylContact O-C 3.42Å; F2767-V2803 VanDerWaalsContact O-CA 3.28Å; F2767-V2803 WeakPolarHBondContact O-CA 3.44Å; F2767-V2803 WeakPolarHBondContact O-CG1 3.32Å; F2767-K2804 PolarHBondContact N-O 3.24Å; F2767-K2804 PolarHBondContact O-N 3.12Å; F2767-N2808 WeakPolarHBondContact CE2-O 3.31Å; F2767-R2809 WeakPolarHBondContact CZ-O 3.24Å; F2767-W2811 HydrophobicContact CB-CE3 3.52Å; F2767-W2811 VanDerWaalsContact CB-CE3 3.49Å; F2767-W2811 HydrophobicContact CB-CZ3 3.7Å; F2767-W2811 HydrophobicContact CD1-CE3 4.38Å; F2767-W2811 HydrophobicContact CD2-CB 3.98Å; F2767-W2811 HydrophobicContact CD2-CD2 4.42Å; F2767-W2811 AromaticContact CD2-CE3 3.93Å; F2767-W2811 HydrophobicContact CD2-CE3 4Å; F2767-W2811 HydrophobicContact CD2-CG 4.37Å; F2767-W2811 HydrophobicContact CE1-CB 4.45Å; F2767-W2811 HydrophobicContact CE2-CB 3.78Å; F2767-W2811 HydrophobicContact CG-CB 4.36Å; F2767-W2811 HydrophobicContact CG-CD2 4.47Å; F2767-W2811 AromaticContact CG-CE3 3.72Å; F2767-W2811 HydrophobicContact CG-CE3 3.72Å; F2767-W2811 HydrophobicContact CG-CZ3 4.39Å; F2767-W2811 HydrophobicContact CZ-CB 4.17Å
2768I87.9Confident83.4Confident40.6667 Ų40.666761.3 Ų61.321%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-72.7121.5168-59.4169.7000108.1D2772 L2779 F2801I2768-D2772 HydrophobicContact CD1-CB 4.29Å; I2768-D2772 HydrophobicContact CG2-CB 4.05Å; I2768-L2779 HydrophobicContact CD1-CB 3.82Å; I2768-L2779 VanDerWaalsContact CD1-CB 3.48Å; I2768-L2779 HydrophobicContact CG1-CB 3.7Å; I2768-L2779 HydrophobicContact CG1-CD2 3.99Å; I2768-L2779 HydrophobicContact CG1-CG 4.34Å; I2768-F2801 HydrophobicContact CG1-CD2 4.31Å; I2768-F2801 HydrophobicContact CG2-CB 4.32Å
2769A83.8Confident84Confident16.3333 Ų16.333356.4 Ų56.414%0.13532%0.32CS..EExtended strand (participates in β ladder)trans-93.9-39.5-177.900000112.6F2767 I2802 K2804 W2811 L2821 L2829F2767-A2769 PolarHBondContact O-N 2.96Å; A2769-I2802 HydrophobicContact CB-CG2 4.26Å; A2769-I2802 PolarHBondContact N-O 2.84Å; A2769-K2804 HydrophobicContact CB-CB 4.15Å; A2769-W2811 HydrophobicContact CB-CH2 3.8Å; A2769-W2811 HydrophobicContact CB-CZ3 4.42Å; A2769-L2821 HydrophobicContact CB-CD2 3.56Å; A2769-L2829 HydrophobicContact CB-CD2 4.08Å
2770A82.9Confident84.5Confident34.6667 Ų34.666756.2 Ų56.229%0.28731%0.305SS..EExtended strand (participates in β ladder)trans-161.2166.5178.100000111.4F2801 I2802 L2821A2770-F2801 CarbonylContact O-C 3.58Å; A2770-F2801 WeakPolarHBondContact O-CA 3.31Å; A2770-F2801 VanDerWaalsContact O-CB 3.25Å; A2770-F2801 WeakPolarHBondContact O-CB 3.47Å; A2770-I2802 HydrophobicContact CB-CB 4.49Å; A2770-I2802 HydrophobicContact CB-CD1 4.46Å; A2770-I2802 PolarHBondContact N-O 2.83Å; A2770-I2802 PolarHBondContact O-N 2.82Å; A2770-L2821 HydrophobicContact CB-CD1 3.81Å; A2770-L2821 HydrophobicContact CB-CD2 4.23Å
2771G78.6Confident84.9Confident46.6667 Ų46.666754.4 Ų54.448%0.48129%0.293SS..SBendtrans95-14.217100000116.4
2772D84.6Confident85.3Confident24.6667 Ų24.666756.5 Ų56.513%0.13230%0.304CS..  trans-104.760.7172.7-172.326.9000111I2768 K2775 N2776 F2777 F2801I2768-D2772 HydrophobicContact CD1-CB 4.29Å; I2768-D2772 HydrophobicContact CG2-CB 4.05Å; D2772-K2775 PolarHBondContact O-N 3.12Å; D2772-K2775 VanDerWaalsContact OD1-CA 3.26Å; D2772-K2775 WeakPolarHBondContact OD1-CA 3.26Å; D2772-K2775 PolarHBondContact OD1-N 3.19Å; D2772-K2775 VanDerWaalsContact OD1-N 3.08Å; D2772-N2776 PolarHBondContact OD1-N 3.06Å; D2772-F2777 PolarHBondContact OD1-N 2.88Å; D2772-F2777 PolarHBondContact OD2-N 3.14Å; D2772-F2777 VanDerWaalsContact OD2-N 3.09Å; D2772-F2777 VanDerWaalsContact OD2-O 3.08Å; D2772-F2801 HydrophobicContact CB-CB 4.34Å
2773E78.7Confident85.6Confident178.333 Ų178.33354.8 Ų54.883%0.83329%0.29SS*.SBendtrans-67.7-39.2-175.3-61.3-158.1169.100112.2K2775E2773-K2775 VanDerWaalsContact C-N 3.32Å; E2773-K2775 PolarHBondContact O-N 3.19Å
2774D80.2Confident85.9Confident94.6667 Ų94.666755.8 Ų55.851%0.50629%0.288SS..SBendtrans-76.2-10.1177.8-85.8-59.7000114.3N2776 R2789D2774-N2776 VanDerWaalsContact C-N 3.31Å; D2774-N2776 PolarHBondContact O-N 2.91Å; D2774-R2789 VanDerWaalsContact O-CZ 3.27Å; D2774-R2789 PolarHBondContact O-NE 2.94Å; D2774-R2789 VanDerWaalsContact O-NE 3.17Å; D2774-R2789 PolarHBondContact O-NH2 2.99Å; D2774-R2789 IonicContact OD1-CZ 3.62Å; D2774-R2789 IonicContact OD1-NH1 3.93Å; D2774-R2789 PolarHBondContact OD1-NH1 2.57Å; D2774-R2789 IonicContact OD1-NH2 2.78Å; D2774-R2789 PolarHBondContact OD1-NH2 3.35Å
2775K84.8Confident86.2Confident143 Ų14354.2 Ų54.262%0.62228%0.279SS*.  trans59.551.5-176.1-54.5167.3-172.5170.60110.9D2772 E2773 F2777 L2788D2772-K2775 PolarHBondContact O-N 3.12Å; D2772-K2775 VanDerWaalsContact OD1-CA 3.26Å; D2772-K2775 WeakPolarHBondContact OD1-CA 3.26Å; D2772-K2775 PolarHBondContact OD1-N 3.19Å; D2772-K2775 VanDerWaalsContact OD1-N 3.08Å; E2773-K2775 VanDerWaalsContact C-N 3.32Å; E2773-K2775 PolarHBondContact O-N 3.19Å; K2775-F2777 VanDerWaalsContact C-N 3.34Å; K2775-L2788 HydrophobicContact CB-CD1 4.45Å; K2775-L2788 HydrophobicContact CB-CD2 4.24Å; K2775-L2788 WeakPolarHBondContact O-CB 3.44Å; K2775-L2788 WeakPolarHBondContact O-CD2 3.34Å
2776N87.6Confident86.4Confident15.6667 Ų15.666753.5 Ų53.58%0.08428%0.278CS..  trans-72.2-26.6174.6-71.1-16.5000110.7D2772 D2774 L2788 R2789 L2791 F2799D2772-N2776 PolarHBondContact OD1-N 3.06Å; D2774-N2776 VanDerWaalsContact C-N 3.31Å; D2774-N2776 PolarHBondContact O-N 2.91Å; N2776-L2788 WeakPolarHBondContact O-CA 3.39Å; N2776-L2788 VanDerWaalsContact O-CB 3.29Å; N2776-L2788 WeakPolarHBondContact O-CB 3.29Å; N2776-L2788 PolarHBondContact O-N 2.85Å; N2776-R2789 PolarHBondContact O-N 2.77Å; N2776-R2789 WeakPolarHBondContact OD1-CD 3.41Å; N2776-L2791 HydrophobicContact CB-CD2 3.87Å; N2776-F2799 VanDerWaalsContact ND2-CE1 3.34Å; N2776-F2799 WeakPolarHBondContact ND2-CE1 3.28Å
2777F90.9Very high86.5Confident6 Ų652.3 Ų52.33%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-124.7161.3-178.3-55.8-81000113.5V2747 D2772 K2775 L2785 L2786 V2787 L2791 F2799 F2801 V2834V2747-F2777 HydrophobicContact CG2-CD1 4.16Å; V2747-F2777 HydrophobicContact CG2-CE1 4.08Å; D2772-F2777 PolarHBondContact OD1-N 2.88Å; D2772-F2777 PolarHBondContact OD2-N 3.14Å; D2772-F2777 VanDerWaalsContact OD2-N 3.09Å; D2772-F2777 VanDerWaalsContact OD2-O 3.08Å; K2775-F2777 VanDerWaalsContact C-N 3.34Å; F2777-L2785 HydrophobicContact CB-CD1 3.8Å; F2777-L2785 HydrophobicContact CB-CG 4.35Å; F2777-L2785 HydrophobicContact CD1-CD2 4.32Å; F2777-L2785 HydrophobicContact CD1-CG 4.35Å; F2777-L2785 HydrophobicContact CG-CD1 4.4Å; F2777-L2786 CarbonylContact C-O 3.45Å; F2777-L2786 VanDerWaalsContact CA-O 3.23Å; F2777-L2786 WeakPolarHBondContact CA-O 3.3Å; F2777-V2787 HydrophobicContact CE1-CG2 4.49Å; F2777-L2791 HydrophobicContact CE1-CD1 3.84Å; F2777-L2791 HydrophobicContact CE2-CD1 4.48Å; F2777-L2791 HydrophobicContact CZ-CD1 3.75Å; F2777-F2799 HydrophobicContact CE2-CB 3.61Å; F2777-F2799 HydrophobicContact CE2-CD1 4.3Å; F2777-F2799 AromaticContact CE2-CD2 3.9Å; F2777-F2799 HydrophobicContact CE2-CD2 3.97Å; F2777-F2799 AromaticContact CE2-CG 3.68Å; F2777-F2799 HydrophobicContact CE2-CG 3.68Å; F2777-F2799 HydrophobicContact CZ-CB 4.1Å; F2777-F2799 AromaticContact CZ-CD2 3.8Å; F2777-F2799 HydrophobicContact CZ-CD2 3.8Å; F2777-F2799 HydrophobicContact CZ-CE2 4.45Å; F2777-F2799 AromaticContact CZ-CG 3.96Å; F2777-F2799 HydrophobicContact CZ-CG 4.01Å; F2777-F2801 AromaticContact CD2-CD1 3.97Å; F2777-F2801 HydrophobicContact CD2-CD1 4.08Å; F2777-F2801 AromaticContact CD2-CE1 3.61Å; F2777-F2801 HydrophobicContact CD2-CE1 3.61Å; F2777-F2801 VanDerWaalsContact CD2-CE1 3.49Å; F2777-F2801 HydrophobicContact CD2-CZ 4.06Å; F2777-F2801 HydrophobicContact CE2-CD1 4.42Å; F2777-F2801 AromaticContact CE2-CE1 3.69Å; F2777-F2801 HydrophobicContact CE2-CE1 3.88Å; F2777-F2801 HydrophobicContact CE2-CZ 4.48Å; F2777-F2801 HydrophobicContact CG-CE1 4.11Å; F2777-F2801 HydrophobicContact CG-CZ 4.21Å; F2777-F2801 HydrophobicContact CZ-CE1 4.42Å; F2777-V2834 HydrophobicContact CE1-CB 4.3Å; F2777-V2834 HydrophobicContact CE1-CG1 3.98Å; F2777-V2834 HydrophobicContact CE1-CG2 4.09Å; F2777-V2834 HydrophobicContact CZ-CB 3.95Å; F2777-V2834 HydrophobicContact CZ-CG1 3.92Å; F2777-V2834 HydrophobicContact CZ-CG2 4.06Å
2778H89.1Confident86.5Confident92 Ų9253.9 Ų53.943%0.42628%0.284SS..EExtended strand (participates in β ladder)trans-130.1113.3169.1179.344.3000110.1L2785 L2786 L2788H2778-L2785 WeakPolarHBondContact O-CA 3.41Å; H2778-L2786 HydrophobicContact CB-CB 4.39Å; H2778-L2786 PolarHBondContact N-O 3.09Å; H2778-L2786 PolarHBondContact O-N 3.02Å; H2778-L2788 HydrophobicContact CB-CD1 3.88Å; H2778-L2788 HydrophobicContact CB-CG 4.02Å
2779L90.3Very high86.4Confident16 Ų1657.6 Ų57.68%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-89.6125.5171.3-172.962.3000110.6V2750 I2768 G2783 R2784 L2785 V2803V2750-L2779 HydrophobicContact CB-CD1 4.39Å; V2750-L2779 HydrophobicContact CG2-CD1 3.69Å; V2750-L2779 HydrophobicContact CG2-CD2 4.32Å; I2768-L2779 HydrophobicContact CD1-CB 3.82Å; I2768-L2779 VanDerWaalsContact CD1-CB 3.48Å; I2768-L2779 HydrophobicContact CG1-CB 3.7Å; I2768-L2779 HydrophobicContact CG1-CD2 3.99Å; I2768-L2779 HydrophobicContact CG1-CG 4.34Å; L2779-G2783 WeakPolarHBondContact CD1-O 3.41Å; L2779-R2784 WeakPolarHBondContact CA-O 3.24Å; L2779-L2785 HydrophobicContact CB-CD1 4.2Å; L2779-L2785 HydrophobicContact CD1-CB 4.36Å; L2779-L2785 HydrophobicContact CD1-CD1 4.26Å; L2779-V2803 HydrophobicContact CD2-CB 4.37Å; L2779-V2803 HydrophobicContact CD2-CG1 3.58Å; L2779-V2803 HydrophobicContact CD2-CG2 3.85Å
2780Q89.1Confident86.5Confident52.6667 Ų52.666762.1 Ų62.125%0.24632%0.317CS..  trans-83.6152171.6-59.9-164.6-49.500110.7D2782 G2783 R2784 L2786Q2780-D2782 VanDerWaalsContact CB-OD1 3.31Å; Q2780-D2782 WeakPolarHBondContact CB-OD1 3.44Å; Q2780-D2782 PolarHBondContact O-N 3.1Å; Q2780-D2782 VanDerWaalsContact O-N 3.08Å; Q2780-G2783 WeakPolarHBondContact O-CA 3.44Å; Q2780-G2783 PolarHBondContact O-N 3.17Å; Q2780-R2784 HydrophobicContact CB-CB 4.3Å; Q2780-R2784 HydrophobicContact CG-CB 4.28Å; Q2780-R2784 PolarHBondContact N-O 3Å; Q2780-R2784 VanDerWaalsContact OE1-NE 3.1Å; Q2780-R2784 VanDerWaalsContact OE1-NH2 3.08Å; Q2780-L2786 HydrophobicContact CG-CD1 4.06Å
2781P85.9Confident86.8Confident68.6667 Ų68.666760.8 Ų60.845%0.44631%0.305SS..THydrogen-bonded Turntrans-61.9-16.1-177.2-24.634.6000115.4Y2765 Y2766 G2783Y2765-P2781 WeakPolarHBondContact CA-O 3.33Å; Y2765-P2781 HydrophobicContact CD1-CB 4.11Å; Y2766-P2781 PolarHBondContact N-O 3.17Å; P2781-G2783 VanDerWaalsContact C-N 3.32Å
2782D85.2Confident87.2Confident86 Ų8660.8 Ų60.846%0.4629%0.294SS..THydrogen-bonded Turntrans-89.85.4174.366.6-12.3000113.4Q2780 R2784Q2780-D2782 VanDerWaalsContact CB-OD1 3.31Å; Q2780-D2782 WeakPolarHBondContact CB-OD1 3.44Å; Q2780-D2782 PolarHBondContact O-N 3.1Å; Q2780-D2782 VanDerWaalsContact O-N 3.08Å; D2782-R2784 IonicContact OD1-CZ 3.78Å; D2782-R2784 PolarHBondContact OD1-N 3.07Å; D2782-R2784 IonicContact OD1-NE 3.63Å; D2782-R2784 PolarHBondContact OD1-NE 2.8Å; D2782-R2784 VanDerWaalsContact OD1-NE 3.14Å; D2782-R2784 IonicContact OD1-NH2 3.17Å; D2782-R2784 IonicContact OD2-CZ 2.98Å; D2782-R2784 IonicContact OD2-NE 3.06Å; D2782-R2784 PolarHBondContact OD2-NE 2.95Å; D2782-R2784 IonicContact OD2-NH2 3.05Å; D2782-R2784 PolarHBondContact OD2-NH2 3.07Å
2783G86.8Confident87.4Confident0.666667 Ų0.66666760.6 Ų60.61%0.00729%0.292CS..SBendtrans96.9-1.5173.900000115.7N2749 V2750 L2779 Q2780 P2781 L2785N2749-G2783 CarbonylContact C-O 3.57Å; N2749-G2783 VanDerWaalsContact CA-O 3.29Å; N2749-G2783 WeakPolarHBondContact CA-O 3.3Å; V2750-G2783 PolarHBondContact N-O 2.89Å; L2779-G2783 WeakPolarHBondContact CD1-O 3.41Å; Q2780-G2783 WeakPolarHBondContact O-CA 3.44Å; Q2780-G2783 PolarHBondContact O-N 3.17Å; P2781-G2783 VanDerWaalsContact C-N 3.32Å; G2783-L2785 PolarHBondContact O-N 2.79Å
2784R88.8Confident87.7Confident105.333 Ų105.33354.7 Ų54.740%0.39726%0.264SS..EExtended strand (participates in β ladder)trans-78.5126-178.6-74.8-177.7-76.4164.4-1.6113L2746 N2749 L2779 Q2780 D2782L2746-R2784 HydrophobicContact CD1-CB 4.18Å; L2746-R2784 HydrophobicContact CD1-CG 3.89Å; N2749-R2784 WeakPolarHBondContact OD1-CG 3.32Å; L2779-R2784 WeakPolarHBondContact CA-O 3.24Å; Q2780-R2784 HydrophobicContact CB-CB 4.3Å; Q2780-R2784 HydrophobicContact CG-CB 4.28Å; Q2780-R2784 PolarHBondContact N-O 3Å; Q2780-R2784 VanDerWaalsContact OE1-NE 3.1Å; Q2780-R2784 VanDerWaalsContact OE1-NH2 3.08Å; D2782-R2784 IonicContact OD1-CZ 3.78Å; D2782-R2784 PolarHBondContact OD1-N 3.07Å; D2782-R2784 IonicContact OD1-NE 3.63Å; D2782-R2784 PolarHBondContact OD1-NE 2.8Å; D2782-R2784 VanDerWaalsContact OD1-NE 3.14Å; D2782-R2784 IonicContact OD1-NH2 3.17Å; D2782-R2784 IonicContact OD2-CZ 2.98Å; D2782-R2784 IonicContact OD2-NE 3.06Å; D2782-R2784 PolarHBondContact OD2-NE 2.95Å; D2782-R2784 IonicContact OD2-NH2 3.05Å; D2782-R2784 PolarHBondContact OD2-NH2 3.07Å
2785L91.1Very high87.8Confident0 Ų055.8 Ų55.80%027%0.274CS..EExtended strand (participates in β ladder)trans-104.1123.6-178.4-171.777000111.7L2735 V2747 G2748 F2777 H2778 L2779 G2783 F2801 V2834L2735-L2785 HydrophobicContact CD1-CD2 3.79Å; V2747-L2785 HydrophobicContact CB-CB 4.4Å; V2747-L2785 HydrophobicContact CB-CD2 3.92Å; V2747-L2785 HydrophobicContact CB-CG 4.29Å; V2747-L2785 HydrophobicContact CG1-CD2 3.9Å; V2747-L2785 HydrophobicContact CG2-CD2 4.44Å; V2747-L2785 PolarHBondContact N-O 2.99Å; G2748-L2785 PolarHBondContact O-N 3.05Å; F2777-L2785 HydrophobicContact CB-CD1 3.8Å; F2777-L2785 HydrophobicContact CB-CG 4.35Å; F2777-L2785 HydrophobicContact CD1-CD2 4.32Å; F2777-L2785 HydrophobicContact CD1-CG 4.35Å; F2777-L2785 HydrophobicContact CG-CD1 4.4Å; H2778-L2785 WeakPolarHBondContact O-CA 3.41Å; L2779-L2785 HydrophobicContact CB-CD1 4.2Å; L2779-L2785 HydrophobicContact CD1-CB 4.36Å; L2779-L2785 HydrophobicContact CD1-CD1 4.26Å; G2783-L2785 PolarHBondContact O-N 2.79Å; L2785-F2801 HydrophobicContact CD1-CE1 4.48Å; L2785-F2801 HydrophobicContact CD1-CE2 3.95Å; L2785-F2801 HydrophobicContact CD1-CZ 3.86Å; L2785-F2801 HydrophobicContact CD2-CE1 4.14Å; L2785-F2801 HydrophobicContact CD2-CE2 4.25Å; L2785-F2801 HydrophobicContact CD2-CZ 3.57Å; L2785-F2801 HydrophobicContact CG-CZ 4.15Å; L2785-V2834 HydrophobicContact CD2-CG2 3.79Å
2786L91.3Very high87.7Confident38.3333 Ų38.333353.5 Ų53.520%0.20127%0.266CS..EExtended strand (participates in β ladder)trans-120.1142-174.6-59.1170000112T2745 L2746 F2777 H2778 Q2780 L2788T2745-L2786 CarbonylContact O-C 3.52Å; T2745-L2786 WeakPolarHBondContact O-CA 3.22Å; L2746-L2786 HydrophobicContact CB-CD2 4.25Å; L2746-L2786 HydrophobicContact CD1-CD2 3.91Å; F2777-L2786 CarbonylContact C-O 3.45Å; F2777-L2786 VanDerWaalsContact CA-O 3.23Å; F2777-L2786 WeakPolarHBondContact CA-O 3.3Å; H2778-L2786 HydrophobicContact CB-CB 4.39Å; H2778-L2786 PolarHBondContact N-O 3.09Å; H2778-L2786 PolarHBondContact O-N 3.02Å; Q2780-L2786 HydrophobicContact CG-CD1 4.06Å; L2786-L2788 PolarHBondContact O-N 3.48Å
2787V90.6Very high87.6Confident2.33333 Ų2.3333354.6 Ų54.61%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-69.9128.5172.71790000110.7V2737 G2744 T2745 V2747 F2777 R2789 L2791V2737-V2787 HydrophobicContact CG2-CG2 4.15Å; G2744-V2787 WeakPolarHBondContact CA-O 3.33Å; G2744-V2787 PolarHBondContact N-O 3Å; T2745-V2787 PolarHBondContact O-N 3.09Å; V2747-V2787 HydrophobicContact CG2-CG2 3.44Å; V2747-V2787 VanDerWaalsContact CG2-CG2 3.45Å; F2777-V2787 HydrophobicContact CE1-CG2 4.49Å; V2787-R2789 WeakPolarHBondContact CG1-O 3.21Å; V2787-L2791 HydrophobicContact CG1-CD1 4.1Å; V2787-L2791 HydrophobicContact CG1-CG 4.42Å; V2787-L2791 HydrophobicContact CG2-CD1 4.41Å
2788L87.8Confident87.4Confident68.6667 Ų68.666757.2 Ų57.236%0.3629%0.293SS..  trans-110.9-28.5-177.3-136.9156.8000113.8R2743 K2775 N2776 H2778 L2786R2743-L2788 VanDerWaalsContact CD-O 3.25Å; R2743-L2788 WeakPolarHBondContact CD-O 3.29Å; R2743-L2788 WeakPolarHBondContact CG-O 3.33Å; R2743-L2788 VanDerWaalsContact CZ-O 3.29Å; R2743-L2788 PolarHBondContact NE-O 3.08Å; R2743-L2788 VanDerWaalsContact NH2-CD2 3.33Å; R2743-L2788 PolarHBondContact NH2-O 3.08Å; K2775-L2788 HydrophobicContact CB-CD1 4.45Å; K2775-L2788 HydrophobicContact CB-CD2 4.24Å; K2775-L2788 WeakPolarHBondContact O-CB 3.44Å; K2775-L2788 WeakPolarHBondContact O-CD2 3.34Å; N2776-L2788 WeakPolarHBondContact O-CA 3.39Å; N2776-L2788 VanDerWaalsContact O-CB 3.29Å; N2776-L2788 WeakPolarHBondContact O-CB 3.29Å; N2776-L2788 PolarHBondContact O-N 2.85Å; H2778-L2788 HydrophobicContact CB-CD1 3.88Å; H2778-L2788 HydrophobicContact CB-CG 4.02Å; L2786-L2788 PolarHBondContact O-N 3.48Å
2789R86.2Confident87.3Confident118 Ų11853.6 Ų53.645%0.44528%0.276SS..SBendtrans-119.4170.5176.5-68.2-162.6155.9-177.13.7111.3D2774 N2776 V2787 L2791D2774-R2789 VanDerWaalsContact O-CZ 3.27Å; D2774-R2789 PolarHBondContact O-NE 2.94Å; D2774-R2789 VanDerWaalsContact O-NE 3.17Å; D2774-R2789 PolarHBondContact O-NH2 2.99Å; D2774-R2789 IonicContact OD1-CZ 3.62Å; D2774-R2789 IonicContact OD1-NH1 3.93Å; D2774-R2789 PolarHBondContact OD1-NH1 2.57Å; D2774-R2789 IonicContact OD1-NH2 2.78Å; D2774-R2789 PolarHBondContact OD1-NH2 3.35Å; N2776-R2789 PolarHBondContact O-N 2.77Å; N2776-R2789 WeakPolarHBondContact OD1-CD 3.41Å; V2787-R2789 WeakPolarHBondContact CG1-O 3.21Å; R2789-L2791 HydrophobicContact CB-CD2 4.39Å
2790D86.5Confident87.2Confident111.333 Ų111.33355.5 Ų55.560%0.59529%0.291SS*.  trans-71.1137.7162.5-152.8-18.9000108.1H2740H2740-D2790 WeakPolarHBondContact CA-OD1 3.41Å; H2740-D2790 IonicContact CG-OD1 3.39Å; H2740-D2790 IonicContact ND1-OD1 3.06Å; H2740-D2790 PolarHBondContact ND1-OD1 3.28Å
2791L88.8Confident87Confident7.33333 Ų7.3333353.1 Ų53.14%0.03828%0.28CS..  trans-130.7140.2-172.6-55.2176.1000108.9E2739 H2740 N2776 F2777 V2787 R2789 F2799 L2836E2739-L2791 WeakPolarHBondContact CB-O 3.05Å; H2740-L2791 PolarHBondContact N-O 3.07Å; N2776-L2791 HydrophobicContact CB-CD2 3.87Å; F2777-L2791 HydrophobicContact CE1-CD1 3.84Å; F2777-L2791 HydrophobicContact CE2-CD1 4.48Å; F2777-L2791 HydrophobicContact CZ-CD1 3.75Å; V2787-L2791 HydrophobicContact CG1-CD1 4.1Å; V2787-L2791 HydrophobicContact CG1-CG 4.42Å; V2787-L2791 HydrophobicContact CG2-CD1 4.41Å; R2789-L2791 HydrophobicContact CB-CD2 4.39Å; L2791-F2799 HydrophobicContact CB-CE2 4.25Å; L2791-F2799 HydrophobicContact CB-CZ 4.42Å; L2791-F2799 HydrophobicContact CD1-CE2 4.14Å; L2791-F2799 HydrophobicContact CD2-CE1 4.43Å; L2791-F2799 HydrophobicContact CD2-CE2 4.08Å; L2791-F2799 HydrophobicContact CD2-CZ 3.88Å; L2791-F2799 HydrophobicContact CG-CE2 4.36Å; L2791-L2836 HydrophobicContact CB-CD1 3.98Å; L2791-L2836 HydrophobicContact CB-CD2 3.95Å; L2791-L2836 HydrophobicContact CD1-CD2 4.12Å
2792D87Confident87.1Confident46.6667 Ų46.666751.1 Ų51.125%0.2527%0.265CS..  trans-141.7121.5-161.2177.6102000108.1H2740 E2794 T2795 E2796H2740-D2792 IonicContact CE1-OD1 3.05Å; H2740-D2792 PolarHBondContact CE1-OD1 3.07Å; H2740-D2792 IonicContact NE2-OD1 3.71Å; D2792-E2794 VanDerWaalsContact C-N 3.34Å; D2792-T2795 PolarHBondContact O-N 3.45Å; D2792-T2795 VanDerWaalsContact OD2-CB 3.25Å; D2792-T2795 WeakPolarHBondContact OD2-CB 3.41Å; D2792-T2795 PolarHBondContact OD2-N 3.18Å; D2792-T2795 VanDerWaalsContact OD2-N 3.1Å; D2792-T2795 PolarHBondContact OD2-OG1 3.19Å; D2792-E2796 PolarHBondContact O-N 2.98Å; D2792-E2796 VanDerWaalsContact O-N 3.13Å
2793R89.1Confident87.3Confident21.6667 Ų21.666747 Ų478%0.08224%0.243CC..Hα-helixtrans-76.4-32.3-166.9-169-165.666.357.3-8.9112.1E2739 T2795 E2796 A2797 L2836 D2838 A2873 I2875E2739-R2793 HydrophobicContact CB-CB 4.36Å; E2739-R2793 WeakPolarHBondContact OE2-CA 3.28Å; E2739-R2793 WeakPolarHBondContact OE2-CB 3.22Å; E2739-R2793 PolarHBondContact OE2-N 2.92Å; R2793-T2795 VanDerWaalsContact C-N 3.29Å; R2793-T2795 PolarHBondContact O-N 3.24Å; R2793-E2796 CarbonylContact O-C 3.46Å; R2793-E2796 PolarHBondContact O-N 3Å; R2793-A2797 HydrophobicContact CG-CB 3.59Å; R2793-A2797 WeakPolarHBondContact O-CA 3.38Å; R2793-A2797 WeakPolarHBondContact O-CB 3.33Å; R2793-A2797 PolarHBondContact O-N 3.12Å; R2793-A2797 VanDerWaalsContact O-N 3.09Å; R2793-L2836 HydrophobicContact CB-CB 4.06Å; R2793-L2836 HydrophobicContact CB-CD1 4.16Å; R2793-L2836 HydrophobicContact CG-CB 4.05Å; R2793-D2838 IonicContact CZ-OD1 3.17Å; R2793-D2838 IonicContact NE-OD1 3.57Å; R2793-D2838 PolarHBondContact NE-OD1 3.02Å; R2793-D2838 IonicContact NH2-OD1 3.14Å; R2793-D2838 PolarHBondContact NH2-OD1 2.87Å; R2793-A2873 PolarHBondContact NH2-O 2.99Å; R2793-A2873 VanDerWaalsContact NH2-O 3.15Å; R2793-I2875 VanDerWaalsContact CZ-CD1 3.47Å
2794E84.3Confident87.3Confident53.3333 Ų53.333347.8 Ų47.825%0.24925%0.246CC..Hα-helixtrans-67.1-32.9179-72.948.5-108.100110.4D2792 Q2842 A2873D2792-E2794 VanDerWaalsContact C-N 3.34Å; E2794-Q2842 HydrophobicContact CG-CG 3.64Å; E2794-A2873 HydrophobicContact CG-CB 4Å
2795T83Confident87.3Confident118 Ų11842.8 Ų42.872%0.72423%0.228SC*.Hα-helixtrans-77.5-53.4171.8-57.30000111.8D2792 R2793D2792-T2795 PolarHBondContact O-N 3.45Å; D2792-T2795 VanDerWaalsContact OD2-CB 3.25Å; D2792-T2795 WeakPolarHBondContact OD2-CB 3.41Å; D2792-T2795 PolarHBondContact OD2-N 3.18Å; D2792-T2795 VanDerWaalsContact OD2-N 3.1Å; D2792-T2795 PolarHBondContact OD2-OG1 3.19Å; R2793-T2795 VanDerWaalsContact C-N 3.29Å; R2793-T2795 PolarHBondContact O-N 3.24Å
2796E83Confident87.1Confident95.6667 Ų95.666743.2 Ų43.245%0.44723%0.23SC..Hα-helixtrans-152.293.1-179.5-167.3171.3-17300112.6D2792 R2793 T2798 F2799D2792-E2796 PolarHBondContact O-N 2.98Å; D2792-E2796 VanDerWaalsContact O-N 3.13Å; R2793-E2796 CarbonylContact O-C 3.46Å; R2793-E2796 PolarHBondContact O-N 3Å; E2796-T2798 VanDerWaalsContact C-N 3.29Å; E2796-T2798 PolarHBondContact O-N 2.98Å; E2796-F2799 HydrophobicContact CB-CE1 4.01Å; E2796-F2799 HydrophobicContact CB-CZ 3.98Å; E2796-F2799 VanDerWaalsContact CD-CE1 3.45Å; E2796-F2799 HydrophobicContact CG-CD1 4.26Å; E2796-F2799 HydrophobicContact CG-CE1 3.91Å; E2796-F2799 HydrophobicContact CG-CZ 4.24Å; E2796-F2799 VanDerWaalsContact O-CE2 3.23Å; E2796-F2799 WeakPolarHBondContact O-CE2 3.4Å; E2796-F2799 WeakPolarHBondContact O-CZ 3.37Å; E2796-F2799 WeakPolarHBondContact OE2-CE1 3.23Å
2797A83.9Confident86.7Confident37.6667 Ų37.666743.4 Ų43.431%0.31124%0.235SC..SBendtrans-65.6-18.2-174.700000116R2793 L2836R2793-A2797 HydrophobicContact CG-CB 3.59Å; R2793-A2797 WeakPolarHBondContact O-CA 3.38Å; R2793-A2797 WeakPolarHBondContact O-CB 3.33Å; R2793-A2797 PolarHBondContact O-N 3.12Å; R2793-A2797 VanDerWaalsContact O-N 3.09Å; A2797-L2836 PolarHBondContact O-N 3.22Å
2798T87.1Confident86.3Confident61.6667 Ų61.666747.2 Ų47.238%0.37826%0.255SS..EExtended strand (participates in β ladder)trans-148115.8-175.3-57.10000111.5E2796 R2833 V2834 V2835E2796-T2798 VanDerWaalsContact C-N 3.29Å; E2796-T2798 PolarHBondContact O-N 2.98Å; T2798-R2833 HydrophobicContact CG2-CB 4.28Å; T2798-V2834 CarbonylContact C-O 3.54Å; T2798-V2834 WeakPolarHBondContact CA-O 3.29Å; T2798-V2835 HydrophobicContact CG2-CG2 4.05Å
2799F87.8Confident86Confident16 Ų1652.5 Ų52.57%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-93.8126.9173.2-58.2-83.5000110.1N2776 F2777 L2791 E2796 F2801 R2833 V2834 L2836N2776-F2799 VanDerWaalsContact ND2-CE1 3.34Å; N2776-F2799 WeakPolarHBondContact ND2-CE1 3.28Å; F2777-F2799 HydrophobicContact CE2-CB 3.61Å; F2777-F2799 HydrophobicContact CE2-CD1 4.3Å; F2777-F2799 AromaticContact CE2-CD2 3.9Å; F2777-F2799 HydrophobicContact CE2-CD2 3.97Å; F2777-F2799 AromaticContact CE2-CG 3.68Å; F2777-F2799 HydrophobicContact CE2-CG 3.68Å; F2777-F2799 HydrophobicContact CZ-CB 4.1Å; F2777-F2799 AromaticContact CZ-CD2 3.8Å; F2777-F2799 HydrophobicContact CZ-CD2 3.8Å; F2777-F2799 HydrophobicContact CZ-CE2 4.45Å; F2777-F2799 AromaticContact CZ-CG 3.96Å; F2777-F2799 HydrophobicContact CZ-CG 4.01Å; L2791-F2799 HydrophobicContact CB-CE2 4.25Å; L2791-F2799 HydrophobicContact CB-CZ 4.42Å; L2791-F2799 HydrophobicContact CD1-CE2 4.14Å; L2791-F2799 HydrophobicContact CD2-CE1 4.43Å; L2791-F2799 HydrophobicContact CD2-CE2 4.08Å; L2791-F2799 HydrophobicContact CD2-CZ 3.88Å; L2791-F2799 HydrophobicContact CG-CE2 4.36Å; E2796-F2799 HydrophobicContact CB-CE1 4.01Å; E2796-F2799 HydrophobicContact CB-CZ 3.98Å; E2796-F2799 VanDerWaalsContact CD-CE1 3.45Å; E2796-F2799 HydrophobicContact CG-CD1 4.26Å; E2796-F2799 HydrophobicContact CG-CE1 3.91Å; E2796-F2799 HydrophobicContact CG-CZ 4.24Å; E2796-F2799 VanDerWaalsContact O-CE2 3.23Å; E2796-F2799 WeakPolarHBondContact O-CE2 3.4Å; E2796-F2799 WeakPolarHBondContact O-CZ 3.37Å; E2796-F2799 WeakPolarHBondContact OE2-CE1 3.23Å; F2799-F2801 HydrophobicContact CB-CD1 4.35Å; F2799-F2801 HydrophobicContact CB-CE1 4.15Å; F2799-R2833 CarbonylContact O-C 3.42Å; F2799-R2833 VanDerWaalsContact O-CA 3.31Å; F2799-R2833 WeakPolarHBondContact O-CA 3.34Å; F2799-V2834 HydrophobicContact CB-CB 4.44Å; F2799-V2834 PolarHBondContact N-O 2.7Å; F2799-V2834 PolarHBondContact O-N 2.97Å; F2799-L2836 HydrophobicContact CE2-CD1 3.89Å; F2799-L2836 HydrophobicContact CE2-CD2 4.2Å; F2799-L2836 HydrophobicContact CE2-CG 4.11Å
2800S87Confident85.8Confident56.3333 Ų56.333351.3 Ų51.339%0.39428%0.28SS..EExtended strand (participates in β ladder)trans-115.8126.2173.2970000111V2832S2800-V2832 WeakPolarHBondContact CA-O 3.47Å
2801F86.6Confident85.5Confident2 Ų248.3 Ų48.31%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-139.3155.7172.947.9-92.7000111.2I2768 A2770 D2772 F2777 L2785 F2799 V2803 V2832 V2834I2768-F2801 HydrophobicContact CG1-CD2 4.31Å; I2768-F2801 HydrophobicContact CG2-CB 4.32Å; A2770-F2801 CarbonylContact O-C 3.58Å; A2770-F2801 WeakPolarHBondContact O-CA 3.31Å; A2770-F2801 VanDerWaalsContact O-CB 3.25Å; A2770-F2801 WeakPolarHBondContact O-CB 3.47Å; D2772-F2801 HydrophobicContact CB-CB 4.34Å; F2777-F2801 AromaticContact CD2-CD1 3.97Å; F2777-F2801 HydrophobicContact CD2-CD1 4.08Å; F2777-F2801 AromaticContact CD2-CE1 3.61Å; F2777-F2801 HydrophobicContact CD2-CE1 3.61Å; F2777-F2801 VanDerWaalsContact CD2-CE1 3.49Å; F2777-F2801 HydrophobicContact CD2-CZ 4.06Å; F2777-F2801 HydrophobicContact CE2-CD1 4.42Å; F2777-F2801 AromaticContact CE2-CE1 3.69Å; F2777-F2801 HydrophobicContact CE2-CE1 3.88Å; F2777-F2801 HydrophobicContact CE2-CZ 4.48Å; F2777-F2801 HydrophobicContact CG-CE1 4.11Å; F2777-F2801 HydrophobicContact CG-CZ 4.21Å; F2777-F2801 HydrophobicContact CZ-CE1 4.42Å; L2785-F2801 HydrophobicContact CD1-CE1 4.48Å; L2785-F2801 HydrophobicContact CD1-CE2 3.95Å; L2785-F2801 HydrophobicContact CD1-CZ 3.86Å; L2785-F2801 HydrophobicContact CD2-CE1 4.14Å; L2785-F2801 HydrophobicContact CD2-CE2 4.25Å; L2785-F2801 HydrophobicContact CD2-CZ 3.57Å; L2785-F2801 HydrophobicContact CG-CZ 4.15Å; F2799-F2801 HydrophobicContact CB-CD1 4.35Å; F2799-F2801 HydrophobicContact CB-CE1 4.15Å; F2801-V2803 HydrophobicContact CD2-CG2 4.12Å; F2801-V2803 HydrophobicContact CE2-CG2 4.24Å; F2801-V2832 HydrophobicContact CD2-CB 4.19Å; F2801-V2832 HydrophobicContact CE2-CB 3.74Å; F2801-V2832 HydrophobicContact CE2-CG1 3.84Å; F2801-V2832 HydrophobicContact CE2-CG2 4.23Å; F2801-V2832 HydrophobicContact CZ-CB 3.83Å; F2801-V2832 HydrophobicContact CZ-CG1 3.91Å; F2801-V2832 PolarHBondContact N-O 2.98Å; F2801-V2832 PolarHBondContact O-N 3.27Å; F2801-V2834 HydrophobicContact CE1-CG2 3.8Å; F2801-V2834 HydrophobicContact CZ-CG2 3.84Å
2802I87.7Confident84.8Confident25.5 Ų25.552.9 Ų52.913%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-98.9126.4-176-57.8179.2000108.2A2769 A2770 L2821 L2823 L2829A2769-I2802 HydrophobicContact CB-CG2 4.26Å; A2769-I2802 PolarHBondContact N-O 2.84Å; A2770-I2802 HydrophobicContact CB-CB 4.49Å; A2770-I2802 HydrophobicContact CB-CD1 4.46Å; A2770-I2802 PolarHBondContact N-O 2.83Å; A2770-I2802 PolarHBondContact O-N 2.82Å; I2802-L2821 HydrophobicContact CD1-CB 3.98Å; I2802-L2821 HydrophobicContact CG2-CD2 4.32Å; I2802-L2823 HydrophobicContact CB-CD2 4.33Å; I2802-L2823 HydrophobicContact CD1-CD1 3.96Å; I2802-L2823 HydrophobicContact CD1-CD2 4.11Å; I2802-L2823 HydrophobicContact CD1-CG 3.87Å; I2802-L2823 HydrophobicContact CG1-CD1 4.07Å; I2802-L2823 HydrophobicContact CG1-CD2 3.94Å; I2802-L2823 HydrophobicContact CG1-CG 4.16Å; I2802-L2823 HydrophobicContact CG2-CD2 3.94Å; I2802-L2829 HydrophobicContact CG2-CB 3.85Å; I2802-L2829 HydrophobicContact CG2-CD1 4.25Å; I2802-L2829 HydrophobicContact CG2-CD2 3.97Å; I2802-L2829 HydrophobicContact CG2-CG 4.24Å
2803V89.1Confident84Confident0 Ų053.7 Ų53.70%030%0.297CS..EExtended strand (participates in β ladder)trans-105.6134.1173.8-179.40000109.4F2722 V2750 Y2766 F2767 L2779 F2801 L2829 Q2830 V2832F2722-V2803 HydrophobicContact CZ-CG1 4.42Å; V2750-V2803 HydrophobicContact CG1-CB 4.42Å; V2750-V2803 HydrophobicContact CG1-CG1 4.1Å; V2750-V2803 HydrophobicContact CG2-CG2 4.39Å; Y2766-V2803 HydrophobicContact CD1-CG1 4.27Å; F2767-V2803 CarbonylContact O-C 3.42Å; F2767-V2803 VanDerWaalsContact O-CA 3.28Å; F2767-V2803 WeakPolarHBondContact O-CA 3.44Å; F2767-V2803 WeakPolarHBondContact O-CG1 3.32Å; L2779-V2803 HydrophobicContact CD2-CB 4.37Å; L2779-V2803 HydrophobicContact CD2-CG1 3.58Å; L2779-V2803 HydrophobicContact CD2-CG2 3.85Å; F2801-V2803 HydrophobicContact CD2-CG2 4.12Å; F2801-V2803 HydrophobicContact CE2-CG2 4.24Å; V2803-L2829 CarbonylContact O-C 3.54Å; V2803-L2829 VanDerWaalsContact O-CA 3.24Å; V2803-L2829 WeakPolarHBondContact O-CA 3.28Å; V2803-Q2830 PolarHBondContact N-O 2.79Å; V2803-Q2830 PolarHBondContact O-N 3.04Å; V2803-V2832 HydrophobicContact CB-CG2 4.36Å; V2803-V2832 HydrophobicContact CG2-CB 4.3Å; V2803-V2832 HydrophobicContact CG2-CG2 3.69Å
2804K87.4Confident82.8Confident18.5 Ų18.557 Ų578%0.0832%0.321CS..EExtended strand (participates in β ladder)trans-101132170.7-173.6168.3175.284.30111E2719 Y2766 F2767 A2769 W2811 D2826 T2828 L2829E2719-K2804 IonicContact OE2-NZ 2.83Å; E2719-K2804 PolarHBondContact OE2-NZ 2.92Å; Y2766-K2804 CarbonylContact C-O 3.56Å; Y2766-K2804 WeakPolarHBondContact CA-O 3.26Å; F2767-K2804 PolarHBondContact N-O 3.24Å; F2767-K2804 PolarHBondContact O-N 3.12Å; A2769-K2804 HydrophobicContact CB-CB 4.15Å; K2804-W2811 HydrophobicContact CB-CH2 4.4Å; K2804-W2811 HydrophobicContact CB-CZ3 4.43Å; K2804-W2811 HydrophobicContact CD-CD2 4.1Å; K2804-W2811 VanDerWaalsContact CD-CE2 3.47Å; K2804-W2811 HydrophobicContact CD-CH2 4.02Å; K2804-W2811 HydrophobicContact CD-CZ2 3.59Å; K2804-W2811 VanDerWaalsContact CD-CZ2 3.43Å; K2804-D2826 IonicContact NZ-OD2 3.98Å; K2804-D2826 PolarHBondContact NZ-OD2 3.3Å; K2804-T2828 CarbonylContact C-O 3.53Å; K2804-T2828 VanDerWaalsContact CA-O 3.31Å; K2804-T2828 WeakPolarHBondContact CA-O 3.39Å; K2804-T2828 PolarHBondContact NZ-OG1 3.04Å; K2804-L2829 HydrophobicContact CB-CD2 3.59Å; K2804-L2829 VanDerWaalsContact CB-CD2 3.45Å; K2804-L2829 HydrophobicContact CD-CD2 4.08Å; K2804-L2829 HydrophobicContact CG-CD2 3.83Å
2805A88.3Confident81.4Confident0 Ų066.6 Ų66.60%036%0.355CS..EExtended strand (participates in β ladder)trans-85.9137.5162.100000109.5P2720 F2722 A2753 V2764 Y2765 Y2766 T2828P2720-A2805 HydrophobicContact CB-CB 4.25Å; P2720-A2805 HydrophobicContact CG-CB 4.02Å; F2722-A2805 HydrophobicContact CD2-CB 4.11Å; F2722-A2805 HydrophobicContact CE2-CB 3.57Å; F2722-A2805 VanDerWaalsContact CE2-CB 3.48Å; F2722-A2805 HydrophobicContact CZ-CB 4.02Å; A2753-A2805 HydrophobicContact CB-CB 3.54Å; A2753-A2805 VanDerWaalsContact CB-CB 3.48Å; V2764-A2805 HydrophobicContact CG1-CB 3.86Å; Y2765-A2805 CarbonylContact O-C 3.45Å; Y2765-A2805 VanDerWaalsContact O-CA 3.25Å; Y2765-A2805 WeakPolarHBondContact O-CA 3.43Å; Y2766-A2805 HydrophobicContact CD1-CB 4.26Å; Y2766-A2805 HydrophobicContact CE1-CB 4.14Å; A2805-T2828 PolarHBondContact N-O 3.34Å; A2805-T2828 WeakPolarHBondContact O-CB 3.44Å
2806S86.4Confident80.1Confident8.5 Ų8.563.4 Ų63.46%0.05935%0.345CS..EExtended strand (participates in β ladder)trans-152.1140.4-179.9174.40000111.2Y2765 N2808Y2765-S2806 WeakPolarHBondContact CB-O 3.23Å; Y2765-S2806 WeakPolarHBondContact CD2-O 3.34Å; Y2765-S2806 PolarHBondContact N-O 3.02Å; Y2765-S2806 PolarHBondContact O-N 2.99Å; S2806-N2808 PolarHBondContact O-N 2.91Å; S2806-N2808 PolarHBondContact OG-N 3.12Å; S2806-N2808 VanDerWaalsContact OG-N 3.1Å; S2806-N2808 PolarHBondContact OG-O 2.8Å; S2806-N2808 VanDerWaalsContact OG-O 3.14Å
2807S82.6Confident78.5Confident43 Ų4365.6 Ų65.630%0.30137%0.367SS..SBendtrans-68.1-23.3168.456.40000111.9D2716 I2763 Y2765 R2809D2716-S2807 WeakPolarHBondContact OD1-CB 3.38Å; D2716-S2807 PolarHBondContact OD1-OG 2.76Å; I2763-S2807 VanDerWaalsContact O-CA 3.29Å; I2763-S2807 WeakPolarHBondContact O-CA 3.1Å; Y2765-S2807 VanDerWaalsContact CD2-O 3.28Å; Y2765-S2807 WeakPolarHBondContact CD2-O 3.39Å; Y2765-S2807 VanDerWaalsContact CE2-O 3.3Å; Y2765-S2807 WeakPolarHBondContact CE2-O 3.48Å; S2807-R2809 PolarHBondContact O-N 2.68Å
2808N82.5Confident76.7Confident80.5 Ų80.566.2 Ų66.243%0.4337%0.37SS..  trans-83.8106.9177.1-175.7-4.9000112.9F2767 S2806 S2810 W2811F2767-N2808 WeakPolarHBondContact CE2-O 3.31Å; S2806-N2808 PolarHBondContact O-N 2.91Å; S2806-N2808 PolarHBondContact OG-N 3.12Å; S2806-N2808 VanDerWaalsContact OG-N 3.1Å; S2806-N2808 PolarHBondContact OG-O 2.8Å; S2806-N2808 VanDerWaalsContact OG-O 3.14Å; N2808-S2810 PolarHBondContact O-N 3.48Å; N2808-S2810 VanDerWaalsContact O-N 3.1Å; N2808-S2810 WeakPolarHBondContact OD1-CA 3.45Å; N2808-S2810 PolarHBondContact OD1-N 2.97Å; N2808-S2810 PolarHBondContact OD1-OG 2.89Å; N2808-W2811 WeakPolarHBondContact O-CB 3.41Å; N2808-W2811 PolarHBondContact O-N 2.87Å
2809R81.9Confident75Confident180 Ų18068.8 Ų68.868%0.67939%0.388SS*.THydrogen-bonded Turntrans-57.7-21.7175.9-163.8176.8180-151.10.3115.3Y2765 F2767 S2807Y2765-R2809 HydrophobicContact CD1-CB 4.45Å; Y2765-R2809 HydrophobicContact CD1-CG 4.04Å; Y2765-R2809 HydrophobicContact CD2-CB 3.81Å; Y2765-R2809 HydrophobicContact CD2-CG 4.29Å; Y2765-R2809 HydrophobicContact CE1-CB 4.22Å; Y2765-R2809 HydrophobicContact CE1-CG 3.77Å; Y2765-R2809 HydrophobicContact CE2-CB 3.52Å; Y2765-R2809 VanDerWaalsContact CE2-CB 3.49Å; Y2765-R2809 HydrophobicContact CE2-CG 4.03Å; Y2765-R2809 HydrophobicContact CG-CB 4.26Å; Y2765-R2809 HydrophobicContact CG-CG 4.28Å; F2767-R2809 WeakPolarHBondContact CZ-O 3.24Å; S2807-R2809 PolarHBondContact O-N 2.68Å
2810S80.8Confident73.4Confident93.5 Ų93.572.6 Ų72.665%0.65442%0.422SS*.THydrogen-bonded Turntrans-10520.2-176.65.20000113N2808 T2812N2808-S2810 PolarHBondContact O-N 3.48Å; N2808-S2810 VanDerWaalsContact O-N 3.1Å; N2808-S2810 WeakPolarHBondContact OD1-CA 3.45Å; N2808-S2810 PolarHBondContact OD1-N 2.97Å; N2808-S2810 PolarHBondContact OD1-OG 2.89Å; S2810-T2812 PolarHBondContact O-N 2.87Å
2811W81.6Confident72.3Confident49.5 Ų49.573.1 Ų73.119%0.18842%0.42CS..  trans-57.8139.6176.7-171.989.1000111.4F2767 A2769 K2804 N2808 P2813F2767-W2811 HydrophobicContact CB-CE3 3.52Å; F2767-W2811 VanDerWaalsContact CB-CE3 3.49Å; F2767-W2811 HydrophobicContact CB-CZ3 3.7Å; F2767-W2811 HydrophobicContact CD1-CE3 4.38Å; F2767-W2811 HydrophobicContact CD2-CB 3.98Å; F2767-W2811 HydrophobicContact CD2-CD2 4.42Å; F2767-W2811 AromaticContact CD2-CE3 3.93Å; F2767-W2811 HydrophobicContact CD2-CE3 4Å; F2767-W2811 HydrophobicContact CD2-CG 4.37Å; F2767-W2811 HydrophobicContact CE1-CB 4.45Å; F2767-W2811 HydrophobicContact CE2-CB 3.78Å; F2767-W2811 HydrophobicContact CG-CB 4.36Å; F2767-W2811 HydrophobicContact CG-CD2 4.47Å; F2767-W2811 AromaticContact CG-CE3 3.72Å; F2767-W2811 HydrophobicContact CG-CE3 3.72Å; F2767-W2811 HydrophobicContact CG-CZ3 4.39Å; F2767-W2811 HydrophobicContact CZ-CB 4.17Å; A2769-W2811 HydrophobicContact CB-CH2 3.8Å; A2769-W2811 HydrophobicContact CB-CZ3 4.42Å; K2804-W2811 HydrophobicContact CB-CH2 4.4Å; K2804-W2811 HydrophobicContact CB-CZ3 4.43Å; K2804-W2811 HydrophobicContact CD-CD2 4.1Å; K2804-W2811 VanDerWaalsContact CD-CE2 3.47Å; K2804-W2811 HydrophobicContact CD-CH2 4.02Å; K2804-W2811 HydrophobicContact CD-CZ2 3.59Å; K2804-W2811 VanDerWaalsContact CD-CZ2 3.43Å; N2808-W2811 WeakPolarHBondContact O-CB 3.41Å; N2808-W2811 PolarHBondContact O-N 2.87Å; W2811-P2813 HydrophobicContact CH2-CB 3.84Å; W2811-P2813 HydrophobicContact CZ3-CB 4.1Å; W2811-P2813 HydrophobicContact CZ3-CG 4.48Å
2812T74.3Confident71.3Confident103 Ų10376.4 Ų76.463%0.63244%0.438SS*.  trans-136.9141.8174.353.30000109.2S2810S2810-T2812 PolarHBondContact O-N 2.87Å
2813P69.7Low70.4Confident63 Ų6378.1 Ų78.141%0.40945%0.446SS..  trans-62.3142.2-178.923.3-32.1000111.2W2811 R2815W2811-P2813 HydrophobicContact CH2-CB 3.84Å; W2811-P2813 HydrophobicContact CZ3-CB 4.1Å; W2811-P2813 HydrophobicContact CZ3-CG 4.48Å; P2813-R2815 PolarHBondContact O-N 3.04Å
2814P65Low69.4Low92 Ų9284 Ų8460%0.59748%0.477SS*.  trans-57.7133.7-179.4-3.94.2000112.1G2816 S2818P2814-G2816 PolarHBondContact O-N 2.86Å; P2814-S2818 WeakPolarHBondContact CG-OG 3.18Å; P2814-S2818 PolarHBondContact O-OG 3.04Å
2815R53.5Low68.5Low255 Ų25588 Ų8896%0.96250%0.504SS*.SBendtrans-92.696.8174.4-64.6-173.3-159.2-166.25110.2P2813P2813-R2815 PolarHBondContact O-N 3.04Å
2816G56.6Low67.9Low50 Ų5090.3 Ų90.352%0.51552%0.516SS..SBendtrans165.8177.9176.300000110.8P2814 S2818P2814-G2816 PolarHBondContact O-N 2.86Å; G2816-S2818 VanDerWaalsContact C-N 3.33Å; G2816-S2818 PolarHBondContact O-N 2.9Å; G2816-S2818 PolarHBondContact O-OG 3.06Å; G2816-S2818 VanDerWaalsContact O-OG 3.08Å
2817P49.1Very low67.7Low141 Ų14192.5 Ų92.592%0.91653%0.527SS*.SBendtrans-65.791.4165.529-31.3000107.6
2818S45.9Very low67.7Low51.5 Ų51.590.5 Ų90.536%0.3651%0.513SS..PPolyproline II helixtrans-65.9141.4-179.1-56.80000108.8P2814 G2816 A2820P2814-S2818 WeakPolarHBondContact CG-OG 3.18Å; P2814-S2818 PolarHBondContact O-OG 3.04Å; G2816-S2818 VanDerWaalsContact C-N 3.33Å; G2816-S2818 PolarHBondContact O-N 2.9Å; G2816-S2818 PolarHBondContact O-OG 3.06Å; G2816-S2818 VanDerWaalsContact O-OG 3.08Å; S2818-A2820 PolarHBondContact O-N 3.39Å
2819P50.9Low67.9Low116.5 Ų116.587.1 Ų87.176%0.75650%0.495SS*.  trans-55.5143.4165.726.9-32.3000108.2L2821P2819-L2821 PolarHBondContact O-N 3.09Å
2820A54.5Low68.1Low95.5 Ų95.579.6 Ų79.679%0.78947%0.467SS*.  trans-47121.7-176.900000110.3S2818 D2822S2818-A2820 PolarHBondContact O-N 3.39Å; A2820-D2822 PolarHBondContact O-N 3.31Å
2821L63.2Low68.4Low67 Ų6776.9 Ų76.935%0.35144%0.444SS..  trans-66.4101.8177.8-76.8114.4000108.2A2769 A2770 I2802 P2819 L2823 L2829A2769-L2821 HydrophobicContact CB-CD2 3.56Å; A2770-L2821 HydrophobicContact CB-CD1 3.81Å; A2770-L2821 HydrophobicContact CB-CD2 4.23Å; I2802-L2821 HydrophobicContact CD1-CB 3.98Å; I2802-L2821 HydrophobicContact CG2-CD2 4.32Å; P2819-L2821 PolarHBondContact O-N 3.09Å; L2821-L2823 PolarHBondContact O-N 3.22Å; L2821-L2829 HydrophobicContact CB-CD1 4.04Å; L2821-L2829 HydrophobicContact CD2-CD1 3.7Å; L2821-L2829 HydrophobicContact CD2-CD2 4.2Å; L2821-L2829 HydrophobicContact CG-CD1 4.26Å
2822D65.5Low68.7Low71 Ų7174.5 Ų74.538%0.3844%0.435SS..  trans-9398.9-174.6-176.24.2000110.9A2820 L2824 T2825 D2826A2820-D2822 PolarHBondContact O-N 3.31Å; D2822-L2824 PolarHBondContact O-N 3.07Å; D2822-L2824 VanDerWaalsContact O-N 3.09Å; D2822-L2824 WeakPolarHBondContact OD1-CB 3.43Å; D2822-L2824 PolarHBondContact OD1-N 3.29Å; D2822-L2824 VanDerWaalsContact OD1-N 3.16Å; D2822-T2825 VanDerWaalsContact CB-OG1 3.24Å; D2822-T2825 WeakPolarHBondContact CB-OG1 3.38Å; D2822-T2825 VanDerWaalsContact CG-OG1 3.3Å; D2822-T2825 PolarHBondContact O-N 3.07Å; D2822-T2825 VanDerWaalsContact O-N 3.12Å; D2822-T2825 PolarHBondContact O-OG1 2.81Å; D2822-T2825 WeakPolarHBondContact OD2-CG2 3.27Å; D2822-T2825 PolarHBondContact OD2-OG1 3.03Å; D2822-D2826 PolarHBondContact O-N 3.03Å
2823L69Low69.4Low60.5 Ų60.573.6 Ų73.632%0.31742%0.42SS..THydrogen-bonded Turntrans-57.8-21.8177.1-70.4161.1000113.8I2802 L2821 L2829 E2831I2802-L2823 HydrophobicContact CB-CD2 4.33Å; I2802-L2823 HydrophobicContact CD1-CD1 3.96Å; I2802-L2823 HydrophobicContact CD1-CD2 4.11Å; I2802-L2823 HydrophobicContact CD1-CG 3.87Å; I2802-L2823 HydrophobicContact CG1-CD1 4.07Å; I2802-L2823 HydrophobicContact CG1-CD2 3.94Å; I2802-L2823 HydrophobicContact CG1-CG 4.16Å; I2802-L2823 HydrophobicContact CG2-CD2 3.94Å; L2821-L2823 PolarHBondContact O-N 3.22Å; L2823-L2829 HydrophobicContact CD2-CB 3.88Å; L2823-E2831 HydrophobicContact CD1-CB 3.98Å; L2823-E2831 HydrophobicContact CD1-CG 4.09Å; L2823-E2831 HydrophobicContact CD2-CB 4.26Å
2824L67.8Low70.3Confident123.5 Ų123.570.6 Ų70.665%0.64740%0.401SS*.THydrogen-bonded Turntrans-79.2-30.2177.9-91.9138000112.3R2724 D2822R2724-L2824 PolarHBondContact NH2-O 3.01Å; D2822-L2824 PolarHBondContact O-N 3.07Å; D2822-L2824 VanDerWaalsContact O-N 3.09Å; D2822-L2824 WeakPolarHBondContact OD1-CB 3.43Å; D2822-L2824 PolarHBondContact OD1-N 3.29Å; D2822-L2824 VanDerWaalsContact OD1-N 3.16Å
2825T68.7Low71.4Confident104 Ų10468.5 Ų68.564%0.63839%0.386SS*.THydrogen-bonded Turntrans-100.9-39.4-175.558.20000113.1D2822 L2827D2822-T2825 VanDerWaalsContact CB-OG1 3.24Å; D2822-T2825 WeakPolarHBondContact CB-OG1 3.38Å; D2822-T2825 VanDerWaalsContact CG-OG1 3.3Å; D2822-T2825 PolarHBondContact O-N 3.07Å; D2822-T2825 VanDerWaalsContact O-N 3.12Å; D2822-T2825 PolarHBondContact O-OG1 2.81Å; D2822-T2825 WeakPolarHBondContact OD2-CG2 3.27Å; D2822-T2825 PolarHBondContact OD2-OG1 3.03Å; T2825-L2827 PolarHBondContact O-N 2.91Å
2826D76.9Confident73.1Confident47.5 Ų47.556.6 Ų56.625%0.25434%0.342SS..  trans-93.894-178.8-172.4-6.7000110.1K2804 D2822 T2828 L2829K2804-D2826 IonicContact NZ-OD2 3.98Å; K2804-D2826 PolarHBondContact NZ-OD2 3.3Å; D2822-D2826 PolarHBondContact O-N 3.03Å; D2826-T2828 VanDerWaalsContact CG-OG1 3.29Å; D2826-T2828 PolarHBondContact O-N 2.88Å; D2826-T2828 VanDerWaalsContact OD1-CB 3.28Å; D2826-T2828 WeakPolarHBondContact OD1-CB 3.32Å; D2826-T2828 WeakPolarHBondContact OD1-CG2 3.22Å; D2826-T2828 PolarHBondContact OD1-N 3.28Å; D2826-T2828 VanDerWaalsContact OD1-N 3.09Å; D2826-T2828 PolarHBondContact OD1-OG1 2.91Å; D2826-T2828 PolarHBondContact OD2-OG1 3Å; D2826-L2829 HydrophobicContact CB-CD1 3.79Å; D2826-L2829 HydrophobicContact CB-CG 3.96Å; D2826-L2829 WeakPolarHBondContact O-CA 3.03Å; D2826-L2829 VanDerWaalsContact O-CB 3.29Å; D2826-L2829 WeakPolarHBondContact O-CB 3.15Å; D2826-L2829 PolarHBondContact O-N 2.84Å; D2826-L2829 VanDerWaalsContact O-N 3.13Å; D2826-L2829 WeakPolarHBondContact OD2-CD1 3.44Å; D2826-L2829 WeakPolarHBondContact OD2-CG 3.48Å
2827L81.1Confident74.4Confident55 Ų5558.8 Ų58.829%0.28834%0.338SS..THydrogen-bonded Turntrans-68.7-7.5179.1-71170.1000113.9L2721 F2722 R2724 T2825 L2829L2721-L2827 CarbonylContact C-O 3.58Å; L2721-L2827 WeakPolarHBondContact CA-O 3.46Å; L2721-L2827 HydrophobicContact CB-CB 4.16Å; L2721-L2827 HydrophobicContact CD1-CB 4.36Å; L2721-L2827 HydrophobicContact CD1-CD1 3.97Å; L2721-L2827 HydrophobicContact CD2-CB 3.84Å; L2721-L2827 HydrophobicContact CG-CB 4.18Å; F2722-L2827 PolarHBondContact N-O 2.83Å; R2724-L2827 HydrophobicContact CG-CD2 4.04Å; R2724-L2827 VanDerWaalsContact NH2-CD2 3.25Å; T2825-L2827 PolarHBondContact O-N 2.91Å; L2827-L2829 VanDerWaalsContact C-N 3.28Å; L2827-L2829 PolarHBondContact O-N 3.18Å
2828T84Confident76.1Confident2 Ų253.9 Ų53.91%0.01230%0.304CS..THydrogen-bonded Turntrans-77.5-11.4169.6740000111.9E2719 P2720 L2721 F2722 K2804 A2805 D2826E2719-T2828 HydrophobicContact CB-CG2 3.96Å; E2719-T2828 HydrophobicContact CG-CG2 3.46Å; E2719-T2828 VanDerWaalsContact CG-CG2 3.46Å; E2719-T2828 WeakPolarHBondContact OE1-CG2 3.22Å; E2719-T2828 WeakPolarHBondContact OE2-CG2 3.34Å; P2720-T2828 WeakPolarHBondContact O-CG2 3.49Å; L2721-T2828 HydrophobicContact CD2-CG2 3.98Å; F2722-T2828 WeakPolarHBondContact CD2-O 3.19Å; F2722-T2828 WeakPolarHBondContact CE2-O 3.21Å; K2804-T2828 CarbonylContact C-O 3.53Å; K2804-T2828 VanDerWaalsContact CA-O 3.31Å; K2804-T2828 WeakPolarHBondContact CA-O 3.39Å; K2804-T2828 PolarHBondContact NZ-OG1 3.04Å; A2805-T2828 PolarHBondContact N-O 3.34Å; A2805-T2828 WeakPolarHBondContact O-CB 3.44Å; D2826-T2828 VanDerWaalsContact CG-OG1 3.29Å; D2826-T2828 PolarHBondContact O-N 2.88Å; D2826-T2828 VanDerWaalsContact OD1-CB 3.28Å; D2826-T2828 WeakPolarHBondContact OD1-CB 3.32Å; D2826-T2828 WeakPolarHBondContact OD1-CG2 3.22Å; D2826-T2828 PolarHBondContact OD1-N 3.28Å; D2826-T2828 VanDerWaalsContact OD1-N 3.09Å; D2826-T2828 PolarHBondContact OD1-OG1 2.91Å; D2826-T2828 PolarHBondContact OD2-OG1 3Å
2829L86.4Confident78Confident8 Ų854.9 Ų54.94%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-99.6140.1178-54.7178.2000110.8A2769 I2802 V2803 K2804 L2821 L2823 D2826 L2827A2769-L2829 HydrophobicContact CB-CD2 4.08Å; I2802-L2829 HydrophobicContact CG2-CB 3.85Å; I2802-L2829 HydrophobicContact CG2-CD1 4.25Å; I2802-L2829 HydrophobicContact CG2-CD2 3.97Å; I2802-L2829 HydrophobicContact CG2-CG 4.24Å; V2803-L2829 CarbonylContact O-C 3.54Å; V2803-L2829 VanDerWaalsContact O-CA 3.24Å; V2803-L2829 WeakPolarHBondContact O-CA 3.28Å; K2804-L2829 HydrophobicContact CB-CD2 3.59Å; K2804-L2829 VanDerWaalsContact CB-CD2 3.45Å; K2804-L2829 HydrophobicContact CD-CD2 4.08Å; K2804-L2829 HydrophobicContact CG-CD2 3.83Å; L2821-L2829 HydrophobicContact CB-CD1 4.04Å; L2821-L2829 HydrophobicContact CD2-CD1 3.7Å; L2821-L2829 HydrophobicContact CD2-CD2 4.2Å; L2821-L2829 HydrophobicContact CG-CD1 4.26Å; L2823-L2829 HydrophobicContact CD2-CB 3.88Å; D2826-L2829 HydrophobicContact CB-CD1 3.79Å; D2826-L2829 HydrophobicContact CB-CG 3.96Å; D2826-L2829 WeakPolarHBondContact O-CA 3.03Å; D2826-L2829 VanDerWaalsContact O-CB 3.29Å; D2826-L2829 WeakPolarHBondContact O-CB 3.15Å; D2826-L2829 PolarHBondContact O-N 2.84Å; D2826-L2829 VanDerWaalsContact O-N 3.13Å; D2826-L2829 WeakPolarHBondContact OD2-CD1 3.44Å; D2826-L2829 WeakPolarHBondContact OD2-CG 3.48Å; L2827-L2829 VanDerWaalsContact C-N 3.28Å; L2827-L2829 PolarHBondContact O-N 3.18Å
2830Q85.8Confident79.5Confident22.5 Ų22.550.9 Ų50.911%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-133.5130.2173.4179.259.373.100109.1F2722 Q2731 V2803 V2832F2722-Q2830 HydrophobicContact CB-CB 4.35Å; F2722-Q2830 HydrophobicContact CD1-CB 3.85Å; F2722-Q2830 HydrophobicContact CD1-CG 4.11Å; F2722-Q2830 HydrophobicContact CD2-CB 3.52Å; F2722-Q2830 VanDerWaalsContact CD2-CB 3.46Å; F2722-Q2830 HydrophobicContact CE1-CB 3.87Å; F2722-Q2830 HydrophobicContact CE1-CG 4.22Å; F2722-Q2830 HydrophobicContact CE2-CB 3.53Å; F2722-Q2830 HydrophobicContact CG-CB 3.66Å; F2722-Q2830 HydrophobicContact CG-CG 4.29Å; F2722-Q2830 HydrophobicContact CZ-CB 3.7Å; F2722-Q2830 HydrophobicContact CZ-CG 4.37Å; Q2731-Q2830 PolarHBondContact O-NE2 3.03Å; V2803-Q2830 PolarHBondContact N-O 2.79Å; V2803-Q2830 PolarHBondContact O-N 3.04Å; Q2830-V2832 PolarHBondContact O-N 2.7Å
2831E86.9Confident80.9Confident36 Ų3649 Ų4917%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-73.4128.3169.3-169.7-176.2179.200109Y2732 Q2733 L2823 R2833Y2732-E2831 CarbonylContact C-O 3.52Å; Y2732-E2831 VanDerWaalsContact CA-O 3.26Å; Y2732-E2831 WeakPolarHBondContact CA-O 3.19Å; Y2732-E2831 WeakPolarHBondContact CB-O 3.39Å; Q2733-E2831 PolarHBondContact N-O 3.32Å; L2823-E2831 HydrophobicContact CD1-CB 3.98Å; L2823-E2831 HydrophobicContact CD1-CG 4.09Å; L2823-E2831 HydrophobicContact CD2-CB 4.26Å; E2831-R2833 HydrophobicContact CG-CG 4.38Å; E2831-R2833 IonicContact OE1-CZ 3.71Å; E2831-R2833 VanDerWaalsContact OE1-CZ 3.26Å; E2831-R2833 IonicContact OE1-NE 2.91Å; E2831-R2833 PolarHBondContact OE1-NE 2.73Å; E2831-R2833 IonicContact OE1-NH2 3.41Å; E2831-R2833 PolarHBondContact OE1-NH2 3.43Å; E2831-R2833 IonicContact OE2-CZ 3.81Å; E2831-R2833 IonicContact OE2-NE 3.04Å; E2831-R2833 IonicContact OE2-NH2 3.14Å; E2831-R2833 PolarHBondContact OE2-NH2 2.8Å
2832V87.5Confident81.8Confident0 Ų048.4 Ų48.40%025%0.249CC..EExtended strand (participates in β ladder)trans-115.4127.7171.6-179.20000107.5Q2733 L2735 V2750 S2800 F2801 V2803 Q2830Q2733-V2832 HydrophobicContact CB-CG2 4.35Å; Q2733-V2832 CarbonylContact O-C 3.53Å; Q2733-V2832 WeakPolarHBondContact O-CA 3.11Å; L2735-V2832 HydrophobicContact CD1-CG1 4Å; L2735-V2832 HydrophobicContact CG-CG1 4.38Å; V2750-V2832 HydrophobicContact CG1-CG2 4.43Å; V2750-V2832 HydrophobicContact CG2-CG2 4.14Å; S2800-V2832 WeakPolarHBondContact CA-O 3.47Å; F2801-V2832 HydrophobicContact CD2-CB 4.19Å; F2801-V2832 HydrophobicContact CE2-CB 3.74Å; F2801-V2832 HydrophobicContact CE2-CG1 3.84Å; F2801-V2832 HydrophobicContact CE2-CG2 4.23Å; F2801-V2832 HydrophobicContact CZ-CB 3.83Å; F2801-V2832 HydrophobicContact CZ-CG1 3.91Å; F2801-V2832 PolarHBondContact N-O 2.98Å; F2801-V2832 PolarHBondContact O-N 3.27Å; V2803-V2832 HydrophobicContact CB-CG2 4.36Å; V2803-V2832 HydrophobicContact CG2-CB 4.3Å; V2803-V2832 HydrophobicContact CG2-CG2 3.69Å; Q2830-V2832 PolarHBondContact O-N 2.7Å
2833R89.5Confident82.8Confident83.5 Ų83.547.4 Ų47.432%0.31525%0.246SC..EExtended strand (participates in β ladder)trans-112.9127.8176.4-66.6-171.6-177.9-174.80.9110Y2732 Q2733 L2734 L2735 T2798 F2799 E2831Y2732-R2833 HydrophobicContact CD2-CB 4.12Å; Y2732-R2833 HydrophobicContact CD2-CG 4.01Å; Y2732-R2833 HydrophobicContact CE2-CB 4.4Å; Y2732-R2833 HydrophobicContact CE2-CG 4.48Å; Y2732-R2833 HydrophobicContact CG-CB 4.49Å; Y2732-R2833 HydrophobicContact CG-CG 4.11Å; Q2733-R2833 PolarHBondContact O-N 3.1Å; L2734-R2833 WeakPolarHBondContact CA-O 3.45Å; L2734-R2833 HydrophobicContact CD1-CB 4.33Å; L2735-R2833 PolarHBondContact N-O 3.04Å; T2798-R2833 HydrophobicContact CG2-CB 4.28Å; F2799-R2833 CarbonylContact O-C 3.42Å; F2799-R2833 VanDerWaalsContact O-CA 3.31Å; F2799-R2833 WeakPolarHBondContact O-CA 3.34Å; E2831-R2833 HydrophobicContact CG-CG 4.38Å; E2831-R2833 IonicContact OE1-CZ 3.71Å; E2831-R2833 VanDerWaalsContact OE1-CZ 3.26Å; E2831-R2833 IonicContact OE1-NE 2.91Å; E2831-R2833 PolarHBondContact OE1-NE 2.73Å; E2831-R2833 IonicContact OE1-NH2 3.41Å; E2831-R2833 PolarHBondContact OE1-NH2 3.43Å; E2831-R2833 IonicContact OE2-CZ 3.81Å; E2831-R2833 IonicContact OE2-NE 3.04Å; E2831-R2833 IonicContact OE2-NH2 3.14Å; E2831-R2833 PolarHBondContact OE2-NH2 2.8Å
2834V89Confident83.8Confident0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-105.6118.3171.1-177.60000108L2735 V2737 V2747 F2777 L2785 T2798 F2799 F2801L2735-V2834 HydrophobicContact CB-CG2 4.46Å; L2735-V2834 CarbonylContact O-C 3.57Å; L2735-V2834 VanDerWaalsContact O-CA 3.27Å; L2735-V2834 WeakPolarHBondContact O-CA 3.17Å; V2737-V2834 HydrophobicContact CG1-CG1 3.77Å; V2747-V2834 HydrophobicContact CG1-CB 4.47Å; V2747-V2834 HydrophobicContact CG1-CG1 3.79Å; V2747-V2834 HydrophobicContact CG1-CG2 3.93Å; F2777-V2834 HydrophobicContact CE1-CB 4.3Å; F2777-V2834 HydrophobicContact CE1-CG1 3.98Å; F2777-V2834 HydrophobicContact CE1-CG2 4.09Å; F2777-V2834 HydrophobicContact CZ-CB 3.95Å; F2777-V2834 HydrophobicContact CZ-CG1 3.92Å; F2777-V2834 HydrophobicContact CZ-CG2 4.06Å; L2785-V2834 HydrophobicContact CD2-CG2 3.79Å; T2798-V2834 CarbonylContact C-O 3.54Å; T2798-V2834 WeakPolarHBondContact CA-O 3.29Å; F2799-V2834 HydrophobicContact CB-CB 4.44Å; F2799-V2834 PolarHBondContact N-O 2.7Å; F2799-V2834 PolarHBondContact O-N 2.97Å; F2801-V2834 HydrophobicContact CE1-CG2 3.8Å; F2801-V2834 HydrophobicContact CZ-CG2 3.84Å
2835V88.6Confident84.8Confident48 Ų4846.8 Ų46.829%0.29123%0.232SC..EExtended strand (participates in β ladder)trans-100.7132.2174.6173.50000108.9L2734 L2735 T2736 V2737 T2798L2734-V2835 HydrophobicContact CD1-CB 4.34Å; L2734-V2835 HydrophobicContact CD1-CG2 3.59Å; L2734-V2835 VanDerWaalsContact CD1-CG2 3.48Å; L2735-V2835 PolarHBondContact O-N 2.78Å; T2736-V2835 WeakPolarHBondContact CA-O 3.43Å; T2736-V2835 HydrophobicContact CG2-CB 4.46Å; V2737-V2835 PolarHBondContact N-O 2.88Å; V2737-V2835 VanDerWaalsContact N-O 3.14Å; T2798-V2835 HydrophobicContact CG2-CG2 4.05Å
2836L88.4Confident85.8Confident6.5 Ų6.542.6 Ų42.63%0.03421%0.205CC..EExtended strand (participates in β ladder)trans-80.6135.4174.5-64.3-177.7000110.8V2737 E2739 L2791 R2793 A2797 F2799V2737-L2836 HydrophobicContact CG1-CD2 3.67Å; V2737-L2836 CarbonylContact O-C 3.58Å; V2737-L2836 VanDerWaalsContact O-CA 3.25Å; V2737-L2836 WeakPolarHBondContact O-CA 3.38Å; E2739-L2836 HydrophobicContact CB-CB 4.41Å; E2739-L2836 HydrophobicContact CB-CD1 4.27Å; L2791-L2836 HydrophobicContact CB-CD1 3.98Å; L2791-L2836 HydrophobicContact CB-CD2 3.95Å; L2791-L2836 HydrophobicContact CD1-CD2 4.12Å; R2793-L2836 HydrophobicContact CB-CB 4.06Å; R2793-L2836 HydrophobicContact CB-CD1 4.16Å; R2793-L2836 HydrophobicContact CG-CB 4.05Å; A2797-L2836 PolarHBondContact O-N 3.22Å; F2799-L2836 HydrophobicContact CE2-CD1 3.89Å; F2799-L2836 HydrophobicContact CE2-CD2 4.2Å; F2799-L2836 HydrophobicContact CE2-CG 4.11Å
2837E83.9Confident86.1Confident94.5 Ų94.543.8 Ų43.844%0.44221%0.214SC..EExtended strand (participates in β ladder)trans-86.8131.1171.8-54.5178.9171.800109.9T2736 V2737 E2739T2736-E2837 WeakPolarHBondContact CB-OE1 3.26Å; T2736-E2837 PolarHBondContact OG1-OE1 3Å; V2737-E2837 PolarHBondContact O-N 3.24Å; E2739-E2837 PolarHBondContact N-O 3.15Å; E2739-E2837 VanDerWaalsContact N-O 3.14Å
2838D85.3Confident86.1Confident38 Ų3845.7 Ų45.720%0.20322%0.22CC..PPolyproline II helixtrans-68.3133.3-173-176.171.4000113.8E2739 R2793 I2875 N2878E2739-D2838 VanDerWaalsContact OE1-CA 3.29Å; E2739-D2838 WeakPolarHBondContact OE1-CA 3.47Å; R2793-D2838 IonicContact CZ-OD1 3.17Å; R2793-D2838 IonicContact NE-OD1 3.57Å; R2793-D2838 PolarHBondContact NE-OD1 3.02Å; R2793-D2838 IonicContact NH2-OD1 3.14Å; R2793-D2838 PolarHBondContact NH2-OD1 2.87Å; D2838-I2875 HydrophobicContact CB-CB 4.34Å; D2838-I2875 PolarHBondContact OD1-N 2.67Å; D2838-I2875 VanDerWaalsContact OD1-N 3.09Å; D2838-I2875 PolarHBondContact OD2-N 3.05Å; D2838-I2875 VanDerWaalsContact OD2-N 3.15Å; D2838-N2878 VanDerWaalsContact OD2-CB 3.31Å; D2838-N2878 WeakPolarHBondContact OD2-CB 3.28Å; D2838-N2878 PolarHBondContact OD2-ND2 3.09Å
2839I84Confident86Confident74 Ų7449.5 Ų49.538%0.37925%0.251SS..  trans-118.6128.3171-62.6176.5000107.4P2738 E2739 D2841P2738-I2839 HydrophobicContact CB-CD1 4.15Å; E2739-I2839 HydrophobicContact CG-CB 4.07Å; E2739-I2839 HydrophobicContact CG-CD1 3.78Å; E2739-I2839 HydrophobicContact CG-CG1 3.86Å; E2739-I2839 VanDerWaalsContact O-CD1 3.22Å; E2739-I2839 WeakPolarHBondContact O-CD1 3.08Å; E2739-I2839 PolarHBondContact OE1-N 2.87Å; I2839-D2841 PolarHBondContact O-N 2.99Å
2840N82.5Confident85.9Confident31.5 Ų31.555.6 Ų55.617%0.16828%0.279CS..  trans-64.3101176.1179.6-65.2000111.1D2874 N2878 D2936 A2938 H2940N2840-D2874 WeakPolarHBondContact CA-OD2 3.43Å; N2840-D2874 WeakPolarHBondContact CB-OD2 3.45Å; N2840-D2874 PolarHBondContact ND2-OD2 2.94Å; N2840-N2878 HydrophobicContact CB-CB 3.91Å; N2840-N2878 PolarHBondContact ND2-O 3.4Å; N2840-D2936 VanDerWaalsContact CG-OD2 3.3Å; N2840-D2936 PolarHBondContact ND2-OD2 3.49Å; N2840-D2936 PolarHBondContact OD1-OD2 2.92Å; N2840-A2938 HydrophobicContact CB-CB 4.35Å; N2840-A2938 VanDerWaalsContact OD1-CB 3.27Å; N2840-A2938 WeakPolarHBondContact OD1-CB 3.15Å; N2840-H2940 PolarHBondContact OD1-CE1 2.72Å; N2840-H2940 PolarHBondContact OD1-ND1 3.49Å
2841D84Confident85.9Confident56.5 Ų56.555 Ų5530%0.30228%0.276SS..  trans-134.6-11.9-179101-40.4000113H2740 I2839 D2874H2740-D2841 IonicContact NE2-OD2 3.58Å; H2740-D2841 PolarHBondContact NE2-OD2 2.71Å; I2839-D2841 PolarHBondContact O-N 2.99Å; D2841-D2874 PolarHBondContact N-OD2 2.71Å
2842Q83.4Confident85.8Confident54 Ų5455 Ų5525%0.25228%0.279SS..PPolyproline II helixtrans-91.9137.5176.5-59.5-58-45.800112.2E2794 A2873 D2874E2794-Q2842 HydrophobicContact CG-CG 3.64Å; Q2842-A2873 HydrophobicContact CB-CB 4.2Å; Q2842-A2873 HydrophobicContact CG-CB 4.05Å; Q2842-D2874 WeakPolarHBondContact CB-OD1 3.26Å; Q2842-D2874 WeakPolarHBondContact CG-OD1 3.47Å; Q2842-D2874 PolarHBondContact N-OD1 2.91Å
2843P85.7Confident85.7Confident49 Ų4955.3 Ų55.332%0.31828%0.281SS..PPolyproline II helixtrans-84.2144172.632.7-33.9000111.5R2845 H2940P2843-R2845 PolarHBondContact O-N 3.49Å; P2843-R2845 VanDerWaalsContact O-N 3.11Å; P2843-H2940 HydrophobicContact CB-CB 3.85Å
2844P90.8Very high85.5Confident0.5 Ų0.552.1 Ų52.10%0.00327%0.274CS..PPolyproline II helixtrans-66.8128.5176.227.4-34.8000110.7L2871 D2872 V2881 A2934 D2936 D2942P2844-L2871 CarbonylContact C-O 3.52Å; P2844-L2871 WeakPolarHBondContact CA-O 3.38Å; P2844-D2872 HydrophobicContact CB-CB 4.25Å; P2844-D2872 WeakPolarHBondContact CB-OD2 3.16Å; P2844-D2872 WeakPolarHBondContact CD-OD2 3.15Å; P2844-V2881 HydrophobicContact CB-CB 4.43Å; P2844-V2881 HydrophobicContact CB-CG1 3.97Å; P2844-V2881 HydrophobicContact CB-CG2 3.81Å; P2844-V2881 HydrophobicContact CG-CG1 4.47Å; P2844-A2934 HydrophobicContact CB-CB 4.36Å; P2844-A2934 HydrophobicContact CG-CB 4.34Å; P2844-D2936 HydrophobicContact CG-CB 4.19Å; P2844-D2942 WeakPolarHBondContact O-CB 3.21Å
2845R87.8Confident85.3Confident172 Ų17252.2 Ų52.265%0.64927%0.274SS*.EExtended strand (participates in β ladder)trans-116.2131.2-176-73.9-176.4120.4-136-4113P2843 A2870 L2871 D2942P2843-R2845 PolarHBondContact O-N 3.49Å; P2843-R2845 VanDerWaalsContact O-N 3.11Å; R2845-A2870 CarbonylContact O-C 3.54Å; R2845-A2870 WeakPolarHBondContact O-CA 3.42Å; R2845-L2871 PolarHBondContact N-O 2.87Å; R2845-L2871 PolarHBondContact O-N 2.86Å; R2845-D2942 WeakPolarHBondContact CA-OD2 3.29Å
2846F90.2Very high85Confident15.5 Ų15.550.7 Ų50.77%0.06827%0.267CS..EExtended strand (participates in β ladder)trans-65.9139.7172.5-75.4-74.2000112.2K2848 Y2851 V2868 A2870 Y2883 I2932 A2934 D2942 A2944F2846-K2848 VanDerWaalsContact C-N 3.33Å; F2846-K2848 WeakPolarHBondContact CB-O 3.38Å; F2846-K2848 PolarHBondContact O-N 3.38Å; F2846-Y2851 HydrophobicContact CB-CE2 4.34Å; F2846-Y2851 HydrophobicContact CD1-CE2 4.16Å; F2846-Y2851 HydrophobicContact CG-CE2 4.4Å; F2846-V2868 HydrophobicContact CE1-CB 4.31Å; F2846-V2868 HydrophobicContact CE1-CG2 4.07Å; F2846-A2870 HydrophobicContact CD1-CB 3.74Å; F2846-A2870 HydrophobicContact CE1-CB 3.98Å; F2846-A2870 HydrophobicContact CG-CB 4.09Å; F2846-A2870 HydrophobicContact CZ-CB 4.5Å; F2846-Y2883 AromaticContact CE1-CD1 3.94Å; F2846-Y2883 HydrophobicContact CE1-CD1 3.98Å; F2846-Y2883 AromaticContact CE1-CE1 3.84Å; F2846-Y2883 HydrophobicContact CE1-CE1 3.84Å; F2846-Y2883 HydrophobicContact CZ-CD1 4.28Å; F2846-Y2883 HydrophobicContact CZ-CE1 4.4Å; F2846-I2932 HydrophobicContact CD1-CD1 4.31Å; F2846-I2932 HydrophobicContact CE1-CD1 3.55Å; F2846-I2932 VanDerWaalsContact CE1-CD1 3.49Å; F2846-I2932 HydrophobicContact CE1-CG1 4.42Å; F2846-I2932 HydrophobicContact CE2-CD1 4.37Å; F2846-I2932 HydrophobicContact CE2-CG1 4.3Å; F2846-I2932 HydrophobicContact CZ-CB 4.46Å; F2846-I2932 HydrophobicContact CZ-CD1 3.58Å; F2846-I2932 HydrophobicContact CZ-CG1 3.96Å; F2846-A2934 HydrophobicContact CD2-CB 4.33Å; F2846-A2934 HydrophobicContact CE1-CB 4.13Å; F2846-A2934 HydrophobicContact CE2-CB 3.63Å; F2846-A2934 HydrophobicContact CZ-CB 3.51Å; F2846-A2934 VanDerWaalsContact CZ-CB 3.49Å; F2846-D2942 HydrophobicContact CD2-CB 4.25Å; F2846-D2942 WeakPolarHBondContact CE2-O 3.24Å; F2846-D2942 PolarHBondContact N-OD2 3.11Å; F2846-A2944 HydrophobicContact CB-CB 4.02Å; F2846-A2944 HydrophobicContact CD1-CB 4.2Å; F2846-A2944 HydrophobicContact CD2-CB 3.5Å; F2846-A2944 VanDerWaalsContact CD2-CB 3.41Å; F2846-A2944 HydrophobicContact CE2-CB 3.92Å; F2846-A2944 HydrophobicContact CG-CB 3.64Å; F2846-A2944 HydrophobicContact CZ-CB 4.44Å
2847T84.2Confident84.7Confident73.5 Ų73.552.5 Ų52.545%0.45128%0.278SS..SBendtrans-66.6-27.9177.155.20000113.2Y2851 L2869 L2871T2847-Y2851 PolarHBondContact OG1-OH 2.8Å; T2847-Y2851 VanDerWaalsContact OG1-OH 3.07Å; T2847-L2869 HydrophobicContact CG2-CB 4.27Å; T2847-L2869 HydrophobicContact CG2-CD2 4.18Å; T2847-L2869 HydrophobicContact CG2-CG 4.19Å; T2847-L2869 WeakPolarHBondContact CG2-O 3.44Å; T2847-L2869 PolarHBondContact N-O 3.18Å; T2847-L2869 PolarHBondContact OG1-O 2.95Å; T2847-L2869 VanDerWaalsContact OG1-O 3.07Å; T2847-L2871 HydrophobicContact CG2-CD1 3.96Å; T2847-L2871 HydrophobicContact CG2-CG 4.12Å
2848K79.9Confident84.5Confident95 Ų9553.1 Ų53.141%0.41329%0.285SS..  trans-132139.2175.1-55.9172.1-172.2164.90108.9F2846 Y2851 E2973F2846-K2848 VanDerWaalsContact C-N 3.33Å; F2846-K2848 WeakPolarHBondContact CB-O 3.38Å; F2846-K2848 PolarHBondContact O-N 3.38Å; K2848-Y2851 HydrophobicContact CB-CD1 4.27Å; K2848-Y2851 HydrophobicContact CB-CD2 4.46Å; K2848-Y2851 HydrophobicContact CB-CE1 3.86Å; K2848-Y2851 HydrophobicContact CB-CE2 4.1Å; K2848-Y2851 HydrophobicContact CD-CD1 4.06Å; K2848-Y2851 HydrophobicContact CD-CE1 3.87Å; K2848-Y2851 HydrophobicContact CG-CE1 4.12Å; K2848-Y2851 PolarHBondContact N-OH 2.98Å; K2848-Y2851 WeakPolarHBondContact O-CE2 3.41Å; K2848-E2973 IonicContact NZ-OE1 3.89Å; K2848-E2973 PolarHBondContact NZ-OE1 2.93Å
2849A81.3Confident84.2Confident80 Ų8052 Ų5266%0.66128%0.281SS*.SBendtrans-75.3-29.8176.100000112.5A2944 I2945A2849-A2944 WeakPolarHBondContact O-CA 2.96Å; A2849-A2944 WeakPolarHBondContact O-CB 3.19Å; A2849-I2945 PolarHBondContact O-N 3.18Å; A2849-I2945 VanDerWaalsContact O-N 3.13Å
2850E84.6Confident84Confident138 Ų13856.2 Ų56.265%0.64530%0.296SS*.EExtended strand (participates in β ladder)trans-129.2131.8176.3-67.9177.1170.700108.9I2945E2850-I2945 CarbonylContact C-O 3.55Å; E2850-I2945 WeakPolarHBondContact CA-O 3.28Å
2851Y85.7Confident84.1Confident10 Ų1058.6 Ų58.64%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-113.7149.5171.8-63.3-94.7000109F2846 T2847 K2848 I2866 V2868 L2869 A2944 I2945 I2946 G2947F2846-Y2851 HydrophobicContact CB-CE2 4.34Å; F2846-Y2851 HydrophobicContact CD1-CE2 4.16Å; F2846-Y2851 HydrophobicContact CG-CE2 4.4Å; T2847-Y2851 PolarHBondContact OG1-OH 2.8Å; T2847-Y2851 VanDerWaalsContact OG1-OH 3.07Å; K2848-Y2851 HydrophobicContact CB-CD1 4.27Å; K2848-Y2851 HydrophobicContact CB-CD2 4.46Å; K2848-Y2851 HydrophobicContact CB-CE1 3.86Å; K2848-Y2851 HydrophobicContact CB-CE2 4.1Å; K2848-Y2851 HydrophobicContact CD-CD1 4.06Å; K2848-Y2851 HydrophobicContact CD-CE1 3.87Å; K2848-Y2851 HydrophobicContact CG-CE1 4.12Å; K2848-Y2851 PolarHBondContact N-OH 2.98Å; K2848-Y2851 WeakPolarHBondContact O-CE2 3.41Å; Y2851-I2866 HydrophobicContact CD1-CD1 4.3Å; Y2851-V2868 HydrophobicContact CD1-CG1 3.92Å; Y2851-V2868 HydrophobicContact CD2-CG1 3.85Å; Y2851-V2868 HydrophobicContact CE1-CB 4.24Å; Y2851-V2868 HydrophobicContact CE1-CG1 4.01Å; Y2851-V2868 HydrophobicContact CE2-CB 4.19Å; Y2851-V2868 HydrophobicContact CE2-CG1 3.94Å; Y2851-V2868 HydrophobicContact CG-CG1 3.85Å; Y2851-L2869 PolarHBondContact OH-O 3.05Å; Y2851-L2869 VanDerWaalsContact OH-O 3.06Å; Y2851-A2944 HydrophobicContact CD2-CB 4.31Å; Y2851-A2944 HydrophobicContact CE2-CB 3.99Å; Y2851-I2945 PolarHBondContact N-O 2.82Å; Y2851-I2946 CarbonylContact O-C 3.55Å; Y2851-I2946 VanDerWaalsContact O-CA 3.3Å; Y2851-I2946 WeakPolarHBondContact O-CA 3.16Å; Y2851-G2947 PolarHBondContact O-N 3.24Å
2852T85.6Confident84Confident35 Ų3558 Ų5822%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-137.7136.6178.545.80000111.3G2947 Y2949 I2986 N2988T2852-G2947 CarbonylContact C-O 3.45Å; T2852-G2947 VanDerWaalsContact CA-O 3.28Å; T2852-G2947 WeakPolarHBondContact CA-O 3.39Å; T2852-Y2949 HydrophobicContact CG2-CE2 3.99Å; T2852-I2986 HydrophobicContact CG2-CG2 4.36Å; T2852-I2986 WeakPolarHBondContact OG1-CG2 3.28Å; T2852-N2988 WeakPolarHBondContact CB-OD1 3.41Å; T2852-N2988 PolarHBondContact O-OD1 3.41Å; T2852-N2988 PolarHBondContact OG1-ND2 3.3Å; T2852-N2988 PolarHBondContact OG1-OD1 2.9Å
2853A85.3Confident84Confident6.5 Ų6.557.5 Ų57.55%0.05432%0.322CS..EExtended strand (participates in β ladder)trans-144.2159-17700000111.5I2866 G2947 I2948 Y2949A2853-I2866 HydrophobicContact CB-CB 4.06Å; A2853-I2866 HydrophobicContact CB-CD1 4.18Å; A2853-I2866 HydrophobicContact CB-CG2 4.25Å; A2853-G2947 PolarHBondContact N-O 3.17Å; A2853-I2948 CarbonylContact O-C 3.54Å; A2853-I2948 VanDerWaalsContact O-CA 3.28Å; A2853-I2948 WeakPolarHBondContact O-CA 3.44Å; A2853-Y2949 PolarHBondContact O-N 2.84Å
2854G84.6Confident84Confident16 Ų1661 Ų6117%0.16533%0.334CS..EExtended strand (participates in β ladder)trans-102.4145.2173.700000111.6Y2949G2854-Y2949 CarbonylContact C-O 3.48Å; G2854-Y2949 WeakPolarHBondContact CA-O 3.29Å
2855V86.2Confident83.7Confident1.5 Ų1.562.6 Ų62.61%0.00934%0.342CS..EExtended strand (participates in β ladder)trans-125.8123.2167.165.40000109.5A2859 L2865 T2916 F2920 I2948 Y2949 I2950 L2951V2855-A2859 HydrophobicContact CG2-CB 3.75Å; V2855-L2865 HydrophobicContact CB-CD2 3.89Å; V2855-L2865 HydrophobicContact CG2-CD2 3.83Å; V2855-T2916 HydrophobicContact CG2-CG2 4.07Å; V2855-F2920 HydrophobicContact CG1-CD1 3.8Å; V2855-F2920 HydrophobicContact CG1-CE1 3.99Å; V2855-F2920 HydrophobicContact CG1-CG 4.21Å; V2855-F2920 HydrophobicContact CG2-CD1 4.13Å; V2855-F2920 HydrophobicContact CG2-CD2 3.59Å; V2855-F2920 HydrophobicContact CG2-CE1 4.23Å; V2855-F2920 HydrophobicContact CG2-CE2 3.74Å; V2855-F2920 HydrophobicContact CG2-CG 3.82Å; V2855-F2920 HydrophobicContact CG2-CZ 4.06Å; V2855-I2948 HydrophobicContact CB-CG2 4.01Å; V2855-I2948 HydrophobicContact CG1-CG2 3.74Å; V2855-Y2949 PolarHBondContact N-O 3.12Å; V2855-I2950 HydrophobicContact CG1-CG1 4.15Å; V2855-I2950 CarbonylContact O-C 3.51Å; V2855-I2950 WeakPolarHBondContact O-CA 3.3Å; V2855-L2951 PolarHBondContact O-N 2.99Å
2856A82.1Confident83.6Confident17 Ų1756.1 Ų56.114%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-69.2145.7177.300000110.7D2858 A2859A2856-D2858 WeakPolarHBondContact CB-OD1 3.46Å; A2856-D2858 PolarHBondContact O-N 2.86Å; A2856-D2858 VanDerWaalsContact O-N 3.13Å; A2856-A2859 HydrophobicContact CB-CB 4.27Å; A2856-A2859 VanDerWaalsContact O-CB 3.23Å; A2856-A2859 WeakPolarHBondContact O-CB 3.25Å; A2856-A2859 PolarHBondContact O-N 3.21Å
2857T81.4Confident83.4Confident43.5 Ų43.561.5 Ų61.527%0.26735%0.345SS..THydrogen-bonded Turntrans-60.8-24178.644.60000113.9F2920 M2921 I2950 L2951 R2952T2857-F2920 CarbonylContact O-C 3.52Å; T2857-M2921 WeakPolarHBondContact O-CG 3.35Å; T2857-M2921 PolarHBondContact O-N 3.02Å; T2857-M2921 VanDerWaalsContact O-N 3.08Å; T2857-I2950 HydrophobicContact CG2-CG2 3.61Å; T2857-L2951 PolarHBondContact N-O 2.82Å; T2857-L2951 VanDerWaalsContact N-O 3.08Å; T2857-R2952 HydrophobicContact CG2-CG 4.24Å
2858D79.3Confident83.7Confident107.5 Ų107.558 Ų5858%0.57532%0.324SS*.THydrogen-bonded Turntrans-99.48.7178.266.9-32.3000113.5A2856 K2860A2856-D2858 WeakPolarHBondContact CB-OD1 3.46Å; A2856-D2858 PolarHBondContact O-N 2.86Å; A2856-D2858 VanDerWaalsContact O-N 3.13Å; D2858-K2860 PolarHBondContact O-N 3.06Å
2859A78.7Confident84.1Confident14.5 Ų14.557.8 Ų57.812%0.1233%0.327CS..PPolyproline II helixtrans-57131.2177.900000111.6V2855 A2856 F2920V2855-A2859 HydrophobicContact CG2-CB 3.75Å; A2856-A2859 HydrophobicContact CB-CB 4.27Å; A2856-A2859 VanDerWaalsContact O-CB 3.23Å; A2856-A2859 WeakPolarHBondContact O-CB 3.25Å; A2856-A2859 PolarHBondContact O-N 3.21Å; A2859-F2920 HydrophobicContact CB-CD2 4.31Å
2860K81.3Confident84.4Confident162.5 Ų162.554.1 Ų54.171%0.70730%0.297SS*.PPolyproline II helixtrans-78.2151.1179.8-64.2174.9-179.1171.80110.2D2858 G2862 S2863 T2916D2858-K2860 PolarHBondContact O-N 3.06Å; K2860-G2862 PolarHBondContact O-N 3.03Å; K2860-S2863 PolarHBondContact N-OG 3.49Å; K2860-S2863 WeakPolarHBondContact O-CB 3.35Å; K2860-S2863 PolarHBondContact O-N 3.12Å; K2860-S2863 VanDerWaalsContact O-N 3.15Å; K2860-S2863 PolarHBondContact O-OG 3.13Å; K2860-T2916 PolarHBondContact O-OG1 3.31Å
2861V83.6Confident84.6Confident83 Ų8352.5 Ų52.550%0.50329%0.292SS..THydrogen-bonded Turntrans-58.8135.2171.21800000109.6F2917 L2919V2861-F2917 WeakPolarHBondContact CG1-O 3.02Å; V2861-L2919 HydrophobicContact CG2-CD2 4.07Å; V2861-L2919 HydrophobicContact CG2-CG 4.19Å
2862G82.9Confident84.6Confident43.5 Ų43.553 Ų5345%0.44830%0.295SS..THydrogen-bonded Turntrans88.4-2.6-174.800000115.7K2860 E2864 T2916K2860-G2862 PolarHBondContact O-N 3.03Å; G2862-E2864 PolarHBondContact O-N 3.1Å; G2862-T2916 PolarHBondContact N-O 2.83Å; G2862-T2916 PolarHBondContact N-OG1 3.31Å; G2862-T2916 VanDerWaalsContact N-OG1 3.1Å
2863S82.8Confident84.5Confident43.5 Ų43.554.1 Ų54.130%0.30431%0.308SS..  trans-61.8133.6173.1-62.40000111.5K2860 R2915 T2916K2860-S2863 PolarHBondContact N-OG 3.49Å; K2860-S2863 WeakPolarHBondContact O-CB 3.35Å; K2860-S2863 PolarHBondContact O-N 3.12Å; K2860-S2863 VanDerWaalsContact O-N 3.15Å; K2860-S2863 PolarHBondContact O-OG 3.13Å; S2863-R2915 VanDerWaalsContact O-CA 3.26Å; S2863-R2915 WeakPolarHBondContact O-CA 3.43Å; S2863-T2916 PolarHBondContact N-OG1 2.7Å; S2863-T2916 PolarHBondContact O-N 3.07Å; S2863-T2916 PolarHBondContact O-OG1 3.13Å
2864E84.8Confident84.6Confident122 Ų12254.2 Ų54.257%0.5731%0.307SS*.EExtended strand (participates in β ladder)trans-79.8129.9176.6-50.6-165.2139.400109.8G2862 I2913 R2915G2862-E2864 PolarHBondContact O-N 3.1Å; E2864-I2913 HydrophobicContact CB-CG2 3.96Å; E2864-I2913 HydrophobicContact CG-CG2 4.09Å; E2864-R2915 HydrophobicContact CG-CG 4.19Å; E2864-R2915 IonicContact OE1-CZ 3.25Å; E2864-R2915 IonicContact OE1-NE 3.28Å; E2864-R2915 PolarHBondContact OE1-NE 2.94Å; E2864-R2915 VanDerWaalsContact OE1-NE 3.16Å; E2864-R2915 IonicContact OE1-NH2 3.28Å; E2864-R2915 PolarHBondContact OE1-NH2 3.04Å
2865L84.9Confident84.4Confident34 Ų3457.8 Ų57.818%0.17832%0.322CS..EExtended strand (participates in β ladder)trans-105.3-49.5-174-64.8172.8000112.5V2855 F2905 L2914 T2916 I2948V2855-L2865 HydrophobicContact CB-CD2 3.89Å; V2855-L2865 HydrophobicContact CG2-CD2 3.83Å; L2865-F2905 HydrophobicContact CD1-CD1 3.56Å; L2865-F2905 HydrophobicContact CD1-CE1 3.47Å; L2865-F2905 VanDerWaalsContact CD1-CE1 3.47Å; L2865-L2914 HydrophobicContact CD1-CD2 4.31Å; L2865-L2914 PolarHBondContact N-O 3.15Å; L2865-T2916 HydrophobicContact CD1-CG2 3.82Å; L2865-T2916 HydrophobicContact CD2-CG2 3.87Å; L2865-T2916 HydrophobicContact CG-CG2 3.93Å; L2865-I2948 HydrophobicContact CD1-CD1 4.33Å; L2865-I2948 HydrophobicContact CD1-CG2 4.42Å
2866I85.9Confident84Confident35.5 Ų35.559.5 Ų59.518%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-160.3145.7-176.5-170.4159000109.9Y2851 A2853 L2914 I2946Y2851-I2866 HydrophobicContact CD1-CD1 4.3Å; A2853-I2866 HydrophobicContact CB-CB 4.06Å; A2853-I2866 HydrophobicContact CB-CD1 4.18Å; A2853-I2866 HydrophobicContact CB-CG2 4.25Å; I2866-L2914 HydrophobicContact CG2-CB 4.07Å; I2866-L2914 HydrophobicContact CG2-CD2 4.39Å; I2866-L2914 PolarHBondContact O-N 3.36Å; I2866-I2946 HydrophobicContact CG2-CD1 4.33Å; I2866-I2946 HydrophobicContact CG2-CG2 4.07Å
2867Q87Confident83.9Confident128.5 Ų128.564.5 Ų64.560%0.636%0.364SS*.EExtended strand (participates in β ladder)trans-102.6128.1168.8-169.4174.52200109.3D2911 G2912 I2913Q2867-D2911 WeakPolarHBondContact CG-O 3.09Å; Q2867-D2911 PolarHBondContact NE2-O 2.97Å; Q2867-G2912 CarbonylContact C-O 3.46Å; Q2867-G2912 WeakPolarHBondContact CA-O 3.32Å; Q2867-I2913 HydrophobicContact CB-CG1 4.11Å; Q2867-I2913 HydrophobicContact CG-CG1 3.82Å
2868V89.2Confident83.8Confident1.5 Ų1.564.7 Ų64.71%0.00936%0.364CS..  trans-103.1145173.4-61.30000110F2846 Y2851 Y2883 M2907 G2912 I2932 I2946F2846-V2868 HydrophobicContact CE1-CB 4.31Å; F2846-V2868 HydrophobicContact CE1-CG2 4.07Å; Y2851-V2868 HydrophobicContact CD1-CG1 3.92Å; Y2851-V2868 HydrophobicContact CD2-CG1 3.85Å; Y2851-V2868 HydrophobicContact CE1-CB 4.24Å; Y2851-V2868 HydrophobicContact CE1-CG1 4.01Å; Y2851-V2868 HydrophobicContact CE2-CB 4.19Å; Y2851-V2868 HydrophobicContact CE2-CG1 3.94Å; Y2851-V2868 HydrophobicContact CG-CG1 3.85Å; V2868-Y2883 HydrophobicContact CG2-CD1 3.97Å; V2868-Y2883 HydrophobicContact CG2-CE1 4.14Å; V2868-M2907 HydrophobicContact CG1-CE 4.34Å; V2868-M2907 HydrophobicContact CG2-CE 3.52Å; V2868-M2907 VanDerWaalsContact CG2-CE 3.45Å; V2868-M2907 HydrophobicContact CG2-SD 4.26Å; V2868-G2912 WeakPolarHBondContact CG2-O 3.32Å; V2868-G2912 PolarHBondContact N-O 3.13Å; V2868-I2932 HydrophobicContact CB-CD1 4.06Å; V2868-I2932 HydrophobicContact CG1-CD1 3.87Å; V2868-I2932 HydrophobicContact CG2-CD1 3.78Å; V2868-I2946 HydrophobicContact CG1-CD1 3.82Å; V2868-I2946 HydrophobicContact CG1-CG1 4.3Å
2869L89Confident83.9Confident90 Ų9061.5 Ų61.547%0.47135%0.35SS..  trans-125.8122.6-179.8-175.864.2000109.8T2847 Y2851 L2871T2847-L2869 HydrophobicContact CG2-CB 4.27Å; T2847-L2869 HydrophobicContact CG2-CD2 4.18Å; T2847-L2869 HydrophobicContact CG2-CG 4.19Å; T2847-L2869 WeakPolarHBondContact CG2-O 3.44Å; T2847-L2869 PolarHBondContact N-O 3.18Å; T2847-L2869 PolarHBondContact OG1-O 2.95Å; T2847-L2869 VanDerWaalsContact OG1-O 3.07Å; Y2851-L2869 PolarHBondContact OH-O 3.05Å; Y2851-L2869 VanDerWaalsContact OH-O 3.06Å; L2869-L2871 HydrophobicContact CD1-CD2 4.21Å; L2869-L2871 HydrophobicContact CD2-CD2 4.06Å; L2869-L2871 HydrophobicContact CD2-CG 4.47Å; L2869-L2871 HydrophobicContact CG-CD2 4.05Å; L2869-L2871 HydrophobicContact CG-CG 4.39Å
2870A88.2Confident84.1Confident3.5 Ų3.564.6 Ų64.63%0.02936%0.364CS..EExtended strand (participates in β ladder)trans-111.4139.3163.200000109.5R2845 F2846 V2881 Y2883 A2934R2845-A2870 CarbonylContact O-C 3.54Å; R2845-A2870 WeakPolarHBondContact O-CA 3.42Å; F2846-A2870 HydrophobicContact CD1-CB 3.74Å; F2846-A2870 HydrophobicContact CE1-CB 3.98Å; F2846-A2870 HydrophobicContact CG-CB 4.09Å; F2846-A2870 HydrophobicContact CZ-CB 4.5Å; A2870-V2881 HydrophobicContact CB-CG1 4Å; A2870-Y2883 HydrophobicContact CB-CE1 3.91Å; A2870-Y2883 PolarHBondContact N-OH 3.31Å; A2870-Y2883 PolarHBondContact O-OH 3.12Å; A2870-A2934 HydrophobicContact CB-CB 3.55Å
2871L87.4Confident84.4Confident104.5 Ų104.557.8 Ų57.855%0.54734%0.336SS..EExtended strand (participates in β ladder)trans-113.3129.4-178-62.5175.4000108.7P2844 R2845 T2847 L2869P2844-L2871 CarbonylContact C-O 3.52Å; P2844-L2871 WeakPolarHBondContact CA-O 3.38Å; R2845-L2871 PolarHBondContact N-O 2.87Å; R2845-L2871 PolarHBondContact O-N 2.86Å; T2847-L2871 HydrophobicContact CG2-CD1 3.96Å; T2847-L2871 HydrophobicContact CG2-CG 4.12Å; L2869-L2871 HydrophobicContact CD1-CD2 4.21Å; L2869-L2871 HydrophobicContact CD2-CD2 4.06Å; L2869-L2871 HydrophobicContact CD2-CG 4.47Å; L2869-L2871 HydrophobicContact CG-CD2 4.05Å; L2869-L2871 HydrophobicContact CG-CG 4.39Å
2872D87.2Confident84.8Confident20.5 Ų20.557.6 Ų57.611%0.1133%0.328CS..  trans-101.6141167.5-156.3-38.9000108.5P2844 D2874 V2881P2844-D2872 HydrophobicContact CB-CB 4.25Å; P2844-D2872 WeakPolarHBondContact CB-OD2 3.16Å; P2844-D2872 WeakPolarHBondContact CD-OD2 3.15Å; D2872-D2874 PolarHBondContact OD1-N 3.18Å; D2872-V2881 HydrophobicContact CB-CG2 3.98Å
2873A82.3Confident85.2Confident58 Ų5856.6 Ų56.648%0.47931%0.311SS..  trans-93.5-7.9-175.200000113.3R2793 E2794 Q2842R2793-A2873 PolarHBondContact NH2-O 2.99Å; R2793-A2873 VanDerWaalsContact NH2-O 3.15Å; E2794-A2873 HydrophobicContact CG-CB 4Å; Q2842-A2873 HydrophobicContact CB-CB 4.2Å; Q2842-A2873 HydrophobicContact CG-CB 4.05Å
2874D87.8Confident85.6Confident8 Ų855.6 Ų55.64%0.04331%0.308CS..SBendtrans-60.6177.7168.2-69.2-6.9000112.4N2840 D2841 Q2842 D2872 N2878 S2879N2840-D2874 WeakPolarHBondContact CA-OD2 3.43Å; N2840-D2874 WeakPolarHBondContact CB-OD2 3.45Å; N2840-D2874 PolarHBondContact ND2-OD2 2.94Å; D2841-D2874 PolarHBondContact N-OD2 2.71Å; Q2842-D2874 WeakPolarHBondContact CB-OD1 3.26Å; Q2842-D2874 WeakPolarHBondContact CG-OD1 3.47Å; Q2842-D2874 PolarHBondContact N-OD1 2.91Å; D2872-D2874 PolarHBondContact OD1-N 3.18Å; D2874-N2878 HydrophobicContact CB-CB 3.67Å; D2874-N2878 WeakPolarHBondContact OD2-CB 3.18Å; D2874-S2879 VanDerWaalsContact O-CB 3.3Å; D2874-S2879 WeakPolarHBondContact O-CB 3.35Å
2875I79.8Confident85.9Confident91.5 Ų91.552.4 Ų52.447%0.46929%0.294SS..  trans-119.5142.8178.5-78.7173.5000113.3R2793 D2838 N2877 N2878R2793-I2875 VanDerWaalsContact CZ-CD1 3.47Å; D2838-I2875 HydrophobicContact CB-CB 4.34Å; D2838-I2875 PolarHBondContact OD1-N 2.67Å; D2838-I2875 VanDerWaalsContact OD1-N 3.09Å; D2838-I2875 PolarHBondContact OD2-N 3.05Å; D2838-I2875 VanDerWaalsContact OD2-N 3.15Å; I2875-N2877 PolarHBondContact O-N 2.92Å; I2875-N2878 PolarHBondContact O-N 3.21Å
2876G79.1Confident86.1Confident38 Ų3855.4 Ų55.439%0.39231%0.309SS..G310 helixtrans67.5-128.717100000112N2878 S2879G2876-N2878 PolarHBondContact O-N 3.22Å; G2876-S2879 PolarHBondContact O-N 2.84Å; G2876-S2879 VanDerWaalsContact O-N 3.08Å; G2876-S2879 PolarHBondContact O-OG 3.12Å
2877N78.8Confident86.3Confident121.5 Ų121.555.1 Ų55.165%0.6531%0.313SS*.THydrogen-bonded Turntrans-62.7-27.2-179.6-75-7.7000113I2875 S2879 L2880 L2937I2875-N2877 PolarHBondContact O-N 2.92Å; N2877-S2879 VanDerWaalsContact C-N 3.27Å; N2877-S2879 PolarHBondContact O-N 2.87Å; N2877-L2880 HydrophobicContact CB-CD1 4.38Å; N2877-L2880 WeakPolarHBondContact O-CB 3.26Å; N2877-L2880 PolarHBondContact O-N 2.7Å; N2877-L2937 HydrophobicContact CB-CD1 4.42Å; N2877-L2937 VanDerWaalsContact O-CD1 3.23Å; N2877-L2937 WeakPolarHBondContact O-CD1 3.19Å
2878N79.7Confident86.5Confident47.5 Ų47.549.6 Ų49.625%0.25429%0.287SS..THydrogen-bonded Turntrans-69.4-29.6179.6-67.5-13.3000111.3D2838 N2840 D2874 I2875 G2876 L2880D2838-N2878 VanDerWaalsContact OD2-CB 3.31Å; D2838-N2878 WeakPolarHBondContact OD2-CB 3.28Å; D2838-N2878 PolarHBondContact OD2-ND2 3.09Å; N2840-N2878 HydrophobicContact CB-CB 3.91Å; N2840-N2878 PolarHBondContact ND2-O 3.4Å; D2874-N2878 HydrophobicContact CB-CB 3.67Å; D2874-N2878 WeakPolarHBondContact OD2-CB 3.18Å; I2875-N2878 PolarHBondContact O-N 3.21Å; G2876-N2878 PolarHBondContact O-N 3.22Å; N2878-L2880 VanDerWaalsContact C-N 3.26Å; N2878-L2880 PolarHBondContact O-N 3.41Å
2879S81.5Confident86.5Confident41 Ų4151.7 Ų51.729%0.28730%0.297SS..THydrogen-bonded Turntrans-81.96178.170.70000116D2874 G2876 N2877 V2881D2874-S2879 VanDerWaalsContact O-CB 3.3Å; D2874-S2879 WeakPolarHBondContact O-CB 3.35Å; G2876-S2879 PolarHBondContact O-N 2.84Å; G2876-S2879 VanDerWaalsContact O-N 3.08Å; G2876-S2879 PolarHBondContact O-OG 3.12Å; N2877-S2879 VanDerWaalsContact C-N 3.27Å; N2877-S2879 PolarHBondContact O-N 2.87Å; S2879-V2881 PolarHBondContact O-N 2.9Å
2880L84Confident86.4Confident78.5 Ų78.547.6 Ų47.641%0.41128%0.275SS..  trans-77.2114.7-175.2-72.8174.4000111.9N2877 N2878 F2882N2877-L2880 HydrophobicContact CB-CD1 4.38Å; N2877-L2880 WeakPolarHBondContact O-CB 3.26Å; N2877-L2880 PolarHBondContact O-N 2.7Å; N2878-L2880 VanDerWaalsContact C-N 3.26Å; N2878-L2880 PolarHBondContact O-N 3.41Å; L2880-F2882 HydrophobicContact CB-CE2 4.29Å
2881V87.2Confident86.1Confident19.5 Ų19.550.1 Ų50.112%0.11829%0.285CS..  trans-100.1130.5-178-169.90000112.3P2844 A2870 D2872 S2879 Y2883 A2934P2844-V2881 HydrophobicContact CB-CB 4.43Å; P2844-V2881 HydrophobicContact CB-CG1 3.97Å; P2844-V2881 HydrophobicContact CB-CG2 3.81Å; P2844-V2881 HydrophobicContact CG-CG1 4.47Å; A2870-V2881 HydrophobicContact CB-CG1 4Å; D2872-V2881 HydrophobicContact CB-CG2 3.98Å; S2879-V2881 PolarHBondContact O-N 2.9Å; V2881-Y2883 HydrophobicContact CG1-CE1 4.26Å; V2881-Y2883 HydrophobicContact CG1-CE2 4.39Å; V2881-A2934 HydrophobicContact CG1-CB 3.67Å
2882F90.5Very high85.7Confident78.5 Ų78.550.6 Ų50.634%0.34428%0.28SS..EExtended strand (participates in β ladder)trans-110.4129.3175.1-61.5-80.1000111.8L2880 S2909 V2910 A2934 R2935 L2937L2880-F2882 HydrophobicContact CB-CE2 4.29Å; F2882-S2909 CarbonylContact C-O 3.54Å; F2882-S2909 VanDerWaalsContact CA-O 3.24Å; F2882-S2909 WeakPolarHBondContact CA-O 3.45Å; F2882-V2910 HydrophobicContact CD1-CG2 4.37Å; F2882-V2910 HydrophobicContact CE1-CG2 4.32Å; F2882-A2934 CarbonylContact O-C 3.55Å; F2882-A2934 WeakPolarHBondContact O-CA 3.27Å; F2882-R2935 PolarHBondContact N-O 3.11Å; F2882-R2935 PolarHBondContact O-N 3.01Å; F2882-L2937 HydrophobicContact CE2-CD2 3.66Å; F2882-L2937 HydrophobicContact CE2-CG 4.22Å; F2882-L2937 HydrophobicContact CZ-CD2 4.27Å
2883Y93.1Very high84.8Confident23.5 Ų23.551.6 Ų51.69%0.09229%0.291CS..EExtended strand (participates in β ladder)trans-99.4148.6-177.4-57.6-86000112.4F2846 V2868 A2870 V2881 S2909 V2933 A2934F2846-Y2883 AromaticContact CE1-CD1 3.94Å; F2846-Y2883 HydrophobicContact CE1-CD1 3.98Å; F2846-Y2883 AromaticContact CE1-CE1 3.84Å; F2846-Y2883 HydrophobicContact CE1-CE1 3.84Å; F2846-Y2883 HydrophobicContact CZ-CD1 4.28Å; F2846-Y2883 HydrophobicContact CZ-CE1 4.4Å; V2868-Y2883 HydrophobicContact CG2-CD1 3.97Å; V2868-Y2883 HydrophobicContact CG2-CE1 4.14Å; A2870-Y2883 HydrophobicContact CB-CE1 3.91Å; A2870-Y2883 PolarHBondContact N-OH 3.31Å; A2870-Y2883 PolarHBondContact O-OH 3.12Å; V2881-Y2883 HydrophobicContact CG1-CE1 4.26Å; V2881-Y2883 HydrophobicContact CG1-CE2 4.39Å; Y2883-S2909 PolarHBondContact N-O 3.09Å; Y2883-V2933 CarbonylContact C-O 3.57Å; Y2883-V2933 WeakPolarHBondContact CA-O 3.04Å; Y2883-A2934 HydrophobicContact CD1-CB 4.34Å; Y2883-A2934 HydrophobicContact CE1-CB 4.34Å
2884G90.3Very high83.8Confident22 Ų2257.1 Ų57.123%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-159.6161.4173.800000113.8I2932 V2933G2884-I2932 CarbonylContact O-C 3.54Å; G2884-I2932 VanDerWaalsContact O-CA 3.32Å; G2884-I2932 WeakPolarHBondContact O-CA 3.4Å; G2884-V2933 PolarHBondContact N-O 3.03Å; G2884-V2933 PolarHBondContact O-N 3.15Å
2885I91.2Very high82.4Confident55.5 Ų55.558.7 Ų58.729%0.28533%0.326SS..EExtended strand (participates in β ladder)trans-95.3130.8176.4-59.2171.1000109.2I2888 F2905 M2907 L2914 V2930 I2932I2885-I2888 HydrophobicContact CG2-CD1 4.31Å; I2885-I2888 HydrophobicContact CG2-CG1 3.91Å; I2885-F2905 HydrophobicContact CD1-CB 4.37Å; I2885-M2907 HydrophobicContact CD1-CB 3.96Å; I2885-M2907 HydrophobicContact CG1-CB 3.78Å; I2885-L2914 HydrophobicContact CD1-CD1 3.87Å; I2885-L2914 HydrophobicContact CG1-CD1 4.41Å; I2885-V2930 HydrophobicContact CD1-CG1 4.4Å; I2885-V2930 HydrophobicContact CG1-CG1 4.16Å; I2885-V2930 HydrophobicContact CG2-CG1 3.76Å; I2885-I2932 HydrophobicContact CG1-CG2 4.49Å
2886L89.5Confident81.6Confident95.5 Ų95.562.6 Ų62.650%0.535%0.348SS..EExtended strand (participates in β ladder)trans-90.8-48.8173.9-68.6174.4000112D2931 V2933 T2943L2886-D2931 HydrophobicContact CB-CB 4.04Å; L2886-D2931 PolarHBondContact N-O 2.82Å; L2886-V2933 HydrophobicContact CD1-CB 4.03Å; L2886-V2933 HydrophobicContact CD2-CB 4.27Å; L2886-V2933 HydrophobicContact CD2-CG1 4Å; L2886-V2933 HydrophobicContact CG-CB 4.02Å; L2886-V2933 HydrophobicContact CG-CG1 4.06Å; L2886-T2943 HydrophobicContact CD1-CG2 3.87Å
2887A89.7Confident81.1Confident30 Ų3067 Ų6725%0.24836%0.362CS..EExtended strand (participates in β ladder)trans-154.5157.9-176.900000111.7V2930 D2931A2887-V2930 WeakPolarHBondContact O-CA 3.21Å; A2887-D2931 HydrophobicContact CB-CB 4.34Å; A2887-D2931 PolarHBondContact N-O 2.82Å; A2887-D2931 PolarHBondContact O-N 3.19Å
2888I91.1Very high80.9Confident14 Ų1464.2 Ų64.27%0.07235%0.352CS..EExtended strand (participates in β ladder)trans-132.5118.9174-56.5166.6000108I2885 V2901 G2902 V2904 F2905 F2928 V2929 V2930I2885-I2888 HydrophobicContact CG2-CD1 4.31Å; I2885-I2888 HydrophobicContact CG2-CG1 3.91Å; I2888-V2901 HydrophobicContact CB-CG2 4.42Å; I2888-V2901 HydrophobicContact CG2-CG2 3.81Å; I2888-V2901 PolarHBondContact O-N 3.32Å; I2888-G2902 WeakPolarHBondContact CD1-O 3.44Å; I2888-V2904 HydrophobicContact CD1-CB 4.4Å; I2888-V2904 HydrophobicContact CG2-CG2 4.46Å; I2888-F2905 HydrophobicContact CD1-CB 4.39Å; I2888-F2905 HydrophobicContact CD1-CD2 4.1Å; I2888-F2905 HydrophobicContact CG2-CD2 4.16Å; I2888-F2905 HydrophobicContact CG2-CE2 4.2Å; I2888-F2928 HydrophobicContact CG2-CD1 4.1Å; I2888-V2929 WeakPolarHBondContact CA-O 3.33Å; I2888-V2930 HydrophobicContact CG1-CG1 4.16Å; I2888-V2930 HydrophobicContact CG1-CG2 4.29Å; I2888-V2930 HydrophobicContact CG2-CG2 4.3Å
2889H88.6Confident80.9Confident45 Ų4566.4 Ų66.421%0.20836%0.361CS..EExtended strand (participates in β ladder)trans-113.7129.1179.1-57.5-70000110.3F2891 D2900 F2928 V2929 D2931H2889-F2891 HydrophobicContact CB-CE2 3.75Å; H2889-F2891 HydrophobicContact CB-CZ 4.36Å; H2889-D2900 IonicContact CE1-OD1 3.38Å; H2889-D2900 PolarHBondContact CE1-OD1 2.99Å; H2889-D2900 IonicContact CG-OD1 3.33Å; H2889-D2900 IonicContact ND1-OD1 3.02Å; H2889-D2900 PolarHBondContact ND1-OD1 3.39Å; H2889-F2928 CarbonylContact O-C 3.31Å; H2889-F2928 VanDerWaalsContact O-CA 3.31Å; H2889-F2928 WeakPolarHBondContact O-CA 3.38Å; H2889-V2929 HydrophobicContact CB-CB 4.36Å; H2889-V2929 PolarHBondContact N-O 3.28Å; H2889-V2929 PolarHBondContact O-N 2.91Å; H2889-D2931 IonicContact NE2-OD2 3.64Å
2890Y87.2Confident80.9Confident4.5 Ų4.570.3 Ų70.32%0.01838%0.379CS..EExtended strand (participates in β ladder)trans-105.2129.5178175.1-122.7000111.7R2892 S2898 E2899 V2901 Y2923 S2924 F2928 I2950Y2890-R2892 HydrophobicContact CD1-CG 4.07Å; Y2890-R2892 HydrophobicContact CE1-CG 3.4Å; Y2890-R2892 VanDerWaalsContact CE1-CG 3.44Å; Y2890-S2898 WeakPolarHBondContact O-CA 3.3Å; Y2890-E2899 PolarHBondContact N-O 3.04Å; Y2890-E2899 PolarHBondContact O-N 3.15Å; Y2890-V2901 VanDerWaalsContact CB-CG2 3.49Å; Y2890-Y2923 HydrophobicContact CD1-CD1 4.32Å; Y2890-Y2923 HydrophobicContact CD2-CD1 4.43Å; Y2890-Y2923 AromaticContact CE1-CD1 3.93Å; Y2890-Y2923 HydrophobicContact CE1-CD1 3.93Å; Y2890-Y2923 HydrophobicContact CE2-CD1 4.07Å; Y2890-Y2923 AromaticContact CZ-CD1 3.81Å; Y2890-S2924 PolarHBondContact OH-N 3.05Å; Y2890-S2924 VanDerWaalsContact OH-N 3.1Å; Y2890-S2924 PolarHBondContact OH-O 3.07Å; Y2890-S2924 PolarHBondContact OH-OG 3.43Å; Y2890-F2928 AromaticContact CD2-CD1 3.72Å; Y2890-F2928 HydrophobicContact CD2-CD1 3.72Å; Y2890-F2928 HydrophobicContact CD2-CD2 4.33Å; Y2890-F2928 AromaticContact CD2-CE1 3.46Å; Y2890-F2928 HydrophobicContact CD2-CE1 3.46Å; Y2890-F2928 HydrophobicContact CD2-CE2 4.11Å; Y2890-F2928 HydrophobicContact CD2-CG 4.15Å; Y2890-F2928 AromaticContact CD2-CZ 3.67Å; Y2890-F2928 HydrophobicContact CD2-CZ 3.67Å; Y2890-F2928 HydrophobicContact CE2-CE1 4.28Å; Y2890-F2928 HydrophobicContact CE2-CE2 4.33Å; Y2890-F2928 AromaticContact CE2-CZ 3.97Å; Y2890-F2928 HydrophobicContact CE2-CZ 4.04Å; Y2890-F2928 HydrophobicContact CG-CD1 4.1Å; Y2890-F2928 AromaticContact CG-CE1 3.78Å; Y2890-F2928 HydrophobicContact CG-CE1 3.78Å; Y2890-F2928 HydrophobicContact CG-CZ 4.35Å; Y2890-I2950 HydrophobicContact CE2-CD1 3.88Å
2891F82.9Confident80.7Confident54.5 Ų54.568.1 Ų68.124%0.23937%0.368CS..EExtended strand (participates in β ladder)trans-116.8120.7-179.3-65.4-95.9000110.5H2889 S2898 G2926 Y2927 V2929H2889-F2891 HydrophobicContact CB-CE2 3.75Å; H2889-F2891 HydrophobicContact CB-CZ 4.36Å; F2891-S2898 VanDerWaalsContact CE1-CB 3.44Å; F2891-G2926 CarbonylContact O-C 3.5Å; F2891-G2926 WeakPolarHBondContact O-CA 3.33Å; F2891-Y2927 HydrophobicContact CB-CD1 4.05Å; F2891-Y2927 HydrophobicContact CB-CD2 4.2Å; F2891-Y2927 HydrophobicContact CB-CE1 3.64Å; F2891-Y2927 HydrophobicContact CB-CE2 3.8Å; F2891-Y2927 HydrophobicContact CB-CG 4.3Å; F2891-Y2927 VanDerWaalsContact CB-CZ 3.43Å; F2891-Y2927 HydrophobicContact CD1-CE2 4.41Å; F2891-Y2927 HydrophobicContact CD2-CD2 4.02Å; F2891-Y2927 AromaticContact CD2-CE2 3.45Å; F2891-Y2927 HydrophobicContact CD2-CE2 3.45Å; F2891-Y2927 VanDerWaalsContact CD2-CE2 3.45Å; F2891-Y2927 AromaticContact CD2-CZ 3.9Å; F2891-Y2927 HydrophobicContact CE2-CE2 4.14Å; F2891-Y2927 HydrophobicContact CG-CD2 4.39Å; F2891-Y2927 HydrophobicContact CG-CE1 4.26Å; F2891-Y2927 AromaticContact CG-CE2 3.68Å; F2891-Y2927 HydrophobicContact CG-CE2 3.68Å; F2891-Y2927 AromaticContact CG-CZ 3.59Å; F2891-Y2927 PolarHBondContact N-O 2.94Å; F2891-Y2927 PolarHBondContact O-N 3.36Å; F2891-V2929 HydrophobicContact CD2-CB 4.46Å; F2891-V2929 HydrophobicContact CD2-CG2 3.8Å; F2891-V2929 HydrophobicContact CE2-CB 3.95Å; F2891-V2929 HydrophobicContact CE2-CG2 3.46Å; F2891-V2929 VanDerWaalsContact CE2-CG2 3.46Å; F2891-V2929 HydrophobicContact CZ-CG2 4.46Å
2892R79.4Confident80.1Confident115.5 Ų115.570.2 Ų70.244%0.43639%0.394SS..EExtended strand (participates in β ladder)trans-88.1132.9-179-59.5179.8-167.6-159.54.9110.4Y2890 L2894 A2895 E2899Y2890-R2892 HydrophobicContact CD1-CG 4.07Å; Y2890-R2892 HydrophobicContact CE1-CG 3.4Å; Y2890-R2892 VanDerWaalsContact CE1-CG 3.44Å; R2892-L2894 PolarHBondContact O-N 3.02Å; R2892-A2895 HydrophobicContact CB-CB 4.36Å; R2892-A2895 CarbonylContact O-C 3.55Å; R2892-A2895 PolarHBondContact O-N 3.07Å; R2892-A2895 VanDerWaalsContact O-N 3.08Å; R2892-E2899 IonicContact CZ-OE2 3.34Å; R2892-E2899 IonicContact NE-OE2 3.54Å; R2892-E2899 IonicContact NH2-OE1 3.43Å; R2892-E2899 IonicContact NH2-OE2 3.96Å; R2892-E2899 PolarHBondContact NH2-OE2 2.84Å
2893A66.6Low79.6Confident41 Ų4173.5 Ų73.534%0.33941%0.411SS..THydrogen-bonded Turntrans-58.6-24.3-172.400000115.4P2925 R3020A2893-P2925 HydrophobicContact CB-CB 4.42Å; A2893-P2925 WeakPolarHBondContact CB-O 3.33Å; A2893-P2925 PolarHBondContact N-O 3.34Å; A2893-R3020 PolarHBondContact O-NH2 2.97Å
2894L62.6Low79.3Confident174 Ų17472.5 Ų72.591%0.91141%0.407SS*.THydrogen-bonded Turntrans-103.2-6.5-178.8-74.7127.7000114.6R2892R2892-L2894 PolarHBondContact O-N 3.02Å
2895A58.8Low79.3Confident42.5 Ų42.571.7 Ų71.735%0.35140%0.397SS..EExtended strand (participates in β ladder)trans-130.6124.4-179.300000110R2892 D2897R2892-A2895 HydrophobicContact CB-CB 4.36Å; R2892-A2895 CarbonylContact O-C 3.55Å; R2892-A2895 PolarHBondContact O-N 3.07Å; R2892-A2895 VanDerWaalsContact O-N 3.08Å; A2895-D2897 PolarHBondContact O-N 3Å
2896N61.9Low79.3Confident172 Ų17272.1 Ų72.192%0.9240%0.402SS*.EExtended strand (participates in β ladder)trans-72.121176.2-8521.5000113.5
2897D68.5Low79.3Confident130 Ų13068.7 Ų68.770%0.69538%0.384SS*.EExtended strand (participates in β ladder)trans-102137178.8-103.3-17.1000109.5A2895A2895-D2897 PolarHBondContact O-N 3Å
2898S74.6Confident79.3Confident64 Ų6468.1 Ų68.145%0.44838%0.38SS..EExtended strand (participates in β ladder)trans-101.4138.4174.758.30000110.6Y2890 F2891Y2890-S2898 WeakPolarHBondContact O-CA 3.3Å; F2891-S2898 VanDerWaalsContact CE1-CB 3.44Å
2899E80.7Confident79.1Confident94 Ų9470.6 Ų70.644%0.43940%0.399SS..EExtended strand (participates in β ladder)trans-117.4125.9177.1-172.1171.5-165.100109.9Y2890 R2892 V2901Y2890-E2899 PolarHBondContact N-O 3.04Å; Y2890-E2899 PolarHBondContact O-N 3.15Å; R2892-E2899 IonicContact CZ-OE2 3.34Å; R2892-E2899 IonicContact NE-OE2 3.54Å; R2892-E2899 IonicContact NH2-OE1 3.43Å; R2892-E2899 IonicContact NH2-OE2 3.96Å; R2892-E2899 PolarHBondContact NH2-OE2 2.84Å; E2899-V2901 VanDerWaalsContact O-CG2 3.3Å; E2899-V2901 WeakPolarHBondContact O-CG2 3.49Å; E2899-V2901 PolarHBondContact O-N 3.05Å
2900D79.8Confident79Confident123 Ų12373.3 Ų73.366%0.65842%0.418SS*.EExtended strand (participates in β ladder)trans-74.6117.9173.9-66.61.2000108.5H2889H2889-D2900 IonicContact CE1-OD1 3.38Å; H2889-D2900 PolarHBondContact CE1-OD1 2.99Å; H2889-D2900 IonicContact CG-OD1 3.33Å; H2889-D2900 IonicContact ND1-OD1 3.02Å; H2889-D2900 PolarHBondContact ND1-OD1 3.39Å
2901V81.6Confident78.9Confident31.5 Ų31.575.7 Ų75.719%0.19143%0.432CS..  trans-113.2139.9-174.3-122.80000110.4I2888 Y2890 E2899 V2904 F2928I2888-V2901 HydrophobicContact CB-CG2 4.42Å; I2888-V2901 HydrophobicContact CG2-CG2 3.81Å; I2888-V2901 PolarHBondContact O-N 3.32Å; Y2890-V2901 VanDerWaalsContact CB-CG2 3.49Å; E2899-V2901 VanDerWaalsContact O-CG2 3.3Å; E2899-V2901 WeakPolarHBondContact O-CG2 3.49Å; E2899-V2901 PolarHBondContact O-N 3.05Å; V2901-V2904 HydrophobicContact CB-CG2 3.86Å; V2901-V2904 HydrophobicContact CG1-CG2 3.41Å; V2901-V2904 VanDerWaalsContact CG1-CG2 3.41Å; V2901-V2904 HydrophobicContact CG2-CG2 4.22Å; V2901-F2928 HydrophobicContact CG2-CD1 4.1Å; V2901-F2928 HydrophobicContact CG2-CE1 4.12Å
2902G73.8Confident79.1Confident63.5 Ų63.573.1 Ų73.166%0.65542%0.42SS*.SBendtrans-81.3174.917900000113I2888 V2904I2888-G2902 WeakPolarHBondContact CD1-O 3.44Å; G2902-V2904 VanDerWaalsContact C-N 3.25Å; G2902-V2904 PolarHBondContact O-N 2.99Å
2903Q79.6Confident79.6Confident148 Ų14868.8 Ų68.869%0.69241%0.406SS*.SBendtrans-6.260176.9-66-176.3-20.900114.4F2917Q2903-F2917 HydrophobicContact CB-CD1 3.97Å; Q2903-F2917 HydrophobicContact CB-CE1 4.19Å; Q2903-F2917 WeakPolarHBondContact O-CD1 3.5Å
2904V86.8Confident80.7Confident1.5 Ų1.566.8 Ų66.81%0.00939%0.389CS..SBendtrans-83.9-30.6171.1-175.30000111.2I2888 V2901 G2902 F2917 D2918 F2920 F2928I2888-V2904 HydrophobicContact CD1-CB 4.4Å; I2888-V2904 HydrophobicContact CG2-CG2 4.46Å; V2901-V2904 HydrophobicContact CB-CG2 3.86Å; V2901-V2904 HydrophobicContact CG1-CG2 3.41Å; V2901-V2904 VanDerWaalsContact CG1-CG2 3.41Å; V2901-V2904 HydrophobicContact CG2-CG2 4.22Å; G2902-V2904 VanDerWaalsContact C-N 3.25Å; G2902-V2904 PolarHBondContact O-N 2.99Å; V2904-F2917 WeakPolarHBondContact O-CA 3.35Å; V2904-F2917 WeakPolarHBondContact O-CB 3.27Å; V2904-F2917 PolarHBondContact O-N 2.99Å; V2904-D2918 HydrophobicContact CG1-CB 4.46Å; V2904-D2918 PolarHBondContact O-N 2.81Å; V2904-F2920 HydrophobicContact CG1-CE1 3.88Å; V2904-F2920 HydrophobicContact CG1-CZ 3.92Å; V2904-F2928 HydrophobicContact CG1-CD1 4.48Å; V2904-F2928 HydrophobicContact CG1-CE1 3.99Å; V2904-F2928 HydrophobicContact CG1-CZ 4.05Å; V2904-F2928 HydrophobicContact CG2-CE1 4.3Å
2905F90.8Very high82.1Confident6.5 Ų6.561.4 Ų61.43%0.02936%0.357CS..EExtended strand (participates in β ladder)trans-131.3154.9-179.3-52.6-76.6000110.7L2865 I2885 I2888 L2914 R2915 F2920 F2928 V2930 I2948L2865-F2905 HydrophobicContact CD1-CD1 3.56Å; L2865-F2905 HydrophobicContact CD1-CE1 3.47Å; L2865-F2905 VanDerWaalsContact CD1-CE1 3.47Å; I2885-F2905 HydrophobicContact CD1-CB 4.37Å; I2888-F2905 HydrophobicContact CD1-CB 4.39Å; I2888-F2905 HydrophobicContact CD1-CD2 4.1Å; I2888-F2905 HydrophobicContact CG2-CD2 4.16Å; I2888-F2905 HydrophobicContact CG2-CE2 4.2Å; F2905-L2914 HydrophobicContact CB-CD1 3.86Å; F2905-L2914 HydrophobicContact CB-CD2 4.34Å; F2905-L2914 HydrophobicContact CB-CG 4.12Å; F2905-L2914 HydrophobicContact CD1-CD2 4.34Å; F2905-L2914 HydrophobicContact CG-CD2 4.29Å; F2905-R2915 CarbonylContact C-O 3.56Å; F2905-R2915 WeakPolarHBondContact CA-O 3.36Å; F2905-F2920 HydrophobicContact CD1-CZ 4.32Å; F2905-F2920 AromaticContact CE1-CE1 3.91Å; F2905-F2920 HydrophobicContact CE1-CE1 3.91Å; F2905-F2920 AromaticContact CE1-CZ 3.51Å; F2905-F2920 HydrophobicContact CE1-CZ 3.51Å; F2905-F2920 VanDerWaalsContact CE1-CZ 3.46Å; F2905-F2920 AromaticContact CZ-CE1 3.84Å; F2905-F2920 HydrophobicContact CZ-CE1 3.84Å; F2905-F2920 AromaticContact CZ-CZ 3.91Å; F2905-F2920 HydrophobicContact CZ-CZ 3.91Å; F2905-F2928 HydrophobicContact CE2-CB 3.82Å; F2905-F2928 HydrophobicContact CE2-CD1 4.05Å; F2905-F2928 HydrophobicContact CE2-CD2 4.05Å; F2905-F2928 AromaticContact CE2-CG 3.72Å; F2905-F2928 HydrophobicContact CE2-CG 3.72Å; F2905-F2928 HydrophobicContact CZ-CB 4.23Å; F2905-F2928 AromaticContact CZ-CD2 3.76Å; F2905-F2928 HydrophobicContact CZ-CD2 3.76Å; F2905-F2928 HydrophobicContact CZ-CE2 4.21Å; F2905-F2928 AromaticContact CZ-CG 3.93Å; F2905-F2928 HydrophobicContact CZ-CG 3.93Å; F2905-V2930 HydrophobicContact CD2-CG2 3.71Å; F2905-V2930 HydrophobicContact CE2-CG2 3.98Å; F2905-V2930 HydrophobicContact CG-CG2 4.49Å; F2905-I2948 HydrophobicContact CD1-CD1 4.02Å; F2905-I2948 HydrophobicContact CD2-CD1 4.01Å; F2905-I2948 HydrophobicContact CE1-CD1 3.68Å; F2905-I2948 HydrophobicContact CE1-CG2 4.19Å; F2905-I2948 HydrophobicContact CE2-CD1 3.68Å; F2905-I2948 HydrophobicContact CG-CD1 4.19Å; F2905-I2948 HydrophobicContact CZ-CB 4.26Å; F2905-I2948 HydrophobicContact CZ-CD1 3.5Å; F2905-I2948 VanDerWaalsContact CZ-CD1 3.48Å; F2905-I2948 HydrophobicContact CZ-CG1 4.47Å; F2905-I2948 HydrophobicContact CZ-CG2 3.99Å
2906T90.9Very high83.5Confident63 Ų6359.4 Ų59.439%0.38734%0.34SS..EExtended strand (participates in β ladder)trans-124.6140.3170.7117.60000109.8L2914 R2915 F2917T2906-L2914 WeakPolarHBondContact O-CA 3.49Å; T2906-R2915 HydrophobicContact CG2-CB 3.97Å; T2906-R2915 PolarHBondContact N-O 3.44Å; T2906-R2915 PolarHBondContact O-N 3.02Å; T2906-R2915 PolarHBondContact OG1-O 2.59Å; T2906-F2917 HydrophobicContact CG2-CB 4.15Å; T2906-F2917 HydrophobicContact CG2-CD2 3.95Å; T2906-F2917 VanDerWaalsContact CG2-CD2 3.41Å; T2906-F2917 HydrophobicContact CG2-CE2 4.05Å; T2906-F2917 HydrophobicContact CG2-CG 4.02Å
2907M89.9Confident84.8Confident25.5 Ų25.556 Ų5613%0.12632%0.318CS..EExtended strand (participates in β ladder)trans-111128.9178-169.9122.9-116.700108.8V2868 I2885 G2912 I2913 L2914 I2932 I2946V2868-M2907 HydrophobicContact CG1-CE 4.34Å; V2868-M2907 HydrophobicContact CG2-CE 3.52Å; V2868-M2907 VanDerWaalsContact CG2-CE 3.45Å; V2868-M2907 HydrophobicContact CG2-SD 4.26Å; I2885-M2907 HydrophobicContact CD1-CB 3.96Å; I2885-M2907 HydrophobicContact CG1-CB 3.78Å; M2907-G2912 WeakPolarHBondContact CE-O 3.4Å; M2907-I2913 WeakPolarHBondContact CA-O 3.25Å; M2907-I2913 VanDerWaalsContact CE-C 3.47Å; M2907-L2914 HydrophobicContact CB-CD1 4.21Å; M2907-L2914 HydrophobicContact CE-CB 4.03Å; M2907-L2914 HydrophobicContact CE-CD1 4.07Å; M2907-L2914 HydrophobicContact SD-CB 4.04Å; M2907-L2914 HydrophobicContact SD-CD1 3.5Å; M2907-L2914 VanDerWaalsContact SD-CD1 3.5Å; M2907-L2914 HydrophobicContact SD-CG 4.39Å; M2907-I2932 HydrophobicContact CE-CG2 4.12Å; M2907-I2932 HydrophobicContact SD-CB 4.43Å; M2907-I2932 HydrophobicContact SD-CG2 4.07Å; M2907-I2946 HydrophobicContact CE-CD1 4.01Å
2908G88.5Confident85.5Confident16 Ų1653 Ų5317%0.16530%0.302CS..  trans-70.8132.7170.600000110.7V2910 D2911 G2912 I2913G2908-V2910 VanDerWaalsContact C-N 3.32Å; G2908-V2910 PolarHBondContact O-N 3.23Å; G2908-D2911 VanDerWaalsContact C-OD1 3.32Å; G2908-D2911 WeakPolarHBondContact CA-OD1 3.48Å; G2908-G2912 PolarHBondContact O-N 2.78Å; G2908-I2913 PolarHBondContact N-O 3.13Å
2909S88.2Confident85.8Confident68 Ų6854.4 Ų54.448%0.47630%0.303SS..THydrogen-bonded Turntrans-75.5-12-166.961.90000114.7F2882 Y2883F2882-S2909 CarbonylContact C-O 3.54Å; F2882-S2909 VanDerWaalsContact CA-O 3.24Å; F2882-S2909 WeakPolarHBondContact CA-O 3.45Å; Y2883-S2909 PolarHBondContact N-O 3.09Å
2910V85.3Confident85.9Confident100 Ų10050 Ų5061%0.60628%0.283SS*.THydrogen-bonded Turntrans-127.5-39.3-175.9-172.20000111.5F2882 G2908 G2912F2882-V2910 HydrophobicContact CD1-CG2 4.37Å; F2882-V2910 HydrophobicContact CE1-CG2 4.32Å; G2908-V2910 VanDerWaalsContact C-N 3.32Å; G2908-V2910 PolarHBondContact O-N 3.23Å; V2910-G2912 VanDerWaalsContact C-N 3.34Å
2911D86.2Confident85.7Confident55 Ų5551.2 Ų51.229%0.29429%0.286SS..THydrogen-bonded Turntrans-77.5-19179.359.2-21.6000113.3Q2867 G2908 I2913 R2915Q2867-D2911 WeakPolarHBondContact CG-O 3.09Å; Q2867-D2911 PolarHBondContact NE2-O 2.97Å; G2908-D2911 VanDerWaalsContact C-OD1 3.32Å; G2908-D2911 WeakPolarHBondContact CA-OD1 3.48Å; D2911-I2913 HydrophobicContact CB-CD1 4.14Å; D2911-I2913 HydrophobicContact CB-CG1 4.14Å; D2911-I2913 PolarHBondContact O-N 2.93Å; D2911-I2913 PolarHBondContact OD1-N 2.96Å; D2911-R2915 IonicContact OD2-CZ 2.69Å; D2911-R2915 VanDerWaalsContact OD2-CZ 3.26Å; D2911-R2915 IonicContact OD2-NH1 3.06Å; D2911-R2915 PolarHBondContact OD2-NH1 3.19Å; D2911-R2915 IonicContact OD2-NH2 3.14Å; D2911-R2915 PolarHBondContact OD2-NH2 3.09Å
2912G86.5Confident85.3Confident0 Ų054.2 Ų54.20%031%0.314CS..  trans66.919.5-179.200000113.4Q2867 V2868 M2907 G2908 V2910Q2867-G2912 CarbonylContact C-O 3.46Å; Q2867-G2912 WeakPolarHBondContact CA-O 3.32Å; V2868-G2912 WeakPolarHBondContact CG2-O 3.32Å; V2868-G2912 PolarHBondContact N-O 3.13Å; M2907-G2912 WeakPolarHBondContact CE-O 3.4Å; G2908-G2912 PolarHBondContact O-N 2.78Å; V2910-G2912 VanDerWaalsContact C-N 3.34Å
2913I90Very high85.5Confident25 Ų2553.5 Ų53.513%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-92123.7-178.8-60.2173.7000109.9E2864 Q2867 M2907 G2908 D2911 R2915E2864-I2913 HydrophobicContact CB-CG2 3.96Å; E2864-I2913 HydrophobicContact CG-CG2 4.09Å; Q2867-I2913 HydrophobicContact CB-CG1 4.11Å; Q2867-I2913 HydrophobicContact CG-CG1 3.82Å; M2907-I2913 WeakPolarHBondContact CA-O 3.25Å; M2907-I2913 VanDerWaalsContact CE-C 3.47Å; G2908-I2913 PolarHBondContact N-O 3.13Å; D2911-I2913 HydrophobicContact CB-CD1 4.14Å; D2911-I2913 HydrophobicContact CB-CG1 4.14Å; D2911-I2913 PolarHBondContact O-N 2.93Å; D2911-I2913 PolarHBondContact OD1-N 2.96Å; I2913-R2915 HydrophobicContact CG2-CG 3.99Å
2914L90.8Very high85.2Confident0 Ų048.7 Ų48.70%028%0.275CS..EExtended strand (participates in β ladder)trans-87.3125.7172.7-167.479.1000110L2865 I2866 I2885 F2905 T2906 M2907 I2946 I2948L2865-L2914 HydrophobicContact CD1-CD2 4.31Å; L2865-L2914 PolarHBondContact N-O 3.15Å; I2866-L2914 HydrophobicContact CG2-CB 4.07Å; I2866-L2914 HydrophobicContact CG2-CD2 4.39Å; I2866-L2914 PolarHBondContact O-N 3.36Å; I2885-L2914 HydrophobicContact CD1-CD1 3.87Å; I2885-L2914 HydrophobicContact CG1-CD1 4.41Å; F2905-L2914 HydrophobicContact CB-CD1 3.86Å; F2905-L2914 HydrophobicContact CB-CD2 4.34Å; F2905-L2914 HydrophobicContact CB-CG 4.12Å; F2905-L2914 HydrophobicContact CD1-CD2 4.34Å; F2905-L2914 HydrophobicContact CG-CD2 4.29Å; T2906-L2914 WeakPolarHBondContact O-CA 3.49Å; M2907-L2914 HydrophobicContact CB-CD1 4.21Å; M2907-L2914 HydrophobicContact CE-CB 4.03Å; M2907-L2914 HydrophobicContact CE-CD1 4.07Å; M2907-L2914 HydrophobicContact SD-CB 4.04Å; M2907-L2914 HydrophobicContact SD-CD1 3.5Å; M2907-L2914 VanDerWaalsContact SD-CD1 3.5Å; M2907-L2914 HydrophobicContact SD-CG 4.39Å; L2914-I2946 HydrophobicContact CD2-CD1 4.04Å; L2914-I2948 HydrophobicContact CD2-CD1 3.37Å; L2914-I2948 HydrophobicContact CD2-CG1 4.43Å
2915R90.5Very high84.7Confident59.5 Ų59.551.4 Ų51.423%0.22529%0.293CS..EExtended strand (participates in β ladder)trans-121.4148.8-178.1-57-175.6176.186.3-0.8111.3S2863 E2864 F2905 T2906 D2911 I2913S2863-R2915 VanDerWaalsContact O-CA 3.26Å; S2863-R2915 WeakPolarHBondContact O-CA 3.43Å; E2864-R2915 HydrophobicContact CG-CG 4.19Å; E2864-R2915 IonicContact OE1-CZ 3.25Å; E2864-R2915 IonicContact OE1-NE 3.28Å; E2864-R2915 PolarHBondContact OE1-NE 2.94Å; E2864-R2915 VanDerWaalsContact OE1-NE 3.16Å; E2864-R2915 IonicContact OE1-NH2 3.28Å; E2864-R2915 PolarHBondContact OE1-NH2 3.04Å; F2905-R2915 CarbonylContact C-O 3.56Å; F2905-R2915 WeakPolarHBondContact CA-O 3.36Å; T2906-R2915 HydrophobicContact CG2-CB 3.97Å; T2906-R2915 PolarHBondContact N-O 3.44Å; T2906-R2915 PolarHBondContact O-N 3.02Å; T2906-R2915 PolarHBondContact OG1-O 2.59Å; D2911-R2915 IonicContact OD2-CZ 2.69Å; D2911-R2915 VanDerWaalsContact OD2-CZ 3.26Å; D2911-R2915 IonicContact OD2-NH1 3.06Å; D2911-R2915 PolarHBondContact OD2-NH1 3.19Å; D2911-R2915 IonicContact OD2-NH2 3.14Å; D2911-R2915 PolarHBondContact OD2-NH2 3.09Å; I2913-R2915 HydrophobicContact CG2-CG 3.99Å
2916T89.2Confident84.3Confident1 Ų151.6 Ų51.61%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-68136.6174.351.80000111.8V2855 K2860 G2862 S2863 L2865 F2920V2855-T2916 HydrophobicContact CG2-CG2 4.07Å; K2860-T2916 PolarHBondContact O-OG1 3.31Å; G2862-T2916 PolarHBondContact N-O 2.83Å; G2862-T2916 PolarHBondContact N-OG1 3.31Å; G2862-T2916 VanDerWaalsContact N-OG1 3.1Å; S2863-T2916 PolarHBondContact N-OG1 2.7Å; S2863-T2916 PolarHBondContact O-N 3.07Å; S2863-T2916 PolarHBondContact O-OG1 3.13Å; L2865-T2916 HydrophobicContact CD1-CG2 3.82Å; L2865-T2916 HydrophobicContact CD2-CG2 3.87Å; L2865-T2916 HydrophobicContact CG-CG2 3.93Å; T2916-F2920 HydrophobicContact CG2-CD2 4.33Å; T2916-F2920 HydrophobicContact CG2-CE2 3.41Å; T2916-F2920 VanDerWaalsContact CG2-CE2 3.46Å; T2916-F2920 HydrophobicContact CG2-CZ 3.98Å
2917F88Confident84.1Confident101 Ų10150.8 Ų50.844%0.44329%0.287SS..  trans-117-11175.5-162.8-102.9000113.4V2861 Q2903 V2904 T2906V2861-F2917 WeakPolarHBondContact CG1-O 3.02Å; Q2903-F2917 HydrophobicContact CB-CD1 3.97Å; Q2903-F2917 HydrophobicContact CB-CE1 4.19Å; Q2903-F2917 WeakPolarHBondContact O-CD1 3.5Å; V2904-F2917 WeakPolarHBondContact O-CA 3.35Å; V2904-F2917 WeakPolarHBondContact O-CB 3.27Å; V2904-F2917 PolarHBondContact O-N 2.99Å; T2906-F2917 HydrophobicContact CG2-CB 4.15Å; T2906-F2917 HydrophobicContact CG2-CD2 3.95Å; T2906-F2917 VanDerWaalsContact CG2-CD2 3.41Å; T2906-F2917 HydrophobicContact CG2-CE2 4.05Å; T2906-F2917 HydrophobicContact CG2-CG 4.02Å
2918D84.4Confident84.1Confident68 Ų6849.5 Ų49.536%0.36428%0.281SS..SBendtrans-131.2171.7178.9-157.4-3.3000111.7V2904 F2920 Y2923V2904-D2918 HydrophobicContact CG1-CB 4.46Å; V2904-D2918 PolarHBondContact O-N 2.81Å; D2918-F2920 WeakPolarHBondContact O-CD2 3.38Å; D2918-F2920 VanDerWaalsContact O-CE2 3.22Å; D2918-F2920 WeakPolarHBondContact O-CE2 3.41Å; D2918-Y2923 PolarHBondContact OD2-OH 3.29Å
2919L81.4Confident84.1Confident92 Ų9250 Ų5048%0.48228%0.281SS..  trans-94.1125.4179.7-67.9169000111.7V2861 M2921V2861-L2919 HydrophobicContact CG2-CD2 4.07Å; V2861-L2919 HydrophobicContact CG2-CG 4.19Å; L2919-M2921 PolarHBondContact O-N 2.98Å
2920F82.6Confident84.3Confident1 Ų146.8 Ų46.80%0.00426%0.258CS..G310 helixtrans-82.5-11.2-171.2-66.5-88.1000115.1V2855 T2857 A2859 V2904 F2905 T2916 D2918 A2922 Y2923 F2928 I2950V2855-F2920 HydrophobicContact CG1-CD1 3.8Å; V2855-F2920 HydrophobicContact CG1-CE1 3.99Å; V2855-F2920 HydrophobicContact CG1-CG 4.21Å; V2855-F2920 HydrophobicContact CG2-CD1 4.13Å; V2855-F2920 HydrophobicContact CG2-CD2 3.59Å; V2855-F2920 HydrophobicContact CG2-CE1 4.23Å; V2855-F2920 HydrophobicContact CG2-CE2 3.74Å; V2855-F2920 HydrophobicContact CG2-CG 3.82Å; V2855-F2920 HydrophobicContact CG2-CZ 4.06Å; T2857-F2920 CarbonylContact O-C 3.52Å; A2859-F2920 HydrophobicContact CB-CD2 4.31Å; V2904-F2920 HydrophobicContact CG1-CE1 3.88Å; V2904-F2920 HydrophobicContact CG1-CZ 3.92Å; F2905-F2920 HydrophobicContact CD1-CZ 4.32Å; F2905-F2920 AromaticContact CE1-CE1 3.91Å; F2905-F2920 HydrophobicContact CE1-CE1 3.91Å; F2905-F2920 AromaticContact CE1-CZ 3.51Å; F2905-F2920 HydrophobicContact CE1-CZ 3.51Å; F2905-F2920 VanDerWaalsContact CE1-CZ 3.46Å; F2905-F2920 AromaticContact CZ-CE1 3.84Å; F2905-F2920 HydrophobicContact CZ-CE1 3.84Å; F2905-F2920 AromaticContact CZ-CZ 3.91Å; F2905-F2920 HydrophobicContact CZ-CZ 3.91Å; T2916-F2920 HydrophobicContact CG2-CD2 4.33Å; T2916-F2920 HydrophobicContact CG2-CE2 3.41Å; T2916-F2920 VanDerWaalsContact CG2-CE2 3.46Å; T2916-F2920 HydrophobicContact CG2-CZ 3.98Å; D2918-F2920 WeakPolarHBondContact O-CD2 3.38Å; D2918-F2920 VanDerWaalsContact O-CE2 3.22Å; D2918-F2920 WeakPolarHBondContact O-CE2 3.41Å; F2920-A2922 PolarHBondContact O-N 2.86Å; F2920-A2922 VanDerWaalsContact O-N 3.09Å; F2920-Y2923 HydrophobicContact CD1-CD2 4.43Å; F2920-Y2923 PolarHBondContact O-N 2.87Å; F2920-Y2923 VanDerWaalsContact O-N 3.14Å; F2920-F2928 AromaticContact CD1-CE2 3.92Å; F2920-F2928 HydrophobicContact CD1-CE2 3.99Å; F2920-F2928 HydrophobicContact CD1-CZ 4.43Å; F2920-F2928 HydrophobicContact CE1-CD2 4.39Å; F2920-F2928 AromaticContact CE1-CE2 3.7Å; F2920-F2928 HydrophobicContact CE1-CE2 3.7Å; F2920-F2928 HydrophobicContact CE1-CZ 4.1Å; F2920-I2950 HydrophobicContact CD1-CG1 4.45Å
2921M74.3Confident84.6Confident149.5 Ų149.544.1 Ų44.174%0.73624%0.24SC*.G310 helixtrans-59.4-24.8177.6-67-162.6-60.500113.9T2857 L2919T2857-M2921 WeakPolarHBondContact O-CG 3.35Å; T2857-M2921 PolarHBondContact O-N 3.02Å; T2857-M2921 VanDerWaalsContact O-N 3.08Å; L2919-M2921 PolarHBondContact O-N 2.98Å
2922A73Confident84.9Confident94 Ų9441.6 Ų41.678%0.77723%0.227SC*.G310 helixtrans-81.7-16.5-178.900000113.6F2920F2920-A2922 PolarHBondContact O-N 2.86Å; F2920-A2922 VanDerWaalsContact O-N 3.09Å
2923Y78.1Confident85.3Confident48.5 Ų48.541.9 Ų41.919%0.1923%0.229CC..SBendtrans-88.3139.8-174.9-70.9-91.6000111.7Y2890 D2918 F2920 F2928 I2950Y2890-Y2923 HydrophobicContact CD1-CD1 4.32Å; Y2890-Y2923 HydrophobicContact CD2-CD1 4.43Å; Y2890-Y2923 AromaticContact CE1-CD1 3.93Å; Y2890-Y2923 HydrophobicContact CE1-CD1 3.93Å; Y2890-Y2923 HydrophobicContact CE2-CD1 4.07Å; Y2890-Y2923 AromaticContact CZ-CD1 3.81Å; D2918-Y2923 PolarHBondContact OD2-OH 3.29Å; F2920-Y2923 HydrophobicContact CD1-CD2 4.43Å; F2920-Y2923 PolarHBondContact O-N 2.87Å; F2920-Y2923 VanDerWaalsContact O-N 3.14Å; Y2923-F2928 HydrophobicContact CD1-CE1 4.22Å; Y2923-F2928 AromaticContact CD1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CD1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CD2-CZ 4.3Å; Y2923-F2928 AromaticContact CE1-CE1 3.87Å; Y2923-F2928 HydrophobicContact CE1-CE1 3.87Å; Y2923-F2928 AromaticContact CE1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CE1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CE2-CZ 4.4Å; Y2923-F2928 AromaticContact CG-CZ 3.97Å; Y2923-F2928 HydrophobicContact CG-CZ 4.05Å; Y2923-I2950 VanDerWaalsContact CB-CD1 3.48Å; Y2923-I2950 HydrophobicContact CG-CD1 4.37Å
2924S74.4Confident85.4Confident48 Ų4840.7 Ų40.734%0.33622%0.223SC..PPolyproline II helixtrans-69.2159.5170.453.80000111.4Y2890 G2926 I2950Y2890-S2924 PolarHBondContact OH-N 3.05Å; Y2890-S2924 VanDerWaalsContact OH-N 3.1Å; Y2890-S2924 PolarHBondContact OH-O 3.07Å; Y2890-S2924 PolarHBondContact OH-OG 3.43Å; S2924-G2926 PolarHBondContact O-N 3.07Å; S2924-I2950 WeakPolarHBondContact O-CD1 3.44Å
2925P75.8Confident85.4Confident58 Ų5846.6 Ų46.638%0.37725%0.245SC..SBendtrans-52128173.1-26.334.9000111.3A2893A2893-P2925 HydrophobicContact CB-CB 4.42Å; A2893-P2925 WeakPolarHBondContact CB-O 3.33Å; A2893-P2925 PolarHBondContact N-O 3.34Å
2926G83.1Confident85.3Confident11 Ų1144.2 Ų44.211%0.11324%0.236CC..EExtended strand (participates in β ladder)trans173.4-171.5-168.900000111.9F2891 S2924 I2950F2891-G2926 CarbonylContact O-C 3.5Å; F2891-G2926 WeakPolarHBondContact O-CA 3.33Å; S2924-G2926 PolarHBondContact O-N 3.07Å; G2926-I2950 PolarHBondContact O-N 2.99Å; G2926-I2950 VanDerWaalsContact O-N 3.12Å
2927Y86.4Confident85.1Confident45 Ų4549.1 Ų49.118%0.17626%0.262CS..EExtended strand (participates in β ladder)trans-140.9153.7176.865.5-88.9000111.2F2891 V2929 I2948 Y2949 N3019F2891-Y2927 HydrophobicContact CB-CD1 4.05Å; F2891-Y2927 HydrophobicContact CB-CD2 4.2Å; F2891-Y2927 HydrophobicContact CB-CE1 3.64Å; F2891-Y2927 HydrophobicContact CB-CE2 3.8Å; F2891-Y2927 HydrophobicContact CB-CG 4.3Å; F2891-Y2927 VanDerWaalsContact CB-CZ 3.43Å; F2891-Y2927 HydrophobicContact CD1-CE2 4.41Å; F2891-Y2927 HydrophobicContact CD2-CD2 4.02Å; F2891-Y2927 AromaticContact CD2-CE2 3.45Å; F2891-Y2927 HydrophobicContact CD2-CE2 3.45Å; F2891-Y2927 VanDerWaalsContact CD2-CE2 3.45Å; F2891-Y2927 AromaticContact CD2-CZ 3.9Å; F2891-Y2927 HydrophobicContact CE2-CE2 4.14Å; F2891-Y2927 HydrophobicContact CG-CD2 4.39Å; F2891-Y2927 HydrophobicContact CG-CE1 4.26Å; F2891-Y2927 AromaticContact CG-CE2 3.68Å; F2891-Y2927 HydrophobicContact CG-CE2 3.68Å; F2891-Y2927 AromaticContact CG-CZ 3.59Å; F2891-Y2927 PolarHBondContact N-O 2.94Å; F2891-Y2927 PolarHBondContact O-N 3.36Å; Y2927-V2929 HydrophobicContact CD2-CG2 3.83Å; Y2927-V2929 HydrophobicContact CE2-CG2 3.59Å; Y2927-I2948 CarbonylContact C-O 3.53Å; Y2927-I2948 VanDerWaalsContact CA-O 3.24Å; Y2927-I2948 WeakPolarHBondContact CA-O 3.4Å; Y2927-I2948 WeakPolarHBondContact CB-O 3.33Å; Y2927-Y2949 VanDerWaalsContact CB-CD1 3.47Å; Y2927-Y2949 HydrophobicContact CD1-CE1 4.22Å; Y2927-Y2949 HydrophobicContact CD2-CE1 4.47Å; Y2927-Y2949 HydrophobicContact CG-CD1 4.23Å; Y2927-Y2949 AromaticContact CG-CE1 3.88Å; Y2927-Y2949 HydrophobicContact CG-CE1 3.95Å; Y2927-N3019 HydrophobicContact CE1-CB 4.17Å
2928F89.4Confident84.7Confident0 Ų047.3 Ų47.30%027%0.266CS..EExtended strand (participates in β ladder)trans-101.3150.9170.5-57.2-93.6000110.1I2888 H2889 Y2890 V2901 V2904 F2905 F2920 Y2923 G2947 I2948 I2950I2888-F2928 HydrophobicContact CG2-CD1 4.1Å; H2889-F2928 CarbonylContact O-C 3.31Å; H2889-F2928 VanDerWaalsContact O-CA 3.31Å; H2889-F2928 WeakPolarHBondContact O-CA 3.38Å; Y2890-F2928 AromaticContact CD2-CD1 3.72Å; Y2890-F2928 HydrophobicContact CD2-CD1 3.72Å; Y2890-F2928 HydrophobicContact CD2-CD2 4.33Å; Y2890-F2928 AromaticContact CD2-CE1 3.46Å; Y2890-F2928 HydrophobicContact CD2-CE1 3.46Å; Y2890-F2928 HydrophobicContact CD2-CE2 4.11Å; Y2890-F2928 HydrophobicContact CD2-CG 4.15Å; Y2890-F2928 AromaticContact CD2-CZ 3.67Å; Y2890-F2928 HydrophobicContact CD2-CZ 3.67Å; Y2890-F2928 HydrophobicContact CE2-CE1 4.28Å; Y2890-F2928 HydrophobicContact CE2-CE2 4.33Å; Y2890-F2928 AromaticContact CE2-CZ 3.97Å; Y2890-F2928 HydrophobicContact CE2-CZ 4.04Å; Y2890-F2928 HydrophobicContact CG-CD1 4.1Å; Y2890-F2928 AromaticContact CG-CE1 3.78Å; Y2890-F2928 HydrophobicContact CG-CE1 3.78Å; Y2890-F2928 HydrophobicContact CG-CZ 4.35Å; V2901-F2928 HydrophobicContact CG2-CD1 4.1Å; V2901-F2928 HydrophobicContact CG2-CE1 4.12Å; V2904-F2928 HydrophobicContact CG1-CD1 4.48Å; V2904-F2928 HydrophobicContact CG1-CE1 3.99Å; V2904-F2928 HydrophobicContact CG1-CZ 4.05Å; V2904-F2928 HydrophobicContact CG2-CE1 4.3Å; F2905-F2928 HydrophobicContact CE2-CB 3.82Å; F2905-F2928 HydrophobicContact CE2-CD1 4.05Å; F2905-F2928 HydrophobicContact CE2-CD2 4.05Å; F2905-F2928 AromaticContact CE2-CG 3.72Å; F2905-F2928 HydrophobicContact CE2-CG 3.72Å; F2905-F2928 HydrophobicContact CZ-CB 4.23Å; F2905-F2928 AromaticContact CZ-CD2 3.76Å; F2905-F2928 HydrophobicContact CZ-CD2 3.76Å; F2905-F2928 HydrophobicContact CZ-CE2 4.21Å; F2905-F2928 AromaticContact CZ-CG 3.93Å; F2905-F2928 HydrophobicContact CZ-CG 3.93Å; F2920-F2928 AromaticContact CD1-CE2 3.92Å; F2920-F2928 HydrophobicContact CD1-CE2 3.99Å; F2920-F2928 HydrophobicContact CD1-CZ 4.43Å; F2920-F2928 HydrophobicContact CE1-CD2 4.39Å; F2920-F2928 AromaticContact CE1-CE2 3.7Å; F2920-F2928 HydrophobicContact CE1-CE2 3.7Å; F2920-F2928 HydrophobicContact CE1-CZ 4.1Å; Y2923-F2928 HydrophobicContact CD1-CE1 4.22Å; Y2923-F2928 AromaticContact CD1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CD1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CD2-CZ 4.3Å; Y2923-F2928 AromaticContact CE1-CE1 3.87Å; Y2923-F2928 HydrophobicContact CE1-CE1 3.87Å; Y2923-F2928 AromaticContact CE1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CE1-CZ 3.67Å; Y2923-F2928 HydrophobicContact CE2-CZ 4.4Å; Y2923-F2928 AromaticContact CG-CZ 3.97Å; Y2923-F2928 HydrophobicContact CG-CZ 4.05Å; F2928-G2947 CarbonylContact O-C 3.53Å; F2928-G2947 VanDerWaalsContact O-CA 3.3Å; F2928-G2947 WeakPolarHBondContact O-CA 3.34Å; F2928-I2948 HydrophobicContact CB-CB 4.27Å; F2928-I2948 PolarHBondContact N-O 3.44Å; F2928-I2948 PolarHBondContact O-N 2.86Å; F2928-I2950 HydrophobicContact CD2-CG1 4.34Å; F2928-I2950 HydrophobicContact CE2-CD1 3.76Å; F2928-I2950 HydrophobicContact CE2-CG1 3.86Å; F2928-I2950 HydrophobicContact CZ-CD1 4.33Å
2929V88.9Confident84.6Confident26.5 Ų26.546.6 Ų46.616%0.16128%0.275CS..EExtended strand (participates in β ladder)trans-121.5114.3170.3179.20000106.3I2888 H2889 F2891 Y2927 I2945 I2946I2888-V2929 WeakPolarHBondContact CA-O 3.33Å; H2889-V2929 HydrophobicContact CB-CB 4.36Å; H2889-V2929 PolarHBondContact N-O 3.28Å; H2889-V2929 PolarHBondContact O-N 2.91Å; F2891-V2929 HydrophobicContact CD2-CB 4.46Å; F2891-V2929 HydrophobicContact CD2-CG2 3.8Å; F2891-V2929 HydrophobicContact CE2-CB 3.95Å; F2891-V2929 HydrophobicContact CE2-CG2 3.46Å; F2891-V2929 VanDerWaalsContact CE2-CG2 3.46Å; F2891-V2929 HydrophobicContact CZ-CG2 4.46Å; Y2927-V2929 HydrophobicContact CD2-CG2 3.83Å; Y2927-V2929 HydrophobicContact CE2-CG2 3.59Å; V2929-I2945 HydrophobicContact CG1-CG2 3.32Å; V2929-I2946 CarbonylContact C-O 3.45Å; V2929-I2946 WeakPolarHBondContact CA-O 3.17Å
2930V91.6Very high84.8Confident0 Ų045.5 Ų45.50%027%0.267CS..EExtended strand (participates in β ladder)trans-107114.1-179.2-174.30000108.3I2885 A2887 I2888 F2905 I2932 I2945 I2946 I2948I2885-V2930 HydrophobicContact CD1-CG1 4.4Å; I2885-V2930 HydrophobicContact CG1-CG1 4.16Å; I2885-V2930 HydrophobicContact CG2-CG1 3.76Å; A2887-V2930 WeakPolarHBondContact O-CA 3.21Å; I2888-V2930 HydrophobicContact CG1-CG1 4.16Å; I2888-V2930 HydrophobicContact CG1-CG2 4.29Å; I2888-V2930 HydrophobicContact CG2-CG2 4.3Å; F2905-V2930 HydrophobicContact CD2-CG2 3.71Å; F2905-V2930 HydrophobicContact CE2-CG2 3.98Å; F2905-V2930 HydrophobicContact CG-CG2 4.49Å; V2930-I2932 HydrophobicContact CG1-CG2 3.98Å; V2930-I2932 PolarHBondContact O-N 3Å; V2930-I2945 CarbonylContact O-C 3.59Å; V2930-I2946 HydrophobicContact CB-CB 4.21Å; V2930-I2946 PolarHBondContact N-O 2.96Å; V2930-I2946 PolarHBondContact O-N 2.75Å; V2930-I2948 HydrophobicContact CG2-CD1 3.62Å; V2930-I2948 HydrophobicContact CG2-CG1 4.48Å
2931D92.1Very high85.2Confident44 Ų4449.8 Ų49.824%0.23529%0.29CS..EExtended strand (participates in β ladder)trans-81.7123.1173.8-67.7-17.3000108.5L2886 A2887 H2889L2886-D2931 HydrophobicContact CB-CB 4.04Å; L2886-D2931 PolarHBondContact N-O 2.82Å; A2887-D2931 HydrophobicContact CB-CB 4.34Å; A2887-D2931 PolarHBondContact N-O 2.82Å; A2887-D2931 PolarHBondContact O-N 3.19Å; H2889-D2931 IonicContact NE2-OD2 3.64Å
2932I93.5Very high86Confident1 Ų145.2 Ų45.21%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-118155.2-178.558.3162.3000111.7F2846 V2868 G2884 I2885 M2907 V2930 T2943 A2944 I2946F2846-I2932 HydrophobicContact CD1-CD1 4.31Å; F2846-I2932 HydrophobicContact CE1-CD1 3.55Å; F2846-I2932 VanDerWaalsContact CE1-CD1 3.49Å; F2846-I2932 HydrophobicContact CE1-CG1 4.42Å; F2846-I2932 HydrophobicContact CE2-CD1 4.37Å; F2846-I2932 HydrophobicContact CE2-CG1 4.3Å; F2846-I2932 HydrophobicContact CZ-CB 4.46Å; F2846-I2932 HydrophobicContact CZ-CD1 3.58Å; F2846-I2932 HydrophobicContact CZ-CG1 3.96Å; V2868-I2932 HydrophobicContact CB-CD1 4.06Å; V2868-I2932 HydrophobicContact CG1-CD1 3.87Å; V2868-I2932 HydrophobicContact CG2-CD1 3.78Å; G2884-I2932 CarbonylContact O-C 3.54Å; G2884-I2932 VanDerWaalsContact O-CA 3.32Å; G2884-I2932 WeakPolarHBondContact O-CA 3.4Å; I2885-I2932 HydrophobicContact CG1-CG2 4.49Å; M2907-I2932 HydrophobicContact CE-CG2 4.12Å; M2907-I2932 HydrophobicContact SD-CB 4.43Å; M2907-I2932 HydrophobicContact SD-CG2 4.07Å; V2930-I2932 HydrophobicContact CG1-CG2 3.98Å; V2930-I2932 PolarHBondContact O-N 3Å; I2932-T2943 VanDerWaalsContact O-CA 3.27Å; I2932-T2943 WeakPolarHBondContact O-CA 3.44Å; I2932-A2944 HydrophobicContact CD1-CB 4.11Å; I2932-A2944 HydrophobicContact CG1-CB 4.01Å; I2932-A2944 WeakPolarHBondContact CG1-O 3.35Å; I2932-A2944 PolarHBondContact N-O 3.26Å; I2932-A2944 PolarHBondContact O-N 3.1Å; I2932-I2946 HydrophobicContact CD1-CD1 4.02Å; I2932-I2946 HydrophobicContact CD1-CG1 4.01Å; I2932-I2946 HydrophobicContact CG1-CD1 4.48Å; I2932-I2946 HydrophobicContact CG1-CG1 4.28Å; I2932-I2946 HydrophobicContact CG2-CD1 3.84Å; I2932-I2946 HydrophobicContact CG2-CG1 4.21Å
2933V93.7Very high87Confident7.5 Ų7.544.5 Ų44.55%0.04526%0.255CS..EExtended strand (participates in β ladder)trans-130.1137.2177.366.10000110.5Y2883 G2884 L2886 R2935 N2941 D2942 T2943Y2883-V2933 CarbonylContact C-O 3.57Å; Y2883-V2933 WeakPolarHBondContact CA-O 3.04Å; G2884-V2933 PolarHBondContact N-O 3.03Å; G2884-V2933 PolarHBondContact O-N 3.15Å; L2886-V2933 HydrophobicContact CD1-CB 4.03Å; L2886-V2933 HydrophobicContact CD2-CB 4.27Å; L2886-V2933 HydrophobicContact CD2-CG1 4Å; L2886-V2933 HydrophobicContact CG-CB 4.02Å; L2886-V2933 HydrophobicContact CG-CG1 4.06Å; V2933-R2935 HydrophobicContact CG1-CG 4.45Å; V2933-R2935 HydrophobicContact CG2-CG 3.92Å; V2933-N2941 HydrophobicContact CG2-CB 3.93Å; V2933-D2942 WeakPolarHBondContact CA-O 3.41Å; V2933-D2942 WeakPolarHBondContact CG2-O 3.28Å; V2933-T2943 HydrophobicContact CB-CG2 4.32Å; V2933-T2943 HydrophobicContact CG2-CG2 4.14Å
2934A92Very high87.6Confident0 Ų042.4 Ų42.40%025%0.247CC..EExtended strand (participates in β ladder)trans-103.8137.2165.700000108.5P2844 F2846 A2870 V2881 F2882 Y2883 N2941 D2942P2844-A2934 HydrophobicContact CB-CB 4.36Å; P2844-A2934 HydrophobicContact CG-CB 4.34Å; F2846-A2934 HydrophobicContact CD2-CB 4.33Å; F2846-A2934 HydrophobicContact CE1-CB 4.13Å; F2846-A2934 HydrophobicContact CE2-CB 3.63Å; F2846-A2934 HydrophobicContact CZ-CB 3.51Å; F2846-A2934 VanDerWaalsContact CZ-CB 3.49Å; A2870-A2934 HydrophobicContact CB-CB 3.55Å; V2881-A2934 HydrophobicContact CG1-CB 3.67Å; F2882-A2934 CarbonylContact O-C 3.55Å; F2882-A2934 WeakPolarHBondContact O-CA 3.27Å; Y2883-A2934 HydrophobicContact CD1-CB 4.34Å; Y2883-A2934 HydrophobicContact CE1-CB 4.34Å; A2934-N2941 WeakPolarHBondContact O-CA 3.39Å; A2934-N2941 VanDerWaalsContact O-CB 3.27Å; A2934-N2941 WeakPolarHBondContact O-CB 3.31Å; A2934-D2942 PolarHBondContact N-O 2.88Å; A2934-D2942 PolarHBondContact O-N 3.06Å; A2934-D2942 VanDerWaalsContact O-N 3.08Å
2935R91.4Very high88.4Confident122.5 Ų122.543.3 Ų43.346%0.46225%0.247SC..EExtended strand (participates in β ladder)trans-137.5142.5179.1-54.4-170.2-178.3-177.60.5111.4F2882 V2933 H2940 N2941F2882-R2935 PolarHBondContact N-O 3.11Å; F2882-R2935 PolarHBondContact O-N 3.01Å; V2933-R2935 HydrophobicContact CG1-CG 4.45Å; V2933-R2935 HydrophobicContact CG2-CG 3.92Å; R2935-H2940 VanDerWaalsContact CA-O 3.29Å; R2935-H2940 WeakPolarHBondContact CA-O 3.3Å; R2935-N2941 HydrophobicContact CG-CB 3.95Å
2936D88.7Confident89.1Confident9.5 Ų9.540.6 Ų40.65%0.05123%0.229CC..  trans-92.2-168.5173.169-4.1000111.6N2840 P2844 A2938 G2939 H2940N2840-D2936 VanDerWaalsContact CG-OD2 3.3Å; N2840-D2936 PolarHBondContact ND2-OD2 3.49Å; N2840-D2936 PolarHBondContact OD1-OD2 2.92Å; P2844-D2936 HydrophobicContact CG-CB 4.19Å; D2936-A2938 PolarHBondContact OD1-N 2.84Å; D2936-A2938 PolarHBondContact OD2-N 3.27Å; D2936-G2939 WeakPolarHBondContact OD1-CA 3.45Å; D2936-G2939 PolarHBondContact OD1-N 2.86Å; D2936-H2940 PolarHBondContact N-O 3.1Å; D2936-H2940 VanDerWaalsContact N-O 3.12Å; D2936-H2940 IonicContact OD1-CG 2.68Å; D2936-H2940 PolarHBondContact OD1-N 2.89Å; D2936-H2940 IonicContact OD1-ND1 3.24Å; D2936-H2940 WeakPolarHBondContact OD2-CB 3.29Å; D2936-H2940 IonicContact OD2-CE1 3.31Å; D2936-H2940 IonicContact OD2-CG 2.77Å; D2936-H2940 IonicContact OD2-ND1 3.81Å; D2936-H2940 PolarHBondContact OD2-ND1 2.71Å
2937L83.7Confident89.3Confident104.5 Ų104.540.5 Ų40.555%0.54723%0.228SC..SBendtrans-78.8-24.3174.3-70.6178000114.2N2877 F2882 G2939N2877-L2937 HydrophobicContact CB-CD1 4.42Å; N2877-L2937 VanDerWaalsContact O-CD1 3.23Å; N2877-L2937 WeakPolarHBondContact O-CD1 3.19Å; F2882-L2937 HydrophobicContact CE2-CD2 3.66Å; F2882-L2937 HydrophobicContact CE2-CG 4.22Å; F2882-L2937 HydrophobicContact CZ-CD2 4.27Å; L2937-G2939 VanDerWaalsContact C-N 3.33Å
2938A80.4Confident89.4Confident63 Ų6338.3 Ų38.352%0.52122%0.22SC..SBendtrans-82.1-15.3178.400000113.3N2840 D2936N2840-A2938 HydrophobicContact CB-CB 4.35Å; N2840-A2938 VanDerWaalsContact OD1-CB 3.27Å; N2840-A2938 WeakPolarHBondContact OD1-CB 3.15Å; D2936-A2938 PolarHBondContact OD1-N 2.84Å; D2936-A2938 PolarHBondContact OD2-N 3.27Å
2939G81.3Confident89.3Confident53 Ų5338.7 Ų38.755%0.54622%0.221SC..SBendtrans96.110.4-178.700000114.4D2936 L2937D2936-G2939 WeakPolarHBondContact OD1-CA 3.45Å; D2936-G2939 PolarHBondContact OD1-N 2.86Å; L2937-G2939 VanDerWaalsContact C-N 3.33Å
2940H86.1Confident89.1Confident70 Ų7037.7 Ų37.732%0.32422%0.215SC..  trans-65.6150.3166-54122.8000110.3N2840 P2843 R2935 D2936N2840-H2940 PolarHBondContact OD1-CE1 2.72Å; N2840-H2940 PolarHBondContact OD1-ND1 3.49Å; P2843-H2940 HydrophobicContact CB-CB 3.85Å; R2935-H2940 VanDerWaalsContact CA-O 3.29Å; R2935-H2940 WeakPolarHBondContact CA-O 3.3Å; D2936-H2940 PolarHBondContact N-O 3.1Å; D2936-H2940 VanDerWaalsContact N-O 3.12Å; D2936-H2940 IonicContact OD1-CG 2.68Å; D2936-H2940 PolarHBondContact OD1-N 2.89Å; D2936-H2940 IonicContact OD1-ND1 3.24Å; D2936-H2940 WeakPolarHBondContact OD2-CB 3.29Å; D2936-H2940 IonicContact OD2-CE1 3.31Å; D2936-H2940 IonicContact OD2-CG 2.77Å; D2936-H2940 IonicContact OD2-ND1 3.81Å; D2936-H2940 PolarHBondContact OD2-ND1 2.71Å
2941N90.7Very high88.6Confident91 Ų9137.7 Ų37.749%0.48722%0.215SC..EExtended strand (participates in β ladder)trans-150.9153.7-178.167.1-1.2000114.3V2933 A2934 R2935V2933-N2941 HydrophobicContact CG2-CB 3.93Å; A2934-N2941 WeakPolarHBondContact O-CA 3.39Å; A2934-N2941 VanDerWaalsContact O-CB 3.27Å; A2934-N2941 WeakPolarHBondContact O-CB 3.31Å; R2935-N2941 HydrophobicContact CG-CB 3.95Å
2942D92.3Very high87.9Confident51.5 Ų51.540.9 Ų40.928%0.27522%0.224SC..EExtended strand (participates in β ladder)trans-130.7158.7168.4-171.825000109.6P2844 R2845 F2846 V2933 A2934P2844-D2942 WeakPolarHBondContact O-CB 3.21Å; R2845-D2942 WeakPolarHBondContact CA-OD2 3.29Å; F2846-D2942 HydrophobicContact CD2-CB 4.25Å; F2846-D2942 WeakPolarHBondContact CE2-O 3.24Å; F2846-D2942 PolarHBondContact N-OD2 3.11Å; V2933-D2942 WeakPolarHBondContact CA-O 3.41Å; V2933-D2942 WeakPolarHBondContact CG2-O 3.28Å; A2934-D2942 PolarHBondContact N-O 2.88Å; A2934-D2942 PolarHBondContact O-N 3.06Å; A2934-D2942 VanDerWaalsContact O-N 3.08Å
2943T92.3Very high86.9Confident81 Ų8144.3 Ų44.350%0.49724%0.242SC..EExtended strand (participates in β ladder)trans-132135-176.456.10000111.6L2886 I2932 V2933L2886-T2943 HydrophobicContact CD1-CG2 3.87Å; I2932-T2943 VanDerWaalsContact O-CA 3.27Å; I2932-T2943 WeakPolarHBondContact O-CA 3.44Å; V2933-T2943 HydrophobicContact CB-CG2 4.32Å; V2933-T2943 HydrophobicContact CG2-CG2 4.14Å
2944A91.5Very high86.1Confident2.5 Ų2.548.4 Ų48.42%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-131.3168.2175.100000110.7F2846 A2849 Y2851 I2932F2846-A2944 HydrophobicContact CB-CB 4.02Å; F2846-A2944 HydrophobicContact CD1-CB 4.2Å; F2846-A2944 HydrophobicContact CD2-CB 3.5Å; F2846-A2944 VanDerWaalsContact CD2-CB 3.41Å; F2846-A2944 HydrophobicContact CE2-CB 3.92Å; F2846-A2944 HydrophobicContact CG-CB 3.64Å; F2846-A2944 HydrophobicContact CZ-CB 4.44Å; A2849-A2944 WeakPolarHBondContact O-CA 2.96Å; A2849-A2944 WeakPolarHBondContact O-CB 3.19Å; Y2851-A2944 HydrophobicContact CD2-CB 4.31Å; Y2851-A2944 HydrophobicContact CE2-CB 3.99Å; I2932-A2944 HydrophobicContact CD1-CB 4.11Å; I2932-A2944 HydrophobicContact CG1-CB 4.01Å; I2932-A2944 WeakPolarHBondContact CG1-O 3.35Å; I2932-A2944 PolarHBondContact N-O 3.26Å; I2932-A2944 PolarHBondContact O-N 3.1Å
2945I90.9Very high85.6Confident68.5 Ų68.550.1 Ų50.135%0.35127%0.272SS..EExtended strand (participates in β ladder)trans-119.8134.4-176.5-57.3178.4000109.6A2849 E2850 Y2851 V2929 V2930A2849-I2945 PolarHBondContact O-N 3.18Å; A2849-I2945 VanDerWaalsContact O-N 3.13Å; E2850-I2945 CarbonylContact C-O 3.55Å; E2850-I2945 WeakPolarHBondContact CA-O 3.28Å; Y2851-I2945 PolarHBondContact N-O 2.82Å; V2929-I2945 HydrophobicContact CG1-CG2 3.32Å; V2930-I2945 CarbonylContact O-C 3.59Å
2946I90Very high85.3Confident0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-110.9117.2173.2-45177.7000110.3Y2851 I2866 V2868 M2907 L2914 V2929 V2930 I2932 I2948Y2851-I2946 CarbonylContact O-C 3.55Å; Y2851-I2946 VanDerWaalsContact O-CA 3.3Å; Y2851-I2946 WeakPolarHBondContact O-CA 3.16Å; I2866-I2946 HydrophobicContact CG2-CD1 4.33Å; I2866-I2946 HydrophobicContact CG2-CG2 4.07Å; V2868-I2946 HydrophobicContact CG1-CD1 3.82Å; V2868-I2946 HydrophobicContact CG1-CG1 4.3Å; M2907-I2946 HydrophobicContact CE-CD1 4.01Å; L2914-I2946 HydrophobicContact CD2-CD1 4.04Å; V2929-I2946 CarbonylContact C-O 3.45Å; V2929-I2946 WeakPolarHBondContact CA-O 3.17Å; V2930-I2946 HydrophobicContact CB-CB 4.21Å; V2930-I2946 PolarHBondContact N-O 2.96Å; V2930-I2946 PolarHBondContact O-N 2.75Å; I2932-I2946 HydrophobicContact CD1-CD1 4.02Å; I2932-I2946 HydrophobicContact CD1-CG1 4.01Å; I2932-I2946 HydrophobicContact CG1-CD1 4.48Å; I2932-I2946 HydrophobicContact CG1-CG1 4.28Å; I2932-I2946 HydrophobicContact CG2-CD1 3.84Å; I2932-I2946 HydrophobicContact CG2-CG1 4.21Å; I2946-I2948 HydrophobicContact CG2-CD1 4.34Å; I2946-I2948 HydrophobicContact CG2-CG1 3.86Å
2947G87.9Confident85.2Confident8.5 Ų8.545.8 Ų45.89%0.08826%0.255CS..EExtended strand (participates in β ladder)trans-90.7114171.200000112.2Y2851 T2852 A2853 F2928Y2851-G2947 PolarHBondContact O-N 3.24Å; T2852-G2947 CarbonylContact C-O 3.45Å; T2852-G2947 VanDerWaalsContact CA-O 3.28Å; T2852-G2947 WeakPolarHBondContact CA-O 3.39Å; A2853-G2947 PolarHBondContact N-O 3.17Å; F2928-G2947 CarbonylContact O-C 3.53Å; F2928-G2947 VanDerWaalsContact O-CA 3.3Å; F2928-G2947 WeakPolarHBondContact O-CA 3.34Å
2948I88.8Confident85.4Confident0 Ų042.1 Ų42.10%024%0.235CC..EExtended strand (participates in β ladder)trans-111.8113.8-175.9-54.5167.7000109.8A2853 V2855 L2865 F2905 L2914 Y2927 F2928 V2930 I2946A2853-I2948 CarbonylContact O-C 3.54Å; A2853-I2948 VanDerWaalsContact O-CA 3.28Å; A2853-I2948 WeakPolarHBondContact O-CA 3.44Å; V2855-I2948 HydrophobicContact CB-CG2 4.01Å; V2855-I2948 HydrophobicContact CG1-CG2 3.74Å; L2865-I2948 HydrophobicContact CD1-CD1 4.33Å; L2865-I2948 HydrophobicContact CD1-CG2 4.42Å; F2905-I2948 HydrophobicContact CD1-CD1 4.02Å; F2905-I2948 HydrophobicContact CD2-CD1 4.01Å; F2905-I2948 HydrophobicContact CE1-CD1 3.68Å; F2905-I2948 HydrophobicContact CE1-CG2 4.19Å; F2905-I2948 HydrophobicContact CE2-CD1 3.68Å; F2905-I2948 HydrophobicContact CG-CD1 4.19Å; F2905-I2948 HydrophobicContact CZ-CB 4.26Å; F2905-I2948 HydrophobicContact CZ-CD1 3.5Å; F2905-I2948 VanDerWaalsContact CZ-CD1 3.48Å; F2905-I2948 HydrophobicContact CZ-CG1 4.47Å; F2905-I2948 HydrophobicContact CZ-CG2 3.99Å; L2914-I2948 HydrophobicContact CD2-CD1 3.37Å; L2914-I2948 HydrophobicContact CD2-CG1 4.43Å; Y2927-I2948 CarbonylContact C-O 3.53Å; Y2927-I2948 VanDerWaalsContact CA-O 3.24Å; Y2927-I2948 WeakPolarHBondContact CA-O 3.4Å; Y2927-I2948 WeakPolarHBondContact CB-O 3.33Å; F2928-I2948 HydrophobicContact CB-CB 4.27Å; F2928-I2948 PolarHBondContact N-O 3.44Å; F2928-I2948 PolarHBondContact O-N 2.86Å; V2930-I2948 HydrophobicContact CG2-CD1 3.62Å; V2930-I2948 HydrophobicContact CG2-CG1 4.48Å; I2946-I2948 HydrophobicContact CG2-CD1 4.34Å; I2946-I2948 HydrophobicContact CG2-CG1 3.86Å
2949Y86.7Confident85.8Confident8 Ų839.1 Ų39.13%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-95.8130.2-174.4-63.6-87000111.2T2852 A2853 G2854 V2855 Y2927 L2951 H3012 V3014 I3021T2852-Y2949 HydrophobicContact CG2-CE2 3.99Å; A2853-Y2949 PolarHBondContact O-N 2.84Å; G2854-Y2949 CarbonylContact C-O 3.48Å; G2854-Y2949 WeakPolarHBondContact CA-O 3.29Å; V2855-Y2949 PolarHBondContact N-O 3.12Å; Y2927-Y2949 VanDerWaalsContact CB-CD1 3.47Å; Y2927-Y2949 HydrophobicContact CD1-CE1 4.22Å; Y2927-Y2949 HydrophobicContact CD2-CE1 4.47Å; Y2927-Y2949 HydrophobicContact CG-CD1 4.23Å; Y2927-Y2949 AromaticContact CG-CE1 3.88Å; Y2927-Y2949 HydrophobicContact CG-CE1 3.95Å; Y2949-L2951 PolarHBondContact O-N 3.42Å; Y2949-H3012 AromaticContact CD2-NE2 3.94Å; Y2949-V3014 HydrophobicContact CD1-CG2 4.16Å; Y2949-V3014 HydrophobicContact CD2-CG2 4.06Å; Y2949-V3014 HydrophobicContact CE1-CG1 3.78Å; Y2949-V3014 HydrophobicContact CE1-CG2 4.1Å; Y2949-V3014 HydrophobicContact CE2-CG1 4.47Å; Y2949-V3014 HydrophobicContact CE2-CG2 4.01Å; Y2949-V3014 HydrophobicContact CG-CG2 4.16Å; Y2949-I3021 HydrophobicContact CD1-CG1 4.21Å
2950I85.5Confident86.2Confident6 Ų636.9 Ų36.93%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-76.7113.9174-58.2167.9000108.3V2855 T2857 Y2890 F2920 Y2923 S2924 G2926 F2928V2855-I2950 HydrophobicContact CG1-CG1 4.15Å; V2855-I2950 CarbonylContact O-C 3.51Å; V2855-I2950 WeakPolarHBondContact O-CA 3.3Å; T2857-I2950 HydrophobicContact CG2-CG2 3.61Å; Y2890-I2950 HydrophobicContact CE2-CD1 3.88Å; F2920-I2950 HydrophobicContact CD1-CG1 4.45Å; Y2923-I2950 VanDerWaalsContact CB-CD1 3.48Å; Y2923-I2950 HydrophobicContact CG-CD1 4.37Å; S2924-I2950 WeakPolarHBondContact O-CD1 3.44Å; G2926-I2950 PolarHBondContact O-N 2.99Å; G2926-I2950 VanDerWaalsContact O-N 3.12Å; F2928-I2950 HydrophobicContact CD2-CG1 4.34Å; F2928-I2950 HydrophobicContact CE2-CD1 3.76Å; F2928-I2950 HydrophobicContact CE2-CG1 3.86Å; F2928-I2950 HydrophobicContact CZ-CD1 4.33Å
2951L80.6Confident86.4Confident0.5 Ų0.533.6 Ų33.60%0.00317%0.17CC..EExtended strand (participates in β ladder)trans-100.7138.6-175.3-63.2175000112.1V2855 T2857 Y2949 D2990 H3012 I3021V2855-L2951 PolarHBondContact O-N 2.99Å; T2857-L2951 PolarHBondContact N-O 2.82Å; T2857-L2951 VanDerWaalsContact N-O 3.08Å; Y2949-L2951 PolarHBondContact O-N 3.42Å; L2951-D2990 VanDerWaalsContact CD1-CG 3.46Å; L2951-D2990 VanDerWaalsContact CD1-OD1 3.29Å; L2951-D2990 WeakPolarHBondContact CD1-OD1 3.39Å; L2951-D2990 WeakPolarHBondContact CD1-OD2 3.3Å; L2951-H3012 HydrophobicContact CD2-CB 3.83Å; L2951-I3021 HydrophobicContact CD2-CD1 3.86Å; L2951-I3021 HydrophobicContact CD2-CG1 4.45Å
2952R77.2Confident86.3Confident109.5 Ų109.532.4 Ų32.441%0.41316%0.164SC..  trans-104.5155.3160.9-62.1-176.3-115.1-138.4-2.5109.9T2857 D2954 Q2955T2857-R2952 HydrophobicContact CG2-CG 4.24Å; R2952-D2954 WeakPolarHBondContact CB-OD1 3.43Å; R2952-D2954 IonicContact CZ-OD1 3.42Å; R2952-D2954 IonicContact CZ-OD2 3.6Å; R2952-D2954 IonicContact NE-OD1 2.7Å; R2952-D2954 PolarHBondContact NE-OD1 2.93Å; R2952-D2954 IonicContact NE-OD2 3.87Å; R2952-D2954 IonicContact NH2-OD1 3.87Å; R2952-D2954 PolarHBondContact NH2-OD1 2.79Å; R2952-D2954 IonicContact NH2-OD2 2.75Å; R2952-D2954 PolarHBondContact NH2-OD2 2.9Å; R2952-D2954 PolarHBondContact O-N 2.8Å; R2952-Q2955 HydrophobicContact CB-CG 4.32Å; R2952-Q2955 VanDerWaalsContact N-OE1 3.16Å; R2952-Q2955 WeakPolarHBondContact O-CB 3.42Å; R2952-Q2955 PolarHBondContact O-N 2.92Å
2953D72.9Confident86.2Confident73 Ų7332.2 Ų32.239%0.3916%0.161SC..G310 helixtrans-64.2-23.3-176.7-61.1-39.5000114Q2955 R2956 I3054D2953-Q2955 PolarHBondContact O-N 3.34Å; D2953-R2956 IonicContact OD1-CZ 3.53Å; D2953-R2956 IonicContact OD1-NH1 3.24Å; D2953-R2956 PolarHBondContact OD1-NH1 2.97Å; D2953-I3054 HydrophobicContact CB-CD1 3.38Å; D2953-I3054 HydrophobicContact CB-CG1 3.89Å
2954D77Confident86Confident93.5 Ų93.531.5 Ų31.550%0.515%0.154SC..G310 helixtrans-73.3-6.7174.566.4-37000113.6R2952 V3024R2952-D2954 WeakPolarHBondContact CB-OD1 3.43Å; R2952-D2954 IonicContact CZ-OD1 3.42Å; R2952-D2954 IonicContact CZ-OD2 3.6Å; R2952-D2954 IonicContact NE-OD1 2.7Å; R2952-D2954 PolarHBondContact NE-OD1 2.93Å; R2952-D2954 IonicContact NE-OD2 3.87Å; R2952-D2954 IonicContact NH2-OD1 3.87Å; R2952-D2954 PolarHBondContact NH2-OD1 2.79Å; R2952-D2954 IonicContact NH2-OD2 2.75Å; R2952-D2954 PolarHBondContact NH2-OD2 2.9Å; R2952-D2954 PolarHBondContact O-N 2.8Å; D2954-V3024 WeakPolarHBondContact O-CG2 3.16Å
2955Q82Confident85.7Confident37 Ų3731.6 Ų31.617%0.17316%0.155CC..G310 helixtrans-1030.1-177.8-55.1-178.2-69.700113.5R2952 D2953 I3021R2952-Q2955 HydrophobicContact CB-CG 4.32Å; R2952-Q2955 VanDerWaalsContact N-OE1 3.16Å; R2952-Q2955 WeakPolarHBondContact O-CB 3.42Å; R2952-Q2955 PolarHBondContact O-N 2.92Å; D2953-Q2955 PolarHBondContact O-N 3.34Å; Q2955-I3021 HydrophobicContact CB-CG2 4Å
2956R84.6Confident85.4Confident39 Ų3933.7 Ų33.715%0.14717%0.166CC..  trans-97.2139.3-177-65.9-179.2174.5159.2-1.7111.9D2953 D2990 I3011 A3053D2953-R2956 IonicContact OD1-CZ 3.53Å; D2953-R2956 IonicContact OD1-NH1 3.24Å; D2953-R2956 PolarHBondContact OD1-NH1 2.97Å; R2956-D2990 WeakPolarHBondContact CG-OD2 3.01Å; R2956-D2990 IonicContact CZ-OD2 3.87Å; R2956-D2990 IonicContact NE-OD2 3.08Å; R2956-D2990 PolarHBondContact NE-OD2 2.94Å; R2956-D2990 IonicContact NH2-OD2 2.96Å; R2956-I3011 WeakPolarHBondContact CA-O 3.48Å; R2956-A3053 HydrophobicContact CB-CB 3.53Å; R2956-A3053 VanDerWaalsContact O-CB 3.29Å; R2956-A3053 WeakPolarHBondContact O-CB 3.37Å; R2956-A3053 PolarHBondContact O-N 2.92Å
2957V86.9Confident85.2Confident1 Ų141 Ų411%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-104.9131.6171.9-174.50000108.5I3011 V3024 V3027 V3050 Q3051V2957-I3011 HydrophobicContact CB-CD1 4.43Å; V2957-I3011 HydrophobicContact CB-CG1 3.89Å; V2957-I3011 PolarHBondContact N-O 3.35Å; V2957-I3011 PolarHBondContact O-N 2.95Å; V2957-V3024 HydrophobicContact CG2-CG1 4.12Å; V2957-V3024 HydrophobicContact CG2-CG2 4.13Å; V2957-V3027 HydrophobicContact CG2-CB 4.17Å; V2957-V3027 HydrophobicContact CG2-CG1 3.92Å; V2957-V3050 HydrophobicContact CG1-CG1 3.72Å; V2957-Q3051 WeakPolarHBondContact CG1-O 3.36Å
2958K87.3Confident85.1Confident28.5 Ų28.540.6 Ų40.612%0.12419%0.19CC..EExtended strand (participates in β ladder)trans-100.3117177.9172.8170.5113.71650109.7V2960 E3008 L3010 V3050 Q3051K2958-V2960 HydrophobicContact CG-CG2 4.36Å; K2958-E3008 HydrophobicContact CD-CG 4.05Å; K2958-E3008 WeakPolarHBondContact CD-OE2 3.42Å; K2958-E3008 VanDerWaalsContact CE-OE1 3.29Å; K2958-E3008 WeakPolarHBondContact CE-OE1 3.05Å; K2958-E3008 VanDerWaalsContact CE-OE2 3.28Å; K2958-E3008 WeakPolarHBondContact CE-OE2 3.45Å; K2958-E3008 HydrophobicContact CG-CG 4.19Å; K2958-E3008 IonicContact NZ-OE1 2.55Å; K2958-E3008 PolarHBondContact NZ-OE1 3.42Å; K2958-E3008 IonicContact NZ-OE2 3.37Å; K2958-E3008 PolarHBondContact NZ-OE2 3.42Å; K2958-L3010 HydrophobicContact CB-CD2 3.86Å; K2958-V3050 WeakPolarHBondContact O-CA 3.32Å; K2958-Q3051 HydrophobicContact CB-CG 4.16Å; K2958-Q3051 HydrophobicContact CD-CG 4.35Å; K2958-Q3051 HydrophobicContact CG-CG 4.07Å; K2958-Q3051 PolarHBondContact N-O 3.34Å; K2958-Q3051 PolarHBondContact O-N 3.42Å
2959I88.8Confident84.9Confident0 Ų047.5 Ų47.50%022%0.216CC..EExtended strand (participates in β ladder)trans-104.3122.3173.4-59.2-179.1000108I2961 F2975 L2979 L3009 I3011 V3047 V3050I2959-I2961 HydrophobicContact CG2-CD1 4.46Å; I2959-I2961 HydrophobicContact CG2-CG1 4.07Å; I2959-F2975 HydrophobicContact CD1-CE1 4.05Å; I2959-F2975 HydrophobicContact CD1-CZ 4.32Å; I2959-F2975 HydrophobicContact CG2-CZ 4.33Å; I2959-L2979 HydrophobicContact CD1-CD2 4.31Å; I2959-L3009 HydrophobicContact CB-CB 4.28Å; I2959-L3009 PolarHBondContact N-O 3.23Å; I2959-L3009 PolarHBondContact O-N 2.83Å; I2959-I3011 HydrophobicContact CD1-CD1 3.65Å; I2959-I3011 HydrophobicContact CD1-CG1 4.31Å; I2959-I3011 HydrophobicContact CG1-CD1 4.36Å; I2959-V3047 HydrophobicContact CG2-CG1 3.69Å; I2959-V3047 HydrophobicContact CG2-CG2 4.27Å; I2959-V3050 HydrophobicContact CG1-CG1 4.26Å; I2959-V3050 HydrophobicContact CG1-CG2 4.23Å; I2959-V3050 HydrophobicContact CG2-CG2 4.42Å
2960V89.3Confident84.6Confident6 Ų650.6 Ų50.64%0.03625%0.25CC..EExtended strand (participates in β ladder)trans-97.2123.5178.7-173.10000109.3K2958 H2995 T3007 E3008 L3048 D3049K2958-V2960 HydrophobicContact CG-CG2 4.36Å; V2960-H2995 HydrophobicContact CG1-CB 4.46Å; V2960-T3007 WeakPolarHBondContact CA-O 3.27Å; V2960-E3008 HydrophobicContact CG2-CG 4.48Å; V2960-L3048 HydrophobicContact CB-CB 4.45Å; V2960-L3048 HydrophobicContact CG1-CB 4.42Å; V2960-L3048 HydrophobicContact CG1-CD1 4.23Å; V2960-L3048 PolarHBondContact O-N 2.82Å; V2960-D3049 HydrophobicContact CB-CB 4.39Å; V2960-D3049 HydrophobicContact CG2-CB 4.44Å; V2960-D3049 PolarHBondContact N-O 2.82Å
2961I90.3Very high84.6Confident0 Ų052.2 Ų52.20%026%0.257CS..EExtended strand (participates in β ladder)trans-116.8133-176.3-58.1-179.4000109.4I2959 E2963 V2968 F2971 Q3006 T3007 L3009 Y3045 V3047I2959-I2961 HydrophobicContact CG2-CD1 4.46Å; I2959-I2961 HydrophobicContact CG2-CG1 4.07Å; I2961-E2963 HydrophobicContact CG2-CB 4.14Å; I2961-E2963 PolarHBondContact O-N 3.26Å; I2961-E2963 VanDerWaalsContact O-N 3.07Å; I2961-V2968 HydrophobicContact CB-CG2 4.24Å; I2961-V2968 HydrophobicContact CD1-CG1 3.96Å; I2961-V2968 HydrophobicContact CD1-CG2 4.32Å; I2961-V2968 HydrophobicContact CG2-CG2 3.94Å; I2961-F2971 HydrophobicContact CD1-CE2 4.4Å; I2961-F2971 HydrophobicContact CG2-CZ 4.22Å; I2961-Q3006 CarbonylContact O-C 3.49Å; I2961-Q3006 VanDerWaalsContact O-CA 3.27Å; I2961-Q3006 WeakPolarHBondContact O-CA 3.19Å; I2961-T3007 PolarHBondContact N-O 2.6Å; I2961-T3007 PolarHBondContact O-N 2.94Å; I2961-L3009 HydrophobicContact CD1-CB 4.22Å; I2961-L3009 HydrophobicContact CD1-CD2 4.05Å; I2961-Y3045 WeakPolarHBondContact CG2-O 3.44Å; I2961-V3047 HydrophobicContact CG1-CG2 4.28Å
2962N90.4Very high84.7Confident65.5 Ų65.554.1 Ų54.135%0.3527%0.266SS..SBendtrans-83.857.9177.7-161.980.1000112.6A3005 Q3006 N3046 L3048N2962-A3005 CarbonylContact C-O 3.39Å; N2962-Q3006 HydrophobicContact CB-CG 4.43Å; N2962-Q3006 PolarHBondContact OD1-NE2 3.4Å; N2962-N3046 HydrophobicContact CB-CB 4.21Å; N2962-N3046 PolarHBondContact N-O 2.82Å; N2962-L3048 HydrophobicContact CB-CD1 3.85Å; N2962-L3048 HydrophobicContact CB-CD2 4.03Å; N2962-L3048 HydrophobicContact CB-CG 3.89Å
2963E89.3Confident84.9Confident47.5 Ų47.555.5 Ų55.522%0.22228%0.276CS..SBendtrans-149.7165.3173.8-123.5-3.7-157.400109.5I2961 R2967 V2968 A3005 Q3006 T3007I2961-E2963 HydrophobicContact CG2-CB 4.14Å; I2961-E2963 PolarHBondContact O-N 3.26Å; I2961-E2963 VanDerWaalsContact O-N 3.07Å; E2963-R2967 HydrophobicContact CB-CB 4.34Å; E2963-R2967 VanDerWaalsContact CD-CD 3.44Å; E2963-R2967 HydrophobicContact CG-CB 3.4Å; E2963-R2967 HydrophobicContact CG-CG 3.9Å; E2963-R2967 WeakPolarHBondContact OE1-CD 3.48Å; E2963-R2967 WeakPolarHBondContact OE1-CG 3.32Å; E2963-R2967 IonicContact OE1-CZ 3.09Å; E2963-R2967 IonicContact OE1-NE 3.97Å; E2963-R2967 PolarHBondContact OE1-NE 3.21Å; E2963-R2967 VanDerWaalsContact OE1-NE 3.08Å; E2963-R2967 IonicContact OE1-NH1 2.68Å; E2963-R2967 PolarHBondContact OE1-NH1 2.84Å; E2963-R2967 WeakPolarHBondContact OE2-CD 3.28Å; E2963-R2967 IonicContact OE2-NE 2.77Å; E2963-R2967 IonicContact OE2-NH1 3.15Å; E2963-V2968 HydrophobicContact CB-CG2 4.15Å; E2963-A3005 PolarHBondContact N-O 2.83Å; E2963-Q3006 CarbonylContact O-C 3.45Å; E2963-T3007 WeakPolarHBondContact O-CB 3.14Å; E2963-T3007 PolarHBondContact O-N 2.93Å; E2963-T3007 PolarHBondContact O-OG1 3.47Å
2964I87.6Confident85.3Confident67 Ų6756.3 Ų56.334%0.34428%0.278SS..  trans-75.9152.3176.964.7175.2000112.2D2966 R2967 V2968 F3004 T3007I2964-D2966 VanDerWaalsContact C-N 3.29Å; I2964-D2966 PolarHBondContact O-N 3.32Å; I2964-R2967 HydrophobicContact CD1-CG 4.23Å; I2964-R2967 HydrophobicContact CG1-CB 3.93Å; I2964-R2967 HydrophobicContact CG1-CG 3.8Å; I2964-R2967 WeakPolarHBondContact O-CB 3.16Å; I2964-R2967 PolarHBondContact O-N 2.83Å; I2964-V2968 PolarHBondContact O-N 2.92Å; I2964-V2968 VanDerWaalsContact O-N 3.1Å; I2964-F3004 WeakPolarHBondContact CG2-O 3.1Å; I2964-T3007 VanDerWaalsContact C-OG1 3.25Å
2965P86.4Confident85.7Confident5.5 Ų5.551.8 Ų51.84%0.03625%0.254CS..Hα-helixtrans-55.1-39-175.6-30.236.6000114.2R2967 V2968 R2969 V2992 F2994 T3007P2965-R2967 VanDerWaalsContact C-N 3.31Å; P2965-R2967 PolarHBondContact O-N 3.24Å; P2965-V2968 PolarHBondContact O-N 3.03Å; P2965-R2969 WeakPolarHBondContact O-CG 3.38Å; P2965-R2969 PolarHBondContact O-N 3.19Å; P2965-V2992 HydrophobicContact CB-CG1 4.25Å; P2965-F2994 HydrophobicContact CG-CD1 3.66Å; P2965-F2994 HydrophobicContact CG-CD2 4.09Å; P2965-F2994 HydrophobicContact CG-CE1 3.63Å; P2965-F2994 HydrophobicContact CG-CE2 4.03Å; P2965-F2994 HydrophobicContact CG-CG 3.91Å; P2965-F2994 HydrophobicContact CG-CZ 3.81Å; P2965-T3007 WeakPolarHBondContact CA-OG1 3.47Å; P2965-T3007 HydrophobicContact CB-CG2 4.38Å; P2965-T3007 VanDerWaalsContact CD-OG1 3.31Å; P2965-T3007 WeakPolarHBondContact CD-OG1 3.4Å; P2965-T3007 HydrophobicContact CG-CG2 4.25Å; P2965-T3007 VanDerWaalsContact N-OG1 3.09Å
2966D84.3Confident85.9Confident111 Ų11151 Ų5159%0.59425%0.251SS*.Hα-helixtrans-65.2-34.1179.7-60.8-35.8000112.9I2964 R2969 G2970I2964-D2966 VanDerWaalsContact C-N 3.29Å; I2964-D2966 PolarHBondContact O-N 3.32Å; D2966-R2969 IonicContact OD1-CZ 2.76Å; D2966-R2969 IonicContact OD1-NH1 3.58Å; D2966-R2969 PolarHBondContact OD1-NH1 3.13Å; D2966-G2970 PolarHBondContact O-N 3.19Å
2967R85Confident85.7Confident154.5 Ų154.556.7 Ų56.758%0.58327%0.272SS*.Hα-helixtrans-72.1-41.1172.8-81.6-143.2-170.7-163.9-0.1111.3E2963 I2964 P2965 G2970 F2971E2963-R2967 HydrophobicContact CB-CB 4.34Å; E2963-R2967 VanDerWaalsContact CD-CD 3.44Å; E2963-R2967 HydrophobicContact CG-CB 3.4Å; E2963-R2967 HydrophobicContact CG-CG 3.9Å; E2963-R2967 WeakPolarHBondContact OE1-CD 3.48Å; E2963-R2967 WeakPolarHBondContact OE1-CG 3.32Å; E2963-R2967 IonicContact OE1-CZ 3.09Å; E2963-R2967 IonicContact OE1-NE 3.97Å; E2963-R2967 PolarHBondContact OE1-NE 3.21Å; E2963-R2967 VanDerWaalsContact OE1-NE 3.08Å; E2963-R2967 IonicContact OE1-NH1 2.68Å; E2963-R2967 PolarHBondContact OE1-NH1 2.84Å; E2963-R2967 WeakPolarHBondContact OE2-CD 3.28Å; E2963-R2967 IonicContact OE2-NE 2.77Å; E2963-R2967 IonicContact OE2-NH1 3.15Å; I2964-R2967 HydrophobicContact CD1-CG 4.23Å; I2964-R2967 HydrophobicContact CG1-CB 3.93Å; I2964-R2967 HydrophobicContact CG1-CG 3.8Å; I2964-R2967 WeakPolarHBondContact O-CB 3.16Å; I2964-R2967 PolarHBondContact O-N 2.83Å; P2965-R2967 VanDerWaalsContact C-N 3.31Å; P2965-R2967 PolarHBondContact O-N 3.24Å; R2967-G2970 PolarHBondContact O-N 3.32Å; R2967-G2970 VanDerWaalsContact O-N 3.11Å; R2967-F2971 WeakPolarHBondContact O-CD1 3.39Å; R2967-F2971 VanDerWaalsContact O-CE1 3.29Å; R2967-F2971 WeakPolarHBondContact O-CE1 3.27Å
2968V86.4Confident85.5Confident0 Ų059.2 Ų59.20%029%0.285CS..Hα-helixtrans-60.8-47.1177.5176.20000110.6I2961 E2963 I2964 P2965 G2970 F2971 E2972 V2992 T3007I2961-V2968 HydrophobicContact CB-CG2 4.24Å; I2961-V2968 HydrophobicContact CD1-CG1 3.96Å; I2961-V2968 HydrophobicContact CD1-CG2 4.32Å; I2961-V2968 HydrophobicContact CG2-CG2 3.94Å; E2963-V2968 HydrophobicContact CB-CG2 4.15Å; I2964-V2968 PolarHBondContact O-N 2.92Å; I2964-V2968 VanDerWaalsContact O-N 3.1Å; P2965-V2968 PolarHBondContact O-N 3.03Å; V2968-G2970 PolarHBondContact O-N 3.25Å; V2968-G2970 VanDerWaalsContact O-N 3.15Å; V2968-F2971 HydrophobicContact CB-CZ 4.25Å; V2968-F2971 HydrophobicContact CG1-CE2 4.41Å; V2968-F2971 HydrophobicContact CG1-CZ 4.45Å; V2968-F2971 HydrophobicContact CG2-CE1 4.41Å; V2968-F2971 HydrophobicContact CG2-CZ 3.91Å; V2968-F2971 CarbonylContact O-C 3.58Å; V2968-F2971 PolarHBondContact O-N 3.06Å; V2968-E2972 WeakPolarHBondContact O-CB 3.37Å; V2968-E2972 PolarHBondContact O-N 3.28Å; V2968-V2992 HydrophobicContact CB-CG1 4.3Å; V2968-V2992 HydrophobicContact CG1-CG1 4.05Å; V2968-T3007 HydrophobicContact CB-CG2 4.13Å; V2968-T3007 HydrophobicContact CG1-CG2 4.2Å; V2968-T3007 HydrophobicContact CG2-CG2 3.94Å
2969R83.6Confident85.4Confident145.5 Ų145.558 Ų5855%0.54928%0.28SS..Hα-helixtrans-53.8-34.3173.1-73.2173179.6162.5-2.3112.8P2965 D2966 F2971 V2992P2965-R2969 WeakPolarHBondContact O-CG 3.38Å; P2965-R2969 PolarHBondContact O-N 3.19Å; D2966-R2969 IonicContact OD1-CZ 2.76Å; D2966-R2969 IonicContact OD1-NH1 3.58Å; D2966-R2969 PolarHBondContact OD1-NH1 3.13Å; R2969-F2971 VanDerWaalsContact C-N 3.29Å; R2969-F2971 PolarHBondContact O-N 2.89Å; R2969-V2992 HydrophobicContact CG-CB 4.5Å; R2969-V2992 HydrophobicContact CG-CG1 4.34Å
2970G81.1Confident85.2Confident72.5 Ų72.559.7 Ų59.775%0.74729%0.292SS*.Hα-helixtrans-68.5-22.8178.100000115.6D2966 R2967 V2968D2966-G2970 PolarHBondContact O-N 3.19Å; R2967-G2970 PolarHBondContact O-N 3.32Å; R2967-G2970 VanDerWaalsContact O-N 3.11Å; V2968-G2970 PolarHBondContact O-N 3.25Å; V2968-G2970 VanDerWaalsContact O-N 3.15Å
2971F85.7Confident84.8Confident40 Ų4065.8 Ų65.818%0.17533%0.325CS..Hα-helixtrans-122.53.2177.962.6-106.7000114.3I2961 R2967 V2968 R2969 E2973 E2974 F2975 Y3045I2961-F2971 HydrophobicContact CD1-CE2 4.4Å; I2961-F2971 HydrophobicContact CG2-CZ 4.22Å; R2967-F2971 WeakPolarHBondContact O-CD1 3.39Å; R2967-F2971 VanDerWaalsContact O-CE1 3.29Å; R2967-F2971 WeakPolarHBondContact O-CE1 3.27Å; V2968-F2971 HydrophobicContact CB-CZ 4.25Å; V2968-F2971 HydrophobicContact CG1-CE2 4.41Å; V2968-F2971 HydrophobicContact CG1-CZ 4.45Å; V2968-F2971 HydrophobicContact CG2-CE1 4.41Å; V2968-F2971 HydrophobicContact CG2-CZ 3.91Å; V2968-F2971 CarbonylContact O-C 3.58Å; V2968-F2971 PolarHBondContact O-N 3.06Å; R2969-F2971 VanDerWaalsContact C-N 3.29Å; R2969-F2971 PolarHBondContact O-N 2.89Å; F2971-E2973 PolarHBondContact O-N 3.07Å; F2971-E2974 PolarHBondContact O-N 3.21Å; F2971-F2975 HydrophobicContact CD2-CB 4.22Å; F2971-F2975 WeakPolarHBondContact O-CB 3.25Å; F2971-F2975 PolarHBondContact O-N 2.85Å; F2971-Y3045 HydrophobicContact CB-CD1 4.41Å; F2971-Y3045 HydrophobicContact CB-CE1 4Å; F2971-Y3045 HydrophobicContact CD1-CD1 4.47Å; F2971-Y3045 AromaticContact CD2-CD1 3.45Å; F2971-Y3045 HydrophobicContact CD2-CD1 3.45Å; F2971-Y3045 VanDerWaalsContact CD2-CD1 3.45Å; F2971-Y3045 AromaticContact CD2-CE1 3.85Å; F2971-Y3045 HydrophobicContact CD2-CE1 3.85Å; F2971-Y3045 HydrophobicContact CD2-CG 4.32Å; F2971-Y3045 AromaticContact CE2-CD1 3.68Å; F2971-Y3045 HydrophobicContact CE2-CD1 3.68Å; F2971-Y3045 HydrophobicContact CE2-CG 4.26Å; F2971-Y3045 AromaticContact CG-CD1 3.89Å; F2971-Y3045 HydrophobicContact CG-CD1 3.89Å; F2971-Y3045 HydrophobicContact CG-CE1 4Å; F2971-Y3045 HydrophobicContact CZ-CD1 4.28Å
2972E83.4Confident84.3Confident40.5 Ų40.567.5 Ų67.519%0.18933%0.333CS..Hα-helixtrans-54.9-52.8-174.9-170.4-164.3137.300112.4V2968 E2974 F2975 I2976 T2989 V2992 L3009V2968-E2972 WeakPolarHBondContact O-CB 3.37Å; V2968-E2972 PolarHBondContact O-N 3.28Å; E2972-E2974 VanDerWaalsContact C-N 3.28Å; E2972-E2974 PolarHBondContact O-N 3.01Å; E2972-F2975 WeakPolarHBondContact O-CB 3.24Å; E2972-F2975 PolarHBondContact O-N 3.18Å; E2972-F2975 VanDerWaalsContact O-N 3.16Å; E2972-I2976 HydrophobicContact CG-CG1 4.31Å; E2972-I2976 WeakPolarHBondContact O-CB 3.42Å; E2972-I2976 VanDerWaalsContact O-CG1 3.27Å; E2972-I2976 WeakPolarHBondContact O-CG1 3.35Å; E2972-I2976 PolarHBondContact O-N 3.07Å; E2972-T2989 HydrophobicContact CG-CG2 4.47Å; E2972-T2989 WeakPolarHBondContact OE1-CB 3.46Å; E2972-T2989 VanDerWaalsContact OE1-CG2 3.3Å; E2972-T2989 WeakPolarHBondContact OE1-CG2 3.42Å; E2972-T2989 PolarHBondContact OE1-OG1 3.27Å; E2972-V2992 WeakPolarHBondContact OE2-CG2 3.24Å; E2972-L3009 HydrophobicContact CG-CD1 4.19Å
2973E79.6Confident83.8Confident137 Ų13765.2 Ų65.264%0.6432%0.322SS*.Hα-helixtrans-58.7-39.2-179.9-75.7-152.1125.600112.4K2848 F2971 R2977K2848-E2973 IonicContact NZ-OE1 3.89Å; K2848-E2973 PolarHBondContact NZ-OE1 2.93Å; F2971-E2973 PolarHBondContact O-N 3.07Å; E2973-R2977 WeakPolarHBondContact O-CB 3.21Å; E2973-R2977 PolarHBondContact O-N 3.15Å
2974E82.2Confident83.4Confident90 Ų9065.5 Ų65.542%0.42134%0.337SS..Hα-helixtrans-69.3-43.5177.7-177.7168-161.300111.4F2971 E2972 R2977 L2978 Y3045F2971-E2974 PolarHBondContact O-N 3.21Å; E2972-E2974 VanDerWaalsContact C-N 3.28Å; E2972-E2974 PolarHBondContact O-N 3.01Å; E2974-R2977 PolarHBondContact O-N 2.85Å; E2974-R2977 IonicContact OE1-NH2 2.69Å; E2974-R2977 PolarHBondContact OE1-NH2 2.89Å; E2974-L2978 HydrophobicContact CG-CD1 4Å; E2974-L2978 HydrophobicContact CG-CG 4.34Å; E2974-L2978 WeakPolarHBondContact O-CB 3.32Å; E2974-L2978 VanDerWaalsContact O-CG 3.26Å; E2974-L2978 WeakPolarHBondContact O-CG 3.43Å; E2974-L2978 PolarHBondContact O-N 2.87Å; E2974-Y3045 WeakPolarHBondContact CG-OH 3.38Å
2975F85.9Confident83.2Confident0.5 Ų0.562.5 Ų62.50%0.00232%0.322CS..Hα-helixtrans-58.9-49176.8179.6-98.1000111.4I2959 F2971 E2972 L2978 L2979 L3009 L3041 F3042 Y3045 V3047I2959-F2975 HydrophobicContact CD1-CE1 4.05Å; I2959-F2975 HydrophobicContact CD1-CZ 4.32Å; I2959-F2975 HydrophobicContact CG2-CZ 4.33Å; F2971-F2975 HydrophobicContact CD2-CB 4.22Å; F2971-F2975 WeakPolarHBondContact O-CB 3.25Å; F2971-F2975 PolarHBondContact O-N 2.85Å; E2972-F2975 WeakPolarHBondContact O-CB 3.24Å; E2972-F2975 PolarHBondContact O-N 3.18Å; E2972-F2975 VanDerWaalsContact O-N 3.16Å; F2975-L2978 PolarHBondContact O-N 2.98Å; F2975-L2979 HydrophobicContact CD1-CD1 3.55Å; F2975-L2979 HydrophobicContact CD2-CD1 4.35Å; F2975-L2979 HydrophobicContact CE1-CD1 3.12Å; F2975-L2979 HydrophobicContact CE2-CD1 4.02Å; F2975-L2979 HydrophobicContact CG-CD1 4.15Å; F2975-L2979 HydrophobicContact CZ-CD1 3.39Å; F2975-L2979 WeakPolarHBondContact O-CB 3.27Å; F2975-L2979 PolarHBondContact O-N 3.1Å; F2975-L3009 HydrophobicContact CD1-CD2 3.82Å; F2975-L3009 HydrophobicContact CE1-CD2 3.64Å; F2975-L3041 HydrophobicContact CD2-CD2 3.61Å; F2975-L3041 HydrophobicContact CE2-CD2 3.29Å; F2975-L3041 HydrophobicContact CZ-CD2 4.04Å; F2975-F3042 HydrophobicContact CZ-CE1 4.43Å; F2975-Y3045 AromaticContact CD2-CD2 3.65Å; F2975-Y3045 HydrophobicContact CD2-CD2 3.65Å; F2975-Y3045 HydrophobicContact CD2-CE2 4.34Å; F2975-Y3045 AromaticContact CD2-CG 3.74Å; F2975-Y3045 HydrophobicContact CD2-CG 3.74Å; F2975-Y3045 HydrophobicContact CE2-CD2 4.29Å; F2975-Y3045 HydrophobicContact CE2-CG 4.37Å; F2975-V3047 HydrophobicContact CE2-CG2 3.62Å; F2975-V3047 HydrophobicContact CZ-CG2 3.84Å
2976I84.9Confident83Confident19 Ų1963.7 Ų63.710%0.09733%0.328CS..Hα-helixtrans-66-42.5179.1-64.6-67000111.2E2972 L2978 L2979 S2980 V2987 L3009 I3011E2972-I2976 HydrophobicContact CG-CG1 4.31Å; E2972-I2976 WeakPolarHBondContact O-CB 3.42Å; E2972-I2976 VanDerWaalsContact O-CG1 3.27Å; E2972-I2976 WeakPolarHBondContact O-CG1 3.35Å; E2972-I2976 PolarHBondContact O-N 3.07Å; I2976-L2978 VanDerWaalsContact C-N 3.32Å; I2976-L2978 PolarHBondContact O-N 3.11Å; I2976-L2979 PolarHBondContact O-N 3.19Å; I2976-S2980 VanDerWaalsContact O-CB 3.28Å; I2976-S2980 WeakPolarHBondContact O-CB 3.26Å; I2976-S2980 PolarHBondContact O-N 2.91Å; I2976-V2987 HydrophobicContact CD1-CG1 3.78Å; I2976-V2987 HydrophobicContact CG2-CB 4.04Å; I2976-V2987 HydrophobicContact CG2-CG1 4.14Å; I2976-V2987 WeakPolarHBondContact CG2-O 3.19Å; I2976-L3009 HydrophobicContact CD1-CD2 4.35Å; I2976-I3011 HydrophobicContact CD1-CG2 3.87Å
2977R81.2Confident83.1Confident159 Ų15958.8 Ų58.860%0.630%0.302SS*.Hα-helixtrans-58.3-43.5174.8-178.4-176.970.1-172.8-0.4111.9E2973 E2974 N2981E2973-R2977 WeakPolarHBondContact O-CB 3.21Å; E2973-R2977 PolarHBondContact O-N 3.15Å; E2974-R2977 PolarHBondContact O-N 2.85Å; E2974-R2977 IonicContact OE1-NH2 2.69Å; E2974-R2977 PolarHBondContact OE1-NH2 2.89Å; R2977-N2981 WeakPolarHBondContact O-CB 3.33Å; R2977-N2981 PolarHBondContact O-N 3.01Å
2978L83.1Confident83.1Confident54 Ų5452 Ų5228%0.28328%0.278SS..Hα-helixtrans-68.5-41.7177.8-70.5168.3000111.6E2974 F2975 I2976 N2981 I2982 L3041 Y3045E2974-L2978 HydrophobicContact CG-CD1 4Å; E2974-L2978 HydrophobicContact CG-CG 4.34Å; E2974-L2978 WeakPolarHBondContact O-CB 3.32Å; E2974-L2978 VanDerWaalsContact O-CG 3.26Å; E2974-L2978 WeakPolarHBondContact O-CG 3.43Å; E2974-L2978 PolarHBondContact O-N 2.87Å; F2975-L2978 PolarHBondContact O-N 2.98Å; I2976-L2978 VanDerWaalsContact C-N 3.32Å; I2976-L2978 PolarHBondContact O-N 3.11Å; L2978-N2981 PolarHBondContact O-N 2.85Å; L2978-I2982 WeakPolarHBondContact O-CB 3.2Å; L2978-I2982 WeakPolarHBondContact O-CD1 3.39Å; L2978-I2982 VanDerWaalsContact O-CG1 3.3Å; L2978-I2982 WeakPolarHBondContact O-CG1 3.27Å; L2978-I2982 PolarHBondContact O-N 2.92Å; L2978-L3041 HydrophobicContact CB-CD1 3.55Å; L2978-Y3045 HydrophobicContact CD1-CE2 4Å
2979L84.6Confident83Confident2 Ų253.7 Ų53.71%0.0129%0.288CS..Hα-helixtrans-62.6-43.6175.4-128.7112.3000112.1I2959 F2975 I2976 I2982 T2983 V2987 I3011 L3038 F3042I2959-L2979 HydrophobicContact CD1-CD2 4.31Å; F2975-L2979 HydrophobicContact CD1-CD1 3.55Å; F2975-L2979 HydrophobicContact CD2-CD1 4.35Å; F2975-L2979 HydrophobicContact CE1-CD1 3.12Å; F2975-L2979 HydrophobicContact CE2-CD1 4.02Å; F2975-L2979 HydrophobicContact CG-CD1 4.15Å; F2975-L2979 HydrophobicContact CZ-CD1 3.39Å; F2975-L2979 WeakPolarHBondContact O-CB 3.27Å; F2975-L2979 PolarHBondContact O-N 3.1Å; I2976-L2979 PolarHBondContact O-N 3.19Å; L2979-I2982 PolarHBondContact O-N 3.04Å; L2979-T2983 WeakPolarHBondContact O-CB 3.42Å; L2979-T2983 VanDerWaalsContact O-CG2 3.32Å; L2979-T2983 WeakPolarHBondContact O-CG2 3.38Å; L2979-T2983 PolarHBondContact O-N 2.81Å; L2979-T2983 PolarHBondContact O-OG1 3.2Å; L2979-V2987 HydrophobicContact CB-CG2 4.45Å; L2979-V2987 HydrophobicContact CD2-CG1 4.06Å; L2979-V2987 HydrophobicContact CD2-CG2 4.27Å; L2979-V2987 HydrophobicContact CG-CG2 4.45Å; L2979-I3011 HydrophobicContact CD2-CD1 4.02Å; L2979-L3038 HydrophobicContact CD1-CD2 3.6Å; L2979-F3042 HydrophobicContact CD1-CE1 4.19Å
2980S84.8Confident82.8Confident37.5 Ų37.548.7 Ų48.726%0.26227%0.272SS..Hα-helixtrans-61.5-45.2175172.90000111.8I2976 I2982 T2983 G2984 A2985I2976-S2980 VanDerWaalsContact O-CB 3.28Å; I2976-S2980 WeakPolarHBondContact O-CB 3.26Å; I2976-S2980 PolarHBondContact O-N 2.91Å; S2980-I2982 VanDerWaalsContact C-N 3.35Å; S2980-I2982 PolarHBondContact O-N 3.39Å; S2980-T2983 PolarHBondContact O-N 2.99Å; S2980-T2983 PolarHBondContact O-OG1 3.13Å; S2980-G2984 VanDerWaalsContact O-CA 3.31Å; S2980-G2984 WeakPolarHBondContact O-CA 3.22Å; S2980-G2984 PolarHBondContact O-N 2.75Å; S2980-A2985 WeakPolarHBondContact CA-O 3.21Å; S2980-A2985 VanDerWaalsContact CB-O 3.3Å; S2980-A2985 WeakPolarHBondContact CB-O 3.17Å; S2980-A2985 PolarHBondContact OG-O 2.69Å
2981N80.8Confident82.9Confident133 Ų13348.7 Ų48.771%0.71126%0.255SS*.Hα-helixtrans-64.5-37.5177.8-169.527.5000112.7R2977 L2978R2977-N2981 WeakPolarHBondContact O-CB 3.33Å; R2977-N2981 PolarHBondContact O-N 3.01Å; L2978-N2981 PolarHBondContact O-N 2.85Å
2982I80.2Confident82.8Confident35.5 Ų35.547.3 Ų47.318%0.18225%0.25CC..Hα-helixtrans-74.5-41.9178.6-68.3165.7000111.7L2978 L2979 S2980 N3034 Q3037 L3038 L3041L2978-I2982 WeakPolarHBondContact O-CB 3.2Å; L2978-I2982 WeakPolarHBondContact O-CD1 3.39Å; L2978-I2982 VanDerWaalsContact O-CG1 3.3Å; L2978-I2982 WeakPolarHBondContact O-CG1 3.27Å; L2978-I2982 PolarHBondContact O-N 2.92Å; L2979-I2982 PolarHBondContact O-N 3.04Å; S2980-I2982 VanDerWaalsContact C-N 3.35Å; S2980-I2982 PolarHBondContact O-N 3.39Å; I2982-N3034 HydrophobicContact CG2-CB 3.72Å; I2982-Q3037 HydrophobicContact CD1-CB 4.47Å; I2982-Q3037 HydrophobicContact CG2-CB 4.27Å; I2982-L3038 HydrophobicContact CB-CD2 4.2Å; I2982-L3038 HydrophobicContact CD1-CD2 3.75Å; I2982-L3038 HydrophobicContact CG2-CD2 3.74Å; I2982-L3038 HydrophobicContact CG2-CG 3.96Å; I2982-L3041 HydrophobicContact CD1-CD1 3.78Å
2983T80.2Confident83Confident18.5 Ų18.549 Ų4911%0.11326%0.258CS..Hα-helixtrans-81.2-20.8-178.557.40000113.4L2979 S2980 A2985 M3030L2979-T2983 WeakPolarHBondContact O-CB 3.42Å; L2979-T2983 VanDerWaalsContact O-CG2 3.32Å; L2979-T2983 WeakPolarHBondContact O-CG2 3.38Å; L2979-T2983 PolarHBondContact O-N 2.81Å; L2979-T2983 PolarHBondContact O-OG1 3.2Å; S2980-T2983 PolarHBondContact O-N 2.99Å; S2980-T2983 PolarHBondContact O-OG1 3.13Å; T2983-A2985 PolarHBondContact O-N 2.83Å; T2983-A2985 PolarHBondContact OG1-N 3.03Å; T2983-M3030 VanDerWaalsContact O-CE 3.25Å; T2983-M3030 WeakPolarHBondContact O-CE 3.38Å
2984G79.7Confident83.4Confident52 Ų5246 Ų4654%0.53624%0.243SC..SBendtrans70.95.6-171.900000114S2980S2980-G2984 VanDerWaalsContact O-CA 3.31Å; S2980-G2984 WeakPolarHBondContact O-CA 3.22Å; S2980-G2984 PolarHBondContact O-N 2.75Å
2985A84.3Confident83.5Confident4.5 Ų4.543.2 Ų43.24%0.03723%0.23CC..SBendtrans-107.3160-178.700000111S2980 T2983 V2987 V3013 L3022 M3030S2980-A2985 WeakPolarHBondContact CA-O 3.21Å; S2980-A2985 VanDerWaalsContact CB-O 3.3Å; S2980-A2985 WeakPolarHBondContact CB-O 3.17Å; S2980-A2985 PolarHBondContact OG-O 2.69Å; T2983-A2985 PolarHBondContact O-N 2.83Å; T2983-A2985 PolarHBondContact OG1-N 3.03Å; A2985-V2987 PolarHBondContact O-N 2.89Å; A2985-V3013 HydrophobicContact CB-CG1 3.47Å; A2985-V3013 VanDerWaalsContact CB-CG1 3.47Å; A2985-L3022 HydrophobicContact CB-CD1 4.38Å; A2985-M3030 HydrophobicContact CB-CE 4.2Å
2986I82.9Confident83.3Confident30.5 Ų30.545.9 Ų45.916%0.15625%0.246CC..EExtended strand (participates in β ladder)trans-78.4119.9171.8-58.9169.2000106.7T2852 N2988 V3013 V3014 R3016T2852-I2986 HydrophobicContact CG2-CG2 4.36Å; T2852-I2986 WeakPolarHBondContact OG1-CG2 3.28Å; I2986-N2988 WeakPolarHBondContact CG2-OD1 3.43Å; I2986-V3013 CarbonylContact O-C 3.44Å; I2986-V3013 WeakPolarHBondContact O-CA 3.49Å; I2986-V3013 WeakPolarHBondContact O-CG1 3.37Å; I2986-V3014 HydrophobicContact CB-CB 4.24Å; I2986-V3014 PolarHBondContact N-O 3.39Å; I2986-V3014 PolarHBondContact O-N 3.08Å; I2986-R3016 HydrophobicContact CD1-CB 4.46Å; I2986-R3016 HydrophobicContact CD1-CG 4.31Å; I2986-R3016 HydrophobicContact CG1-CB 4.3Å; I2986-R3016 HydrophobicContact CG1-CG 4.34Å
2987V86.2Confident82.8Confident8 Ų847.1 Ų47.15%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-109.1127.3177-177.80000107I2976 L2979 A2985 I3011 V3013I2976-V2987 HydrophobicContact CD1-CG1 3.78Å; I2976-V2987 HydrophobicContact CG2-CB 4.04Å; I2976-V2987 HydrophobicContact CG2-CG1 4.14Å; I2976-V2987 WeakPolarHBondContact CG2-O 3.19Å; L2979-V2987 HydrophobicContact CB-CG2 4.45Å; L2979-V2987 HydrophobicContact CD2-CG1 4.06Å; L2979-V2987 HydrophobicContact CD2-CG2 4.27Å; L2979-V2987 HydrophobicContact CG-CG2 4.45Å; A2985-V2987 PolarHBondContact O-N 2.89Å; V2987-I3011 HydrophobicContact CG1-CB 4.23Å; V2987-I3011 HydrophobicContact CG1-CD1 3.88Å; V2987-I3011 HydrophobicContact CG1-CG2 4.37Å; V2987-V3013 HydrophobicContact CG1-CG2 4.45Å; V2987-V3013 HydrophobicContact CG2-CG1 4.21Å; V2987-V3013 HydrophobicContact CG2-CG2 4.21Å
2988N84.3Confident82.4Confident13 Ų1348.9 Ų48.97%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-121.3140.7179.7-63.7-35.2000109.3T2852 I2986 I3011 H3012T2852-N2988 WeakPolarHBondContact CB-OD1 3.41Å; T2852-N2988 PolarHBondContact O-OD1 3.41Å; T2852-N2988 PolarHBondContact OG1-ND2 3.3Å; T2852-N2988 PolarHBondContact OG1-OD1 2.9Å; I2986-N2988 WeakPolarHBondContact CG2-OD1 3.43Å; N2988-I3011 WeakPolarHBondContact O-CA 3.39Å; N2988-I3011 WeakPolarHBondContact O-CB 3.44Å; N2988-H3012 WeakPolarHBondContact CB-CE1 3.36Å; N2988-H3012 PolarHBondContact N-O 2.98Å; N2988-H3012 PolarHBondContact ND2-CE1 2.81Å; N2988-H3012 PolarHBondContact ND2-NE2 2.84Å; N2988-H3012 PolarHBondContact O-N 3.09Å
2989T84.4Confident81.9Confident36 Ų3654.3 Ų54.322%0.22129%0.291CS..EExtended strand (participates in β ladder)trans-83.7136.7169.7-47.20000110E2972 V2992 L3009E2972-T2989 HydrophobicContact CG-CG2 4.47Å; E2972-T2989 WeakPolarHBondContact OE1-CB 3.46Å; E2972-T2989 VanDerWaalsContact OE1-CG2 3.3Å; E2972-T2989 WeakPolarHBondContact OE1-CG2 3.42Å; E2972-T2989 PolarHBondContact OE1-OG1 3.27Å; T2989-V2992 HydrophobicContact CG2-CG2 3.95Å; T2989-L3009 HydrophobicContact CG2-CD1 3.46Å; T2989-L3009 VanDerWaalsContact CG2-CD1 3.46Å
2990D79.9Confident81.3Confident40.5 Ų40.556.9 Ų56.922%0.21732%0.319CS..EExtended strand (participates in β ladder)trans-103.7-41174.9-67-27.7000112.1L2951 R2956 L3010 H3012L2951-D2990 VanDerWaalsContact CD1-CG 3.46Å; L2951-D2990 VanDerWaalsContact CD1-OD1 3.29Å; L2951-D2990 WeakPolarHBondContact CD1-OD1 3.39Å; L2951-D2990 WeakPolarHBondContact CD1-OD2 3.3Å; R2956-D2990 WeakPolarHBondContact CG-OD2 3.01Å; R2956-D2990 IonicContact CZ-OD2 3.87Å; R2956-D2990 IonicContact NE-OD2 3.08Å; R2956-D2990 PolarHBondContact NE-OD2 2.94Å; R2956-D2990 IonicContact NH2-OD2 2.96Å; D2990-L3010 HydrophobicContact CB-CB 4.23Å; D2990-L3010 PolarHBondContact N-O 2.9Å; D2990-H3012 IonicContact OD1-CE1 3.45Å; D2990-H3012 PolarHBondContact OD1-CE1 2.9Å; D2990-H3012 VanDerWaalsContact OD1-CE1 3.29Å; D2990-H3012 IonicContact OD1-CG 3.82Å; D2990-H3012 IonicContact OD1-ND1 2.99Å; D2990-H3012 PolarHBondContact OD1-ND1 2.66Å; D2990-H3012 IonicContact OD2-ND1 2.71Å
2991D82Confident80.9Confident71 Ų7163.7 Ų63.738%0.3834%0.339SS..EExtended strand (participates in β ladder)trans-159.3153.7-177.6-163.87.6000112.1L3010D2991-L3010 HydrophobicContact CB-CB 4.27Å; D2991-L3010 HydrophobicContact CB-CD1 4.15Å; D2991-L3010 PolarHBondContact O-N 2.87Å
2992V84.8Confident81Confident12 Ų1260.7 Ų60.77%0.07333%0.325CS..EExtended strand (participates in β ladder)trans-133.798.4178.2-172.10000108.8P2965 V2968 R2969 E2972 T2989 T3007 L3009P2965-V2992 HydrophobicContact CB-CG1 4.25Å; V2968-V2992 HydrophobicContact CB-CG1 4.3Å; V2968-V2992 HydrophobicContact CG1-CG1 4.05Å; R2969-V2992 HydrophobicContact CG-CB 4.5Å; R2969-V2992 HydrophobicContact CG-CG1 4.34Å; E2972-V2992 WeakPolarHBondContact OE2-CG2 3.24Å; T2989-V2992 HydrophobicContact CG2-CG2 3.95Å; V2992-T3007 HydrophobicContact CG1-CG2 3.51Å; V2992-L3009 HydrophobicContact CG2-CD1 3.83Å
2993Q86.7Confident81.3Confident74.5 Ų74.561.7 Ų61.735%0.34833%0.331SS..EExtended strand (participates in β ladder)trans-126.2163.2-174.665.8177.87.100112.1T3007 E3008Q2993-T3007 CarbonylContact O-C 3.6Å; Q2993-T3007 WeakPolarHBondContact O-CA 3.42Å; Q2993-T3007 WeakPolarHBondContact O-CG2 3.23Å; Q2993-E3008 HydrophobicContact CG-CB 3.88Å; Q2993-E3008 PolarHBondContact N-O 2.92Å; Q2993-E3008 VanDerWaalsContact N-O 3.07Å; Q2993-E3008 PolarHBondContact NE2-OE2 3.3Å; Q2993-E3008 PolarHBondContact O-N 2.65Å
2994F88.4Confident81.6Confident76 Ų7667.7 Ų67.733%0.33336%0.355SS..EExtended strand (participates in β ladder)trans-64143.4172.3-72.7-76.3000111.2P2965 V2996 V3002 F3004P2965-F2994 HydrophobicContact CG-CD1 3.66Å; P2965-F2994 HydrophobicContact CG-CD2 4.09Å; P2965-F2994 HydrophobicContact CG-CE1 3.63Å; P2965-F2994 HydrophobicContact CG-CE2 4.03Å; P2965-F2994 HydrophobicContact CG-CG 3.91Å; P2965-F2994 HydrophobicContact CG-CZ 3.81Å; F2994-V2996 PolarHBondContact O-N 3.22Å; F2994-V3002 HydrophobicContact CB-CG1 3.43Å; F2994-V3002 VanDerWaalsContact CB-CG1 3.43Å; F2994-V3002 HydrophobicContact CG-CG1 4.05Å; F2994-F3004 HydrophobicContact CD1-CB 4.49Å; F2994-F3004 HydrophobicContact CD1-CD1 4.18Å; F2994-F3004 HydrophobicContact CE1-CB 4.26Å; F2994-F3004 AromaticContact CE1-CD1 3.99Å; F2994-F3004 HydrophobicContact CE1-CD1 3.99Å; F2994-F3004 WeakPolarHBondContact CE1-O 3.21Å; F2994-F3004 HydrophobicContact CE2-CD1 4.37Å; F2994-F3004 HydrophobicContact CG-CD1 4.43Å; F2994-F3004 HydrophobicContact CZ-CD1 4.1Å
2995H84.8Confident81.9Confident30 Ų3067.6 Ų67.614%0.13935%0.349CS..EExtended strand (participates in β ladder)trans-66.7130.7178.7179.452.3000111.3V2960 N3003 Q3006 E3008V2960-H2995 HydrophobicContact CG1-CB 4.46Å; H2995-N3003 PolarHBondContact O-N 3.41Å; H2995-Q3006 HydrophobicContact CB-CB 3.54Å; H2995-Q3006 PolarHBondContact CD2-OE1 3.02Å; H2995-Q3006 PolarHBondContact N-O 3Å; H2995-E3008 WeakPolarHBondContact CA-OE1 3.43Å; H2995-E3008 HydrophobicContact CB-CG 4.16Å; H2995-E3008 IonicContact CE1-OE1 2.72Å; H2995-E3008 IonicContact CG-OE1 2.61Å; H2995-E3008 IonicContact ND1-OE1 3.16Å; H2995-E3008 PolarHBondContact ND1-OE1 3.22Å
2996V81.1Confident82.2Confident56.5 Ų56.569 Ų6934%0.34236%0.355SS..EExtended strand (participates in β ladder)trans-105.1120.6174.8-174.10000108.6F2994 R3001 E3008F2994-V2996 PolarHBondContact O-N 3.22Å; V2996-R3001 WeakPolarHBondContact CA-O 3.16Å; V2996-E3008 PolarHBondContact N-OE1 2.84Å
2997D75Confident82.5Confident45.5 Ų45.567.5 Ų67.524%0.24335%0.348CS..PPolyproline II helixtrans-66.6166.2179.183.5-4.1000111.5K2999 G3000 R3001D2997-K2999 PolarHBondContact O-N 3.15Å; D2997-K2999 VanDerWaalsContact OD1-C 3.26Å; D2997-K2999 VanDerWaalsContact OD1-CA 3.25Å; D2997-K2999 WeakPolarHBondContact OD1-CA 3.28Å; D2997-K2999 VanDerWaalsContact OD1-CB 3.29Å; D2997-K2999 WeakPolarHBondContact OD1-CB 3.35Å; D2997-K2999 PolarHBondContact OD1-N 3.35Å; D2997-G3000 PolarHBondContact O-N 2.86Å; D2997-G3000 PolarHBondContact OD1-N 3.18Å; D2997-G3000 VanDerWaalsContact OD1-N 3.09Å; D2997-R3001 PolarHBondContact N-O 2.75Å; D2997-R3001 WeakPolarHBondContact OD1-CB 3.2Å; D2997-R3001 PolarHBondContact OD1-N 3.24Å
2998M72.3Confident82.7Confident195.5 Ų195.567.4 Ų67.496%0.96335%0.347SS*.THydrogen-bonded Turntrans-60.5-5.7177.8-63.2179.5-179.800114.2
2999K71.9Confident83Confident169 Ų16966.9 Ų66.974%0.73534%0.344SS*.THydrogen-bonded Turntrans-105.55.5177.3-58174.8-179.9173.70112.3D2997D2997-K2999 PolarHBondContact O-N 3.15Å; D2997-K2999 VanDerWaalsContact OD1-C 3.26Å; D2997-K2999 VanDerWaalsContact OD1-CA 3.25Å; D2997-K2999 WeakPolarHBondContact OD1-CA 3.28Å; D2997-K2999 VanDerWaalsContact OD1-CB 3.29Å; D2997-K2999 WeakPolarHBondContact OD1-CB 3.35Å; D2997-K2999 PolarHBondContact OD1-N 3.35Å
3000G73.2Confident83.2Confident56.5 Ų56.566.1 Ų66.158%0.58234%0.338SS*.SBendtrans80.514-179.500000114.5D2997D2997-G3000 PolarHBondContact O-N 2.86Å; D2997-G3000 PolarHBondContact OD1-N 3.18Å; D2997-G3000 VanDerWaalsContact OD1-N 3.09Å
3001R76.5Confident83.7Confident180 Ų18064.2 Ų64.268%0.67933%0.328SS*.  trans-92.2128.9178.5-60.7179.2172.2-156.8-7.8110.6V2996 D2997V2996-R3001 WeakPolarHBondContact CA-O 3.16Å; D2997-R3001 PolarHBondContact N-O 2.75Å; D2997-R3001 WeakPolarHBondContact OD1-CB 3.2Å; D2997-R3001 PolarHBondContact OD1-N 3.24Å
3002V83.1Confident84Confident70 Ų7060.8 Ų60.842%0.42431%0.31SS..EExtended strand (participates in β ladder)trans-71.6125.9172.5-173.20000109.6F2994 F3004F2994-V3002 HydrophobicContact CB-CG1 3.43Å; F2994-V3002 VanDerWaalsContact CB-CG1 3.43Å; F2994-V3002 HydrophobicContact CG-CG1 4.05Å; V3002-F3004 HydrophobicContact CB-CZ 4.44Å; V3002-F3004 HydrophobicContact CG1-CD1 4.26Å; V3002-F3004 HydrophobicContact CG1-CE1 4Å; V3002-F3004 HydrophobicContact CG1-CZ 4.26Å
3003N85.2Confident84.2Confident57 Ų5760.5 Ų60.531%0.30531%0.308SS..EExtended strand (participates in β ladder)trans-101.8100.1173.6-175.80.2000110.1H2995 A3005 Q3006H2995-N3003 PolarHBondContact O-N 3.41Å; N3003-A3005 PolarHBondContact O-N 3.18Å; N3003-A3005 PolarHBondContact OD1-N 3.25Å; N3003-Q3006 HydrophobicContact CB-CB 4.4Å; N3003-Q3006 PolarHBondContact ND2-OE1 3.02Å; N3003-Q3006 PolarHBondContact O-N 2.99Å
3004F87.2Confident84.2Confident143 Ų14357 Ų5763%0.62729%0.291SS*.EExtended strand (participates in β ladder)trans-62.8-9.7-178.2-60.3-73.7000115.3I2964 F2994 V3002I2964-F3004 WeakPolarHBondContact CG2-O 3.1Å; F2994-F3004 HydrophobicContact CD1-CB 4.49Å; F2994-F3004 HydrophobicContact CD1-CD1 4.18Å; F2994-F3004 HydrophobicContact CE1-CB 4.26Å; F2994-F3004 AromaticContact CE1-CD1 3.99Å; F2994-F3004 HydrophobicContact CE1-CD1 3.99Å; F2994-F3004 WeakPolarHBondContact CE1-O 3.21Å; F2994-F3004 HydrophobicContact CE2-CD1 4.37Å; F2994-F3004 HydrophobicContact CG-CD1 4.43Å; F2994-F3004 HydrophobicContact CZ-CD1 4.1Å; V3002-F3004 HydrophobicContact CB-CZ 4.44Å; V3002-F3004 HydrophobicContact CG1-CD1 4.26Å; V3002-F3004 HydrophobicContact CG1-CE1 4Å; V3002-F3004 HydrophobicContact CG1-CZ 4.26Å
3005A86.3Confident84Confident50 Ų5055.7 Ų55.741%0.41329%0.288SS..EExtended strand (participates in β ladder)trans-99.11.9176.600000114N2962 E2963 N3003N2962-A3005 CarbonylContact C-O 3.39Å; E2963-A3005 PolarHBondContact N-O 2.83Å; N3003-A3005 PolarHBondContact O-N 3.18Å; N3003-A3005 PolarHBondContact OD1-N 3.25Å
3006Q89.2Confident83.9Confident34 Ų3462.7 Ų62.716%0.15931%0.313CS..EExtended strand (participates in β ladder)trans-135148-177.7-77.1168.63.400110.8I2961 N2962 E2963 H2995 N3003 L3048I2961-Q3006 CarbonylContact O-C 3.49Å; I2961-Q3006 VanDerWaalsContact O-CA 3.27Å; I2961-Q3006 WeakPolarHBondContact O-CA 3.19Å; N2962-Q3006 HydrophobicContact CB-CG 4.43Å; N2962-Q3006 PolarHBondContact OD1-NE2 3.4Å; E2963-Q3006 CarbonylContact O-C 3.45Å; H2995-Q3006 HydrophobicContact CB-CB 3.54Å; H2995-Q3006 PolarHBondContact CD2-OE1 3.02Å; H2995-Q3006 PolarHBondContact N-O 3Å; N3003-Q3006 HydrophobicContact CB-CB 4.4Å; N3003-Q3006 PolarHBondContact ND2-OE1 3.02Å; N3003-Q3006 PolarHBondContact O-N 2.99Å; Q3006-L3048 HydrophobicContact CG-CD1 3.99Å; Q3006-L3048 VanDerWaalsContact NE2-CD1 3.25Å
3007T90.8Very high83.9Confident0 Ų067.2 Ų67.20%034%0.336CS..EExtended strand (participates in β ladder)trans-124138.1-177.4-60.30000109.9V2960 I2961 E2963 I2964 P2965 V2968 V2992 Q2993V2960-T3007 WeakPolarHBondContact CA-O 3.27Å; I2961-T3007 PolarHBondContact N-O 2.6Å; I2961-T3007 PolarHBondContact O-N 2.94Å; E2963-T3007 WeakPolarHBondContact O-CB 3.14Å; E2963-T3007 PolarHBondContact O-N 2.93Å; E2963-T3007 PolarHBondContact O-OG1 3.47Å; I2964-T3007 VanDerWaalsContact C-OG1 3.25Å; P2965-T3007 WeakPolarHBondContact CA-OG1 3.47Å; P2965-T3007 HydrophobicContact CB-CG2 4.38Å; P2965-T3007 VanDerWaalsContact CD-OG1 3.31Å; P2965-T3007 WeakPolarHBondContact CD-OG1 3.4Å; P2965-T3007 HydrophobicContact CG-CG2 4.25Å; P2965-T3007 VanDerWaalsContact N-OG1 3.09Å; V2968-T3007 HydrophobicContact CB-CG2 4.13Å; V2968-T3007 HydrophobicContact CG1-CG2 4.2Å; V2968-T3007 HydrophobicContact CG2-CG2 3.94Å; V2992-T3007 HydrophobicContact CG1-CG2 3.51Å; Q2993-T3007 CarbonylContact O-C 3.6Å; Q2993-T3007 WeakPolarHBondContact O-CA 3.42Å; Q2993-T3007 WeakPolarHBondContact O-CG2 3.23Å
3008E90Very high84.2Confident6 Ų668.8 Ų68.83%0.02835%0.347CS..EExtended strand (participates in β ladder)trans-95115.9165.3-77.4171.2-153.500109.5K2958 V2960 Q2993 H2995 V2996K2958-E3008 HydrophobicContact CD-CG 4.05Å; K2958-E3008 WeakPolarHBondContact CD-OE2 3.42Å; K2958-E3008 VanDerWaalsContact CE-OE1 3.29Å; K2958-E3008 WeakPolarHBondContact CE-OE1 3.05Å; K2958-E3008 VanDerWaalsContact CE-OE2 3.28Å; K2958-E3008 WeakPolarHBondContact CE-OE2 3.45Å; K2958-E3008 HydrophobicContact CG-CG 4.19Å; K2958-E3008 IonicContact NZ-OE1 2.55Å; K2958-E3008 PolarHBondContact NZ-OE1 3.42Å; K2958-E3008 IonicContact NZ-OE2 3.37Å; K2958-E3008 PolarHBondContact NZ-OE2 3.42Å; V2960-E3008 HydrophobicContact CG2-CG 4.48Å; Q2993-E3008 HydrophobicContact CG-CB 3.88Å; Q2993-E3008 PolarHBondContact N-O 2.92Å; Q2993-E3008 VanDerWaalsContact N-O 3.07Å; Q2993-E3008 PolarHBondContact NE2-OE2 3.3Å; Q2993-E3008 PolarHBondContact O-N 2.65Å; H2995-E3008 WeakPolarHBondContact CA-OE1 3.43Å; H2995-E3008 HydrophobicContact CB-CG 4.16Å; H2995-E3008 IonicContact CE1-OE1 2.72Å; H2995-E3008 IonicContact CG-OE1 2.61Å; H2995-E3008 IonicContact ND1-OE1 3.16Å; H2995-E3008 PolarHBondContact ND1-OE1 3.22Å; V2996-E3008 PolarHBondContact N-OE1 2.84Å
3009L90.6Very high84.4Confident1 Ų162.4 Ų62.41%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-96.7108.1169.5178.768.9000107.4I2959 I2961 E2972 F2975 I2976 T2989 V2992 I3011I2959-L3009 HydrophobicContact CB-CB 4.28Å; I2959-L3009 PolarHBondContact N-O 3.23Å; I2959-L3009 PolarHBondContact O-N 2.83Å; I2961-L3009 HydrophobicContact CD1-CB 4.22Å; I2961-L3009 HydrophobicContact CD1-CD2 4.05Å; E2972-L3009 HydrophobicContact CG-CD1 4.19Å; F2975-L3009 HydrophobicContact CD1-CD2 3.82Å; F2975-L3009 HydrophobicContact CE1-CD2 3.64Å; I2976-L3009 HydrophobicContact CD1-CD2 4.35Å; T2989-L3009 HydrophobicContact CG2-CD1 3.46Å; T2989-L3009 VanDerWaalsContact CG2-CD1 3.46Å; V2992-L3009 HydrophobicContact CG2-CD1 3.83Å; L3009-I3011 HydrophobicContact CD2-CG2 4.33Å; L3009-I3011 HydrophobicContact CG-CG2 3.98Å
3010L88.8Confident84.8Confident21 Ų2161 Ų6111%0.1131%0.307CS..EExtended strand (participates in β ladder)trans-86.9126.9173.7-72.4175.1000109.1K2958 D2990 D2991 A3053K2958-L3010 HydrophobicContact CB-CD2 3.86Å; D2990-L3010 HydrophobicContact CB-CB 4.23Å; D2990-L3010 PolarHBondContact N-O 2.9Å; D2991-L3010 HydrophobicContact CB-CB 4.27Å; D2991-L3010 HydrophobicContact CB-CD1 4.15Å; D2991-L3010 PolarHBondContact O-N 2.87Å; L3010-A3053 HydrophobicContact CD2-CB 3.79Å
3011I89.7Confident85.3Confident0 Ų059.8 Ų59.80%029%0.287CS..EExtended strand (participates in β ladder)trans-128.4153.4178.665.8167.8000111.6R2956 V2957 I2959 I2976 L2979 V2987 N2988 L3009 V3013R2956-I3011 WeakPolarHBondContact CA-O 3.48Å; V2957-I3011 HydrophobicContact CB-CD1 4.43Å; V2957-I3011 HydrophobicContact CB-CG1 3.89Å; V2957-I3011 PolarHBondContact N-O 3.35Å; V2957-I3011 PolarHBondContact O-N 2.95Å; I2959-I3011 HydrophobicContact CD1-CD1 3.65Å; I2959-I3011 HydrophobicContact CD1-CG1 4.31Å; I2959-I3011 HydrophobicContact CG1-CD1 4.36Å; I2976-I3011 HydrophobicContact CD1-CG2 3.87Å; L2979-I3011 HydrophobicContact CD2-CD1 4.02Å; V2987-I3011 HydrophobicContact CG1-CB 4.23Å; V2987-I3011 HydrophobicContact CG1-CD1 3.88Å; V2987-I3011 HydrophobicContact CG1-CG2 4.37Å; N2988-I3011 WeakPolarHBondContact O-CA 3.39Å; N2988-I3011 WeakPolarHBondContact O-CB 3.44Å; L3009-I3011 HydrophobicContact CD2-CG2 4.33Å; L3009-I3011 HydrophobicContact CG-CG2 3.98Å; I3011-V3013 HydrophobicContact CD1-CG2 4.24Å
3012H88.5Confident85.7Confident0 Ų052.5 Ų52.50%026%0.261CS..EExtended strand (participates in β ladder)trans-121.5153.4159.871.7-88000110Y2949 L2951 N2988 D2990Y2949-H3012 AromaticContact CD2-NE2 3.94Å; L2951-H3012 HydrophobicContact CD2-CB 3.83Å; N2988-H3012 WeakPolarHBondContact CB-CE1 3.36Å; N2988-H3012 PolarHBondContact N-O 2.98Å; N2988-H3012 PolarHBondContact ND2-CE1 2.81Å; N2988-H3012 PolarHBondContact ND2-NE2 2.84Å; N2988-H3012 PolarHBondContact O-N 3.09Å; D2990-H3012 IonicContact OD1-CE1 3.45Å; D2990-H3012 PolarHBondContact OD1-CE1 2.9Å; D2990-H3012 VanDerWaalsContact OD1-CE1 3.29Å; D2990-H3012 IonicContact OD1-CG 3.82Å; D2990-H3012 IonicContact OD1-ND1 2.99Å; D2990-H3012 PolarHBondContact OD1-ND1 2.66Å; D2990-H3012 IonicContact OD2-ND1 2.71Å
3013V88.5Confident85.8Confident5 Ų554.9 Ų54.93%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-123.6127-176.1-171.60000110A2985 I2986 V2987 I3011 I3021 L3022 V3027A2985-V3013 HydrophobicContact CB-CG1 3.47Å; A2985-V3013 VanDerWaalsContact CB-CG1 3.47Å; I2986-V3013 CarbonylContact O-C 3.44Å; I2986-V3013 WeakPolarHBondContact O-CA 3.49Å; I2986-V3013 WeakPolarHBondContact O-CG1 3.37Å; V2987-V3013 HydrophobicContact CG1-CG2 4.45Å; V2987-V3013 HydrophobicContact CG2-CG1 4.21Å; V2987-V3013 HydrophobicContact CG2-CG2 4.21Å; I3011-V3013 HydrophobicContact CD1-CG2 4.24Å; V3013-I3021 WeakPolarHBondContact O-CA 3Å; V3013-L3022 HydrophobicContact CG1-CD1 3.92Å; V3013-L3022 PolarHBondContact O-N 3.49Å; V3013-V3027 HydrophobicContact CB-CG1 4.28Å; V3013-V3027 HydrophobicContact CB-CG2 3.81Å; V3013-V3027 HydrophobicContact CG2-CG1 3.61Å; V3013-V3027 HydrophobicContact CG2-CG2 4.03Å
3014V86.5Confident85.8Confident0 Ų052.9 Ų52.90%026%0.261CS..EExtended strand (participates in β ladder)trans-111.7132.7-178.5-176.20000110Y2949 I2986 R3016 I3021Y2949-V3014 HydrophobicContact CD1-CG2 4.16Å; Y2949-V3014 HydrophobicContact CD2-CG2 4.06Å; Y2949-V3014 HydrophobicContact CE1-CG1 3.78Å; Y2949-V3014 HydrophobicContact CE1-CG2 4.1Å; Y2949-V3014 HydrophobicContact CE2-CG1 4.47Å; Y2949-V3014 HydrophobicContact CE2-CG2 4.01Å; Y2949-V3014 HydrophobicContact CG-CG2 4.16Å; I2986-V3014 HydrophobicContact CB-CB 4.24Å; I2986-V3014 PolarHBondContact N-O 3.39Å; I2986-V3014 PolarHBondContact O-N 3.08Å; V3014-R3016 PolarHBondContact O-N 3.12Å; V3014-I3021 HydrophobicContact CG2-CG1 4.34Å
3015N85.8Confident85.6Confident49 Ų4952.4 Ų52.426%0.26227%0.265SS..EExtended strand (participates in β ladder)trans-72.6117174.1178.7-62.3000110.5D3017 T3018 N3019 R3020 L3022N3015-D3017 VanDerWaalsContact C-N 3.28Å; N3015-D3017 PolarHBondContact O-N 2.84Å; N3015-D3017 PolarHBondContact OD1-N 2.86Å; N3015-T3018 WeakPolarHBondContact CB-OG1 3.42Å; N3015-T3018 PolarHBondContact O-N 2.86Å; N3015-T3018 PolarHBondContact OD1-N 3.13Å; N3015-T3018 PolarHBondContact OD1-OG1 2.81Å; N3015-N3019 PolarHBondContact O-N 3.48Å; N3015-R3020 PolarHBondContact N-O 3.09Å; N3015-L3022 HydrophobicContact CB-CD2 3.99Å; N3015-L3022 HydrophobicContact CB-CG 4.15Å
3016R81.4Confident85.6Confident177 Ų17754.4 Ų54.467%0.66826%0.262SS*.THydrogen-bonded Turntrans-61.3-27.2-174.7-167.8176.8-173.1176.54.3115.1I2986 V3014I2986-R3016 HydrophobicContact CD1-CB 4.46Å; I2986-R3016 HydrophobicContact CD1-CG 4.31Å; I2986-R3016 HydrophobicContact CG1-CB 4.3Å; I2986-R3016 HydrophobicContact CG1-CG 4.34Å; V3014-R3016 PolarHBondContact O-N 3.12Å
3017D81Confident85.4Confident152 Ų15253.1 Ų53.181%0.81326%0.256SS*.THydrogen-bonded Turntrans-85.9-16.8-178.9-62.4-36.3000112.9N3015N3015-D3017 VanDerWaalsContact C-N 3.28Å; N3015-D3017 PolarHBondContact O-N 2.84Å; N3015-D3017 PolarHBondContact OD1-N 2.86Å
3018T81.1Confident85.1Confident78 Ų7855.1 Ų55.148%0.47927%0.267SS..THydrogen-bonded Turntrans-130.5-5.6-168.957.20000114.8N3015 R3020N3015-T3018 WeakPolarHBondContact CB-OG1 3.42Å; N3015-T3018 PolarHBondContact O-N 2.86Å; N3015-T3018 PolarHBondContact OD1-N 3.13Å; N3015-T3018 PolarHBondContact OD1-OG1 2.81Å; T3018-R3020 PolarHBondContact O-N 2.94Å; T3018-R3020 VanDerWaalsContact O-N 3.15Å
3019N77.4Confident84.9Confident62 Ų6259.3 Ų59.333%0.33229%0.286SS..THydrogen-bonded Turntrans46.839.6-175-65.6-8.2000113Y2927 N3015Y2927-N3019 HydrophobicContact CE1-CB 4.17Å; N3015-N3019 PolarHBondContact O-N 3.48Å
3020R80.8Confident84.6Confident139 Ų13960.5 Ų60.553%0.52529%0.292SS..EExtended strand (participates in β ladder)trans-115.6132.8177.1-77.1176.7172-173.8-5.4110.1A2893 N3015 T3018 L3022A2893-R3020 PolarHBondContact O-NH2 2.97Å; N3015-R3020 PolarHBondContact N-O 3.09Å; T3018-R3020 PolarHBondContact O-N 2.94Å; T3018-R3020 VanDerWaalsContact O-N 3.15Å; R3020-L3022 PolarHBondContact O-N 2.79Å
3021I83Confident84.4Confident31 Ų3160.1 Ų60.116%0.15929%0.29CS..EExtended strand (participates in β ladder)trans-58.2131.3168.9-51.7156.6000107.7Y2949 L2951 Q2955 V3013 V3014Y2949-I3021 HydrophobicContact CD1-CG1 4.21Å; L2951-I3021 HydrophobicContact CD2-CD1 3.86Å; L2951-I3021 HydrophobicContact CD2-CG1 4.45Å; Q2955-I3021 HydrophobicContact CB-CG2 4Å; V3013-I3021 WeakPolarHBondContact O-CA 3Å; V3014-I3021 HydrophobicContact CG2-CG1 4.34Å
3022L85.2Confident84Confident27 Ų2764.3 Ų64.314%0.14131%0.312CS..PPolyproline II helixtrans-79.4142.5176.7-72172.1000110.4A2985 V3013 N3015 R3020 V3027 M3030A2985-L3022 HydrophobicContact CB-CD1 4.38Å; V3013-L3022 HydrophobicContact CG1-CD1 3.92Å; V3013-L3022 PolarHBondContact O-N 3.49Å; N3015-L3022 HydrophobicContact CB-CD2 3.99Å; N3015-L3022 HydrophobicContact CB-CG 4.15Å; R3020-L3022 PolarHBondContact O-N 2.79Å; L3022-V3027 HydrophobicContact CB-CG2 3.67Å; L3022-V3027 HydrophobicContact CD1-CG2 4.44Å; L3022-M3030 HydrophobicContact CD1-CE 4.42Å; L3022-M3030 HydrophobicContact CD1-SD 3.86Å
3023D84.7Confident83.8Confident121 Ų12169.2 Ų69.265%0.64734%0.335SS*.PPolyproline II helixtrans-61.4138.5171.1-61.6-45000110.3D3025 R3026 V3027D3023-D3025 VanDerWaalsContact C-N 3.27Å; D3023-D3025 PolarHBondContact O-N 3.08Å; D3023-R3026 WeakPolarHBondContact O-CA 3.21Å; D3023-R3026 WeakPolarHBondContact O-CB 3.43Å; D3023-R3026 PolarHBondContact O-N 3.2Å; D3023-V3027 PolarHBondContact O-N 2.87Å; D3023-V3027 VanDerWaalsContact O-N 3.07Å
3024V84.5Confident83.6Confident14 Ų1471 Ų719%0.08535%0.345CS..Hα-helixtrans-53.3-42-175.8167.70000112.5D2954 V2957 R3026 V3027 I3028 P3052D2954-V3024 WeakPolarHBondContact O-CG2 3.16Å; V2957-V3024 HydrophobicContact CG2-CG1 4.12Å; V2957-V3024 HydrophobicContact CG2-CG2 4.13Å; V3024-R3026 VanDerWaalsContact C-N 3.25Å; V3024-R3026 PolarHBondContact O-N 3.25Å; V3024-V3027 PolarHBondContact O-N 3.41Å; V3024-V3027 VanDerWaalsContact O-N 3.1Å; V3024-I3028 HydrophobicContact CG1-CD1 3.77Å; V3024-I3028 HydrophobicContact CG1-CG1 4.35Å; V3024-I3028 WeakPolarHBondContact O-CG1 3.19Å; V3024-I3028 PolarHBondContact O-N 3.34Å; V3024-P3052 HydrophobicContact CG1-CB 3.87Å; V3024-P3052 HydrophobicContact CG1-CG 3.83Å
3025D84.2Confident83.2Confident133 Ų13377 Ų7771%0.71137%0.371SS*.Hα-helixtrans-57.4-38175.7-71.4-25.7000112.4D3023 Q3029D3023-D3025 VanDerWaalsContact C-N 3.27Å; D3023-D3025 PolarHBondContact O-N 3.08Å; D3025-Q3029 WeakPolarHBondContact O-CB 3.38Å; D3025-Q3029 PolarHBondContact O-N 3.16Å
3026R85.6Confident82.8Confident93 Ų9383.3 Ų83.335%0.35140%0.399SS..Hα-helixtrans-74.8-33.7177.8-175.962-169148.516.1111.5D3023 V3024 Q3029 M3030 E3033D3023-R3026 WeakPolarHBondContact O-CA 3.21Å; D3023-R3026 WeakPolarHBondContact O-CB 3.43Å; D3023-R3026 PolarHBondContact O-N 3.2Å; V3024-R3026 VanDerWaalsContact C-N 3.25Å; V3024-R3026 PolarHBondContact O-N 3.25Å; R3026-Q3029 PolarHBondContact O-N 2.76Å; R3026-M3030 HydrophobicContact CG-SD 4.43Å; R3026-M3030 VanDerWaalsContact O-CG 3.32Å; R3026-M3030 WeakPolarHBondContact O-CG 3.25Å; R3026-M3030 PolarHBondContact O-N 2.73Å; R3026-E3033 IonicContact CZ-OE1 2.8Å; R3026-E3033 IonicContact CZ-OE2 3.39Å; R3026-E3033 IonicContact NH1-OE1 3.27Å; R3026-E3033 PolarHBondContact NH1-OE1 3.39Å; R3026-E3033 IonicContact NH1-OE2 3.35Å; R3026-E3033 IonicContact NH2-OE1 2.66Å; R3026-E3033 IonicContact NH2-OE2 3.59Å; R3026-E3033 PolarHBondContact NH2-OE2 3.3Å; R3026-E3033 VanDerWaalsContact NH2-OE2 3.14Å
3027V85.5Confident82.5Confident6 Ų680.3 Ų80.34%0.03639%0.392CS..Hα-helixtrans-65.3-48.21741800000110.8V2957 V3013 L3022 D3023 V3024 Q3029 M3030 I3031V2957-V3027 HydrophobicContact CG2-CB 4.17Å; V2957-V3027 HydrophobicContact CG2-CG1 3.92Å; V3013-V3027 HydrophobicContact CB-CG1 4.28Å; V3013-V3027 HydrophobicContact CB-CG2 3.81Å; V3013-V3027 HydrophobicContact CG2-CG1 3.61Å; V3013-V3027 HydrophobicContact CG2-CG2 4.03Å; L3022-V3027 HydrophobicContact CB-CG2 3.67Å; L3022-V3027 HydrophobicContact CD1-CG2 4.44Å; D3023-V3027 PolarHBondContact O-N 2.87Å; D3023-V3027 VanDerWaalsContact O-N 3.07Å; V3024-V3027 PolarHBondContact O-N 3.41Å; V3024-V3027 VanDerWaalsContact O-N 3.1Å; V3027-Q3029 VanDerWaalsContact C-N 3.29Å; V3027-Q3029 PolarHBondContact O-N 3.47Å; V3027-M3030 PolarHBondContact O-N 3.27Å; V3027-M3030 VanDerWaalsContact O-N 3.07Å; V3027-I3031 HydrophobicContact CG1-CD1 4.24Å; V3027-I3031 WeakPolarHBondContact O-CG1 3.14Å; V3027-I3031 PolarHBondContact O-N 3Å
3028I84.9Confident82.5Confident42 Ų4273.1 Ų73.122%0.21535%0.354CS..Hα-helixtrans-60.2-42.6175.9-65.7170.2000109.9V3024 M3030 I3031 D3032 P3052V3024-I3028 HydrophobicContact CG1-CD1 3.77Å; V3024-I3028 HydrophobicContact CG1-CG1 4.35Å; V3024-I3028 WeakPolarHBondContact O-CG1 3.19Å; V3024-I3028 PolarHBondContact O-N 3.34Å; I3028-M3030 VanDerWaalsContact C-N 3.34Å; I3028-M3030 PolarHBondContact O-N 3.19Å; I3028-I3031 PolarHBondContact O-N 2.97Å; I3028-D3032 PolarHBondContact O-N 3.43Å; I3028-P3052 HydrophobicContact CD1-CG 3.92Å
3029Q85.2Confident82.4Confident94 Ų9478.3 Ų78.344%0.43937%0.365SS..Hα-helixtrans-59.8-40.7173.5-167.9-171.6-3.600112.6D3025 R3026 V3027 I3031 D3032 E3033D3025-Q3029 WeakPolarHBondContact O-CB 3.38Å; D3025-Q3029 PolarHBondContact O-N 3.16Å; R3026-Q3029 PolarHBondContact O-N 2.76Å; V3027-Q3029 VanDerWaalsContact C-N 3.29Å; V3027-Q3029 PolarHBondContact O-N 3.47Å; Q3029-I3031 VanDerWaalsContact C-N 3.33Å; Q3029-I3031 PolarHBondContact O-N 3.4Å; Q3029-D3032 PolarHBondContact O-N 3.17Å; Q3029-E3033 VanDerWaalsContact CD-OE1 3.32Å; Q3029-E3033 HydrophobicContact CG-CG 4.4Å; Q3029-E3033 WeakPolarHBondContact CG-OE1 3.33Å; Q3029-E3033 PolarHBondContact NE2-OE1 3.13Å; Q3029-E3033 WeakPolarHBondContact O-CB 3.23Å; Q3029-E3033 VanDerWaalsContact O-CG 3.25Å; Q3029-E3033 WeakPolarHBondContact O-CG 3.06Å; Q3029-E3033 PolarHBondContact O-N 3.45Å
3030M84.3Confident82.6Confident26 Ų2680.1 Ų80.113%0.12837%0.374CS..Hα-helixtrans-68-30.5176.9-76.2174.758.600113T2983 A2985 L3022 R3026 V3027 I3028 N3034T2983-M3030 VanDerWaalsContact O-CE 3.25Å; T2983-M3030 WeakPolarHBondContact O-CE 3.38Å; A2985-M3030 HydrophobicContact CB-CE 4.2Å; L3022-M3030 HydrophobicContact CD1-CE 4.42Å; L3022-M3030 HydrophobicContact CD1-SD 3.86Å; R3026-M3030 HydrophobicContact CG-SD 4.43Å; R3026-M3030 VanDerWaalsContact O-CG 3.32Å; R3026-M3030 WeakPolarHBondContact O-CG 3.25Å; R3026-M3030 PolarHBondContact O-N 2.73Å; V3027-M3030 PolarHBondContact O-N 3.27Å; V3027-M3030 VanDerWaalsContact O-N 3.07Å; I3028-M3030 VanDerWaalsContact C-N 3.34Å; I3028-M3030 PolarHBondContact O-N 3.19Å; M3030-N3034 PolarHBondContact O-N 3.27Å; M3030-N3034 PolarHBondContact O-ND2 2.8Å
3031I84.1Confident82.7Confident13 Ų1374 Ų747%0.06735%0.352CS..Hα-helixtrans-70.2-44.2172.3-71172000110.3V3027 I3028 Q3029 N3034 K3035 L3038 F3042 V3050V3027-I3031 HydrophobicContact CG1-CD1 4.24Å; V3027-I3031 WeakPolarHBondContact O-CG1 3.14Å; V3027-I3031 PolarHBondContact O-N 3Å; I3028-I3031 PolarHBondContact O-N 2.97Å; Q3029-I3031 VanDerWaalsContact C-N 3.33Å; Q3029-I3031 PolarHBondContact O-N 3.4Å; I3031-N3034 CarbonylContact O-C 3.51Å; I3031-N3034 PolarHBondContact O-N 2.81Å; I3031-K3035 PolarHBondContact O-N 2.93Å; I3031-K3035 VanDerWaalsContact O-N 3.17Å; I3031-L3038 HydrophobicContact CB-CD1 4.15Å; I3031-L3038 HydrophobicContact CG1-CD1 4.25Å; I3031-L3038 HydrophobicContact CG2-CD1 3.86Å; I3031-F3042 HydrophobicContact CG2-CE2 4.04Å; I3031-F3042 HydrophobicContact CG2-CZ 3.97Å; I3031-V3050 HydrophobicContact CD1-CG1 3.92Å
3032D83Confident82.9Confident88 Ų8874.5 Ų74.547%0.47135%0.353SS..Hα-helixtrans-68.4-33.3175.2-97-29.5000113.2I3028 Q3029 N3034 K3035I3028-D3032 PolarHBondContact O-N 3.43Å; Q3029-D3032 PolarHBondContact O-N 3.17Å; D3032-N3034 VanDerWaalsContact C-N 3.29Å; D3032-N3034 PolarHBondContact O-N 3.34Å; D3032-K3035 VanDerWaalsContact O-CB 3.28Å; D3032-K3035 WeakPolarHBondContact O-CB 3.45Å; D3032-K3035 PolarHBondContact O-N 2.99Å; D3032-K3035 IonicContact OD1-NZ 3.67Å; D3032-K3035 PolarHBondContact OD1-NZ 3.41Å
3033E84.1Confident82.8Confident104 Ų10482.8 Ų82.849%0.48638%0.383SS..Hα-helixtrans-63.3-34173.3-79.4169-169.900111.4R3026 Q3029R3026-E3033 IonicContact CZ-OE1 2.8Å; R3026-E3033 IonicContact CZ-OE2 3.39Å; R3026-E3033 IonicContact NH1-OE1 3.27Å; R3026-E3033 PolarHBondContact NH1-OE1 3.39Å; R3026-E3033 IonicContact NH1-OE2 3.35Å; R3026-E3033 IonicContact NH2-OE1 2.66Å; R3026-E3033 IonicContact NH2-OE2 3.59Å; R3026-E3033 PolarHBondContact NH2-OE2 3.3Å; R3026-E3033 VanDerWaalsContact NH2-OE2 3.14Å; Q3029-E3033 VanDerWaalsContact CD-OE1 3.32Å; Q3029-E3033 HydrophobicContact CG-CG 4.4Å; Q3029-E3033 WeakPolarHBondContact CG-OE1 3.33Å; Q3029-E3033 PolarHBondContact NE2-OE1 3.13Å; Q3029-E3033 WeakPolarHBondContact O-CB 3.23Å; Q3029-E3033 VanDerWaalsContact O-CG 3.25Å; Q3029-E3033 WeakPolarHBondContact O-CG 3.06Å; Q3029-E3033 PolarHBondContact O-N 3.45Å
3034N83Confident82.8Confident42 Ų4282.9 Ų82.923%0.22538%0.383CS..THydrogen-bonded Turntrans-101.115.3-179.6-67.7-62.6000114.5I2982 M3030 I3031 D3032 E3036 Q3037 L3038I2982-N3034 HydrophobicContact CG2-CB 3.72Å; M3030-N3034 PolarHBondContact O-N 3.27Å; M3030-N3034 PolarHBondContact O-ND2 2.8Å; I3031-N3034 CarbonylContact O-C 3.51Å; I3031-N3034 PolarHBondContact O-N 2.81Å; D3032-N3034 VanDerWaalsContact C-N 3.29Å; D3032-N3034 PolarHBondContact O-N 3.34Å; N3034-E3036 VanDerWaalsContact C-N 3.3Å; N3034-E3036 PolarHBondContact O-N 3.07Å; N3034-E3036 VanDerWaalsContact O-N 3.08Å; N3034-Q3037 PolarHBondContact O-N 2.91Å; N3034-L3038 HydrophobicContact CB-CD1 4.08Å; N3034-L3038 HydrophobicContact CB-CG 4.27Å; N3034-L3038 PolarHBondContact O-N 3.49Å; N3034-L3038 VanDerWaalsContact O-N 3.09Å
3035K78.5Confident82.9Confident127 Ų12784 Ų8455%0.55239%0.386SS*.Hα-helixtrans-52-36-169.6-170.3174.8-154.1128.70115.6I3031 D3032 R3039I3031-K3035 PolarHBondContact O-N 2.93Å; I3031-K3035 VanDerWaalsContact O-N 3.17Å; D3032-K3035 VanDerWaalsContact O-CB 3.28Å; D3032-K3035 WeakPolarHBondContact O-CB 3.45Å; D3032-K3035 PolarHBondContact O-N 2.99Å; D3032-K3035 IonicContact OD1-NZ 3.67Å; D3032-K3035 PolarHBondContact OD1-NZ 3.41Å; K3035-R3039 WeakPolarHBondContact O-CB 3.44Å; K3035-R3039 PolarHBondContact O-N 3.45Å
3036E77.6Confident83.1Confident180 Ų18081.4 Ų81.484%0.84137%0.372SS*.Hα-helixtrans-68.5-36.6179.2-68.1-153.615600113.1N3034N3034-E3036 VanDerWaalsContact C-N 3.3Å; N3034-E3036 PolarHBondContact O-N 3.07Å; N3034-E3036 VanDerWaalsContact O-N 3.08Å
3037Q75.1Confident83.1Confident115 Ų11578 Ų7854%0.53736%0.362SS..Hα-helixtrans-75-44177.3-62.4178.2-1.800110.3I2982 N3034 R3039 N3040I2982-Q3037 HydrophobicContact CD1-CB 4.47Å; I2982-Q3037 HydrophobicContact CG2-CB 4.27Å; N3034-Q3037 PolarHBondContact O-N 2.91Å; Q3037-R3039 VanDerWaalsContact C-N 3.29Å; Q3037-R3039 PolarHBondContact O-N 3.19Å; Q3037-N3040 PolarHBondContact O-N 2.91Å
3038L80.8Confident83.2Confident1 Ų182.2 Ų82.21%0.00538%0.383CS..Hα-helixtrans-67.7-24178.9-65.5177.1000113.5L2979 I2982 I3031 N3034 N3040 L3041 F3042L2979-L3038 HydrophobicContact CD1-CD2 3.6Å; I2982-L3038 HydrophobicContact CB-CD2 4.2Å; I2982-L3038 HydrophobicContact CD1-CD2 3.75Å; I2982-L3038 HydrophobicContact CG2-CD2 3.74Å; I2982-L3038 HydrophobicContact CG2-CG 3.96Å; I3031-L3038 HydrophobicContact CB-CD1 4.15Å; I3031-L3038 HydrophobicContact CG1-CD1 4.25Å; I3031-L3038 HydrophobicContact CG2-CD1 3.86Å; N3034-L3038 HydrophobicContact CB-CD1 4.08Å; N3034-L3038 HydrophobicContact CB-CG 4.27Å; N3034-L3038 PolarHBondContact O-N 3.49Å; N3034-L3038 VanDerWaalsContact O-N 3.09Å; L3038-N3040 PolarHBondContact O-N 2.98Å; L3038-L3041 HydrophobicContact CD2-CD1 4.09Å; L3038-L3041 PolarHBondContact O-N 3.2Å; L3038-L3041 VanDerWaalsContact O-N 3.12Å; L3038-F3042 HydrophobicContact CB-CD2 4.4Å; L3038-F3042 HydrophobicContact CB-CE2 4.17Å; L3038-F3042 HydrophobicContact CB-CZ 4.22Å; L3038-F3042 HydrophobicContact CD1-CZ 4.25Å; L3038-F3042 WeakPolarHBondContact O-CB 3.5Å; L3038-F3042 WeakPolarHBondContact O-CG 3.28Å; L3038-F3042 PolarHBondContact O-N 3.41Å
3039R79.9Confident83.2Confident187 Ų18784.3 Ų84.371%0.70640%0.395SS*.Hα-helixtrans-60-32.2179.1-156.5-178.782.3174.25.6113.6K3035 Q3037 R3043K3035-R3039 WeakPolarHBondContact O-CB 3.44Å; K3035-R3039 PolarHBondContact O-N 3.45Å; Q3037-R3039 VanDerWaalsContact C-N 3.29Å; Q3037-R3039 PolarHBondContact O-N 3.19Å; R3039-R3043 VanDerWaalsContact O-CB 3.27Å; R3039-R3043 WeakPolarHBondContact O-CB 3.3Å; R3039-R3043 PolarHBondContact O-N 2.86Å
3040N80.8Confident83.3Confident100 Ų10081.3 Ų81.354%0.53538%0.383SS..Hα-helixtrans-76.6-41.8175.9-69.1-18.4000111Q3037 L3038 R3043 N3044Q3037-N3040 PolarHBondContact O-N 2.91Å; L3038-N3040 PolarHBondContact O-N 2.98Å; N3040-R3043 PolarHBondContact O-N 3.07Å; N3040-N3044 WeakPolarHBondContact O-CB 3.49Å; N3040-N3044 PolarHBondContact O-N 3.42Å; N3040-N3044 PolarHBondContact O-OD1 2.88Å
3041L82.7Confident83.3Confident11 Ų1182.7 Ų82.76%0.05839%0.389CS..Hα-helixtrans-60.7-55.2177.1-170.4163.2000110.9F2975 L2978 I2982 L3038 R3043 N3044 Y3045F2975-L3041 HydrophobicContact CD2-CD2 3.61Å; F2975-L3041 HydrophobicContact CE2-CD2 3.29Å; F2975-L3041 HydrophobicContact CZ-CD2 4.04Å; L2978-L3041 HydrophobicContact CB-CD1 3.55Å; I2982-L3041 HydrophobicContact CD1-CD1 3.78Å; L3038-L3041 HydrophobicContact CD2-CD1 4.09Å; L3038-L3041 PolarHBondContact O-N 3.2Å; L3038-L3041 VanDerWaalsContact O-N 3.12Å; L3041-R3043 PolarHBondContact O-N 2.84Å; L3041-N3044 PolarHBondContact O-N 3.48Å; L3041-N3044 VanDerWaalsContact O-N 3.11Å; L3041-Y3045 HydrophobicContact CD2-CD2 4.03Å; L3041-Y3045 HydrophobicContact CG-CD2 4.15Å; L3041-Y3045 HydrophobicContact CG-CE2 4.34Å; L3041-Y3045 VanDerWaalsContact O-CD2 3.3Å; L3041-Y3045 WeakPolarHBondContact O-CD2 3.38Å; L3041-Y3045 PolarHBondContact O-N 3.34Å
3042F86.6Confident83.3Confident41 Ų4184.2 Ų84.218%0.1840%0.4CS..Hα-helixtrans-59.5-32.5178.5-69.8-7.9000112.9F2975 L2979 I3031 L3038 N3046 V3047 V3050F2975-F3042 HydrophobicContact CZ-CE1 4.43Å; L2979-F3042 HydrophobicContact CD1-CE1 4.19Å; I3031-F3042 HydrophobicContact CG2-CE2 4.04Å; I3031-F3042 HydrophobicContact CG2-CZ 3.97Å; L3038-F3042 HydrophobicContact CB-CD2 4.4Å; L3038-F3042 HydrophobicContact CB-CE2 4.17Å; L3038-F3042 HydrophobicContact CB-CZ 4.22Å; L3038-F3042 HydrophobicContact CD1-CZ 4.25Å; L3038-F3042 WeakPolarHBondContact O-CB 3.5Å; L3038-F3042 WeakPolarHBondContact O-CG 3.28Å; L3038-F3042 PolarHBondContact O-N 3.41Å; F3042-N3046 PolarHBondContact O-N 3.29Å; F3042-V3047 HydrophobicContact CB-CB 3.86Å; F3042-V3047 HydrophobicContact CB-CG2 4.26Å; F3042-V3047 HydrophobicContact CD1-CB 4.01Å; F3042-V3047 HydrophobicContact CD1-CG1 4.17Å; F3042-V3047 HydrophobicContact CD1-CG2 3.77Å; F3042-V3047 HydrophobicContact CE1-CG2 4.5Å; F3042-V3047 HydrophobicContact CG-CB 3.98Å; F3042-V3047 HydrophobicContact CG-CG1 4.19Å; F3042-V3047 HydrophobicContact CG-CG2 4.24Å; F3042-V3047 PolarHBondContact O-N 3.1Å; F3042-V3050 HydrophobicContact CE2-CG2 4.26Å; F3042-V3050 HydrophobicContact CZ-CG2 4.12Å
3043R84.8Confident82.8Confident201 Ų20181.6 Ų81.676%0.75839%0.39SS*.Hα-helixtrans-74.1-39.4174.8-175179.1179.6-159.4-2.1113R3039 N3040 L3041 Y3045R3039-R3043 VanDerWaalsContact O-CB 3.27Å; R3039-R3043 WeakPolarHBondContact O-CB 3.3Å; R3039-R3043 PolarHBondContact O-N 2.86Å; N3040-R3043 PolarHBondContact O-N 3.07Å; L3041-R3043 PolarHBondContact O-N 2.84Å; R3043-Y3045 VanDerWaalsContact C-N 3.34Å
3044N84.6Confident82.1Confident122 Ų12280.8 Ų80.865%0.65239%0.389SS*.Hα-helixtrans-69-35.1-179.9-72.42.9000111.8N3040 L3041N3040-N3044 WeakPolarHBondContact O-CB 3.49Å; N3040-N3044 PolarHBondContact O-N 3.42Å; N3040-N3044 PolarHBondContact O-OD1 2.88Å; L3041-N3044 PolarHBondContact O-N 3.48Å; L3041-N3044 VanDerWaalsContact O-N 3.11Å
3045Y86Confident80.9Confident38 Ų3882.8 Ų82.815%0.14941%0.406CS..THydrogen-bonded Turntrans-10217.7-179.2-62.1-71.5000113.9I2961 F2971 E2974 F2975 L2978 L3041 R3043 V3047I2961-Y3045 WeakPolarHBondContact CG2-O 3.44Å; F2971-Y3045 HydrophobicContact CB-CD1 4.41Å; F2971-Y3045 HydrophobicContact CB-CE1 4Å; F2971-Y3045 HydrophobicContact CD1-CD1 4.47Å; F2971-Y3045 AromaticContact CD2-CD1 3.45Å; F2971-Y3045 HydrophobicContact CD2-CD1 3.45Å; F2971-Y3045 VanDerWaalsContact CD2-CD1 3.45Å; F2971-Y3045 AromaticContact CD2-CE1 3.85Å; F2971-Y3045 HydrophobicContact CD2-CE1 3.85Å; F2971-Y3045 HydrophobicContact CD2-CG 4.32Å; F2971-Y3045 AromaticContact CE2-CD1 3.68Å; F2971-Y3045 HydrophobicContact CE2-CD1 3.68Å; F2971-Y3045 HydrophobicContact CE2-CG 4.26Å; F2971-Y3045 AromaticContact CG-CD1 3.89Å; F2971-Y3045 HydrophobicContact CG-CD1 3.89Å; F2971-Y3045 HydrophobicContact CG-CE1 4Å; F2971-Y3045 HydrophobicContact CZ-CD1 4.28Å; E2974-Y3045 WeakPolarHBondContact CG-OH 3.38Å; F2975-Y3045 AromaticContact CD2-CD2 3.65Å; F2975-Y3045 HydrophobicContact CD2-CD2 3.65Å; F2975-Y3045 HydrophobicContact CD2-CE2 4.34Å; F2975-Y3045 AromaticContact CD2-CG 3.74Å; F2975-Y3045 HydrophobicContact CD2-CG 3.74Å; F2975-Y3045 HydrophobicContact CE2-CD2 4.29Å; F2975-Y3045 HydrophobicContact CE2-CG 4.37Å; L2978-Y3045 HydrophobicContact CD1-CE2 4Å; L3041-Y3045 HydrophobicContact CD2-CD2 4.03Å; L3041-Y3045 HydrophobicContact CG-CD2 4.15Å; L3041-Y3045 HydrophobicContact CG-CE2 4.34Å; L3041-Y3045 VanDerWaalsContact O-CD2 3.3Å; L3041-Y3045 WeakPolarHBondContact O-CD2 3.38Å; L3041-Y3045 PolarHBondContact O-N 3.34Å; R3043-Y3045 VanDerWaalsContact C-N 3.34Å; Y3045-V3047 VanDerWaalsContact C-N 3.28Å; Y3045-V3047 PolarHBondContact O-N 3.02Å; Y3045-V3047 VanDerWaalsContact O-N 3.14Å
3046N87.4Confident79.5Confident79 Ų7982.7 Ų82.742%0.42242%0.416SS..THydrogen-bonded Turntrans49.539.4175.9-62.2-36.2000115.4N2962 F3042 L3048N2962-N3046 HydrophobicContact CB-CB 4.21Å; N2962-N3046 PolarHBondContact N-O 2.82Å; F3042-N3046 PolarHBondContact O-N 3.29Å; N3046-L3048 PolarHBondContact O-N 3.41Å
3047V86.9Confident77.8Confident22 Ų2282.2 Ų82.213%0.13341%0.413CS..EExtended strand (participates in β ladder)trans-70.1125.5174.6179.90000109.5I2959 I2961 F2975 F3042 Y3045 V3050I2959-V3047 HydrophobicContact CG2-CG1 3.69Å; I2959-V3047 HydrophobicContact CG2-CG2 4.27Å; I2961-V3047 HydrophobicContact CG1-CG2 4.28Å; F2975-V3047 HydrophobicContact CE2-CG2 3.62Å; F2975-V3047 HydrophobicContact CZ-CG2 3.84Å; F3042-V3047 HydrophobicContact CB-CB 3.86Å; F3042-V3047 HydrophobicContact CB-CG2 4.26Å; F3042-V3047 HydrophobicContact CD1-CB 4.01Å; F3042-V3047 HydrophobicContact CD1-CG1 4.17Å; F3042-V3047 HydrophobicContact CD1-CG2 3.77Å; F3042-V3047 HydrophobicContact CE1-CG2 4.5Å; F3042-V3047 HydrophobicContact CG-CB 3.98Å; F3042-V3047 HydrophobicContact CG-CG1 4.19Å; F3042-V3047 HydrophobicContact CG-CG2 4.24Å; F3042-V3047 PolarHBondContact O-N 3.1Å; Y3045-V3047 VanDerWaalsContact C-N 3.28Å; Y3045-V3047 PolarHBondContact O-N 3.02Å; Y3045-V3047 VanDerWaalsContact O-N 3.14Å; V3047-V3050 HydrophobicContact CG1-CG2 4.19Å
3048L86.1Confident76.1Confident94 Ų9482.7 Ų82.749%0.49242%0.419SS..EExtended strand (participates in β ladder)trans-91.9-45.9-179.6-64.3179000112.6V2960 N2962 Q3006 N3046V2960-L3048 HydrophobicContact CB-CB 4.45Å; V2960-L3048 HydrophobicContact CG1-CB 4.42Å; V2960-L3048 HydrophobicContact CG1-CD1 4.23Å; V2960-L3048 PolarHBondContact O-N 2.82Å; N2962-L3048 HydrophobicContact CB-CD1 3.85Å; N2962-L3048 HydrophobicContact CB-CD2 4.03Å; N2962-L3048 HydrophobicContact CB-CG 3.89Å; Q3006-L3048 HydrophobicContact CG-CD1 3.99Å; Q3006-L3048 VanDerWaalsContact NE2-CD1 3.25Å; N3046-L3048 PolarHBondContact O-N 3.41Å
3049D85.4Confident74Confident86 Ų8688.7 Ų88.746%0.4646%0.458SS..EExtended strand (participates in β ladder)trans-153.6157.6-171.5-156.11.4000112.2V2960V2960-D3049 HydrophobicContact CB-CB 4.39Å; V2960-D3049 HydrophobicContact CG2-CB 4.44Å; V2960-D3049 PolarHBondContact N-O 2.82Å
3050V87Confident72.3Confident30 Ų3086 Ų8618%0.18246%0.458CS..EExtended strand (participates in β ladder)trans-139.5113.3177.1-178.10000108.8V2957 K2958 I2959 I3031 F3042 V3047V2957-V3050 HydrophobicContact CG1-CG1 3.72Å; K2958-V3050 WeakPolarHBondContact O-CA 3.32Å; I2959-V3050 HydrophobicContact CG1-CG1 4.26Å; I2959-V3050 HydrophobicContact CG1-CG2 4.23Å; I2959-V3050 HydrophobicContact CG2-CG2 4.42Å; I3031-V3050 HydrophobicContact CD1-CG1 3.92Å; F3042-V3050 HydrophobicContact CE2-CG2 4.26Å; F3042-V3050 HydrophobicContact CZ-CG2 4.12Å; V3047-V3050 HydrophobicContact CG1-CG2 4.19Å
3051Q85.2Confident70.7Confident55 Ų5588.1 Ų88.126%0.25747%0.469SS..EExtended strand (participates in β ladder)trans-140.1163.2-172.856.2164.858.400112.1V2957 K2958V2957-Q3051 WeakPolarHBondContact CG1-O 3.36Å; K2958-Q3051 HydrophobicContact CB-CG 4.16Å; K2958-Q3051 HydrophobicContact CD-CG 4.35Å; K2958-Q3051 HydrophobicContact CG-CG 4.07Å; K2958-Q3051 PolarHBondContact N-O 3.34Å; K2958-Q3051 PolarHBondContact O-N 3.42Å
3052P83.7Confident69.3Low45 Ų4591.7 Ų91.729%0.29249%0.486SS..EExtended strand (participates in β ladder)trans-56.2142.9166.5-23.634.9000111.6V3024 I3028 I3054V3024-P3052 HydrophobicContact CG1-CB 3.87Å; V3024-P3052 HydrophobicContact CG1-CG 3.83Å; I3028-P3052 HydrophobicContact CD1-CG 3.92Å; P3052-I3054 WeakPolarHBondContact CB-O 3.48Å
3053A73.3Confident68.5Low33 Ų3392.8 Ų92.827%0.27350%0.499SS..SBendtrans-66.3-46.8174.500000111.1R2956 L3010R2956-A3053 HydrophobicContact CB-CB 3.53Å; R2956-A3053 VanDerWaalsContact O-CB 3.29Å; R2956-A3053 WeakPolarHBondContact O-CB 3.37Å; R2956-A3053 PolarHBondContact O-N 2.92Å; L3010-A3053 HydrophobicContact CD2-CB 3.79Å
3054I69.6Low67.5Low88 Ų8887.6 Ų87.645%0.45150%0.499SS..SBendtrans-91.2108.4163.8-65.1-174.1000109D2953 P3052 V3056D2953-I3054 HydrophobicContact CB-CD1 3.38Å; D2953-I3054 HydrophobicContact CB-CG1 3.89Å; P3052-I3054 WeakPolarHBondContact CB-O 3.48Å; I3054-V3056 PolarHBondContact O-N 2.79Å
3055S57.1Low66.9Low84 Ų8487.5 Ų87.559%0.58750%0.498SS*.  trans-65.3114.6159.357.60000108.7Q3057S3055-Q3057 PolarHBondContact O-N 3.44Å
3056V48.1Very low66.4Low125 Ų12589.9 Ų89.976%0.75851%0.51SS*.  trans-58.5108.2167.4177.40000107.3I3054 L3058I3054-V3056 PolarHBondContact O-N 2.79Å; V3056-L3058 PolarHBondContact O-N 2.86Å
3057Q42Very low65.8Low170 Ų17090.8 Ų90.879%0.79451%0.513SS*.  trans-60104.9166.3-78.3-178.5-1600107.1S3055S3055-Q3057 PolarHBondContact O-N 3.44Å
3058L39.5Very low65.3Low125 Ų12592.3 Ų92.365%0.65453%0.529SS*.  trans-50.4151.4145.6-75.8103.6000107.2V3056 D3060V3056-L3058 PolarHBondContact O-N 2.86Å; L3058-D3060 PolarHBondContact O-N 3.05Å
3059P37.4Very low65Low127 Ų12792.4 Ų92.483%0.82553%0.528SS*.  trans-68.279.5178.128.8-34.9000109.7D3061P3059-D3061 VanDerWaalsContact C-N 3.33Å; P3059-D3061 PolarHBondContact O-N 2.81Å
3060D43.2Very low64.8Low131 Ų13190.9 Ų90.970%0.70152%0.52SS*.  trans-71.290.1-175.7-90-10.9000109L3058 M3062L3058-D3060 PolarHBondContact O-N 3.05Å; D3060-M3062 PolarHBondContact O-N 2.85Å
3061D47.4Very low64.5Low143 Ų14392.9 Ų92.977%0.76553%0.532SS*.SBend34.968.8119.2-81.9-11.9000114.8P3059P3059-D3061 VanDerWaalsContact C-N 3.33Å; P3059-D3061 PolarHBondContact O-N 2.81Å
3062M54.8Low64.6Low86 Ų8695 Ų9542%0.42454%0.544SS..  trans56.3106153.7-60-64.4-99.800114.9D3060 Q3066 M3067 I3070D3060-M3062 PolarHBondContact O-N 2.85Å; M3062-Q3066 HydrophobicContact CB-CB 3.8Å; M3062-Q3066 HydrophobicContact CE-CB 4.07Å; M3062-Q3066 HydrophobicContact CG-CB 4.48Å; M3062-Q3066 HydrophobicContact SD-CB 4.1Å; M3062-Q3066 HydrophobicContact SD-CG 4.47Å; M3062-M3067 HydrophobicContact CB-CG 4.04Å; M3062-M3067 VanDerWaalsContact O-CG 3.27Å; M3062-M3067 WeakPolarHBondContact O-CG 3.37Å; M3062-I3070 HydrophobicContact CB-CD1 3.94Å; M3062-I3070 HydrophobicContact CE-CD1 3.42Å; M3062-I3070 VanDerWaalsContact CE-CD1 3.42Å; M3062-I3070 HydrophobicContact CE-CG1 4.07Å; M3062-I3070 HydrophobicContact CG-CD1 3.64Å; M3062-I3070 HydrophobicContact SD-CD1 4.36Å
3063S68.2Low64.6Low64 Ų6495.2 Ų95.245%0.44855%0.55SS.*  trans-44.2154.7179.181.80000113.1L3065 Q3066 M3067S3063-L3065 CarbonylContact O-C 3.57Å; S3063-L3065 PolarHBondContact O-N 2.99Å; S3063-Q3066 VanDerWaalsContact N-OE1 3.09Å; S3063-Q3066 CarbonylContact O-C 3.53Å; S3063-Q3066 WeakPolarHBondContact O-CA 3.44Å; S3063-Q3066 WeakPolarHBondContact O-CB 3.29Å; S3063-Q3066 PolarHBondContact O-N 2.78Å; S3063-Q3066 PolarHBondContact OG-N 2.75Å; S3063-Q3066 VanDerWaalsContact OG-N 3.16Å; S3063-M3067 PolarHBondContact O-N 2.7Å
3064A63.6Low65.3Low92 Ų9298 Ų9876%0.7656%0.56SS**Hα-helixtrans-50.7-29.7-18000000113.6A3068A3064-A3068 WeakPolarHBondContact O-CB 3.32Å; A3064-A3068 PolarHBondContact O-N 3.29Å
3065L72.8Confident66.1Low120 Ų12098.8 Ų98.863%0.62856%0.564SS**Hα-helixtrans-76.6-38.4171-177.8136.5000113.5S3063 A3068 I3069S3063-L3065 CarbonylContact O-C 3.57Å; S3063-L3065 PolarHBondContact O-N 2.99Å; L3065-A3068 CarbonylContact O-C 3.58Å; L3065-A3068 PolarHBondContact O-N 3.42Å; L3065-I3069 HydrophobicContact CD2-CD1 3.55Å; L3065-I3069 HydrophobicContact CG-CD1 4.18Å; L3065-I3069 VanDerWaalsContact O-CB 3.32Å; L3065-I3069 WeakPolarHBondContact O-CB 3.39Å; L3065-I3069 WeakPolarHBondContact O-CG1 3.5Å; L3065-I3069 PolarHBondContact O-N 3.06Å
3066Q75.3Confident67.6Low88 Ų88100 Ų10041%0.41156%0.564SS.*Hα-helixtrans-68-39.4170.1-72.5173.6-33.200112.6M3062 S3063 I3069 I3070M3062-Q3066 HydrophobicContact CB-CB 3.8Å; M3062-Q3066 HydrophobicContact CE-CB 4.07Å; M3062-Q3066 HydrophobicContact CG-CB 4.48Å; M3062-Q3066 HydrophobicContact SD-CB 4.1Å; M3062-Q3066 HydrophobicContact SD-CG 4.47Å; S3063-Q3066 VanDerWaalsContact N-OE1 3.09Å; S3063-Q3066 CarbonylContact O-C 3.53Å; S3063-Q3066 WeakPolarHBondContact O-CA 3.44Å; S3063-Q3066 WeakPolarHBondContact O-CB 3.29Å; S3063-Q3066 PolarHBondContact O-N 2.78Å; S3063-Q3066 PolarHBondContact OG-N 2.75Å; S3063-Q3066 VanDerWaalsContact OG-N 3.16Å; Q3066-I3069 CarbonylContact O-C 3.55Å; Q3066-I3069 PolarHBondContact O-N 3.39Å; Q3066-I3070 WeakPolarHBondContact O-CB 3.43Å; Q3066-I3070 VanDerWaalsContact O-CG1 3.26Å; Q3066-I3070 WeakPolarHBondContact O-CG1 3.37Å; Q3066-I3070 PolarHBondContact O-N 2.74Å
3067M75.5Confident69.5Low98 Ų98101 Ų10148%0.48356%0.558SS.*Hα-helixtrans-64.1-41.4169-92.4-71.9-84.600111.3M3062 S3063 I3069 I3070 V3071M3062-M3067 HydrophobicContact CB-CG 4.04Å; M3062-M3067 VanDerWaalsContact O-CG 3.27Å; M3062-M3067 WeakPolarHBondContact O-CG 3.37Å; S3063-M3067 PolarHBondContact O-N 2.7Å; M3067-I3069 VanDerWaalsContact C-N 3.34Å; M3067-I3069 PolarHBondContact O-N 2.85Å; M3067-I3070 PolarHBondContact O-N 2.94Å; M3067-V3071 VanDerWaalsContact O-CB 3.28Å; M3067-V3071 WeakPolarHBondContact O-CB 3.5Å; M3067-V3071 VanDerWaalsContact O-CG2 3.25Å; M3067-V3071 WeakPolarHBondContact O-CG2 3.39Å; M3067-V3071 PolarHBondContact O-N 3.36Å
3068A75.5Confident71.6Confident55 Ų5596.5 Ų96.546%0.45554%0.539SS..Hα-helixtrans-64.6-36.3171.400000112.1A3064 L3065 L3072A3064-A3068 WeakPolarHBondContact O-CB 3.32Å; A3064-A3068 PolarHBondContact O-N 3.29Å; L3065-A3068 CarbonylContact O-C 3.58Å; L3065-A3068 PolarHBondContact O-N 3.42Å; A3068-L3072 WeakPolarHBondContact O-CA 3.28Å; A3068-L3072 WeakPolarHBondContact O-CB 3.34Å; A3068-L3072 PolarHBondContact O-N 2.92Å
3069I79.7Confident73.8Confident95 Ų9593.1 Ų93.149%0.48753%0.529SS..Hα-helixtrans-70.5-37.6173.6-74166.6000111.2L3065 Q3066 M3067 A3073L3065-I3069 HydrophobicContact CD2-CD1 3.55Å; L3065-I3069 HydrophobicContact CG-CD1 4.18Å; L3065-I3069 VanDerWaalsContact O-CB 3.32Å; L3065-I3069 WeakPolarHBondContact O-CB 3.39Å; L3065-I3069 WeakPolarHBondContact O-CG1 3.5Å; L3065-I3069 PolarHBondContact O-N 3.06Å; Q3066-I3069 CarbonylContact O-C 3.55Å; Q3066-I3069 PolarHBondContact O-N 3.39Å; M3067-I3069 VanDerWaalsContact C-N 3.34Å; M3067-I3069 PolarHBondContact O-N 2.85Å; I3069-A3073 WeakPolarHBondContact O-CA 3.35Å; I3069-A3073 WeakPolarHBondContact O-CB 3.15Å; I3069-A3073 PolarHBondContact O-N 2.9Å
3070I81Confident76.1Confident55 Ų5589.5 Ų89.528%0.28251%0.51SS..Hα-helixtrans-66.5-47.5173.3-73160.6000109.5M3062 Q3066 M3067 L3072 A3073 I3074M3062-I3070 HydrophobicContact CB-CD1 3.94Å; M3062-I3070 HydrophobicContact CE-CD1 3.42Å; M3062-I3070 VanDerWaalsContact CE-CD1 3.42Å; M3062-I3070 HydrophobicContact CE-CG1 4.07Å; M3062-I3070 HydrophobicContact CG-CD1 3.64Å; M3062-I3070 HydrophobicContact SD-CD1 4.36Å; Q3066-I3070 WeakPolarHBondContact O-CB 3.43Å; Q3066-I3070 VanDerWaalsContact O-CG1 3.26Å; Q3066-I3070 WeakPolarHBondContact O-CG1 3.37Å; Q3066-I3070 PolarHBondContact O-N 2.74Å; M3067-I3070 PolarHBondContact O-N 2.94Å; I3070-L3072 VanDerWaalsContact C-N 3.33Å; I3070-L3072 PolarHBondContact O-N 2.53Å; I3070-A3073 CarbonylContact O-C 3.58Å; I3070-A3073 PolarHBondContact O-N 3.15Å; I3070-I3074 HydrophobicContact CG2-CD1 3.52Å; I3070-I3074 HydrophobicContact CG2-CG1 4.17Å; I3070-I3074 VanDerWaalsContact O-CB 3.24Å; I3070-I3074 WeakPolarHBondContact O-CB 3.22Å; I3070-I3074 WeakPolarHBondContact O-CG1 3.45Å; I3070-I3074 PolarHBondContact O-N 3.06Å
3071V82.2Confident78.2Confident71 Ų7187.1 Ų87.143%0.4350%0.496SS..Hα-helixtrans-64.3-39.8177.3169.60000110.3M3067 L3075M3067-V3071 VanDerWaalsContact O-CB 3.28Å; M3067-V3071 WeakPolarHBondContact O-CB 3.5Å; M3067-V3071 VanDerWaalsContact O-CG2 3.25Å; M3067-V3071 WeakPolarHBondContact O-CG2 3.39Å; M3067-V3071 PolarHBondContact O-N 3.36Å; V3071-L3075 HydrophobicContact CG1-CD1 3.88Å; V3071-L3075 HydrophobicContact CG1-CG 4.4Å; V3071-L3075 WeakPolarHBondContact O-CB 3.5Å; V3071-L3075 WeakPolarHBondContact O-CG 3.49Å; V3071-L3075 PolarHBondContact O-N 3.14Å
3072L86Confident80.1Confident99 Ų9985.5 Ų85.552%0.51849%0.486SS..Hα-helixtrans-69.1-35.7173.8-175.467.3000111.8A3068 I3070 L3075 L3076A3068-L3072 WeakPolarHBondContact O-CA 3.28Å; A3068-L3072 WeakPolarHBondContact O-CB 3.34Å; A3068-L3072 PolarHBondContact O-N 2.92Å; I3070-L3072 VanDerWaalsContact C-N 3.33Å; I3070-L3072 PolarHBondContact O-N 2.53Å; L3072-L3075 PolarHBondContact O-N 2.85Å; L3072-L3076 HydrophobicContact CG-CD1 4.07Å; L3072-L3076 HydrophobicContact CG-CG 4.46Å; L3072-L3076 WeakPolarHBondContact O-CA 3.49Å; L3072-L3076 WeakPolarHBondContact O-CB 3.5Å; L3072-L3076 WeakPolarHBondContact O-CG 3.14Å; L3072-L3076 PolarHBondContact O-N 2.88Å
3073A85.1Confident81.6Confident51 Ų5187.4 Ų87.442%0.42149%0.492SS..Hα-helixtrans-74.9-34.517600000111.7I3069 I3070 F3077I3069-A3073 WeakPolarHBondContact O-CA 3.35Å; I3069-A3073 WeakPolarHBondContact O-CB 3.15Å; I3069-A3073 PolarHBondContact O-N 2.9Å; I3070-A3073 CarbonylContact O-C 3.58Å; I3070-A3073 PolarHBondContact O-N 3.15Å; A3073-F3077 WeakPolarHBondContact O-CA 3.36Å; A3073-F3077 WeakPolarHBondContact O-CB 3.28Å; A3073-F3077 PolarHBondContact O-N 3.3Å
3074I86.9Confident82.5Confident92 Ų9289 Ų8947%0.47250%0.499SS..Hα-helixtrans-70.5-39170.6-72.5172000109.6I3070 F3077 L3078I3070-I3074 HydrophobicContact CG2-CD1 3.52Å; I3070-I3074 HydrophobicContact CG2-CG1 4.17Å; I3070-I3074 VanDerWaalsContact O-CB 3.24Å; I3070-I3074 WeakPolarHBondContact O-CB 3.22Å; I3070-I3074 WeakPolarHBondContact O-CG1 3.45Å; I3070-I3074 PolarHBondContact O-N 3.06Å; I3074-F3077 PolarHBondContact O-N 3.41Å; I3074-L3078 HydrophobicContact CG2-CD1 3.87Å; I3074-L3078 HydrophobicContact CG2-CG 4.46Å; I3074-L3078 WeakPolarHBondContact O-CA 3.46Å; I3074-L3078 WeakPolarHBondContact O-CB 3.39Å; I3074-L3078 VanDerWaalsContact O-CG 3.31Å; I3074-L3078 WeakPolarHBondContact O-CG 3.49Å; I3074-L3078 PolarHBondContact O-N 2.79Å
3075L87Confident83.5Confident103 Ų10388.2 Ų88.254%0.53948%0.482SS..Hα-helixtrans-69.9-39173.4-79.6169.1000111.6V3071 L3072 A3079V3071-L3075 HydrophobicContact CG1-CD1 3.88Å; V3071-L3075 HydrophobicContact CG1-CG 4.4Å; V3071-L3075 WeakPolarHBondContact O-CB 3.5Å; V3071-L3075 WeakPolarHBondContact O-CG 3.49Å; V3071-L3075 PolarHBondContact O-N 3.14Å; L3072-L3075 PolarHBondContact O-N 2.85Å; L3075-A3079 WeakPolarHBondContact O-CA 3.15Å; L3075-A3079 WeakPolarHBondContact O-CB 3.5Å; L3075-A3079 PolarHBondContact O-N 3Å
3076L88.7Confident84Confident111 Ų11186.3 Ų86.358%0.58147%0.471SS*.Hα-helixtrans-70.9-35.3173.3-79.3169.5000111.2L3072 A3080L3072-L3076 HydrophobicContact CG-CD1 4.07Å; L3072-L3076 HydrophobicContact CG-CG 4.46Å; L3072-L3076 WeakPolarHBondContact O-CA 3.49Å; L3072-L3076 WeakPolarHBondContact O-CB 3.5Å; L3072-L3076 WeakPolarHBondContact O-CG 3.14Å; L3072-L3076 PolarHBondContact O-N 2.88Å; L3076-A3080 WeakPolarHBondContact O-CA 3.48Å; L3076-A3080 WeakPolarHBondContact O-CB 3.42Å; L3076-A3080 PolarHBondContact O-N 3.36Å
3077F87.8Confident84.3Confident144 Ų14485.5 Ų85.563%0.63247%0.469SS*.Hα-helixtrans-72.3-39.7173.5-176.9-94.2000111.1A3073 I3074 A3080 M3081A3073-F3077 WeakPolarHBondContact O-CA 3.36Å; A3073-F3077 WeakPolarHBondContact O-CB 3.28Å; A3073-F3077 PolarHBondContact O-N 3.3Å; I3074-F3077 PolarHBondContact O-N 3.41Å; F3077-A3080 PolarHBondContact O-N 2.94Å; F3077-M3081 WeakPolarHBondContact O-CA 3.49Å; F3077-M3081 WeakPolarHBondContact O-CB 3.23Å; F3077-M3081 PolarHBondContact O-N 3.09Å
3078L87Confident84.6Confident77 Ų7789 Ų8940%0.40348%0.477SS..Hα-helixtrans-68.8-36.5172-83.3167.6000111.5I3074 M3081 L3082I3074-L3078 HydrophobicContact CG2-CD1 3.87Å; I3074-L3078 HydrophobicContact CG2-CG 4.46Å; I3074-L3078 WeakPolarHBondContact O-CA 3.46Å; I3074-L3078 WeakPolarHBondContact O-CB 3.39Å; I3074-L3078 VanDerWaalsContact O-CG 3.31Å; I3074-L3078 WeakPolarHBondContact O-CG 3.49Å; I3074-L3078 PolarHBondContact O-N 2.79Å; L3078-M3081 HydrophobicContact CD2-CE 4.47Å; L3078-L3082 WeakPolarHBondContact O-CA 3.29Å; L3078-L3082 WeakPolarHBondContact O-CB 3.45Å; L3078-L3082 WeakPolarHBondContact O-CG 3.47Å; L3078-L3082 PolarHBondContact O-N 3.08Å
3079A84.7Confident84.7Confident54 Ų5493 Ų9345%0.44648%0.481SS..Hα-helixtrans-73.9-34.7175.300000111.3L3075 F3083L3075-A3079 WeakPolarHBondContact O-CA 3.15Å; L3075-A3079 WeakPolarHBondContact O-CB 3.5Å; L3075-A3079 PolarHBondContact O-N 3Å; A3079-F3083 WeakPolarHBondContact O-CA 3.28Å; A3079-F3083 WeakPolarHBondContact O-CB 3.1Å; A3079-F3083 PolarHBondContact O-N 3.01Å
3080A86.4Confident84.6Confident51 Ų5194 Ų9442%0.42148%0.48SS..Hα-helixtrans-74.6-37.7172.300000111.3L3076 F3077 F3083 V3084L3076-A3080 WeakPolarHBondContact O-CA 3.48Å; L3076-A3080 WeakPolarHBondContact O-CB 3.42Å; L3076-A3080 PolarHBondContact O-N 3.36Å; F3077-A3080 PolarHBondContact O-N 2.94Å; A3080-F3083 CarbonylContact O-C 3.56Å; A3080-F3083 PolarHBondContact O-N 3.14Å; A3080-V3084 VanDerWaalsContact O-CB 3.26Å; A3080-V3084 WeakPolarHBondContact O-CB 3.31Å; A3080-V3084 WeakPolarHBondContact O-CG2 3.33Å; A3080-V3084 PolarHBondContact O-N 2.89Å
3081M87.5Confident84.4Confident81 Ų8199.8 Ų99.840%0.39950%0.498SS..Hα-helixtrans-71.1-38.6173.5-167.3-163.784.300110.4F3077 L3078 V3084 L3085F3077-M3081 WeakPolarHBondContact O-CA 3.49Å; F3077-M3081 WeakPolarHBondContact O-CB 3.23Å; F3077-M3081 PolarHBondContact O-N 3.09Å; L3078-M3081 HydrophobicContact CD2-CE 4.47Å; M3081-V3084 PolarHBondContact O-N 3.21Å; M3081-L3085 HydrophobicContact CE-CD1 3.75Å; M3081-L3085 HydrophobicContact CG-CD1 4.43Å; M3081-L3085 HydrophobicContact CG-CG 4.41Å; M3081-L3085 WeakPolarHBondContact O-CA 3.37Å; M3081-L3085 WeakPolarHBondContact O-CB 3.4Å; M3081-L3085 VanDerWaalsContact O-CG 3.28Å; M3081-L3085 WeakPolarHBondContact O-CG 3.43Å; M3081-L3085 PolarHBondContact O-N 3.03Å
3082L85.9Confident84Confident109 Ų10998.9 Ų98.957%0.57149%0.493SS*.Hα-helixtrans-64.2-41166.7-88.9163.6000110.1L3078 V3084 M3086L3078-L3082 WeakPolarHBondContact O-CA 3.29Å; L3078-L3082 WeakPolarHBondContact O-CB 3.45Å; L3078-L3082 WeakPolarHBondContact O-CG 3.47Å; L3078-L3082 PolarHBondContact O-N 3.08Å; L3082-V3084 VanDerWaalsContact C-N 3.35Å; L3082-V3084 PolarHBondContact O-N 2.76Å; L3082-M3086 VanDerWaalsContact O-CA 3.26Å; L3082-M3086 WeakPolarHBondContact O-CA 3.42Å; L3082-M3086 WeakPolarHBondContact O-CB 3.25Å; L3082-M3086 PolarHBondContact O-N 2.86Å
3083F86.8Confident83.2Confident126 Ų12695.4 Ų95.455%0.55348%0.475SS*.Hα-helixtrans-68.7-34.9177.8-174.3-99.6000111.4A3079 A3080 M3086 N3087A3079-F3083 WeakPolarHBondContact O-CA 3.28Å; A3079-F3083 WeakPolarHBondContact O-CB 3.1Å; A3079-F3083 PolarHBondContact O-N 3.01Å; A3080-F3083 CarbonylContact O-C 3.56Å; A3080-F3083 PolarHBondContact O-N 3.14Å; F3083-M3086 HydrophobicContact CD2-CE 4.31Å; F3083-N3087 WeakPolarHBondContact CD1-ND2 3.36Å; F3083-N3087 WeakPolarHBondContact CE1-ND2 2.97Å; F3083-N3087 WeakPolarHBondContact CE2-ND2 3.41Å; F3083-N3087 WeakPolarHBondContact CZ-ND2 3.24Å; F3083-N3087 WeakPolarHBondContact O-CA 3.46Å; F3083-N3087 WeakPolarHBondContact O-CB 3.48Å; F3083-N3087 PolarHBondContact O-N 3.15Å; F3083-N3087 PolarHBondContact O-ND2 2.9Å
3084V86Confident82.2Confident97 Ų9797.5 Ų97.559%0.58848%0.475SS*.Hα-helixtrans-75.4-42.1175.6167.70000111A3080 M3081 L3082 W3088A3080-V3084 VanDerWaalsContact O-CB 3.26Å; A3080-V3084 WeakPolarHBondContact O-CB 3.31Å; A3080-V3084 WeakPolarHBondContact O-CG2 3.33Å; A3080-V3084 PolarHBondContact O-N 2.89Å; M3081-V3084 PolarHBondContact O-N 3.21Å; L3082-V3084 VanDerWaalsContact C-N 3.35Å; L3082-V3084 PolarHBondContact O-N 2.76Å; V3084-W3088 WeakPolarHBondContact O-CA 3.31Å; V3084-W3088 WeakPolarHBondContact O-CB 3.38Å; V3084-W3088 PolarHBondContact O-N 3.18Å
3085L85.4Confident81.1Confident75 Ų7599.9 Ų99.939%0.39348%0.482SS..Hα-helixtrans-69.7-34.2172.5-77.5-176.8000111.7M3081 W3088 Y3089M3081-L3085 HydrophobicContact CE-CD1 3.75Å; M3081-L3085 HydrophobicContact CG-CD1 4.43Å; M3081-L3085 HydrophobicContact CG-CG 4.41Å; M3081-L3085 WeakPolarHBondContact O-CA 3.37Å; M3081-L3085 WeakPolarHBondContact O-CB 3.4Å; M3081-L3085 VanDerWaalsContact O-CG 3.28Å; M3081-L3085 WeakPolarHBondContact O-CG 3.43Å; M3081-L3085 PolarHBondContact O-N 3.03Å; L3085-W3088 HydrophobicContact CD2-CE3 3.77Å; L3085-W3088 HydrophobicContact CD2-CZ3 4.14Å; L3085-W3088 PolarHBondContact O-N 3.25Å; L3085-Y3089 WeakPolarHBondContact O-CA 3.47Å; L3085-Y3089 WeakPolarHBondContact O-CB 3.37Å; L3085-Y3089 PolarHBondContact O-N 3.25Å
3086M82.8Confident79.7Confident81 Ų81104 Ų10440%0.39949%0.491SS..Hα-helixtrans-78.8-31.5176.9-168.9-162.97400109.8L3082 F3083 Y3090L3082-M3086 VanDerWaalsContact O-CA 3.26Å; L3082-M3086 WeakPolarHBondContact O-CA 3.42Å; L3082-M3086 WeakPolarHBondContact O-CB 3.25Å; L3082-M3086 PolarHBondContact O-N 2.86Å; F3083-M3086 HydrophobicContact CD2-CE 4.31Å; M3086-Y3090 HydrophobicContact CE-CD2 4Å; M3086-Y3090 HydrophobicContact CE-CE2 3.87Å; M3086-Y3090 HydrophobicContact CG-CD2 3.59Å; M3086-Y3090 HydrophobicContact CG-CE2 3.53Å; M3086-Y3090 WeakPolarHBondContact O-CA 3.38Å; M3086-Y3090 WeakPolarHBondContact O-CB 3.38Å; M3086-Y3090 WeakPolarHBondContact O-CD2 3.28Å; M3086-Y3090 PolarHBondContact O-N 2.88Å; M3086-Y3090 HydrophobicContact SD-CD2 4.19Å; M3086-Y3090 HydrophobicContact SD-CE2 3.7Å
3087N81.8Confident78.1Confident71 Ų71103.3 Ų103.338%0.3848%0.483SS..Hα-helixtrans-75.5-32.2167-87.8-88.5000111.7F3083 Y3090 R3091F3083-N3087 WeakPolarHBondContact CD1-ND2 3.36Å; F3083-N3087 WeakPolarHBondContact CE1-ND2 2.97Å; F3083-N3087 WeakPolarHBondContact CE2-ND2 3.41Å; F3083-N3087 WeakPolarHBondContact CZ-ND2 3.24Å; F3083-N3087 WeakPolarHBondContact O-CA 3.46Å; F3083-N3087 WeakPolarHBondContact O-CB 3.48Å; F3083-N3087 PolarHBondContact O-N 3.15Å; F3083-N3087 PolarHBondContact O-ND2 2.9Å; N3087-Y3090 CarbonylContact O-C 3.59Å; N3087-R3091 WeakPolarHBondContact O-CA 3.12Å; N3087-R3091 WeakPolarHBondContact O-CB 3.35Å; N3087-R3091 PolarHBondContact O-N 2.8Å
3088W81.4Confident76.5Confident170 Ų170102.5 Ų102.564%0.64448%0.484SS*.Hα-helixtrans-74.9-38174.7-177.155000110.8V3084 L3085 R3091 T3092V3084-W3088 WeakPolarHBondContact O-CA 3.31Å; V3084-W3088 WeakPolarHBondContact O-CB 3.38Å; V3084-W3088 PolarHBondContact O-N 3.18Å; L3085-W3088 HydrophobicContact CD2-CE3 3.77Å; L3085-W3088 HydrophobicContact CD2-CZ3 4.14Å; L3085-W3088 PolarHBondContact O-N 3.25Å; W3088-R3091 CarbonylContact O-C 3.59Å; W3088-R3091 PolarHBondContact O-N 3.1Å; W3088-T3092 VanDerWaalsContact O-CB 3.28Å; W3088-T3092 WeakPolarHBondContact O-CB 3.42Å; W3088-T3092 VanDerWaalsContact O-CG2 3.25Å; W3088-T3092 WeakPolarHBondContact O-CG2 3.39Å; W3088-T3092 PolarHBondContact O-N 2.66Å; W3088-T3092 PolarHBondContact O-OG1 3.2Å
3089Y79.2Confident74.8Confident140 Ų140107.6 Ų107.655%0.54950%0.503SS..Hα-helixtrans-62.8-62.1167.2-174.4-107.4000108.2L3085 R3091 T3092 I3093L3085-Y3089 WeakPolarHBondContact O-CA 3.47Å; L3085-Y3089 WeakPolarHBondContact O-CB 3.37Å; L3085-Y3089 PolarHBondContact O-N 3.25Å; Y3089-R3091 PolarHBondContact O-N 2.64Å; Y3089-T3092 WeakPolarHBondContact CA-OG1 2.99Å; Y3089-T3092 CarbonylContact O-C 3.55Å; Y3089-T3092 PolarHBondContact O-N 2.82Å; Y3089-T3092 PolarHBondContact O-OG1 2.72Å; Y3089-T3092 VanDerWaalsContact O-OG1 3.06Å; Y3089-I3093 HydrophobicContact CD1-CG1 3.76Å; Y3089-I3093 HydrophobicContact CD2-CD1 4.25Å; Y3089-I3093 HydrophobicContact CD2-CG1 3.61Å; Y3089-I3093 HydrophobicContact CE1-CD1 4.08Å; Y3089-I3093 HydrophobicContact CE1-CG1 3.65Å; Y3089-I3093 HydrophobicContact CE2-CD1 3.61Å; Y3089-I3093 HydrophobicContact CE2-CG1 3.47Å; Y3089-I3093 VanDerWaalsContact CE2-CG1 3.47Å; Y3089-I3093 HydrophobicContact CG-CG1 3.75Å; Y3089-I3093 VanDerWaalsContact CZ-CG1 3.5Å; Y3089-I3093 VanDerWaalsContact O-CA 3.31Å; Y3089-I3093 WeakPolarHBondContact O-CA 3.12Å; Y3089-I3093 WeakPolarHBondContact O-CB 3.46Å; Y3089-I3093 WeakPolarHBondContact O-CG1 3.23Å; Y3089-I3093 PolarHBondContact O-N 2.95Å
3090Y76.3Confident73.3Confident115 Ų115107.8 Ų107.845%0.45151%0.505SS..Hα-helixtrans-54.9-24.2173.4-80.9-57000113.9M3086 N3087 H3094M3086-Y3090 HydrophobicContact CE-CD2 4Å; M3086-Y3090 HydrophobicContact CE-CE2 3.87Å; M3086-Y3090 HydrophobicContact CG-CD2 3.59Å; M3086-Y3090 HydrophobicContact CG-CE2 3.53Å; M3086-Y3090 WeakPolarHBondContact O-CA 3.38Å; M3086-Y3090 WeakPolarHBondContact O-CB 3.38Å; M3086-Y3090 WeakPolarHBondContact O-CD2 3.28Å; M3086-Y3090 PolarHBondContact O-N 2.88Å; M3086-Y3090 HydrophobicContact SD-CD2 4.19Å; M3086-Y3090 HydrophobicContact SD-CE2 3.7Å; N3087-Y3090 CarbonylContact O-C 3.59Å; Y3090-H3094 VanDerWaalsContact O-CA 3.26Å; Y3090-H3094 WeakPolarHBondContact O-CA 3.14Å; Y3090-H3094 WeakPolarHBondContact O-CB 3.35Å; Y3090-H3094 PolarHBondContact O-CD2 3.36Å; Y3090-H3094 VanDerWaalsContact O-CG 3.27Å; Y3090-H3094 PolarHBondContact O-N 2.67Å
3091R77.4Confident71.6Confident178 Ų178109.8 Ų109.867%0.67251%0.508SS*.Hα-helixtrans-89-25.5175-167.3177.2-167.3-155.36.7113N3087 W3088 Y3089 K3095N3087-R3091 WeakPolarHBondContact O-CA 3.12Å; N3087-R3091 WeakPolarHBondContact O-CB 3.35Å; N3087-R3091 PolarHBondContact O-N 2.8Å; W3088-R3091 CarbonylContact O-C 3.59Å; W3088-R3091 PolarHBondContact O-N 3.1Å; Y3089-R3091 PolarHBondContact O-N 2.64Å; R3091-K3095 WeakPolarHBondContact O-CB 3.3Å; R3091-K3095 WeakPolarHBondContact O-CG 3.27Å; R3091-K3095 PolarHBondContact O-N 3.28Å
3092T73Confident69.8Low52 Ų52112.4 Ų112.432%0.31953%0.528SS..Hα-helixtrans-85.4-43.1171.752.80000111W3088 Y3089 K3095 R3096W3088-T3092 VanDerWaalsContact O-CB 3.28Å; W3088-T3092 WeakPolarHBondContact O-CB 3.42Å; W3088-T3092 VanDerWaalsContact O-CG2 3.25Å; W3088-T3092 WeakPolarHBondContact O-CG2 3.39Å; W3088-T3092 PolarHBondContact O-N 2.66Å; W3088-T3092 PolarHBondContact O-OG1 3.2Å; Y3089-T3092 WeakPolarHBondContact CA-OG1 2.99Å; Y3089-T3092 CarbonylContact O-C 3.55Å; Y3089-T3092 PolarHBondContact O-N 2.82Å; Y3089-T3092 PolarHBondContact O-OG1 2.72Å; Y3089-T3092 VanDerWaalsContact O-OG1 3.06Å; T3092-K3095 CarbonylContact O-C 3.5Å; T3092-K3095 WeakPolarHBondContact O-CA 3.38Å; T3092-K3095 PolarHBondContact O-N 2.95Å; T3092-R3096 WeakPolarHBondContact O-CB 3.2Å; T3092-R3096 WeakPolarHBondContact O-CG 3.15Å; T3092-R3096 PolarHBondContact O-N 3.03Å
3093I70.4Confident67.8Low26 Ų26110.6 Ų110.613%0.13353%0.529CS..Hα-helixtrans-60.1-48.3163.2-65.9-82.1000110.7Y3089 K3095 R3096 K3097Y3089-I3093 HydrophobicContact CD1-CG1 3.76Å; Y3089-I3093 HydrophobicContact CD2-CD1 4.25Å; Y3089-I3093 HydrophobicContact CD2-CG1 3.61Å; Y3089-I3093 HydrophobicContact CE1-CD1 4.08Å; Y3089-I3093 HydrophobicContact CE1-CG1 3.65Å; Y3089-I3093 HydrophobicContact CE2-CD1 3.61Å; Y3089-I3093 HydrophobicContact CE2-CG1 3.47Å; Y3089-I3093 VanDerWaalsContact CE2-CG1 3.47Å; Y3089-I3093 HydrophobicContact CG-CG1 3.75Å; Y3089-I3093 VanDerWaalsContact CZ-CG1 3.5Å; Y3089-I3093 VanDerWaalsContact O-CA 3.31Å; Y3089-I3093 WeakPolarHBondContact O-CA 3.12Å; Y3089-I3093 WeakPolarHBondContact O-CB 3.46Å; Y3089-I3093 WeakPolarHBondContact O-CG1 3.23Å; Y3089-I3093 PolarHBondContact O-N 2.95Å; I3093-K3095 VanDerWaalsContact C-N 3.3Å; I3093-K3095 PolarHBondContact O-N 2.84Å; I3093-R3096 CarbonylContact O-C 3.28Å; I3093-R3096 VanDerWaalsContact O-C 3.26Å; I3093-R3096 WeakPolarHBondContact O-CA 3.47Å; I3093-R3096 PolarHBondContact O-N 3.28Å; I3093-K3097 HydrophobicContact CG2-CB 4.39Å; I3093-K3097 HydrophobicContact CG2-CD 3.45Å; I3093-K3097 VanDerWaalsContact CG2-CD 3.45Å; I3093-K3097 HydrophobicContact CG2-CG 3.81Å; I3093-K3097 WeakPolarHBondContact O-CA 3.25Å; I3093-K3097 WeakPolarHBondContact O-CB 3.33Å; I3093-K3097 WeakPolarHBondContact O-CG 3.41Å; I3093-K3097 PolarHBondContact O-N 2.72Å
3094H62.9Low65.5Low94 Ų94107.3 Ų107.344%0.43553%0.53SS..Hα-helixtrans-70.4-22.5170.1-80-71.1000112.2Y3090 R3096 L3098Y3090-H3094 VanDerWaalsContact O-CA 3.26Å; Y3090-H3094 WeakPolarHBondContact O-CA 3.14Å; Y3090-H3094 WeakPolarHBondContact O-CB 3.35Å; Y3090-H3094 PolarHBondContact O-CD2 3.36Å; Y3090-H3094 VanDerWaalsContact O-CG 3.27Å; Y3090-H3094 PolarHBondContact O-N 2.67Å; H3094-R3096 VanDerWaalsContact C-N 3.28Å; H3094-R3096 PolarHBondContact O-N 3.31Å; H3094-L3098 HydrophobicContact CB-CD1 3.62Å; H3094-L3098 WeakPolarHBondContact O-CA 3.32Å; H3094-L3098 VanDerWaalsContact O-CB 3.24Å; H3094-L3098 WeakPolarHBondContact O-CB 3.35Å; H3094-L3098 WeakPolarHBondContact O-CD1 3.11Å; H3094-L3098 PolarHBondContact O-N 3.21Å
3095K64.6Low63Low143 Ų143108.5 Ų108.562%0.62254%0.543SS*.Hα-helixtrans-73.6-17.1163.7-81.3177.2174.5-174.10113.5R3091 T3092 I3093 K3099R3091-K3095 WeakPolarHBondContact O-CB 3.3Å; R3091-K3095 WeakPolarHBondContact O-CG 3.27Å; R3091-K3095 PolarHBondContact O-N 3.28Å; T3092-K3095 CarbonylContact O-C 3.5Å; T3092-K3095 WeakPolarHBondContact O-CA 3.38Å; T3092-K3095 PolarHBondContact O-N 2.95Å; I3093-K3095 VanDerWaalsContact C-N 3.3Å; I3093-K3095 PolarHBondContact O-N 2.84Å; K3095-K3099 WeakPolarHBondContact O-CB 3.19Å; K3095-K3099 VanDerWaalsContact O-CD 3.31Å; K3095-K3099 WeakPolarHBondContact O-CD 3.39Å; K3095-K3099 WeakPolarHBondContact O-CG 3.3Å
3096R58.5Low60.7Low189 Ų189109.9 Ų109.971%0.71357%0.565SS**Hα-helixtrans-98.7-19.8172.5-74.5176172.2-178.5-2.1113.3T3092 I3093 H3094 K3099 A3100T3092-R3096 WeakPolarHBondContact O-CB 3.2Å; T3092-R3096 WeakPolarHBondContact O-CG 3.15Å; T3092-R3096 PolarHBondContact O-N 3.03Å; I3093-R3096 CarbonylContact O-C 3.28Å; I3093-R3096 VanDerWaalsContact O-C 3.26Å; I3093-R3096 WeakPolarHBondContact O-CA 3.47Å; I3093-R3096 PolarHBondContact O-N 3.28Å; H3094-R3096 VanDerWaalsContact C-N 3.28Å; H3094-R3096 PolarHBondContact O-N 3.31Å; R3096-K3099 CarbonylContact O-C 3.53Å; R3096-K3099 VanDerWaalsContact O-C 3.31Å; R3096-A3100 WeakPolarHBondContact O-CB 3.34Å; R3096-A3100 PolarHBondContact O-N 2.85Å; R3096-A3100 VanDerWaalsContact O-N 3.17Å
3097K53.7Low58.3Low96 Ų96109 Ų10942%0.41758%0.577SS.*Hα-helixtrans-111.9-21.8-175.6-75.8-171.6176.7-1750112.4I3093 A3100 I3101I3093-K3097 HydrophobicContact CG2-CB 4.39Å; I3093-K3097 HydrophobicContact CG2-CD 3.45Å; I3093-K3097 VanDerWaalsContact CG2-CD 3.45Å; I3093-K3097 HydrophobicContact CG2-CG 3.81Å; I3093-K3097 WeakPolarHBondContact O-CA 3.25Å; I3093-K3097 WeakPolarHBondContact O-CB 3.33Å; I3093-K3097 WeakPolarHBondContact O-CG 3.41Å; I3093-K3097 PolarHBondContact O-N 2.72Å; K3097-A3100 PolarHBondContact O-N 2.99Å; K3097-I3101 HydrophobicContact CB-CD1 4.03Å; K3097-I3101 HydrophobicContact CB-CG1 4.02Å; K3097-I3101 HydrophobicContact CD-CD1 3.71Å; K3097-I3101 HydrophobicContact CD-CG1 4.44Å; K3097-I3101 HydrophobicContact CG-CD1 4.07Å; K3097-I3101 HydrophobicContact CG-CG1 4.25Å; K3097-I3101 VanDerWaalsContact O-CA 3.26Å; K3097-I3101 WeakPolarHBondContact O-CA 3.25Å; K3097-I3101 WeakPolarHBondContact O-CB 3.19Å; K3097-I3101 PolarHBondContact O-N 3.21Å
3098L53.8Low56.1Low127 Ų127112.2 Ų112.267%0.66559%0.594SS**THydrogen-bonded Turntrans-72-15.3149-82.488.7000110.6H3094H3094-L3098 HydrophobicContact CB-CD1 3.62Å; H3094-L3098 WeakPolarHBondContact O-CA 3.32Å; H3094-L3098 VanDerWaalsContact O-CB 3.24Å; H3094-L3098 WeakPolarHBondContact O-CB 3.35Å; H3094-L3098 WeakPolarHBondContact O-CD1 3.11Å; H3094-L3098 PolarHBondContact O-N 3.21Å
3099K53.2Low53.9Low184 Ų184115 Ų11580%0.861%0.605SS**THydrogen-bonded Turntrans-88.60.5164.5-74.4-171.6178-171.40114.9K3095 R3096K3095-K3099 WeakPolarHBondContact O-CB 3.19Å; K3095-K3099 VanDerWaalsContact O-CD 3.31Å; K3095-K3099 WeakPolarHBondContact O-CD 3.39Å; K3095-K3099 WeakPolarHBondContact O-CG 3.3Å; R3096-K3099 CarbonylContact O-C 3.53Å; R3096-K3099 VanDerWaalsContact O-C 3.31Å
3100A51.4Low51.8Low58 Ų58111.5 Ų111.548%0.47961%0.611SS.*THydrogen-bonded Turntrans-140-24.7-179.100000116R3096 K3097 V3102 A3103R3096-A3100 WeakPolarHBondContact O-CB 3.34Å; R3096-A3100 PolarHBondContact O-N 2.85Å; R3096-A3100 VanDerWaalsContact O-N 3.17Å; K3097-A3100 PolarHBondContact O-N 2.99Å; A3100-V3102 VanDerWaalsContact C-N 3.25Å; A3100-A3103 PolarHBondContact O-N 2.93Å; A3100-A3103 VanDerWaalsContact O-N 3.17Å
3101I51.1Low49.9Very low94 Ų94115 Ų11548%0.48263%0.629SS.*THydrogen-bonded Turntrans-94.419.7174.3-54.7-173.2000111K3097 A3103K3097-I3101 HydrophobicContact CB-CD1 4.03Å; K3097-I3101 HydrophobicContact CB-CG1 4.02Å; K3097-I3101 HydrophobicContact CD-CD1 3.71Å; K3097-I3101 HydrophobicContact CD-CG1 4.44Å; K3097-I3101 HydrophobicContact CG-CD1 4.07Å; K3097-I3101 HydrophobicContact CG-CG1 4.25Å; K3097-I3101 VanDerWaalsContact O-CA 3.26Å; K3097-I3101 WeakPolarHBondContact O-CA 3.25Å; K3097-I3101 WeakPolarHBondContact O-CB 3.19Å; K3097-I3101 PolarHBondContact O-N 3.21Å; I3101-A3103 WeakPolarHBondContact CA-O 3.29Å; I3101-A3103 PolarHBondContact O-N 2.95Å
3102V49.3Very low47.9Very low136 Ų136112.4 Ų112.482%0.82463%0.628SS**THydrogen-bonded Turntrans-58.2-12.7139.5174.80000110.6A3100A3100-V3102 VanDerWaalsContact C-N 3.25Å
3103A45.5Very low46.2Very low71 Ų71117.4 Ų117.459%0.58765%0.652SS**SBendtrans-118.711916700000113.2A3100 I3101A3100-A3103 PolarHBondContact O-N 2.93Å; A3100-A3103 VanDerWaalsContact O-N 3.17Å; I3101-A3103 WeakPolarHBondContact CA-O 3.29Å; I3101-A3103 PolarHBondContact O-N 2.95Å
3104G38.7Very low44.6Very low57 Ų57123 Ų12359%0.58868%0.681SS**  trans62.5116.4158.600000117.8
3105S32.5Very low43.2Very low122 Ų122125.3 Ų125.385%0.85369%0.694SS**  cis63.6132.821.9-1530000115.9
3106A36.3Very low42.1Very low103 Ų103124.2 Ų124.285%0.85169%0.694SS**  trans67.8140.1-169.700000116.1
3107G32.7Very low40.8Very low64 Ų64122.8 Ų122.866%0.6670%0.698SS**  cis123.9100.7-0.100000112.8
3108N36Very low40.2Very low138 Ų138123.5 Ų123.574%0.73871%0.712SS**  trans165.6156.7173.4-92-20.8000108.3
3109R34.7Very low39.2Very low227 Ų227124.3 Ų124.386%0.85772%0.717SS**  cis-175.2146.1-15.7-112.1171.7-172.3-176.8-0.7108.5
3110G36.2Very low38.3Very low67 Ų67121.2 Ų121.269%0.69171%0.714SS**  trans101.5154.7142.300000120.3
3111F35.1Very low37.5Very low190 Ų190124.6 Ų124.683%0.83372%0.724SS**  trans77.399.5177.5-67.5-96.1000115.5
3112I37.2Very low37.1Very low123 Ų123127.4 Ų127.463%0.63173%0.733SS**  79.6119.172.7-71169.7000110.1I3114I3112-I3114 HydrophobicContact CG2-CD1 4.13Å; I3112-I3114 HydrophobicContact CG2-CG1 3.82Å
3113D36.8Very low37Very low156 Ų156131.1 Ų131.183%0.83473%0.733SS**  cis82.870.313.2-140.234.5000116.7
3114I36.7Very low37.1Very low144 Ų144132.2 Ų132.274%0.73874%0.737SS**  trans-157123.5167.8-61.2-178000104.6I3112I3112-I3114 HydrophobicContact CG2-CD1 4.13Å; I3112-I3114 HydrophobicContact CG2-CG1 3.82Å
3115M33.4Very low37.3Very low143 Ų143138.5 Ų138.570%0.70475%0.748SS**  cis72.3128.1-0.9-139.7-179.399.500118.6
3116D40.8Very low37.7Very low119 Ų119140 Ų14064%0.63675%0.747SS**  trans65.8150.9170.8-61.9-19.5000116.6
3117M32.2Very low38.1Very low159 Ų159138.3 Ų138.378%0.78374%0.74SS**  cis-166178.9-8.6-115.7174.549.500108.6
3118P41Very low38.5Very low111 Ų111141.5 Ų141.572%0.72175%0.752SS**  trans-82.5178.4-174.334.9-37.7000115.5
3119N32.5Very low38.4Very low145 Ų145141.8 Ų141.878%0.77575%0.754SS**  trans82.3104.2169-101.2-2.2000119.6
3120T34.2Very low38.5Very low118 Ų118136.6 Ų136.672%0.72475%0.749SS**  trans55.6123.3140.4650000119.8
3121N35.1Very low38.6Very low130 Ų130138.9 Ų138.970%0.69575%0.75SS**  -159.3158.4125.5-124.9-37.2000115.8
3122K42.9Very low38.7Very low153 Ų153140.4 Ų140.467%0.66575%0.75SS**  trans-1.9127.2145.4-65.7157.5-172.9164.40115.5
3123Y47.3Very low38.7Very low213 Ų213141.6 Ų141.684%0.83576%0.757SS**  -161.8112.397.1-69.4-60.9000106.3
3124S46.4Very low38.6Very low95 Ų95141 Ų14166%0.66475%0.754SS**  49.7126.487.266.50000113.8
3125F44.2Very low38.8Very low188 Ų188138.3 Ų138.383%0.82575%0.745SS**  cis-166.4-177.612.1-141-106.5000110.8
3126D41.2Very low38.9Very low153 Ų153141.1 Ų141.182%0.81875%0.754SS**  trans70.8123.9166.1-67.6-39.3000120.9
3127G43.1Very low39Very low69 Ų69141.1 Ų141.171%0.71176%0.762SS**  trans177.5-20.6166.700000123.9
3128S42.4Very low39Very low130 Ų130144.6 Ų144.691%0.90977%0.767SS**  trans68.7146-176.4-360000115.1
3129N32.3Very low38.8Very low145 Ų145146.6 Ų146.678%0.77577%0.771SS**  cis-158.3125.519.3175.131000112
3130P38.2Very low39.1Very low118 Ų118145.9 Ų145.977%0.76677%0.767SS**  trans-130.1141.8170.237.7-23.9000115.9
3131V37.8Very low39.5Very low115 Ų115148.4 Ų148.470%0.69777%0.77SS**  trans-156.6137.3176.1168.90000107.3
3132W37.8Very low39.9Very low222 Ų222150.2 Ų150.284%0.84178%0.779SS**  cis-145.1147.1-16.8-94.1-8.9000105.9
3133L37.5Very low40.1Very low147 Ų147146.7 Ų146.777%0.7778%0.778SS**  55.385.175.6-76.5168.9000116.4
3134D34.8Very low40.1Very low144 Ų144141.5 Ų141.577%0.7778%0.779SS**  49.9158.6108.2-14843.5000120.1
3135P39Very low40Very low87 Ų87146.1 Ų146.157%0.56579%0.79SS**  cis-122.1175.8-3124.3-4000112.4
3136F37.2Very low40Very low202 Ų202141.3 Ų141.389%0.88679%0.785SS**  174.2123.1126.7-110.5-82.7000112
3137C41.4Very low39.8Very low119 Ų119143 Ų14380%0.80479%0.789SS**  trans-69.4163.7162.8-56.10000111.2
3138R33.8Very low39.6Very low233 Ų233148.8 Ų148.888%0.87980%0.796SS**  trans97.679.2158.4-158.3-173.5-158177.75.3117
3139N36.3Very low39.2Very low153 Ų153151.8 Ų151.882%0.81880%0.796SS**  trans-163.794.3137.1-84.1-25.1000104.6
3140L38.3Very low39.3Very low130 Ų130151.5 Ų151.568%0.68179%0.794SS**  62.4100.168.4-153.181.8000112.1L3142L3140-L3142 VanDerWaalsContact C-N 3.33Å; L3140-L3142 PolarHBondContact O-N 3.03Å
3141E42.6Very low39.4Very low171 Ų171152.5 Ų152.580%0.79979%0.793SS**SBendtrans60.96.6147.3-64.4173.4127.200120.5
3142L43.4Very low39.3Very low168 Ų168154.2 Ų154.288%0.8880%0.798SS**SBendtrans-123.85179.4-79.2166.9000116.4L3140L3140-L3142 VanDerWaalsContact C-N 3.33Å; L3140-L3142 PolarHBondContact O-N 3.03Å
3143A46.9Very low39.4Very low79 Ų79148.5 Ų148.565%0.65379%0.79SS**SBendtrans-108.3-5.7179.300000114.6Q3145A3143-Q3145 PolarHBondContact O-N 2.92Å
3144A48Very low39.8Very low103 Ų103151.3 Ų151.385%0.85180%0.799SS**THydrogen-bonded Turntrans-76.530.6-174.200000114.6
3145Q44Very low39.9Very low193 Ų193151.2 Ų151.290%0.90280%0.798SS**THydrogen-bonded Turntrans-139.213.7-176.4-70.7-172.2-42.400113.4A3143A3143-Q3145 PolarHBondContact O-N 2.92Å
3146A44.1Very low39.6Very low87 Ų87155 Ų15572%0.71981%0.813SS**SBendtrans-139.310.3-170.200000116.3
3147E36.3Very low39.7Very low189 Ų189150 Ų15088%0.88380%0.803SS**  trans-115.373.9173.9-72.5-178.1167.900110.1
3148H39.5Very low39.6Very low189 Ų189153.1 Ų153.188%0.87581%0.806SS**  trans-158.686.1167.5-108.6-65.4000107.9
3149E33.4Very low39.8Very low194 Ų194150.3 Ų150.391%0.90781%0.806SS**  trans175.2103.9157.4-106.3174.6-165.500107.3
3150D34.6Very low39.8Very low138 Ų138147.5 Ų147.574%0.73880%0.804SS**  trans-15240.8166.6-128.33.2000109.2
3151D40.2Very low39.9Very low139 Ų139149.2 Ų149.274%0.74381%0.814SS**  trans-113.5100.6167.2-84.7-43.8000107.8P3153D3151-P3153 WeakPolarHBondContact O-CD 3.42Å
3152L35.7Very low39.5Very low151 Ų151148.9 Ų148.979%0.79182%0.817SS**  trans-86.8114.9175.3-86.2153.9000109.7E3154L3152-E3154 PolarHBondContact O-N 3.35Å
3153P40.7Very low39.1Very low103 Ų103152.5 Ų152.567%0.66982%0.819SS**  trans-73.5127172-12.629.4000109.7D3151 N3155D3151-P3153 WeakPolarHBondContact O-CD 3.42Å; P3153-N3155 PolarHBondContact O-N 2.72Å
3154E46.7Very low38.7Very low205 Ų205157 Ų15796%0.95883%0.832SS**SBendtrans-74.822.9-171.4-141.2176.7-158.900114.6L3152L3152-E3154 PolarHBondContact O-N 3.35Å
3155N37.2Very low38Very low142 Ų142156.9 Ų156.976%0.75983%0.825SS**  trans-140.183.9-174.4-145.40.1000112.7P3153P3153-N3155 PolarHBondContact O-N 2.72Å
3156L32Very low37.8Very low167 Ų167152.6 Ų152.687%0.87481%0.814SS**  trans-103.690.8-180-88160.6000111.1
3157S38.2Very low37.4Very low97 Ų97154.9 Ų154.968%0.67882%0.819SS**  trans-146.30.5176.761.50000117.9
3158E40.9Very low37.4Very low184 Ų184156.4 Ų156.486%0.8682%0.817SS**SBendtrans-125.78.7-172.3-66.6-163.9155.300116.9
3159I36.6Very low37.2Very low175 Ų175153 Ų15390%0.89781%0.809SS**  trans-117.881.6177.4-52.9-179.5000110.9
3160A36.8Very low37.2Very low93 Ų93152.5 Ų152.577%0.76981%0.806SS**  trans-146.969.8173.600000111.5
3161D39.9Very low37.1Very low166 Ų166148.8 Ų148.889%0.88880%0.801SS**SBendtrans-156.74.7169-116.6-12.5000116.4
3162L35.2Very low37Very low164 Ų164148.6 Ų148.686%0.85981%0.805SS**SBendtrans-118.3148.4167.9-78.7129.5000108.9
3163W35.3Very low36.7Very low245 Ų245151.6 Ų151.693%0.92881%0.812SS**  trans92.550.4-174.8-62.564000117.6
3164N37.6Very low36.4Very low173 Ų173150.4 Ų150.493%0.92582%0.819SS**  trans-112.2100.8144.8-88.1-46.6000110.6
3165S33.4Very low35.9Very low100 Ų100152.9 Ų152.970%0.69982%0.819SS**  trans-93.1-168.4164.1670000108.5
3166P39.4Very low35.8Very low104 Ų104154.9 Ų154.968%0.67582%0.824SS**  cis-141.6-176.2237.2-15.4000116.3
3167T36.2Very low36.1Very low134 Ų134153 Ų15382%0.82282%0.822SS**  trans138.7157.713854.10000114
3168R37Very low36Very low221 Ų221152.8 Ų152.883%0.83483%0.826SS**  cis-167.1110.5-41.2-170.6-176.7-179-179.93.2110.5
3169T34.2Very low35.7Very low117 Ų117148.1 Ų148.172%0.71882%0.819SS**  trans56.4137.3152.265.70000124.3
3170H34.5Very low35.6Very low184 Ų184146.5 Ų146.585%0.85282%0.817SS**  108.890129.3-121.1-78.1000122.4
3171G31.3Very low35.7Very low61 Ų61151.2 Ų151.263%0.62982%0.82SS**  trans43.9137134.800000124.9
3172T38Very low35.6Very low134 Ų134148.4 Ų148.482%0.82281%0.811SS**  -179.4149.19931.30000113.6
3173F30.4Very low35.7Very low214 Ų214147 Ų14794%0.93981%0.805SS**  trans-12.3137.6164.5-64.8-94000121.3
3174G33.3Very low36Very low79 Ų79142.5 Ų142.581%0.81480%0.799SS**  trans-177.3128.915700000112.7
3175R36.4Very low36.1Very low256 Ų256139.6 Ų139.697%0.96678%0.783SS**  trans-81.9152.9-177.1-78.3176.4165.7176.2-7.7113.7
3176E36.2Very low36.8Very low185 Ų185143.8 Ų143.886%0.86478%0.784SS**  trans-68.8174.2162-48175.5135.300112.1
3177P37Very low37.2Very low126 Ų126147.6 Ų147.682%0.81879%0.786SS**  -146.5169.379.337.1-17.6000117.4
3178A35.7Very low37.6Very low94 Ų94146 Ų14678%0.77777%0.772SS**  trans-38.4163.6169.300000116.8
3179A34.9Very low38.2Very low86 Ų86144.9 Ų144.971%0.71177%0.768SS**  cis-179.117347.900000113.8
3180V35.5Very low39.1Very low140 Ų140141.5 Ų141.585%0.84875%0.752SS**  trans82.3114.6158.3-157.40000120
3181K37.3Very low39.7Very low192 Ų192135 Ų13584%0.83573%0.73SS**  trans-36.7177.2156.8-74.2178.6178.81770117.3
3182P39.6Very low40.5Very low108 Ų108136.6 Ų136.670%0.70172%0.723SS**  cis-135.6138.7-33.132.9-15.7000113.5
3183D36.5Very low41Very low135 Ų135136.6 Ų136.672%0.72271%0.713SS**SBendtrans-178.8172.3151.9-99.5-26.9000106.9
3184D42.4Very low41.9Very low149 Ų149132.9 Ų132.980%0.79770%0.699SS**  trans77.127.8171.5-63.6-24.7000120.3R3186D3184-R3186 PolarHBondContact O-N 2.9Å
3185D38.9Very low42.5Very low113 Ų113137.8 Ų137.860%0.60469%0.694SS**THydrogen-bonded Turntrans-84.716.4170.9-126.8-2.4000114.8Y3187 L3188 R3189D3185-Y3187 VanDerWaalsContact C-N 3.33Å; D3185-Y3187 PolarHBondContact O-N 2.9Å; D3185-L3188 VanDerWaalsContact OD1-CB 3.28Å; D3185-L3188 WeakPolarHBondContact OD1-CB 3.48Å; D3185-R3189 PolarHBondContact O-N 2.77Å
3186R47.1Very low43Very low188 Ų188130.2 Ų130.271%0.70967%0.673SS**Hα-helixtrans-73-24.2-179.4-160.4177-169.9-164.93.2113D3184 A3190D3184-R3186 PolarHBondContact O-N 2.9Å; R3186-A3190 WeakPolarHBondContact O-CB 3.25Å; R3186-A3190 PolarHBondContact O-N 3.32Å
3187Y48Very low43.6Very low183 Ų183126.5 Ų126.572%0.71866%0.659SS**Hα-helixtrans-86.6-33177.2-81.9-84.5000112.9D3185 A3190 A3191D3185-Y3187 VanDerWaalsContact C-N 3.33Å; D3185-Y3187 PolarHBondContact O-N 2.9Å; Y3187-A3190 PolarHBondContact O-N 2.85Å; Y3187-A3191 WeakPolarHBondContact O-CB 3.39Å; Y3187-A3191 PolarHBondContact O-N 2.84Å
3188L46Very low44.1Very low102 Ų102125.6 Ų125.653%0.53465%0.646SS.*Hα-helixtrans-72.9-39.2176.6-155.469.2000111.3D3185 A3190 A3191 I3192D3185-L3188 VanDerWaalsContact OD1-CB 3.28Å; D3185-L3188 WeakPolarHBondContact OD1-CB 3.48Å; L3188-A3190 VanDerWaalsContact C-N 3.35Å; L3188-A3190 PolarHBondContact O-N 2.8Å; L3188-A3191 PolarHBondContact O-N 2.77Å; L3188-I3192 HydrophobicContact CG-CD1 4.19Å; L3188-I3192 WeakPolarHBondContact O-CB 3.42Å; L3188-I3192 WeakPolarHBondContact O-CD1 3.35Å; L3188-I3192 VanDerWaalsContact O-CG1 3.22Å; L3188-I3192 WeakPolarHBondContact O-CG1 3.37Å; L3188-I3192 PolarHBondContact O-N 2.87Å
3189R47.9Very low44.5Very low197 Ų197124 Ų12474%0.74363%0.633SS**Hα-helixtrans-65.8-32.6170.2-102.3178.9-179.2162.92.8113.9D3185 Q3193D3185-R3189 PolarHBondContact O-N 2.77Å; R3189-Q3193 WeakPolarHBondContact O-CB 3.42Å; R3189-Q3193 WeakPolarHBondContact O-CG 3.31Å; R3189-Q3193 PolarHBondContact O-N 2.92Å
3190A53.6Low45Very low46 Ų46126.4 Ų126.438%0.3863%0.627SS.*Hα-helixtrans-71.3-41.4173.800000111.9R3186 Y3187 L3188 I3192 Q3193 E3194R3186-A3190 WeakPolarHBondContact O-CB 3.25Å; R3186-A3190 PolarHBondContact O-N 3.32Å; Y3187-A3190 PolarHBondContact O-N 2.85Å; L3188-A3190 VanDerWaalsContact C-N 3.35Å; L3188-A3190 PolarHBondContact O-N 2.8Å; A3190-I3192 VanDerWaalsContact C-N 3.34Å; A3190-I3192 PolarHBondContact O-N 2.89Å; A3190-Q3193 PolarHBondContact O-N 2.96Å; A3190-E3194 PolarHBondContact O-N 3.39Å
3191A47.7Very low45.3Very low47 Ų47125.2 Ų125.239%0.38862%0.615SS.*Hα-helixtrans-65.5-35.2174.600000112.5Y3187 L3188 E3194 Y3195Y3187-A3191 WeakPolarHBondContact O-CB 3.39Å; Y3187-A3191 PolarHBondContact O-N 2.84Å; L3188-A3191 PolarHBondContact O-N 2.77Å; A3191-E3194 PolarHBondContact O-N 3.5Å; A3191-Y3195 WeakPolarHBondContact O-CB 3.44Å; A3191-Y3195 PolarHBondContact O-N 2.99Å
3192I48.3Very low45.5Very low94 Ų94117.9 Ų117.948%0.48259%0.594SS.*Hα-helixtrans-73.1-35.7174.2-68.3165.8000111.2L3188 A3190 Y3195 D3196L3188-I3192 HydrophobicContact CG-CD1 4.19Å; L3188-I3192 WeakPolarHBondContact O-CB 3.42Å; L3188-I3192 WeakPolarHBondContact O-CD1 3.35Å; L3188-I3192 VanDerWaalsContact O-CG1 3.22Å; L3188-I3192 WeakPolarHBondContact O-CG1 3.37Å; L3188-I3192 PolarHBondContact O-N 2.87Å; A3190-I3192 VanDerWaalsContact C-N 3.34Å; A3190-I3192 PolarHBondContact O-N 2.89Å; I3192-Y3195 PolarHBondContact O-N 3.35Å; I3192-D3196 PolarHBondContact O-N 3.36Å
3193Q49.1Very low45.7Very low135 Ų135120.1 Ų120.163%0.63160%0.596SS**Hα-helixtrans-69.6-30.2170.9-80.5-172.2-70.400113.6R3189 A3190 N3197R3189-Q3193 WeakPolarHBondContact O-CB 3.42Å; R3189-Q3193 WeakPolarHBondContact O-CG 3.31Å; R3189-Q3193 PolarHBondContact O-N 2.92Å; A3190-Q3193 PolarHBondContact O-N 2.96Å; Q3193-N3197 WeakPolarHBondContact O-CB 3.19Å; Q3193-N3197 PolarHBondContact O-N 2.77Å; Q3193-N3197 PolarHBondContact O-ND2 2.73Å; Q3193-N3197 VanDerWaalsContact O-ND2 3.11Å
3194E48.8Very low46.1Very low135 Ų135120.1 Ų120.163%0.63159%0.594SS**Hα-helixtrans-72.6-38.7169-76.3-159.5156.800112.1A3190 A3191 D3196 N3197 I3198A3190-E3194 PolarHBondContact O-N 3.39Å; A3191-E3194 PolarHBondContact O-N 3.5Å; E3194-D3196 PolarHBondContact O-N 2.99Å; E3194-N3197 PolarHBondContact O-N 2.91Å; E3194-I3198 WeakPolarHBondContact O-CB 3.45Å; E3194-I3198 VanDerWaalsContact O-CG1 3.28Å; E3194-I3198 WeakPolarHBondContact O-CG1 3.18Å; E3194-I3198 PolarHBondContact O-N 2.84Å
3195Y44.5Very low46.1Very low182 Ų182119.5 Ų119.571%0.71459%0.589SS**Hα-helixtrans-62.9-39.7173.4-108.1-98.3000112.7A3191 I3192 N3197 I3198 A3199A3191-Y3195 WeakPolarHBondContact O-CB 3.44Å; A3191-Y3195 PolarHBondContact O-N 2.99Å; I3192-Y3195 PolarHBondContact O-N 3.35Å; Y3195-N3197 VanDerWaalsContact C-N 3.35Å; Y3195-I3198 PolarHBondContact O-N 3.32Å; Y3195-A3199 VanDerWaalsContact O-CB 3.29Å; Y3195-A3199 WeakPolarHBondContact O-CB 3.23Å; Y3195-A3199 PolarHBondContact O-N 3.15Å
3196D48.7Very low46.3Very low98 Ų98125 Ų12552%0.52460%0.601SS.*Hα-helixtrans-67.3-32.4174.2-98.5-7.4000112.9I3192 E3194 K3200I3192-D3196 PolarHBondContact O-N 3.36Å; E3194-D3196 PolarHBondContact O-N 2.99Å; D3196-K3200 WeakPolarHBondContact O-CB 3.29Å; D3196-K3200 WeakPolarHBondContact O-CG 3.49Å; D3196-K3200 PolarHBondContact O-N 3.28Å
3197N47.9Very low46Very low106 Ų106125 Ų12557%0.56761%0.61SS**Hα-helixtrans-74.9-33.3175.1-74-26.2000112.1Q3193 E3194 Y3195 L3201Q3193-N3197 WeakPolarHBondContact O-CB 3.19Å; Q3193-N3197 PolarHBondContact O-N 2.77Å; Q3193-N3197 PolarHBondContact O-ND2 2.73Å; Q3193-N3197 VanDerWaalsContact O-ND2 3.11Å; E3194-N3197 PolarHBondContact O-N 2.91Å; Y3195-N3197 VanDerWaalsContact C-N 3.35Å; N3197-L3201 PolarHBondContact O-N 3.4Å; N3197-L3201 VanDerWaalsContact O-N 3.15Å
3198I48.3Very low45.3Very low108 Ų108119.9 Ų119.955%0.55461%0.612SS**Hα-helixtrans-73.3-36.6173-67.8165000110.8E3194 Y3195 L3201 G3202E3194-I3198 WeakPolarHBondContact O-CB 3.45Å; E3194-I3198 VanDerWaalsContact O-CG1 3.28Å; E3194-I3198 WeakPolarHBondContact O-CG1 3.18Å; E3194-I3198 PolarHBondContact O-N 2.84Å; Y3195-I3198 PolarHBondContact O-N 3.32Å; I3198-L3201 WeakPolarHBondContact O-CB 3.45Å; I3198-L3201 PolarHBondContact O-N 2.66Å; I3198-G3202 PolarHBondContact O-N 2.68Å; I3198-G3202 VanDerWaalsContact O-N 3.09Å
3199A43Very low44.9Very low60 Ų60120.7 Ų120.750%0.49662%0.624SS.*Hα-helixtrans-64.5-39.217300000112.3Y3195 L3201 G3202 Q3203Y3195-A3199 VanDerWaalsContact O-CB 3.29Å; Y3195-A3199 WeakPolarHBondContact O-CB 3.23Å; Y3195-A3199 PolarHBondContact O-N 3.15Å; A3199-L3201 VanDerWaalsContact C-N 3.32Å; A3199-L3201 PolarHBondContact O-N 2.87Å; A3199-G3202 PolarHBondContact O-N 2.95Å; A3199-Q3203 PolarHBondContact O-N 3.1Å
3200K46.3Very low44.1Very low137 Ų137118.7 Ų118.760%0.59663%0.626SS**Hα-helixtrans-67.4-28.2171.8-81.1177.3177171.60113.8D3196 Q3203D3196-K3200 WeakPolarHBondContact O-CB 3.29Å; D3196-K3200 WeakPolarHBondContact O-CG 3.49Å; D3196-K3200 PolarHBondContact O-N 3.28Å; K3200-Q3203 PolarHBondContact O-N 2.82Å
3201L41.4Very low43Very low114 Ų114126 Ų12660%0.59765%0.65SS**Hα-helixtrans-69.9-37.6172.6-153.973.3000111.5N3197 I3198 A3199 Q3203 I3204N3197-L3201 PolarHBondContact O-N 3.4Å; N3197-L3201 VanDerWaalsContact O-N 3.15Å; I3198-L3201 WeakPolarHBondContact O-CB 3.45Å; I3198-L3201 PolarHBondContact O-N 2.66Å; A3199-L3201 VanDerWaalsContact C-N 3.32Å; A3199-L3201 PolarHBondContact O-N 2.87Å; L3201-Q3203 PolarHBondContact O-N 3.13Å; L3201-I3204 PolarHBondContact O-N 3.06Å
3202G41.8Very low42.1Very low38 Ų38132 Ų13239%0.39267%0.674SS.*Hα-helixtrans-66.9-20.1174.600000114.9I3198 A3199I3198-G3202 PolarHBondContact O-N 2.68Å; I3198-G3202 VanDerWaalsContact O-N 3.09Å; A3199-G3202 PolarHBondContact O-N 2.95Å
3203Q43Very low41.5Very low156 Ų156134.8 Ų134.873%0.72969%0.689SS**THydrogen-bonded Turntrans-86.4-13180-154.8163.812.400113.4A3199 K3200 L3201A3199-Q3203 PolarHBondContact O-N 3.1Å; K3200-Q3203 PolarHBondContact O-N 2.82Å; L3201-Q3203 PolarHBondContact O-N 3.13Å
3204I44.7Very low40.6Very low135 Ų135136.5 Ų136.569%0.69270%0.696SS**SBendtrans-87.1-14.3174.2-64.9169.9000111.5L3201L3201-I3204 PolarHBondContact O-N 3.06Å
3205I42.8Very low39.8Very low136 Ų136135.3 Ų135.370%0.69770%0.698SS**SBendtrans-92.7-3.4-173.2-65169.6000112.7
3206R43.5Very low39.3Very low227 Ų227133.3 Ų133.386%0.85770%0.7SS**SBendtrans-106.17.2-170.4-83.8-174.3170.9-172.5-2.7117.1
3207E39.8Very low38.5Very low189 Ų189137.2 Ų137.288%0.88372%0.72SS**SBendtrans-122.5100.4170.6-65.6-174.1178.800109.5
3208G34.9Very low38Very low75 Ų75141.4 Ų141.477%0.77374%0.736SS**  trans-96.8-151.7-179.400000113.2
3209P36.9Very low37.4Very low120 Ų120145.3 Ų145.378%0.77975%0.752SS**  cis-124.2-179.9-21.238.6-24000112
3210I31.2Very low37.1Very low154 Ų154151 Ų15179%0.7977%0.768SS**  trans165.2123.5135.1-84.6154.9000112
3211K31.5Very low36.9Very low200 Ų200149.6 Ų149.687%0.8777%0.773SS**  trans31119.6153.7-60.1-179.4177.9-178.80120.7
3212L28.3Very low36.6Very low174 Ų174147.7 Ų147.791%0.91178%0.781SS**  trans-130.5139.1160.8-93.8161.5000109.8
3213I34.4Very low36.1Very low152 Ų152152.2 Ų152.278%0.77980%0.796SS**  trans-139.7124.5166.5-72.4-178.8000107.7
3214H31.3Very low35.7Very low171 Ų171152.3 Ų152.379%0.79280%0.796SS**  trans35.5153151.6-72.6-25.1000121.7
3215T31.9Very low35.1Very low109 Ų109151 Ų15167%0.66980%0.799SS**  cis-164.8154.13.231.30000105.5
3216D33Very low35.1Very low140 Ų140150.9 Ų150.975%0.74981%0.807SS**  cis-164.4174.5-7.2-98.5-2.9000107.5
3217L33.2Very low34.6Very low180 Ų180143.4 Ų143.494%0.94280%0.801SS**  trans-139138169.2-97.5173000112.7
3218E37Very low34.4Very low195 Ų195144.2 Ų144.291%0.91180%0.804SS**  trans-81.2168-170.3-64.8-179.6132.600115
3219E35.2Very low34.2Very low190 Ų190144.4 Ų144.489%0.88881%0.807SS**  trans-71.6138.6-171.5-60.617413000115.3
3220E36.5Very low34.1Very low179 Ų179143.7 Ų143.784%0.83680%0.804SS**  24.3167.5120.3-80.2-132.1139.600122.5
3221P42.9Very low34Very low108 Ų108143.6 Ų143.670%0.70181%0.805SS**  cis-144.8-163.6-45.143-24.8000112.5
3222G34.3Very low34.1Very low74 Ų74145.8 Ų145.876%0.76381%0.808SS**  trans123.3137.9143.700000117
3223D31.5Very low34.1Very low132 Ų132146.1 Ų146.171%0.70680%0.802SS**  cis177.1174.8-20.4177.527.6000105
3224H35.5Very low34.2Very low159 Ų159150.6 Ų150.674%0.73681%0.809SS**  trans105.767.1165.1-53.1-17.5000118.6
3225S31.7Very low34.2Very low107 Ų107149.7 Ų149.775%0.74881%0.805SS**  24.5158.1122.6520000124.6
3226P41.9Very low34.3Very low134 Ų134154.1 Ų154.187%0.8782%0.815SS**  trans-126.7-165.2-147.844.8-29.8000116.7
3227G34.1Very low34.4Very low70 Ų70151.6 Ų151.672%0.72281%0.806SS**  trans-157.5107.617500000119.5
3228Q34.5Very low34.5Very low205 Ų205148.9 Ų148.996%0.95880%0.799SS**  trans63.6116.8139.6-62.1-173.3-17.100125.7
3229G31.9Very low34.2Very low80 Ų80147.7 Ų147.783%0.82580%0.796SS**  trans86.6149.9132.700000119.9
3230S33.7Very low34Very low104 Ų104145.9 Ų145.973%0.72779%0.787SS**  cis-171.5133.9-3.6162.40000113.3
3231L30.1Very low34Very low152 Ų152145 Ų14580%0.79679%0.788SS**  trans49.8122.9149.3-63.8169.3000123.3
3232R33.7Very low33.3Very low246 Ų246150.1 Ų150.193%0.92880%0.799SS**  -179.5143.5100.5-105.6-176.5171.5175.6-1.5115.4
3233F28.3Very low33.6Very low181 Ų181150 Ų15079%0.79480%0.797SS**  trans-99.9162.4174.7-83.8-98.7000113.5
3234R36.5Very low33.7Very low247 Ų247152.7 Ų152.793%0.93281%0.805SS**  trans-162.4137.3140.9-115.2179.9-175.6-169.30.6113.4
3235H31.3Very low33.9Very low152 Ų152152.7 Ų152.770%0.70481%0.811SS**  trans-123.5157.3169.8-116-89.2000108.8
3236K33.5Very low33.9Very low202 Ų202150.7 Ų150.788%0.87881%0.807SS**  trans-164163.9157.9-103.7-143.7166.7-167.10111.2
3237P34.8Very low33.6Very low86 Ų86152.2 Ų152.256%0.55881%0.806SS**  trans-122.8-178.4-136.331.5-10.9000116
3238P36.4Very low33.3Very low124 Ų124157.6 Ų157.681%0.80581%0.812SS**  trans-108.6158.6-175.439.4-31.8000115.8
3239M30.4Very low33.1Very low170 Ų170156.6 Ų156.684%0.83781%0.81SS**  trans-162.5130.2157.2-134.6-177.987.300116.1
3240E30.4Very low33.1Very low151 Ų151158.6 Ų158.671%0.70681%0.806SS**  trans38.1119.4144.6-66.2-174.7166.900127.8
3241L35.9Very low32.9Very low162 Ų162162.9 Ų162.985%0.84881%0.814SS**  46.8125.8121-78.5161.1000124.7
3242K30Very low32.7Very low215 Ų215158.7 Ų158.794%0.93581%0.808SS**  -166.7161129.3-117.1173.4-176.9173.90112
3243G39Very low32.4Very low70 Ų70151.9 Ų151.972%0.72280%0.798SS**  trans-156.9168.6175.300000114.1
3244Q33.9Very low32.3Very low189 Ų189150 Ų15088%0.88380%0.801SS**  trans-176.3141.3172.2-102.1163-1.800104.7
3245D40.4Very low31.7Very low159 Ų159141.4 Ų141.485%0.8579%0.79SS**  cis-129.7173.220.3-58.7-55.2000110.3
3246G32.1Very low31.9Very low65 Ų65140.5 Ų140.567%0.6780%0.795SS**  cis150.8148.43.200000110.3
3247I34.3Very low31.5Very low166 Ų166138 Ų13885%0.85179%0.791SS**  trans98.5102.2171.3-51.6165.7000118.7
3248H27.8Very low31.2Very low183 Ų183141 Ų14185%0.84780%0.801SS**  trans2.8140.5142.8-60.6-88.4000122.6
3249M31.7Very low30.9Very low184 Ų184138.7 Ų138.791%0.90679%0.792SS**  -166157.599.4-160158.756.400112.9
3250V31.4Very low30.8Very low123 Ų123137 Ų13775%0.74579%0.792SS**  trans-126.6136.8-177173.50000110.5
3251H28.2Very low30.7Very low194 Ų194136.3 Ų136.390%0.89879%0.793SS**  trans158.6155.4158.5-96-77.8000108.1
3252G26.3Very low30.2Very low64 Ų64135.1 Ų135.166%0.6679%0.787SS**  cis12662.4-1.300000115.3
3253S27.4Very low30.3Very low103 Ų103132 Ų13272%0.7278%0.78SS**  trans-178.1123.6173.350.10000110.6
3254T26.1Very low29.9Very low140 Ų140133.8 Ų133.886%0.85978%0.781SS**  62.3128.372.6650000117.7
3255G24.9Very low30Very low68 Ų68131.2 Ų131.270%0.70177%0.773SS**  trans85.9118.2162.400000114.4
3256T34.4Very low30.1Very low133 Ų133129.1 Ų129.182%0.81677%0.768SS**  65145.159.2-35.50000113.8
3257L26.8Very low30.1Very low150 Ų150133.6 Ų133.679%0.78577%0.772SS**  trans85.7139.9172.1-58.9171.8000115
3258L27.7Very low29.9Very low149 Ų149133.3 Ų133.378%0.7877%0.772SS**  cis-154.2139.31.5-89.8140000107.2
3259A28.9Very low30.3Very low75 Ų75132.3 Ų132.362%0.6277%0.773SS**  87.7150.868.300000116.3
3260T28.2Very low30.1Very low134 Ų134132.8 Ų132.882%0.82277%0.773SS**  trans70.1141.9177.164.10000116.5
3261D29Very low30.1Very low136 Ų136137.3 Ų137.373%0.72778%0.782SS**  cis-127.4145.35.3-92.3-34.7000110.2
3262L25.1Very low30.4Very low138 Ų138132 Ų13272%0.72378%0.78SS**  65101.269.4-82.5163.8000116.4
3263N31.7Very low30.6Very low150 Ų150136.8 Ų136.880%0.80279%0.789SS**  trans48.793.9147.1-60-12.9000121.1
3264S31.8Very low30.6Very low106 Ų106139.2 Ų139.274%0.74179%0.794SS**  trans-172.599.5144.653.50000110.7
3265L35.6Very low30.8Very low135 Ų135143.4 Ų143.471%0.70780%0.795SS**  77.3149.884.7-76.6167.6000114.3E3267L3265-E3267 HydrophobicContact CD2-CB 4.24Å; L3265-E3267 HydrophobicContact CD2-CG 3.75Å
3266P42.5Very low31.1Very low115 Ų115146.6 Ų146.675%0.74781%0.806SS**  cis-109.3148.9-023.7-3.1000113.1
3267E31.6Very low30.9Very low159 Ų159148 Ų14874%0.74381%0.808SS**  59.689.370.3-82.7-174.5161.700114.3L3265L3265-E3267 HydrophobicContact CD2-CB 4.24Å; L3265-E3267 HydrophobicContact CD2-CG 3.75Å
3268D31.5Very low31.1Very low161 Ų161149.1 Ų149.186%0.86181%0.809SS**  -157.1145.1120.4-95.9-30000110.7
3269D35.9Very low31.4Very low162 Ų162148 Ų14887%0.86681%0.809SS**  trans61.164170.8-65.4-19.7000121.4
3270Q27.8Very low31.6Very low193 Ų193151.8 Ų151.890%0.90282%0.817SS**  trans-92.9116.8145.9-81.2-174.3-21.100111.7
3271K31.8Very low31.9Very low218 Ų218151.2 Ų151.295%0.94881%0.814SS**  trans-178.2129.7154.7-106.5159.6-170.3169.30111
3272G34Very low32Very low82 Ų82148.8 Ų148.885%0.84581%0.813SS**  trans159.521.3169.200000119.7
3273L29.6Very low32.3Very low165 Ų165146.9 Ų146.986%0.86481%0.811SS**  trans-141.385.8177.7-132.8167000111.1
3274D27.4Very low32.1Very low154 Ų154148.8 Ų148.882%0.82482%0.815SS**  trans176.9153.4146.1-111.1-21.4000112.9
3275R31.4Very low32Very low229 Ų229147.5 Ų147.586%0.86481%0.811SS**  trans79115.6170.2-60.8178.4173.2-171.1-6120.2
3276S31.2Very low31.6Very low134 Ų134147.5 Ų147.594%0.93782%0.817SS**  trans-156.381.7134.7-80.80000110.4
3277L29Very low31.1Very low163 Ų163146 Ų14685%0.85381%0.814SS**  trans-145.3147.4168.4-142.9156.7000107.4
3278E32.1Very low31.2Very low173 Ų173146.8 Ų146.881%0.80882%0.816SS**  trans76.4109.8-173.5-51.3-172.1153.900115.4
3279T33.1Very low31.1Very low127 Ų127144.8 Ų144.878%0.77980%0.801SS**  -167.1138.776.927.70000108.5
3280L33.9Very low31Very low153 Ų153145.5 Ų145.580%0.80179%0.791SS**  -161.8122.579.9-86.1157.6000111.8
3281T33.1Very low31.3Very low122 Ų122143.3 Ų143.375%0.74879%0.786SS**  trans26.8138.8131.6580000120.9
3282A31.9Very low31.5Very low86 Ų86137.1 Ų137.171%0.71178%0.775SS**  cis-170.5166.60.900000112.6
3283S31.1Very low31.4Very low98 Ų98143.5 Ų143.569%0.68577%0.774SS**  trans59119.1153.565.30000121.2
3284E29Very low31.5Very low190 Ų190140.4 Ų140.489%0.88876%0.762SS**  46147.5116.9-57.5175.3167.300119.8
3285A28.1Very low31.8Very low78 Ų78140.4 Ų140.465%0.64576%0.757SS**  cis173.1161.1-1400000105
3286T28.4Very low31.8Very low136 Ų136134.8 Ų134.883%0.83475%0.753SS**  trans65.4110.1163.959.80000120.8
3287A31.2Very low31.8Very low84 Ų84132.5 Ų132.569%0.69474%0.742SS**  60129.612400000121.5
3288F33.8Very low31.8Very low175 Ų175133.8 Ų133.877%0.76874%0.741SS**  170.6122.8110.9-107.6-106.2000110.8
3289E30.3Very low31.7Very low118 Ų118129.5 Ų129.555%0.55173%0.73SS**  trans61.5148.8132.9-66.6-164.8150.800121.4
3290R32.8Very low31.6Very low177 Ų177130 Ų13067%0.66873%0.733SS**  cis-169.1150.86.5-121.3169.2-166.9161.516.3110.8
3291N34.9Very low31.7Very low147 Ų147127.7 Ų127.779%0.78673%0.727SS**  trans63.9146.7147.5-55.7-18.8000118.8
3292A36Very low31.4Very low88 Ų88128.5 Ų128.573%0.72773%0.726SS**  cis-148.3143.2-1.700000108.1
3293R31.5Very low31.4Very low216 Ų216133.2 Ų133.282%0.81573%0.733SS**  59.6126.285.7-132.6-157.6173.4132.2-0.1111.9E3295R3293-E3295 IonicContact NE-OE1 3.15Å; R3293-E3295 IonicContact NH2-OE1 2.78Å
3294T32.5Very low31.4Very low100 Ų100137 Ų13761%0.61374%0.737SS**  cis-155.2138.93937.80000110.8
3295E31.9Very low31.7Very low155 Ų155136 Ų13672%0.72474%0.737SS**  67135.8106.2-53.6169.3-153.700114.5R3293R3293-E3295 IonicContact NE-OE1 3.15Å; R3293-E3295 IonicContact NH2-OE1 2.78Å
3296S31.2Very low32Very low110 Ų110142.3 Ų142.377%0.76974%0.744SS**  cis-166.6152.73.7-161.50000111.1
3297A31.3Very low32.1Very low86 Ų86141.2 Ų141.271%0.71173%0.733SS**  trans56.3146.6148.300000120.1
3298K29Very low32.3Very low190 Ų190144.3 Ų144.383%0.82674%0.743SS**  cis-166.6145.317.7-140.2174-175.8-177.10111.8
3299S30.3Very low32.2Very low84 Ų84142.8 Ų142.859%0.58774%0.742SS**  trans50.2105.4141.755.10000120.7
3300T32Very low32.3Very low136 Ų136145.9 Ų145.983%0.83476%0.758SS**  97.6161.570.259.20000113.3
3301P35.5Very low32.3Very low106 Ų106146.3 Ų146.369%0.68877%0.768SS**  -138.2-156.2-106.532.3-4000113.7
3302L26.7Very low32.5Very low139 Ų139144.9 Ų144.973%0.72877%0.769SS**  trans68.3119.9168.3-8883.9000118
3303H32.5Very low32.3Very low184 Ų184146 Ų14685%0.85277%0.77SS**  -136.9128.9109.2-134.4-86000110.9
3304K30.2Very low32.3Very low178 Ų178142.9 Ų142.977%0.77477%0.768SS**  trans-84.6140.7164.4-78.1177.9173.3177.60107.9
3305L35.5Very low32.4Very low169 Ų169147 Ų14789%0.88578%0.781SS**  trans-140.4134.2155.7-110.8153.7000107.4
3306R34.6Very low32.3Very low211 Ų211146.1 Ų146.180%0.79678%0.779SS**  trans-108.2138.6-173-113.8-170.5149.8154.5-0.8109.7
3307D31.2Very low32.4Very low112 Ų112145.6 Ų145.660%0.59977%0.772SS**  trans53.695.2137.7-47.1-19.2000118.4
3308V34.6Very low32.2Very low149 Ų149150.3 Ų150.390%0.90378%0.779SS**  trans-127.5122135.4178.80000107.3
3309I30.8Very low32.4Very low143 Ų143152.8 Ų152.873%0.73380%0.8SS**  trans-100.1130.1-177.5-64.4168.7000109.3
3310M34.2Very low32.5Very low183 Ų183156.3 Ų156.390%0.90181%0.811SS**  trans-136.2147.7150.9-83.7-165.369.300109.8
3311E32.4Very low32.5Very low186 Ų186157.3 Ų157.387%0.86981%0.809SS**  trans-85.7133.1-158.7-55.3168.2128.500113.8
3312S37.4Very low32.3Very low117 Ų117160.2 Ų160.282%0.81882%0.816SS**  trans-170.7154.9134.950.30000110.2
3313P33.4Very low32.7Very low113 Ų113161.4 Ų161.473%0.73482%0.821SS**  trans-115.7158.4-146.340.1-32.2000117.3
3314L30Very low32.7Very low149 Ų149160 Ų16078%0.7882%0.819SS**  trans68.9108150.1-73.7159.3000121
3315E35.4Very low32.8Very low188 Ų188158.8 Ų158.888%0.87982%0.822SS**  trans175.9102.9132.4-98168.6-171.400106.1
3316I30.7Very low32.6Very low135 Ų135158.1 Ų158.169%0.69282%0.818SS**  67.813277.9-58.8-179.3000114.2
3317T31.7Very low32.5Very low100 Ų100154 Ų15461%0.61382%0.82SS**  trans79.2109.2-169.367.20000113.5
3318E27.2Very low32.6Very low184 Ų184157.5 Ų157.586%0.8684%0.838SS**  cis67.6114.939.8-69.5-153.6165.300116.7
3319L33.3Very low32.4Very low243 Ų243158.3 Ų158.3100%1.27283%0.832SS**  trans75.10163.5-79.2160.5000120

Retrieved 3,319 of 3,319 residues in 1835.2 ms (Link to these results)

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