A0A5K4FG12_SCHMA Loading...

ASH domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FG12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,864 aa.

>A0A5K4FG12_SCHMA|A0A5K4FG12
MLDDKSIHRINGIELTNEIVWEEWVPGEKYTKILRLHNVDRISHNFTFLMPRSGVFSSVHKNKFRMSPGTTIELPITFRPTKLMELCEEMTFDLSGKTTNVTLKAILHTYLVKLPENINFGPVAVNTIKTHIFTLKNMTKLKTDFKLKVTSPLQISLDEGTLNSFEKKAIEIIFAPTTPGYIKTNVICIFGDKKTRKMKRMDVTGTAENDRLHIFPVNVTTSESANSGSVVFLSFDNVSTGRSSQETIVVENYSNVDSSIKIKPVSRNAGFDESTVFRSLVSVATIPGQSRSQISFTYTPRMPKSYDIGYYKICSLNSYGETMIKCIGKSKDVNIQLSTNYCTFPITHIGELHHQVVNIINHSDYSTVYELVAGQSQMYTDENNQSFTIVSTVFPIIKGISNGIIKSKETLQLIIGFYPQVPGHFYRRFTLLVCNQEPQFLNLFGTCHNLIERPHHLKPKHLMNIELYNQKLGNEINTFQQYDNDNHQNGYEIYSEMMQSSEIMMNPPLLSLNHTIWDFTSNFDLLSKALLCVEQFNKTINQGLPLNLDDLAICNTLIIQNCTNHVLIIHWTSNKHLDVNHQSINNDNQYEVKINSFRIEPQSKELAPNSSTEFTILFTPANMCQYYHQEFEGFAMYKNQRDDSLISSEKIKPPYCLLVNCYGHTFPSNKQPFTPCCEMSKSKIIFDPIEYCENKYDSISFYNKSEYPLLIQHKNLMKCLNYENFDENSFNIQLIPSITLIPANSYKVIVFRCETNQSYADIKKKMAIKEDEIILKGLEIVSMNKQPEYEWRIPIEIDFTIANITLENNGELYFIPTHIGSYTQKEFNITNISPYKIEFCWEIISDDKNELEVYPTKGVLLPNEIQSQIWTFHPTQVANCIYKPRLIYWRLNQSNQYSHEIKQKELRVITMSGNVQLSINPETIHCHPLLVNTSASYKINFHNPSIISTHFCTIIKPIYNESNQDLKLNEFITINPNENLISGHSTKSITIDICPKSKGSFCFHLFYRLYTTNEFISNQKNNNKMFDGKNSKSEITRKYLTEEILAATIFVEAVYPTLRITDIHGSGSLNNTSPVELWRSLDIDSLNISLEADPTEYELKDTINSRPLYRDHPKSLDCRGPEFDLFIGTSVIAKNDEINNSKALLCFLVENSSLIEVDFAFMFPEDLRLELPNWAESGHYEEAELQQLHIENHSLIDIQPRRCLLKPGEYSEIMITYNHNLSGCHQLPVLWKINDGREIKLNMIGITLPLNQPYLQLPYRKYILNPTPIGLGDYRLGYLFQMKLKNPSLKTIHFHISPLLKWLPREQMDKESKKSEPNEKFLGYNLPILYCVQNQGLIKPNEVYALEWRFRPIEAKTYTAYCYIHIMDAEASPVTGQSVYSDTILLELIAIGYDPKQLGPKEIIANPQRVRIPTAIENHIISLDRNPQSIIRHNDDDIDEGELTFRNFPPLARRIKIPIDSWISLSHHLIELNRIIIGTCCRRIIHMTNRFSSDINRLPVNNRSIYRFRWFTEFPNDTENVTISPRIGRIKPGQTIQELVTFTANGLPRFTEIKLICELIDEHEENKYCEELKAWQSEIDRLKVEFTITDNDLTKKKTKSEAISSESDEIDMDEFCQKWPKPIHTKPVYVYLTINAEIINDEAAKIYGVNNEGKTSFIDYAQFFNSNHSAAKALSSTKVQDSIWSLHQHLFTDLLTSLIESLIFNNEFVQMIQKIVIPPENRIDTSPLLVTPLNNNEIMMDDNDDDDPVPLWIQIKSDHCYKSNELSTNYNMNDINKATDQLNHWIPEIVKEKINKQDMKSIHEETADSMCIQNPAIQWLIEDALAGILSNILDEVNEKEFEITTRPRIIALPPTTLQNKLEDK
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27Very low53.1Low232 Ų232117.7 Ų117.7100%1.14358%0.58SS**  059.10-62.4-63.7-159.300108.2D3M1-D3 PolarHBondContact O-N 3.43Å; M1-D3 VanDerWaalsContact O-N 3.16Å
2L33.7Very low54.5Low175 Ų175109.5 Ų109.592%0.91655%0.548SS*.  trans-78.3103.2175-84.7147.2000105.3D4L2-D4 PolarHBondContact O-N 2.76Å
3D37.6Very low56.1Low108 Ų108101.2 Ų101.258%0.57851%0.507SS*.  trans-46.8126.4173.6-67.8-31.3000108.9M1 K5M1-D3 PolarHBondContact O-N 3.43Å; M1-D3 VanDerWaalsContact O-N 3.16Å; D3-K5 HydrophobicContact CB-CB 4.37Å; D3-K5 HydrophobicContact CB-CD 3.85Å; D3-K5 HydrophobicContact CB-CG 3.83Å; D3-K5 PolarHBondContact O-N 3.31Å; D3-K5 WeakPolarHBondContact OD2-CE 3.26Å; D3-K5 IonicContact OD2-NZ 2.73Å; D3-K5 PolarHBondContact OD2-NZ 3.28Å
4D43.2Very low58Low129 Ų12998.2 Ų98.269%0.6949%0.49SS*.  trans-66.743.7171.9-95-30.3000111.4L2 S6 I7L2-D4 PolarHBondContact O-N 2.76Å; D4-S6 PolarHBondContact O-N 3.2Å; D4-I7 HydrophobicContact CB-CD1 4.07Å; D4-I7 PolarHBondContact O-N 3.25Å
5K46.4Very low59.6Low168 Ų16892.1 Ų92.173%0.7346%0.46SS*.THydrogen-bonded Turntrans-66.9-2.4-178.8-89.7171.8178.7151.60113.7D3D3-K5 HydrophobicContact CB-CB 4.37Å; D3-K5 HydrophobicContact CB-CD 3.85Å; D3-K5 HydrophobicContact CB-CG 3.83Å; D3-K5 PolarHBondContact O-N 3.31Å; D3-K5 WeakPolarHBondContact OD2-CE 3.26Å; D3-K5 IonicContact OD2-NZ 2.73Å; D3-K5 PolarHBondContact OD2-NZ 3.28Å
6S54.5Low60.8Low45 Ų4588.8 Ų88.832%0.31545%0.446SS..THydrogen-bonded Turntrans-99.38.1-179.5550000113.9D4 T16 N17D4-S6 PolarHBondContact O-N 3.2Å; S6-T16 VanDerWaalsContact O-CA 3.25Å; S6-T16 WeakPolarHBondContact O-CA 3.45Å; S6-N17 WeakPolarHBondContact CB-OD1 3.36Å; S6-N17 PolarHBondContact O-N 3.46Å; S6-N17 PolarHBondContact O-OD1 3.32Å
7I63.3Low61.9Low79 Ų7986.9 Ų86.941%0.40544%0.438SS..EExtended strand (participates in β ladder)trans-94.9108177-53.2175.4000109.4D4 E14 T16D4-I7 HydrophobicContact CB-CD1 4.07Å; D4-I7 PolarHBondContact O-N 3.25Å; I7-E14 HydrophobicContact CG2-CB 3.78Å; I7-E14 HydrophobicContact CG2-CG 3.98Å; I7-T16 HydrophobicContact CG1-CG2 4.47Å
8H67.1Low63.2Low102 Ų10286.6 Ų86.647%0.47244%0.435SS..EExtended strand (participates in β ladder)trans-94.4134.2172.8-100.1-81.2000110.5I10 E14 L15H8-I10 HydrophobicContact CB-CD1 4.36Å; H8-I10 HydrophobicContact CB-CG1 4.48Å; H8-E14 WeakPolarHBondContact O-CA 3.18Å; H8-L15 PolarHBondContact N-O 2.67Å; H8-L15 PolarHBondContact O-N 3.06Å
9R71.7Confident64.3Low145 Ų14582.7 Ų82.755%0.54742%0.415SS..EExtended strand (participates in β ladder)trans-106.8110.7175.1-167.3169.3176.2156.6-8.9110.4I13 E14 V39R9-I13 CarbonylContact C-O 3.56Å; R9-I13 VanDerWaalsContact CA-O 3.23Å; R9-I13 WeakPolarHBondContact CA-O 2.99Å; R9-E14 HydrophobicContact CB-CG 3.95Å; R9-E14 WeakPolarHBondContact CD-OE1 3.41Å; R9-E14 HydrophobicContact CG-CG 3.84Å; R9-E14 IonicContact CZ-OE1 3.89Å; R9-E14 IonicContact NE-OE1 3.76Å; R9-E14 IonicContact NH1-OE1 2.97Å; R9-E14 PolarHBondContact NH1-OE1 3.16Å; R9-V39 HydrophobicContact CG-CG2 4.27Å
10I70.4Confident65.2Low46 Ų4680.2 Ų80.224%0.23640%0.404CS..EExtended strand (participates in β ladder)trans-127.5125.2-175.4-55.1172.4000108.6H8 G12 I13 L94 T99H8-I10 HydrophobicContact CB-CD1 4.36Å; H8-I10 HydrophobicContact CB-CG1 4.48Å; I10-G12 PolarHBondContact O-N 3.08Å; I10-G12 VanDerWaalsContact O-N 3.17Å; I10-I13 PolarHBondContact N-O 2.78Å; I10-I13 WeakPolarHBondContact O-CB 3.31Å; I10-I13 WeakPolarHBondContact O-CD1 3.34Å; I10-I13 PolarHBondContact O-N 3.34Å; I10-L94 HydrophobicContact CB-CD1 4.12Å; I10-L94 HydrophobicContact CG2-CD1 4.22Å; I10-T99 HydrophobicContact CB-CG2 4.13Å; I10-T99 HydrophobicContact CD1-CG2 3.37Å; I10-T99 HydrophobicContact CG1-CG2 4.3Å; I10-T99 HydrophobicContact CG2-CG2 3.64Å
11N69.5Low66Low66 Ų6676.7 Ų76.735%0.35339%0.386SS..THydrogen-bonded Turntrans5037.7-174.9-102.416.4000113.9I13 L94N11-I13 VanDerWaalsContact C-N 3.34Å; N11-I13 HydrophobicContact CB-CD1 4.41Å; N11-L94 PolarHBondContact ND2-O 2.89Å
12G69.1Low68.2Low19 Ų1971.2 Ų71.220%0.19636%0.358CS..THydrogen-bonded Turntrans74.321.2-17800000114.1I10 N38 V39 D40I10-G12 PolarHBondContact O-N 3.08Å; I10-G12 VanDerWaalsContact O-N 3.17Å; G12-N38 PolarHBondContact O-OD1 2.6Å; G12-V39 WeakPolarHBondContact O-CA 3.41Å; G12-V39 WeakPolarHBondContact O-CG2 3.33Å; G12-V39 PolarHBondContact O-N 3.25Å; G12-D40 PolarHBondContact O-N 3.47Å
13I76.1Confident69.8Low1 Ų168.8 Ų68.81%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-121.2126.8174.7-55.8126.5000110.3R9 I10 N11 L36 H37 F46 L94R9-I13 CarbonylContact C-O 3.56Å; R9-I13 VanDerWaalsContact CA-O 3.23Å; R9-I13 WeakPolarHBondContact CA-O 2.99Å; I10-I13 PolarHBondContact N-O 2.78Å; I10-I13 WeakPolarHBondContact O-CB 3.31Å; I10-I13 WeakPolarHBondContact O-CD1 3.34Å; I10-I13 PolarHBondContact O-N 3.34Å; N11-I13 VanDerWaalsContact C-N 3.34Å; N11-I13 HydrophobicContact CB-CD1 4.41Å; I13-L36 HydrophobicContact CG2-CB 4.11Å; I13-L36 HydrophobicContact CG2-CD2 4.2Å; I13-H37 CarbonylContact C-O 3.59Å; I13-H37 VanDerWaalsContact CA-O 3.24Å; I13-H37 WeakPolarHBondContact CA-O 3.17Å; I13-F46 HydrophobicContact CD1-CD1 4.35Å; I13-F46 HydrophobicContact CD1-CE1 3.12Å; I13-F46 HydrophobicContact CD1-CZ 3.21Å; I13-F46 HydrophobicContact CG1-CE1 3.95Å; I13-F46 HydrophobicContact CG1-CZ 3.59Å; I13-L94 HydrophobicContact CD1-CB 4.01Å; I13-L94 HydrophobicContact CD1-CD1 4.03Å; I13-L94 HydrophobicContact CD1-CD2 4.28Å; I13-L94 HydrophobicContact CD1-CG 4.32Å
14E82Confident71.7Confident60 Ų6064.3 Ų64.328%0.2832%0.317SS..EExtended strand (participates in β ladder)trans-89.7127.5173.8-76.2170.2-167.600110.5I7 H8 R9 L36 H37 V39I7-E14 HydrophobicContact CG2-CB 3.78Å; I7-E14 HydrophobicContact CG2-CG 3.98Å; H8-E14 WeakPolarHBondContact O-CA 3.18Å; R9-E14 HydrophobicContact CB-CG 3.95Å; R9-E14 WeakPolarHBondContact CD-OE1 3.41Å; R9-E14 HydrophobicContact CG-CG 3.84Å; R9-E14 IonicContact CZ-OE1 3.89Å; R9-E14 IonicContact NE-OE1 3.76Å; R9-E14 IonicContact NH1-OE1 2.97Å; R9-E14 PolarHBondContact NH1-OE1 3.16Å; E14-L36 CarbonylContact O-C 3.52Å; E14-L36 WeakPolarHBondContact O-CA 3.36Å; E14-H37 HydrophobicContact CB-CB 4.32Å; E14-H37 PolarHBondContact N-O 2.86Å; E14-H37 PolarHBondContact O-N 2.64Å; E14-V39 HydrophobicContact CG-CG2 4.15Å
15L82.4Confident72.8Confident7 Ų762 Ų624%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-146.9145.2-172.9160.569.3000109.5H8 L34 L36 F92 V101H8-L15 PolarHBondContact N-O 2.67Å; H8-L15 PolarHBondContact O-N 3.06Å; L15-L34 HydrophobicContact CD1-CD1 3.47Å; L15-L34 VanDerWaalsContact CD1-CD1 3.47Å; L15-L34 HydrophobicContact CD1-CD2 3.81Å; L15-L34 HydrophobicContact CD1-CG 3.7Å; L15-L36 HydrophobicContact CB-CD2 4.33Å; L15-L36 HydrophobicContact CD1-CD2 4Å; L15-L36 HydrophobicContact CD1-CG 3.97Å; L15-L36 HydrophobicContact CD2-CD2 4.34Å; L15-L36 HydrophobicContact CG-CD2 4.46Å; L15-F92 HydrophobicContact CD2-CD2 4.48Å; L15-V101 HydrophobicContact CD1-CG2 3.82Å; L15-V101 HydrophobicContact CD2-CG2 3.75Å; L15-V101 HydrophobicContact CG-CG2 4.07Å
16T79.5Confident74.1Confident38 Ų3856 Ų5623%0.23329%0.286CS..EExtended strand (participates in β ladder)trans-82.3136.217041.20000112.2S6 I7 L34S6-T16 VanDerWaalsContact O-CA 3.25Å; S6-T16 WeakPolarHBondContact O-CA 3.45Å; I7-T16 HydrophobicContact CG1-CG2 4.47Å; T16-L34 WeakPolarHBondContact OG1-CD1 3.4Å
17N78.9Confident75.1Confident57 Ų5757.4 Ų57.431%0.30531%0.307SS..SBendtrans-81.3-20.9-174.554.7-14.5000114.3S6 V101 T102S6-N17 WeakPolarHBondContact CB-OD1 3.36Å; S6-N17 PolarHBondContact O-N 3.46Å; S6-N17 PolarHBondContact O-OD1 3.32Å; N17-V101 CarbonylContact O-C 3.59Å; N17-V101 WeakPolarHBondContact O-CA 3.28Å; N17-T102 PolarHBondContact O-N 3.09Å
18E84.9Confident75.8Confident82 Ų8259.1 Ų59.138%0.38331%0.313SS..EExtended strand (participates in β ladder)trans-143.9153.417566.9176.1-173.900114T102 K104E18-T102 CarbonylContact C-O 3.55Å; E18-T102 WeakPolarHBondContact CA-O 3.49Å; E18-T102 WeakPolarHBondContact CB-O 3.35Å; E18-K104 IonicContact OE2-NZ 2.74Å; E18-K104 PolarHBondContact OE2-NZ 2.83Å
19I84.1Confident76.5Confident13 Ų1361.2 Ų61.27%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-128.8121.5170.1-64.9168.4000108.1W21 K32 L34 I76 T102 L103 K104I19-W21 HydrophobicContact CB-CH2 4.18Å; I19-W21 HydrophobicContact CB-CZ3 4.05Å; I19-W21 HydrophobicContact CG2-CD2 4.29Å; I19-W21 HydrophobicContact CG2-CE3 3.95Å; I19-W21 HydrophobicContact CG2-CH2 3.48Å; I19-W21 VanDerWaalsContact CG2-CH2 3.48Å; I19-W21 HydrophobicContact CG2-CZ2 3.84Å; I19-W21 HydrophobicContact CG2-CZ3 3.52Å; I19-K32 HydrophobicContact CG2-CB 3.88Å; I19-K32 HydrophobicContact CG2-CD 3.51Å; I19-K32 HydrophobicContact CG2-CG 4.28Å; I19-L34 HydrophobicContact CD1-CB 3.9Å; I19-L34 HydrophobicContact CD1-CD1 3.91Å; I19-L34 HydrophobicContact CD1-CG 4.34Å; I19-L34 HydrophobicContact CG1-CD1 4.47Å; I19-I76 HydrophobicContact CD1-CD1 3.8Å; I19-T102 PolarHBondContact N-O 2.98Å; I19-L103 HydrophobicContact CB-CD2 3.97Å; I19-L103 HydrophobicContact CD1-CD2 4.19Å; I19-L103 HydrophobicContact CG1-CD2 4.48Å; I19-L103 WeakPolarHBondContact O-CA 3.2Å; I19-K104 PolarHBondContact O-N 2.99Å
20V82.9Confident77.1Confident31 Ų3157 Ų5719%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-109.4126.6-179.6-171.80000110.2E22 K32 K104 I106V20-E22 HydrophobicContact CG1-CG 4.06Å; V20-K32 WeakPolarHBondContact O-CE 3.36Å; V20-K32 PolarHBondContact O-NZ 2.81Å; V20-K104 CarbonylContact C-O 3.54Å; V20-K104 VanDerWaalsContact CA-O 3.32Å; V20-K104 WeakPolarHBondContact CA-O 3.32Å; V20-K104 HydrophobicContact CG1-CB 4.3Å; V20-K104 HydrophobicContact CG2-CB 4.25Å; V20-I106 HydrophobicContact CG1-CD1 3.76Å; V20-I106 HydrophobicContact CG1-CG1 3.87Å
21W81.1Confident77.7Confident7 Ų758.5 Ų58.53%0.02732%0.317CS..EExtended strand (participates in β ladder)trans-97.6119.1167.2-72.1-95.8000109.8I19 Y30 K32 F56 I76 F78 L103 K104 I106I19-W21 HydrophobicContact CB-CH2 4.18Å; I19-W21 HydrophobicContact CB-CZ3 4.05Å; I19-W21 HydrophobicContact CG2-CD2 4.29Å; I19-W21 HydrophobicContact CG2-CE3 3.95Å; I19-W21 HydrophobicContact CG2-CH2 3.48Å; I19-W21 VanDerWaalsContact CG2-CH2 3.48Å; I19-W21 HydrophobicContact CG2-CZ2 3.84Å; I19-W21 HydrophobicContact CG2-CZ3 3.52Å; W21-Y30 VanDerWaalsContact CD1-CB 3.47Å; W21-Y30 PolarHBondContact NE1-O 3.19Å; W21-K32 HydrophobicContact CZ2-CB 4.02Å; W21-K32 HydrophobicContact CZ2-CG 4.39Å; W21-F56 AromaticContact CE3-CE1 3.73Å; W21-F56 HydrophobicContact CE3-CE1 3.73Å; W21-F56 AromaticContact CH2-CD1 3.87Å; W21-F56 HydrophobicContact CH2-CD1 3.87Å; W21-F56 AromaticContact CH2-CE1 3.85Å; W21-F56 HydrophobicContact CH2-CE1 3.85Å; W21-F56 AromaticContact CZ3-CD1 3.86Å; W21-F56 HydrophobicContact CZ3-CD1 3.86Å; W21-F56 AromaticContact CZ3-CE1 3.36Å; W21-F56 HydrophobicContact CZ3-CE1 3.36Å; W21-F56 HydrophobicContact CZ3-CZ 4.29Å; W21-I76 HydrophobicContact CH2-CB 4.32Å; W21-I76 HydrophobicContact CH2-CG2 3.81Å; W21-I76 HydrophobicContact CZ2-CB 4.48Å; W21-I76 HydrophobicContact CZ2-CG2 4.23Å; W21-F78 HydrophobicContact CB-CD1 4.08Å; W21-F78 HydrophobicContact CB-CE1 4.37Å; W21-F78 HydrophobicContact CD2-CB 3.93Å; W21-F78 HydrophobicContact CD2-CD1 4.24Å; W21-F78 HydrophobicContact CD2-CG 4.25Å; W21-F78 HydrophobicContact CE3-CB 4.44Å; W21-F78 HydrophobicContact CG-CB 4.3Å; W21-F78 AromaticContact CG-CD1 3.9Å; W21-F78 HydrophobicContact CG-CD1 3.9Å; W21-F78 HydrophobicContact CG-CG 4.37Å; W21-F78 HydrophobicContact CH2-CB 4.44Å; W21-F78 HydrophobicContact CZ2-CB 3.91Å; W21-L103 HydrophobicContact CH2-CD2 4.06Å; W21-L103 HydrophobicContact CZ3-CB 4Å; W21-L103 HydrophobicContact CZ3-CD2 3.99Å; W21-L103 HydrophobicContact CZ3-CG 4.48Å; W21-K104 PolarHBondContact N-O 2.79Å; W21-I106 PolarHBondContact O-N 2.87Å
22E74.3Confident78.5Confident118 Ų11859.9 Ų59.955%0.55132%0.32SS*.  trans-107.6149.3174-59.5-179.7174.300108.1V20 W24 I106V20-E22 HydrophobicContact CG1-CG 4.06Å; E22-W24 PolarHBondContact O-N 3.21Å; E22-I106 HydrophobicContact CG-CD1 3.98Å; E22-I106 HydrophobicContact CG-CG1 4.15Å
23E67.7Low79.2Confident124 Ų12463.3 Ų63.358%0.57933%0.333SS*.SBendtrans60.738.9172.5-55-176.8174.800115.5
24W76.7Confident79.6Confident13 Ų1363.3 Ų63.35%0.04933%0.332CS..  trans-91.7152.4176.258.8-90.6000112.6E22 P26 Y30 F78 P80 K82 M84 A105E22-W24 PolarHBondContact O-N 3.21Å; W24-P26 HydrophobicContact CZ3-CG 4.25Å; W24-Y30 HydrophobicContact CB-CD2 3.81Å; W24-Y30 HydrophobicContact CB-CE1 4.5Å; W24-Y30 HydrophobicContact CB-CE2 3.43Å; W24-Y30 VanDerWaalsContact CB-CE2 3.43Å; W24-Y30 HydrophobicContact CB-CG 4.48Å; W24-F78 HydrophobicContact CB-CD1 4.48Å; W24-F78 HydrophobicContact CB-CE1 4Å; W24-F78 AromaticContact CD1-CE1 3.91Å; W24-F78 AromaticContact CD2-CE1 3.59Å; W24-F78 HydrophobicContact CD2-CE1 3.59Å; W24-F78 HydrophobicContact CD2-CZ 4.03Å; W24-F78 AromaticContact CE2-CE1 3.89Å; W24-F78 AromaticContact CE2-CZ 3.99Å; W24-F78 HydrophobicContact CE3-CE1 4.07Å; W24-F78 HydrophobicContact CE3-CZ 4.31Å; W24-F78 HydrophobicContact CG-CD1 4.44Å; W24-F78 AromaticContact CG-CE1 3.57Å; W24-F78 HydrophobicContact CG-CE1 3.57Å; W24-F78 HydrophobicContact CG-CZ 4.43Å; W24-F78 HydrophobicContact CH2-CZ 4.29Å; W24-F78 HydrophobicContact CZ2-CE1 4.45Å; W24-F78 HydrophobicContact CZ2-CZ 4.11Å; W24-F78 HydrophobicContact CZ3-CZ 4.45Å; W24-P80 HydrophobicContact CD2-CB 4.33Å; W24-P80 HydrophobicContact CD2-CG 4.11Å; W24-P80 HydrophobicContact CE3-CB 3.42Å; W24-P80 VanDerWaalsContact CE3-CB 3.42Å; W24-P80 HydrophobicContact CE3-CG 3.35Å; W24-P80 HydrophobicContact CH2-CB 3.99Å; W24-P80 HydrophobicContact CZ3-CB 3.23Å; W24-P80 HydrophobicContact CZ3-CG 3.77Å; W24-K82 VanDerWaalsContact CH2-O 3.25Å; W24-K82 WeakPolarHBondContact CH2-O 3.45Å; W24-K82 VanDerWaalsContact CZ3-O 3.26Å; W24-K82 WeakPolarHBondContact CZ3-O 3.48Å; W24-M84 WeakPolarHBondContact CH2-O 3.48Å; W24-M84 WeakPolarHBondContact CZ2-O 3.48Å; W24-A105 HydrophobicContact CZ2-CB 3.92Å
25V66Low79.6Confident81 Ų8167.7 Ų67.749%0.49135%0.346SS..  trans-123.3140.4179.3-155.50000109.3G27 E28 Y30V25-G27 PolarHBondContact O-N 2.85Å; V25-E28 PolarHBondContact O-N 3.19Å; V25-Y30 PolarHBondContact N-OH 2.76Å
26P73.4Confident79.6Confident43 Ų4367.3 Ų67.328%0.27935%0.345SS..THydrogen-bonded Turntrans-60137.5177.5-25.135.5000112.3W24 P80 L83W24-P26 HydrophobicContact CZ3-CG 4.25Å; P26-P80 CarbonylContact C-O 3.57Å; P26-P80 WeakPolarHBondContact CA-O 3.45Å; P26-L83 HydrophobicContact CG-CB 4.18Å; P26-L83 HydrophobicContact CG-CD1 3.86Å; P26-L83 HydrophobicContact CG-CG 3.55Å
27G75.1Confident79.8Confident74 Ų7468.3 Ų68.376%0.76335%0.347SS*.THydrogen-bonded Turntrans95.6-17.7-179.200000114.6V25 P80V25-G27 PolarHBondContact O-N 2.85Å; G27-P80 PolarHBondContact N-O 2.64Å
28E78.8Confident79.9Confident115 Ų11565.6 Ų65.654%0.53733%0.332SS..  trans-84.3165.5173.5-72.2-90.6144.600111.4V25 Y30V25-E28 PolarHBondContact O-N 3.19Å; E28-Y30 HydrophobicContact CB-CD2 4.38Å; E28-Y30 HydrophobicContact CB-CE2 3.48Å; E28-Y30 VanDerWaalsContact CB-CE2 3.48Å; E28-Y30 WeakPolarHBondContact CB-OH 3.41Å
29K82Confident79.7Confident146 Ų14664 Ų6464%0.63533%0.327SS*.  trans-119.9131174.468.1-175.9-178.3-178.20109.7T77 R79K29-T77 HydrophobicContact CB-CG2 4.21Å; K29-R79 HydrophobicContact CB-CG 3.98Å
30Y83.4Confident79.4Confident57 Ų5765.9 Ų65.922%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-124.4116.3-178.8-57.7-86.9000110W21 W24 V25 E28 T77 F78 P80W21-Y30 VanDerWaalsContact CD1-CB 3.47Å; W21-Y30 PolarHBondContact NE1-O 3.19Å; W24-Y30 HydrophobicContact CB-CD2 3.81Å; W24-Y30 HydrophobicContact CB-CE1 4.5Å; W24-Y30 HydrophobicContact CB-CE2 3.43Å; W24-Y30 VanDerWaalsContact CB-CE2 3.43Å; W24-Y30 HydrophobicContact CB-CG 4.48Å; V25-Y30 PolarHBondContact N-OH 2.76Å; E28-Y30 HydrophobicContact CB-CD2 4.38Å; E28-Y30 HydrophobicContact CB-CE2 3.48Å; E28-Y30 VanDerWaalsContact CB-CE2 3.48Å; E28-Y30 WeakPolarHBondContact CB-OH 3.41Å; Y30-T77 CarbonylContact O-C 3.52Å; Y30-T77 WeakPolarHBondContact O-CA 3.48Å; Y30-F78 HydrophobicContact CD2-CD1 4.23Å; Y30-F78 PolarHBondContact N-O 3.35Å; Y30-F78 PolarHBondContact O-N 3.02Å; Y30-P80 HydrophobicContact CE2-CG 4.42Å
31T84.1Confident79.2Confident77 Ų7775.5 Ų75.547%0.47237%0.371SS..EExtended strand (participates in β ladder)trans-106.6127.2-179.9-54.20000110.3P75 I76 T77T31-P75 HydrophobicContact CG2-CB 3.76Å; T31-I76 CarbonylContact C-O 3.56Å; T31-I76 WeakPolarHBondContact CA-O 3.2Å; T31-T77 WeakPolarHBondContact OG1-CG2 3.27Å; T31-T77 PolarHBondContact OG1-OG1 3.2Å
32K85.5Confident79.1Confident95 Ų9580.4 Ų80.441%0.41340%0.396SS..EExtended strand (participates in β ladder)trans-118.4151.9168.9-77.1-169.4171.3-164.30109.6I19 V20 W21 P75 I76I19-K32 HydrophobicContact CG2-CB 3.88Å; I19-K32 HydrophobicContact CG2-CD 3.51Å; I19-K32 HydrophobicContact CG2-CG 4.28Å; V20-K32 WeakPolarHBondContact O-CE 3.36Å; V20-K32 PolarHBondContact O-NZ 2.81Å; W21-K32 HydrophobicContact CZ2-CB 4.02Å; W21-K32 HydrophobicContact CZ2-CG 4.39Å; K32-P75 CarbonylContact O-C 3.58Å; K32-P75 WeakPolarHBondContact O-CA 3.37Å; K32-I76 PolarHBondContact N-O 3.27Å; K32-I76 PolarHBondContact O-N 2.86Å
33I84Confident79.5Confident91 Ų9176.6 Ų76.647%0.46738%0.383SS..EExtended strand (participates in β ladder)trans-103122.4-175.9-60173.6000109R35 E73I33-R35 HydrophobicContact CG2-CG 4.25Å; I33-E73 HydrophobicContact CG2-CB 3.6Å; I33-E73 HydrophobicContact CG2-CG 4.11Å
34L84.4Confident79.9Confident0 Ų071.9 Ų71.90%036%0.36CS..EExtended strand (participates in β ladder)trans-92.4115170.5-175.558.4000109.2L15 T16 I19 L74 I76 M90 F92 V101L15-L34 HydrophobicContact CD1-CD1 3.47Å; L15-L34 VanDerWaalsContact CD1-CD1 3.47Å; L15-L34 HydrophobicContact CD1-CD2 3.81Å; L15-L34 HydrophobicContact CD1-CG 3.7Å; T16-L34 WeakPolarHBondContact OG1-CD1 3.4Å; I19-L34 HydrophobicContact CD1-CB 3.9Å; I19-L34 HydrophobicContact CD1-CD1 3.91Å; I19-L34 HydrophobicContact CD1-CG 4.34Å; I19-L34 HydrophobicContact CG1-CD1 4.47Å; L34-L74 HydrophobicContact CB-CB 4.07Å; L34-L74 WeakPolarHBondContact CB-O 3.35Å; L34-L74 PolarHBondContact N-O 3.25Å; L34-L74 WeakPolarHBondContact O-CB 3.19Å; L34-L74 PolarHBondContact O-N 2.6Å; L34-I76 HydrophobicContact CB-CD1 4.16Å; L34-I76 HydrophobicContact CB-CG1 4.46Å; L34-I76 HydrophobicContact CD2-CD1 3.96Å; L34-M90 HydrophobicContact CD2-SD 4.24Å; L34-F92 HydrophobicContact CD2-CE2 3.66Å; L34-F92 HydrophobicContact CD2-CZ 3.46Å; L34-F92 VanDerWaalsContact CD2-CZ 3.46Å; L34-V101 HydrophobicContact CD1-CG1 4.35Å; L34-V101 HydrophobicContact CD2-CG1 4.25Å; L34-V101 HydrophobicContact CD2-CG2 4.16Å
35R82.4Confident80.1Confident152 Ų15276.4 Ų76.457%0.57439%0.386SS*.EExtended strand (participates in β ladder)trans-92.2126.5178.8-65.7-176.6166.4160.5-3.9110.1I33 T71 I72 E73I33-R35 HydrophobicContact CG2-CG 4.25Å; R35-T71 HydrophobicContact CB-CG2 4.4Å; R35-I72 WeakPolarHBondContact CA-O 3.19Å; R35-E73 HydrophobicContact CG-CG 4.19Å; R35-E73 IonicContact CZ-OE1 2.56Å; R35-E73 IonicContact NE-OE1 2.77Å; R35-E73 PolarHBondContact NE-OE1 2.79Å; R35-E73 IonicContact NH2-OE1 2.88Å; R35-E73 PolarHBondContact NH2-OE1 2.77Å
36L82.4Confident80.6Confident0 Ų072.6 Ų72.60%036%0.362CS..EExtended strand (participates in β ladder)trans-111.8126.1166.9-63.5109.3000108.7I13 E14 L15 M66 T71 I72 L74 F92 L94I13-L36 HydrophobicContact CG2-CB 4.11Å; I13-L36 HydrophobicContact CG2-CD2 4.2Å; E14-L36 CarbonylContact O-C 3.52Å; E14-L36 WeakPolarHBondContact O-CA 3.36Å; L15-L36 HydrophobicContact CB-CD2 4.33Å; L15-L36 HydrophobicContact CD1-CD2 4Å; L15-L36 HydrophobicContact CD1-CG 3.97Å; L15-L36 HydrophobicContact CD2-CD2 4.34Å; L15-L36 HydrophobicContact CG-CD2 4.46Å; L36-M66 HydrophobicContact CB-CE 4.32Å; L36-M66 HydrophobicContact CB-SD 4.26Å; L36-M66 WeakPolarHBondContact O-CE 3.32Å; L36-T71 CarbonylContact O-C 3.53Å; L36-T71 VanDerWaalsContact O-CA 3.28Å; L36-T71 WeakPolarHBondContact O-CA 3.23Å; L36-T71 WeakPolarHBondContact O-CG2 3.48Å; L36-I72 PolarHBondContact N-O 3.23Å; L36-I72 PolarHBondContact O-N 3.43Å; L36-L74 HydrophobicContact CD1-CB 4.31Å; L36-L74 HydrophobicContact CD1-CD1 3.24Å; L36-L74 HydrophobicContact CD1-CG 4.34Å; L36-F92 HydrophobicContact CD1-CE1 3.94Å; L36-F92 HydrophobicContact CD1-CZ 4.29Å; L36-F92 HydrophobicContact CD2-CD1 4.09Å; L36-F92 HydrophobicContact CD2-CE1 3.97Å; L36-L94 HydrophobicContact CD2-CD2 4.4Å
37H83.1Confident81Confident59 Ų5972.5 Ų72.527%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-117.8116.4179.6-176.6-57000110.3I13 E14 V39 T71I13-H37 CarbonylContact C-O 3.59Å; I13-H37 VanDerWaalsContact CA-O 3.24Å; I13-H37 WeakPolarHBondContact CA-O 3.17Å; E14-H37 HydrophobicContact CB-CB 4.32Å; E14-H37 PolarHBondContact N-O 2.86Å; E14-H37 PolarHBondContact O-N 2.64Å; H37-V39 VanDerWaalsContact CE1-CG1 3.41Å; H37-V39 WeakPolarHBondContact CE1-CG1 3.29Å; H37-V39 VanDerWaalsContact ND1-CG1 3.29Å; H37-V39 WeakPolarHBondContact ND1-CG1 3.3Å; H37-V39 PolarHBondContact O-N 2.84Å; H37-T71 HydrophobicContact CB-CG2 4.37Å; H37-T71 PolarHBondContact CD2-OG1 2.91Å
38N82Confident81.4Confident0 Ų069.1 Ų69.10%033%0.326CS..EExtended strand (participates in β ladder)trans-80.4104.1174.1-1775.2000109.6G12 D40 I42 M66 S67 G69 T70G12-N38 PolarHBondContact O-OD1 2.6Å; N38-D40 VanDerWaalsContact OD1-CB 3.31Å; N38-D40 WeakPolarHBondContact OD1-CB 3.25Å; N38-D40 PolarHBondContact OD1-N 3.45Å; N38-I42 PolarHBondContact ND2-O 3.26Å; N38-I42 VanDerWaalsContact ND2-O 3.09Å; N38-M66 HydrophobicContact CB-CB 3.95Å; N38-M66 HydrophobicContact CB-CE 3.77Å; N38-M66 PolarHBondContact ND2-O 2.92Å; N38-S67 PolarHBondContact ND2-O 2.7Å; N38-G69 WeakPolarHBondContact O-CA 3.39Å; N38-G69 PolarHBondContact O-N 2.8Å; N38-T70 PolarHBondContact N-O 2.77Å
39V81.5Confident81.7Confident47 Ų4768.9 Ų68.929%0.28533%0.328SS..  trans-95.53.9177.5-89.40000112.6R9 G12 E14 H37R9-V39 HydrophobicContact CG-CG2 4.27Å; G12-V39 WeakPolarHBondContact O-CA 3.41Å; G12-V39 WeakPolarHBondContact O-CG2 3.33Å; G12-V39 PolarHBondContact O-N 3.25Å; E14-V39 HydrophobicContact CG-CG2 4.15Å; H37-V39 VanDerWaalsContact CE1-CG1 3.41Å; H37-V39 WeakPolarHBondContact CE1-CG1 3.29Å; H37-V39 VanDerWaalsContact ND1-CG1 3.29Å; H37-V39 WeakPolarHBondContact ND1-CG1 3.3Å; H37-V39 PolarHBondContact O-N 2.84Å
40D77.8Confident81.8Confident54 Ų5464.1 Ų64.129%0.28931%0.308SS..SBendtrans-82.4162.4175.8-155.3-8.1000112.1G12 N38 I42 H44 P68G12-D40 PolarHBondContact O-N 3.47Å; N38-D40 VanDerWaalsContact OD1-CB 3.31Å; N38-D40 WeakPolarHBondContact OD1-CB 3.25Å; N38-D40 PolarHBondContact OD1-N 3.45Å; D40-I42 VanDerWaalsContact C-N 3.29Å; D40-H44 IonicContact OD2-CD2 2.72Å; D40-H44 IonicContact OD2-CE1 3.44Å; D40-H44 IonicContact OD2-NE2 2.68Å; D40-H44 PolarHBondContact OD2-NE2 3.33Å; D40-P68 WeakPolarHBondContact O-CA 3.35Å; D40-P68 WeakPolarHBondContact O-CB 3.37Å
41R78.2Confident81.6Confident233 Ų23362.3 Ų62.388%0.87930%0.303SS*.SBendtrans-83.4-2.3175.1-67.6-173.7179.4179.90.9113.4P68R41-P68 WeakPolarHBondContact O-CG 3.15Å
42I79.1Confident81.2Confident109 Ų10971 Ų7156%0.55933%0.327SS*.SBendtrans-116.6148.6-177.5-42.4176000110.5N38 D40N38-I42 PolarHBondContact ND2-O 3.26Å; N38-I42 VanDerWaalsContact ND2-O 3.09Å; D40-I42 VanDerWaalsContact C-N 3.29Å
43S81.1Confident80.6Confident38 Ų3869 Ų6927%0.26633%0.325SS..  trans-75.5131.4171.5-52.90000110.5M66S43-M66 CarbonylContact C-O 3.58Å; S43-M66 VanDerWaalsContact CA-O 3.23Å; S43-M66 WeakPolarHBondContact CA-O 3.24Å
44H77.4Confident80.1Confident25 Ų2567.4 Ų67.412%0.11633%0.331CS..EExtended strand (participates in β ladder)trans-113.3142.7179-73.4-64.2000111D40 F46 R65 M66 S95D40-H44 IonicContact OD2-CD2 2.72Å; D40-H44 IonicContact OD2-CE1 3.44Å; D40-H44 IonicContact OD2-NE2 2.68Å; D40-H44 PolarHBondContact OD2-NE2 3.33Å; H44-F46 HydrophobicContact CB-CE1 3.91Å; H44-F46 HydrophobicContact CB-CE2 3.53Å; H44-F46 HydrophobicContact CB-CZ 3.19Å; H44-F46 WeakPolarHBondContact O-CD2 3.04Å; H44-F46 VanDerWaalsContact O-CE2 3.26Å; H44-F46 WeakPolarHBondContact O-CE2 3.44Å; H44-R65 CarbonylContact O-C 3.55Å; H44-R65 WeakPolarHBondContact O-CA 3.34Å; H44-M66 PolarHBondContact N-O 3.02Å; H44-M66 PolarHBondContact O-N 3.37Å; H44-S95 PolarHBondContact ND1-OG 3.22Å
45N80.5Confident80Confident108 Ų10868.9 Ų68.958%0.57834%0.34SS*.EExtended strand (participates in β ladder)trans-95.8130171.7-71.4-27.3000109R65 S95N45-R65 VanDerWaalsContact OD1-CB 3.27Å; N45-R65 WeakPolarHBondContact OD1-CB 3.29Å; N45-R65 WeakPolarHBondContact OD1-CD 3.49Å; N45-R65 WeakPolarHBondContact OD1-CG 3.36Å; N45-S95 PolarHBondContact O-N 3.14Å
46F76.9Confident80.1Confident1 Ų161.8 Ų61.80%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-116.3141.5-176.2-62.3-65.8000110.6I13 H44 K63 F64 M66 D93 L94I13-F46 HydrophobicContact CD1-CD1 4.35Å; I13-F46 HydrophobicContact CD1-CE1 3.12Å; I13-F46 HydrophobicContact CD1-CZ 3.21Å; I13-F46 HydrophobicContact CG1-CE1 3.95Å; I13-F46 HydrophobicContact CG1-CZ 3.59Å; H44-F46 HydrophobicContact CB-CE1 3.91Å; H44-F46 HydrophobicContact CB-CE2 3.53Å; H44-F46 HydrophobicContact CB-CZ 3.19Å; H44-F46 WeakPolarHBondContact O-CD2 3.04Å; H44-F46 VanDerWaalsContact O-CE2 3.26Å; H44-F46 WeakPolarHBondContact O-CE2 3.44Å; F46-K63 CarbonylContact O-C 3.56Å; F46-K63 VanDerWaalsContact O-CA 3.26Å; F46-K63 WeakPolarHBondContact O-CA 3.47Å; F46-F64 HydrophobicContact CB-CD2 3.77Å; F46-F64 HydrophobicContact CB-CE1 4.36Å; F46-F64 HydrophobicContact CB-CE2 3.42Å; F46-F64 VanDerWaalsContact CB-CE2 3.42Å; F46-F64 HydrophobicContact CB-CG 4.38Å; F46-F64 HydrophobicContact CB-CZ 3.75Å; F46-F64 AromaticContact CD2-CD2 3.8Å; F46-F64 HydrophobicContact CD2-CD2 3.8Å; F46-F64 AromaticContact CD2-CE2 3.59Å; F46-F64 HydrophobicContact CD2-CE2 3.59Å; F46-F64 HydrophobicContact CG-CD2 4.16Å; F46-F64 AromaticContact CG-CE2 3.69Å; F46-F64 HydrophobicContact CG-CE2 3.69Å; F46-F64 HydrophobicContact CG-CZ 4.34Å; F46-F64 PolarHBondContact N-O 2.92Å; F46-F64 PolarHBondContact O-N 3.11Å; F46-M66 HydrophobicContact CD2-CB 4.16Å; F46-M66 HydrophobicContact CD2-CG 3.62Å; F46-M66 HydrophobicContact CD2-SD 3.68Å; F46-M66 HydrophobicContact CE2-CB 3.63Å; F46-M66 HydrophobicContact CE2-CG 3.52Å; F46-M66 HydrophobicContact CE2-SD 3.47Å; F46-M66 WeakPolarHBondContact CE2-SD 3.47Å; F46-M66 HydrophobicContact CZ-SD 4.22Å; F46-D93 WeakPolarHBondContact CA-O 3.35Å; F46-L94 HydrophobicContact CD1-CB 4.04Å; F46-L94 HydrophobicContact CD1-CD2 3.23Å; F46-L94 HydrophobicContact CD1-CG 4.18Å; F46-L94 HydrophobicContact CE1-CB 3.8Å; F46-L94 HydrophobicContact CE1-CD2 3.49Å; F46-L94 VanDerWaalsContact CE1-CD2 3.49Å; F46-L94 HydrophobicContact CE1-CG 4.17Å; F46-L94 HydrophobicContact CG-CD2 4.32Å
47T81.8Confident80.1Confident42 Ų4263.4 Ų63.426%0.25833%0.325SS..EExtended strand (participates in β ladder)trans-127.6146.5162.176.20000110.8N62 K63 F92 D93T47-N62 CarbonylContact C-O 3.6Å; T47-N62 WeakPolarHBondContact CA-O 3.47Å; T47-N62 WeakPolarHBondContact CB-O 3.22Å; T47-K63 HydrophobicContact CG2-CB 4.11Å; T47-K63 HydrophobicContact CG2-CD 3.8Å; T47-K63 HydrophobicContact CG2-CG 3.56Å; T47-F92 CarbonylContact O-C 3.56Å; T47-F92 WeakPolarHBondContact O-CA 3.35Å; T47-D93 PolarHBondContact N-O 2.78Å; T47-D93 PolarHBondContact O-N 3.45Å; T47-D93 WeakPolarHBondContact OG1-CB 3.23Å
48F83.5Confident80.1Confident3 Ų361.8 Ų61.81%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-134.7151.7172.773.6-90.3000110.9M50 H60 K61 N62 F64 L74 M90 T91 F92F48-M50 HydrophobicContact CD2-CE 4.32Å; F48-M50 HydrophobicContact CE2-CE 4.32Å; F48-M50 HydrophobicContact CE2-CG 4.17Å; F48-M50 HydrophobicContact CE2-SD 4.48Å; F48-H60 HydrophobicContact CZ-CB 4.42Å; F48-K61 WeakPolarHBondContact CE1-O 3.48Å; F48-N62 PolarHBondContact N-O 2.68Å; F48-F64 HydrophobicContact CD1-CD1 4.43Å; F48-F64 AromaticContact CD1-CE1 3.64Å; F48-F64 HydrophobicContact CD1-CE1 3.64Å; F48-F64 HydrophobicContact CE1-CD1 4.32Å; F48-F64 AromaticContact CE1-CE1 3.77Å; F48-F64 HydrophobicContact CE1-CE1 3.77Å; F48-L74 HydrophobicContact CD1-CD1 4.38Å; F48-L74 HydrophobicContact CD1-CD2 4.28Å; F48-L74 HydrophobicContact CE1-CD1 4.32Å; F48-L74 HydrophobicContact CE1-CD2 3.59Å; F48-L74 HydrophobicContact CE2-CD2 4.15Å; F48-L74 HydrophobicContact CZ-CD2 3.5Å; F48-M90 HydrophobicContact CB-CE 3.98Å; F48-M90 HydrophobicContact CD1-CE 4.47Å; F48-M90 HydrophobicContact CD2-CE 3.08Å; F48-M90 HydrophobicContact CE2-CE 3.59Å; F48-M90 HydrophobicContact CG-CE 3.6Å; F48-M90 HydrophobicContact CZ-CE 4.45Å; F48-T91 CarbonylContact C-O 3.52Å; F48-T91 VanDerWaalsContact CA-O 3.3Å; F48-T91 WeakPolarHBondContact CA-O 3.5Å; F48-F92 HydrophobicContact CB-CD1 3.52Å; F48-F92 HydrophobicContact CB-CE1 3.61Å; F48-F92 HydrophobicContact CB-CG 4.03Å; F48-F92 HydrophobicContact CB-CZ 4.21Å; F48-F92 HydrophobicContact CD1-CE1 4.33Å; F48-F92 HydrophobicContact CG-CD1 4.43Å; F48-F92 HydrophobicContact CG-CE1 4.07Å
49L83.8Confident79.9Confident110 Ų11067.9 Ų67.958%0.57636%0.357SS*.EExtended strand (participates in β ladder)trans-120.5130176.5-70.2163000109.2M90 T91L49-M90 WeakPolarHBondContact O-CG 3.43Å; L49-T91 PolarHBondContact N-O 3.21Å; L49-T91 PolarHBondContact O-N 2.82Å
50M84.4Confident79.6Confident46 Ų4669.4 Ų69.423%0.22736%0.361CS..  trans-74.7149.6171.6-69.1-82.873.500110.6F48 S58 M90F48-M50 HydrophobicContact CD2-CE 4.32Å; F48-M50 HydrophobicContact CE2-CE 4.32Å; F48-M50 HydrophobicContact CE2-CG 4.17Å; F48-M50 HydrophobicContact CE2-SD 4.48Å; M50-S58 PolarHBondContact SD-N 3.09Å; M50-M90 HydrophobicContact CE-CB 4.1Å; M50-M90 HydrophobicContact CE-CE 3.26Å; M50-M90 HydrophobicContact CE-CG 3.36Å; M50-M90 HydrophobicContact CE-SD 3.17Å; M50-M90 WeakPolarHBondContact CE-SD 3.45Å
51P79.9Confident79.5Confident18 Ų1875.2 Ų75.212%0.11738%0.384CS..  trans-54.5149.6170.7-19.627.8000112.3S53 F56 E88 L103P51-S53 VanDerWaalsContact C-N 3.25Å; P51-S53 PolarHBondContact O-N 3.45Å; P51-F56 HydrophobicContact CG-CD2 4.39Å; P51-E88 HydrophobicContact CB-CB 4.12Å; P51-E88 WeakPolarHBondContact CB-OE2 3.36Å; P51-E88 HydrophobicContact CG-CB 4.12Å; P51-L103 HydrophobicContact CG-CD1 4.16Å
52R76.4Confident79.5Confident261 Ų26168.2 Ų68.299%0.98536%0.363SS*.THydrogen-bonded Turntrans-68.9-17.7-176.4-71.7-176.3178.3172.90.2114.6G54R52-G54 PolarHBondContact O-N 2.82Å
53S72.4Confident79.5Confident53 Ų5370.7 Ų70.737%0.37137%0.37SS..THydrogen-bonded Turntrans-66.5-20.9-172.670.60000114.4P51 V55 E88P51-S53 VanDerWaalsContact C-N 3.25Å; P51-S53 PolarHBondContact O-N 3.45Å; S53-V55 PolarHBondContact O-N 2.91Å; S53-V55 VanDerWaalsContact O-N 3.14Å; S53-V55 PolarHBondContact OG-N 3.29Å; S53-E88 WeakPolarHBondContact CB-OE1 3.37Å; S53-E88 WeakPolarHBondContact CB-OE2 3.27Å; S53-E88 PolarHBondContact OG-OE1 3.03Å; S53-E88 PolarHBondContact OG-OE2 3.06Å
54G74Confident79.4Confident57 Ų5770.4 Ų70.459%0.58836%0.364SS*.SBendtrans70.7-3-176.100000114.7R52R52-G54 PolarHBondContact O-N 2.82Å
55V80.7Confident79.6Confident31 Ų3177.3 Ų77.319%0.18839%0.389CS..SBendtrans-73.1-34.4179.2-166.20000110.6S53 F78 R79 L86S53-V55 PolarHBondContact O-N 2.91Å; S53-V55 VanDerWaalsContact O-N 3.14Å; S53-V55 PolarHBondContact OG-N 3.29Å; V55-F78 HydrophobicContact CG1-CD2 3.67Å; V55-F78 HydrophobicContact CG1-CE2 3.44Å; V55-F78 VanDerWaalsContact CG1-CE2 3.44Å; V55-F78 WeakPolarHBondContact O-CA 3.29Å; V55-R79 PolarHBondContact O-N 2.8Å; V55-L86 HydrophobicContact CB-CD2 4.11Å; V55-L86 HydrophobicContact CG1-CD2 4.15Å; V55-L86 HydrophobicContact CG2-CD2 4.24Å
56F86Confident79.6Confident3 Ų372.2 Ų72.21%0.01336%0.362CS..EExtended strand (participates in β ladder)trans-99.8136169.4-55.4-76.5000110.4W21 P51 I76 T77 F78 L86 E88 L103W21-F56 AromaticContact CE3-CE1 3.73Å; W21-F56 HydrophobicContact CE3-CE1 3.73Å; W21-F56 AromaticContact CH2-CD1 3.87Å; W21-F56 HydrophobicContact CH2-CD1 3.87Å; W21-F56 AromaticContact CH2-CE1 3.85Å; W21-F56 HydrophobicContact CH2-CE1 3.85Å; W21-F56 AromaticContact CZ3-CD1 3.86Å; W21-F56 HydrophobicContact CZ3-CD1 3.86Å; W21-F56 AromaticContact CZ3-CE1 3.36Å; W21-F56 HydrophobicContact CZ3-CE1 3.36Å; W21-F56 HydrophobicContact CZ3-CZ 4.29Å; P51-F56 HydrophobicContact CG-CD2 4.39Å; F56-I76 HydrophobicContact CB-CG2 4.3Å; F56-I76 HydrophobicContact CD1-CG2 4.42Å; F56-T77 CarbonylContact C-O 3.5Å; F56-T77 WeakPolarHBondContact CA-O 3.41Å; F56-F78 HydrophobicContact CD1-CB 3.86Å; F56-F78 AromaticContact CD1-CD2 3.64Å; F56-F78 HydrophobicContact CD1-CD2 3.64Å; F56-F78 HydrophobicContact CD1-CG 4.14Å; F56-F78 HydrophobicContact CE1-CB 3.83Å; F56-F78 AromaticContact CE1-CD2 3.16Å; F56-F78 HydrophobicContact CE1-CD2 3.16Å; F56-F78 AromaticContact CE1-CE2 3.85Å; F56-F78 HydrophobicContact CE1-CE2 3.85Å; F56-F78 AromaticContact CE1-CG 3.7Å; F56-F78 HydrophobicContact CE1-CG 3.7Å; F56-F78 HydrophobicContact CE2-CD2 4.48Å; F56-F78 HydrophobicContact CG-CD2 4.47Å; F56-F78 AromaticContact CZ-CD2 3.66Å; F56-F78 HydrophobicContact CZ-CD2 3.66Å; F56-F78 AromaticContact CZ-CE2 3.86Å; F56-F78 HydrophobicContact CZ-CE2 3.86Å; F56-L86 HydrophobicContact CD2-CD2 4.48Å; F56-L86 HydrophobicContact CE2-CD2 3.59Å; F56-L86 HydrophobicContact CE2-CG 4.48Å; F56-L86 HydrophobicContact CZ-CD2 4Å; F56-E88 HydrophobicContact CD2-CB 4.36Å; F56-E88 WeakPolarHBondContact CD2-OE2 3.47Å; F56-E88 HydrophobicContact CE2-CB 4.07Å; F56-E88 HydrophobicContact CE2-CG 4.21Å; F56-L103 HydrophobicContact CB-CD1 3.72Å; F56-L103 HydrophobicContact CD1-CB 4.22Å; F56-L103 HydrophobicContact CD1-CD1 3.79Å; F56-L103 HydrophobicContact CD2-CB 4.21Å; F56-L103 HydrophobicContact CD2-CD1 3.8Å; F56-L103 HydrophobicContact CE1-CB 3.91Å; F56-L103 HydrophobicContact CE1-CD1 4.34Å; F56-L103 HydrophobicContact CE2-CB 3.88Å; F56-L103 HydrophobicContact CE2-CD1 4.34Å; F56-L103 HydrophobicContact CG-CB 4.36Å; F56-L103 HydrophobicContact CG-CD1 3.48Å; F56-L103 VanDerWaalsContact CG-CD1 3.48Å; F56-L103 HydrophobicContact CZ-CB 3.73Å
57S82.3Confident79.9Confident34 Ų3475 Ų7524%0.23838%0.382CS..EExtended strand (participates in β ladder)trans-146.8150.4-179.756.30000110.9T77 R79S57-T77 PolarHBondContact N-O 2.73Å; S57-T77 PolarHBondContact O-N 3.46Å; S57-T77 PolarHBondContact OG-O 3.29Å; S57-R79 PolarHBondContact OG-NH1 2.99Å
58S83Confident79.8Confident25 Ų2575.6 Ų75.618%0.17539%0.386CS..EExtended strand (participates in β ladder)trans-126.1145.5170.6-170.60000110.1M50 H60 P75M50-S58 PolarHBondContact SD-N 3.09Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact OG-N 3.27Å; S58-P75 WeakPolarHBondContact CA-O 3.37Å; S58-P75 WeakPolarHBondContact CB-O 3.27Å; S58-P75 PolarHBondContact OG-O 3.41Å
59V76.6Confident79.6Confident128 Ų12878 Ų7878%0.77641%0.412SS*.SBendtrans-85.3-6.7173.8-82.80000112.7P75V59-P75 HydrophobicContact CG2-CG 3.9Å
60H76.9Confident79.5Confident79 Ų7975.5 Ų75.537%0.36640%0.401SS..SBendtrans-79.1149179.3-111.517.3000112.4F48 S58 L74F48-H60 HydrophobicContact CZ-CB 4.42Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact OG-N 3.27Å; H60-L74 HydrophobicContact CB-CD2 3.66Å; H60-L74 HydrophobicContact CB-CG 4.31Å
61K75.7Confident79.4Confident176 Ų17676.5 Ų76.577%0.76541%0.41SS*.  trans-67135.1179.1-68.5-177.2179.5179.90110.2F48 K63F48-K61 WeakPolarHBondContact CE1-O 3.48Å; K61-K63 PolarHBondContact O-N 3.36Å
62N76.9Confident79.6Confident85 Ų8577 Ų7746%0.45541%0.412SS..SBendtrans-63.1-11.7-176.7-59.630.5000114.7T47 F48T47-N62 CarbonylContact C-O 3.6Å; T47-N62 WeakPolarHBondContact CA-O 3.47Å; T47-N62 WeakPolarHBondContact CB-O 3.22Å; F48-N62 PolarHBondContact N-O 2.68Å
63K79.7Confident79.9Confident162 Ų16268.5 Ų68.570%0.70438%0.383SS*.EExtended strand (participates in β ladder)trans-129.6130.3174.3-50.9-163.9176179.30110F46 T47 K61F46-K63 CarbonylContact O-C 3.56Å; F46-K63 VanDerWaalsContact O-CA 3.26Å; F46-K63 WeakPolarHBondContact O-CA 3.47Å; T47-K63 HydrophobicContact CG2-CB 4.11Å; T47-K63 HydrophobicContact CG2-CD 3.8Å; T47-K63 HydrophobicContact CG2-CG 3.56Å; K61-K63 PolarHBondContact O-N 3.36Å
64F78.7Confident80.5Confident32 Ų3266 Ų6614%0.1437%0.365CS..EExtended strand (participates in β ladder)trans-150.8157.117653-97000111.5F46 F48 M66 I72 L74F46-F64 HydrophobicContact CB-CD2 3.77Å; F46-F64 HydrophobicContact CB-CE1 4.36Å; F46-F64 HydrophobicContact CB-CE2 3.42Å; F46-F64 VanDerWaalsContact CB-CE2 3.42Å; F46-F64 HydrophobicContact CB-CG 4.38Å; F46-F64 HydrophobicContact CB-CZ 3.75Å; F46-F64 AromaticContact CD2-CD2 3.8Å; F46-F64 HydrophobicContact CD2-CD2 3.8Å; F46-F64 AromaticContact CD2-CE2 3.59Å; F46-F64 HydrophobicContact CD2-CE2 3.59Å; F46-F64 HydrophobicContact CG-CD2 4.16Å; F46-F64 AromaticContact CG-CE2 3.69Å; F46-F64 HydrophobicContact CG-CE2 3.69Å; F46-F64 HydrophobicContact CG-CZ 4.34Å; F46-F64 PolarHBondContact N-O 2.92Å; F46-F64 PolarHBondContact O-N 3.11Å; F48-F64 HydrophobicContact CD1-CD1 4.43Å; F48-F64 AromaticContact CD1-CE1 3.64Å; F48-F64 HydrophobicContact CD1-CE1 3.64Å; F48-F64 HydrophobicContact CE1-CD1 4.32Å; F48-F64 AromaticContact CE1-CE1 3.77Å; F48-F64 HydrophobicContact CE1-CE1 3.77Å; F64-M66 HydrophobicContact CD2-CG 3.95Å; F64-M66 HydrophobicContact CD2-SD 4.41Å; F64-M66 HydrophobicContact CE2-CG 4.02Å; F64-M66 HydrophobicContact CE2-SD 3.86Å; F64-I72 HydrophobicContact CB-CD1 4.43Å; F64-I72 HydrophobicContact CD2-CD1 3.29Å; F64-I72 HydrophobicContact CE2-CD1 3.63Å; F64-I72 HydrophobicContact CG-CD1 3.98Å; F64-L74 HydrophobicContact CE1-CD1 3.81Å; F64-L74 HydrophobicContact CZ-CD1 3.73Å
65R81Confident81Confident170 Ų17064.8 Ų64.864%0.64235%0.347SS*.EExtended strand (participates in β ladder)trans-109.4126.9176.9-177.4174.3176-160-3.4108.7H44 N45H44-R65 CarbonylContact O-C 3.55Å; H44-R65 WeakPolarHBondContact O-CA 3.34Å; N45-R65 VanDerWaalsContact OD1-CB 3.27Å; N45-R65 WeakPolarHBondContact OD1-CB 3.29Å; N45-R65 WeakPolarHBondContact OD1-CD 3.49Å; N45-R65 WeakPolarHBondContact OD1-CG 3.36Å
66M80.4Confident81.3Confident1 Ų163.3 Ų63.31%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-105.9123.5172.5-56.7171.162.500110.2L36 N38 S43 H44 F46 F64 T70 I72L36-M66 HydrophobicContact CB-CE 4.32Å; L36-M66 HydrophobicContact CB-SD 4.26Å; L36-M66 WeakPolarHBondContact O-CE 3.32Å; N38-M66 HydrophobicContact CB-CB 3.95Å; N38-M66 HydrophobicContact CB-CE 3.77Å; N38-M66 PolarHBondContact ND2-O 2.92Å; S43-M66 CarbonylContact C-O 3.58Å; S43-M66 VanDerWaalsContact CA-O 3.23Å; S43-M66 WeakPolarHBondContact CA-O 3.24Å; H44-M66 PolarHBondContact N-O 3.02Å; H44-M66 PolarHBondContact O-N 3.37Å; F46-M66 HydrophobicContact CD2-CB 4.16Å; F46-M66 HydrophobicContact CD2-CG 3.62Å; F46-M66 HydrophobicContact CD2-SD 3.68Å; F46-M66 HydrophobicContact CE2-CB 3.63Å; F46-M66 HydrophobicContact CE2-CG 3.52Å; F46-M66 HydrophobicContact CE2-SD 3.47Å; F46-M66 WeakPolarHBondContact CE2-SD 3.47Å; F46-M66 HydrophobicContact CZ-SD 4.22Å; F64-M66 HydrophobicContact CD2-CG 3.95Å; F64-M66 HydrophobicContact CD2-SD 4.41Å; F64-M66 HydrophobicContact CE2-CG 4.02Å; F64-M66 HydrophobicContact CE2-SD 3.86Å; M66-T70 WeakPolarHBondContact CE-O 3.45Å; M66-I72 HydrophobicContact CE-CB 4.25Å; M66-I72 HydrophobicContact CE-CG1 4.11Å; M66-I72 HydrophobicContact CG-CD1 3.32Å; M66-I72 HydrophobicContact CG-CG1 3.88Å; M66-I72 HydrophobicContact SD-CB 4.31Å; M66-I72 HydrophobicContact SD-CD1 3.95Å; M66-I72 HydrophobicContact SD-CG1 4.13Å
67S83.2Confident81.3Confident59 Ų5963.7 Ų63.741%0.41334%0.341SS..  trans-69.4156.6168.4-60.90000110.8N38 G69 T70N38-S67 PolarHBondContact ND2-O 2.7Å; S67-G69 PolarHBondContact O-N 3.27Å; S67-T70 PolarHBondContact N-OG1 2.85Å; S67-T70 PolarHBondContact O-N 2.86Å; S67-T70 VanDerWaalsContact O-N 3.16Å; S67-T70 PolarHBondContact O-OG1 3.33Å
68P80.7Confident81.5Confident55 Ų5562.1 Ų62.136%0.35733%0.33SS..THydrogen-bonded Turntrans-46.4133.7169.7-32.439.9000112.6D40 R41 T70D40-P68 WeakPolarHBondContact O-CA 3.35Å; D40-P68 WeakPolarHBondContact O-CB 3.37Å; R41-P68 WeakPolarHBondContact O-CG 3.15Å; P68-T70 PolarHBondContact O-N 3.48Å
69G78.2Confident81.6Confident54 Ų5466.4 Ų66.456%0.55734%0.342SS*.THydrogen-bonded Turntrans73.73.1178.100000115.6N38 S67N38-G69 WeakPolarHBondContact O-CA 3.39Å; N38-G69 PolarHBondContact O-N 2.8Å; S67-G69 PolarHBondContact O-N 3.27Å
70T82.5Confident81.7Confident56 Ų5660.5 Ų60.534%0.34431%0.306SS..  trans-87.2142.5176.1570000111.6N38 M66 S67 P68N38-T70 PolarHBondContact N-O 2.77Å; M66-T70 WeakPolarHBondContact CE-O 3.45Å; S67-T70 PolarHBondContact N-OG1 2.85Å; S67-T70 PolarHBondContact O-N 2.86Å; S67-T70 VanDerWaalsContact O-N 3.16Å; S67-T70 PolarHBondContact O-OG1 3.33Å; P68-T70 PolarHBondContact O-N 3.48Å
71T83.1Confident81.6Confident68 Ų6862.5 Ų62.542%0.41732%0.324SS..EExtended strand (participates in β ladder)trans-108.9132.2170.6-55.90000109R35 L36 H37R35-T71 HydrophobicContact CB-CG2 4.4Å; L36-T71 CarbonylContact O-C 3.53Å; L36-T71 VanDerWaalsContact O-CA 3.28Å; L36-T71 WeakPolarHBondContact O-CA 3.23Å; L36-T71 WeakPolarHBondContact O-CG2 3.48Å; H37-T71 HydrophobicContact CB-CG2 4.37Å; H37-T71 PolarHBondContact CD2-OG1 2.91Å
72I83.2Confident81.4Confident29 Ų2961.1 Ų61.115%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-108.1132.4171-71.1-175.3000108.8R35 L36 F64 M66 L74R35-I72 WeakPolarHBondContact CA-O 3.19Å; L36-I72 PolarHBondContact N-O 3.23Å; L36-I72 PolarHBondContact O-N 3.43Å; F64-I72 HydrophobicContact CB-CD1 4.43Å; F64-I72 HydrophobicContact CD2-CD1 3.29Å; F64-I72 HydrophobicContact CE2-CD1 3.63Å; F64-I72 HydrophobicContact CG-CD1 3.98Å; M66-I72 HydrophobicContact CE-CB 4.25Å; M66-I72 HydrophobicContact CE-CG1 4.11Å; M66-I72 HydrophobicContact CG-CD1 3.32Å; M66-I72 HydrophobicContact CG-CG1 3.88Å; M66-I72 HydrophobicContact SD-CB 4.31Å; M66-I72 HydrophobicContact SD-CD1 3.95Å; M66-I72 HydrophobicContact SD-CG1 4.13Å; I72-L74 HydrophobicContact CG2-CD1 4.36Å; I72-L74 HydrophobicContact CG2-CG 4.44Å
73E82.3Confident81.2Confident82 Ų8262.4 Ų62.438%0.38333%0.325SS..EExtended strand (participates in β ladder)trans-102.3110.3175-63.6-156.7145.700109.1I33 R35 P75I33-E73 HydrophobicContact CG2-CB 3.6Å; I33-E73 HydrophobicContact CG2-CG 4.11Å; R35-E73 HydrophobicContact CG-CG 4.19Å; R35-E73 IonicContact CZ-OE1 2.56Å; R35-E73 IonicContact NE-OE1 2.77Å; R35-E73 PolarHBondContact NE-OE1 2.79Å; R35-E73 IonicContact NH2-OE1 2.88Å; R35-E73 PolarHBondContact NH2-OE1 2.77Å; E73-P75 WeakPolarHBondContact O-CD 3.37Å
74L85Confident80.7Confident0 Ų058.9 Ų58.90%031%0.312CS..EExtended strand (participates in β ladder)trans-98.399-179.1-107.4147.3000110L34 L36 F48 H60 F64 I72 I76 M90 F92L34-L74 HydrophobicContact CB-CB 4.07Å; L34-L74 WeakPolarHBondContact CB-O 3.35Å; L34-L74 PolarHBondContact N-O 3.25Å; L34-L74 WeakPolarHBondContact O-CB 3.19Å; L34-L74 PolarHBondContact O-N 2.6Å; L36-L74 HydrophobicContact CD1-CB 4.31Å; L36-L74 HydrophobicContact CD1-CD1 3.24Å; L36-L74 HydrophobicContact CD1-CG 4.34Å; F48-L74 HydrophobicContact CD1-CD1 4.38Å; F48-L74 HydrophobicContact CD1-CD2 4.28Å; F48-L74 HydrophobicContact CE1-CD1 4.32Å; F48-L74 HydrophobicContact CE1-CD2 3.59Å; F48-L74 HydrophobicContact CE2-CD2 4.15Å; F48-L74 HydrophobicContact CZ-CD2 3.5Å; H60-L74 HydrophobicContact CB-CD2 3.66Å; H60-L74 HydrophobicContact CB-CG 4.31Å; F64-L74 HydrophobicContact CE1-CD1 3.81Å; F64-L74 HydrophobicContact CZ-CD1 3.73Å; I72-L74 HydrophobicContact CG2-CD1 4.36Å; I72-L74 HydrophobicContact CG2-CG 4.44Å; L74-I76 PolarHBondContact O-N 3.19Å; L74-M90 HydrophobicContact CD2-CE 4.43Å; L74-F92 HydrophobicContact CD1-CE1 3.85Å; L74-F92 HydrophobicContact CD1-CZ 4.23Å
75P84.9Confident80.3Confident31 Ų3163 Ų6320%0.20133%0.332CS..EExtended strand (participates in β ladder)trans-70.8119175.727.6-33.1000110.1T31 K32 S58 V59 E73T31-P75 HydrophobicContact CG2-CB 3.76Å; K32-P75 CarbonylContact O-C 3.58Å; K32-P75 WeakPolarHBondContact O-CA 3.37Å; S58-P75 WeakPolarHBondContact CA-O 3.37Å; S58-P75 WeakPolarHBondContact CB-O 3.27Å; S58-P75 PolarHBondContact OG-O 3.41Å; V59-P75 HydrophobicContact CG2-CG 3.9Å; E73-P75 WeakPolarHBondContact O-CD 3.37Å
76I87.4Confident80.2Confident0 Ų056.4 Ų56.40%031%0.308CS..EExtended strand (participates in β ladder)trans-103.9120.6172.2-55-176.4000108I19 W21 T31 K32 L34 F56 L74 M90 L103I19-I76 HydrophobicContact CD1-CD1 3.8Å; W21-I76 HydrophobicContact CH2-CB 4.32Å; W21-I76 HydrophobicContact CH2-CG2 3.81Å; W21-I76 HydrophobicContact CZ2-CB 4.48Å; W21-I76 HydrophobicContact CZ2-CG2 4.23Å; T31-I76 CarbonylContact C-O 3.56Å; T31-I76 WeakPolarHBondContact CA-O 3.2Å; K32-I76 PolarHBondContact N-O 3.27Å; K32-I76 PolarHBondContact O-N 2.86Å; L34-I76 HydrophobicContact CB-CD1 4.16Å; L34-I76 HydrophobicContact CB-CG1 4.46Å; L34-I76 HydrophobicContact CD2-CD1 3.96Å; F56-I76 HydrophobicContact CB-CG2 4.3Å; F56-I76 HydrophobicContact CD1-CG2 4.42Å; L74-I76 PolarHBondContact O-N 3.19Å; I76-M90 HydrophobicContact CD1-CE 4.36Å; I76-M90 HydrophobicContact CD1-SD 3.48Å; I76-M90 WeakPolarHBondContact CD1-SD 3.34Å; I76-M90 HydrophobicContact CG1-SD 4.44Å; I76-L103 HydrophobicContact CD1-CD2 3.98Å; I76-L103 HydrophobicContact CG2-CD1 4.18Å
77T85.6Confident80.4Confident12 Ų1260.2 Ų60.27%0.07433%0.334CS..EExtended strand (participates in β ladder)trans-105.8121.5179.4-52.10000110.1K29 Y30 T31 F56 S57 R79K29-T77 HydrophobicContact CB-CG2 4.21Å; Y30-T77 CarbonylContact O-C 3.52Å; Y30-T77 WeakPolarHBondContact O-CA 3.48Å; T31-T77 WeakPolarHBondContact OG1-CG2 3.27Å; T31-T77 PolarHBondContact OG1-OG1 3.2Å; F56-T77 CarbonylContact C-O 3.5Å; F56-T77 WeakPolarHBondContact CA-O 3.41Å; S57-T77 PolarHBondContact N-O 2.73Å; S57-T77 PolarHBondContact O-N 3.46Å; S57-T77 PolarHBondContact OG-O 3.29Å; T77-R79 HydrophobicContact CG2-CG 4.12Å
78F87Confident80.4Confident1 Ų159.4 Ų59.40%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-94.1124172.2175.7-126.4000109.9W21 W24 Y30 V55 F56 P80 L86 A105W21-F78 HydrophobicContact CB-CD1 4.08Å; W21-F78 HydrophobicContact CB-CE1 4.37Å; W21-F78 HydrophobicContact CD2-CB 3.93Å; W21-F78 HydrophobicContact CD2-CD1 4.24Å; W21-F78 HydrophobicContact CD2-CG 4.25Å; W21-F78 HydrophobicContact CE3-CB 4.44Å; W21-F78 HydrophobicContact CG-CB 4.3Å; W21-F78 AromaticContact CG-CD1 3.9Å; W21-F78 HydrophobicContact CG-CD1 3.9Å; W21-F78 HydrophobicContact CG-CG 4.37Å; W21-F78 HydrophobicContact CH2-CB 4.44Å; W21-F78 HydrophobicContact CZ2-CB 3.91Å; W24-F78 HydrophobicContact CB-CD1 4.48Å; W24-F78 HydrophobicContact CB-CE1 4Å; W24-F78 AromaticContact CD1-CE1 3.91Å; W24-F78 AromaticContact CD2-CE1 3.59Å; W24-F78 HydrophobicContact CD2-CE1 3.59Å; W24-F78 HydrophobicContact CD2-CZ 4.03Å; W24-F78 AromaticContact CE2-CE1 3.89Å; W24-F78 AromaticContact CE2-CZ 3.99Å; W24-F78 HydrophobicContact CE3-CE1 4.07Å; W24-F78 HydrophobicContact CE3-CZ 4.31Å; W24-F78 HydrophobicContact CG-CD1 4.44Å; W24-F78 AromaticContact CG-CE1 3.57Å; W24-F78 HydrophobicContact CG-CE1 3.57Å; W24-F78 HydrophobicContact CG-CZ 4.43Å; W24-F78 HydrophobicContact CH2-CZ 4.29Å; W24-F78 HydrophobicContact CZ2-CE1 4.45Å; W24-F78 HydrophobicContact CZ2-CZ 4.11Å; W24-F78 HydrophobicContact CZ3-CZ 4.45Å; Y30-F78 HydrophobicContact CD2-CD1 4.23Å; Y30-F78 PolarHBondContact N-O 3.35Å; Y30-F78 PolarHBondContact O-N 3.02Å; V55-F78 HydrophobicContact CG1-CD2 3.67Å; V55-F78 HydrophobicContact CG1-CE2 3.44Å; V55-F78 VanDerWaalsContact CG1-CE2 3.44Å; V55-F78 WeakPolarHBondContact O-CA 3.29Å; F56-F78 HydrophobicContact CD1-CB 3.86Å; F56-F78 AromaticContact CD1-CD2 3.64Å; F56-F78 HydrophobicContact CD1-CD2 3.64Å; F56-F78 HydrophobicContact CD1-CG 4.14Å; F56-F78 HydrophobicContact CE1-CB 3.83Å; F56-F78 AromaticContact CE1-CD2 3.16Å; F56-F78 HydrophobicContact CE1-CD2 3.16Å; F56-F78 AromaticContact CE1-CE2 3.85Å; F56-F78 HydrophobicContact CE1-CE2 3.85Å; F56-F78 AromaticContact CE1-CG 3.7Å; F56-F78 HydrophobicContact CE1-CG 3.7Å; F56-F78 HydrophobicContact CE2-CD2 4.48Å; F56-F78 HydrophobicContact CG-CD2 4.47Å; F56-F78 AromaticContact CZ-CD2 3.66Å; F56-F78 HydrophobicContact CZ-CD2 3.66Å; F56-F78 AromaticContact CZ-CE2 3.86Å; F56-F78 HydrophobicContact CZ-CE2 3.86Å; F78-P80 HydrophobicContact CD1-CG 4.05Å; F78-P80 HydrophobicContact CE1-CB 3.88Å; F78-P80 HydrophobicContact CE1-CG 3.54Å; F78-P80 HydrophobicContact CE2-CB 4.14Å; F78-P80 HydrophobicContact CE2-CG 4.49Å; F78-P80 HydrophobicContact CZ-CB 3.58Å; F78-P80 HydrophobicContact CZ-CG 3.8Å; F78-L86 HydrophobicContact CE2-CD2 4.25Å; F78-A105 HydrophobicContact CE1-CB 3.94Å; F78-A105 HydrophobicContact CE2-CB 4.17Å; F78-A105 HydrophobicContact CZ-CB 3.54Å
79R84.8Confident80.6Confident115 Ų11561.9 Ų61.943%0.43433%0.331SS..  trans-124.376.9179.3-68.3-171.4-17978.1-0.9111.1K29 V55 S57 T77K29-R79 HydrophobicContact CB-CG 3.98Å; V55-R79 PolarHBondContact O-N 2.8Å; S57-R79 PolarHBondContact OG-NH1 2.99Å; T77-R79 HydrophobicContact CG2-CG 4.12Å
80P79.3Confident80.9Confident4 Ų459.3 Ų59.33%0.02631%0.305CS..  trans-68.4135.8-179.725.8-32.1000112W24 P26 G27 Y30 F78W24-P80 HydrophobicContact CD2-CB 4.33Å; W24-P80 HydrophobicContact CD2-CG 4.11Å; W24-P80 HydrophobicContact CE3-CB 3.42Å; W24-P80 VanDerWaalsContact CE3-CB 3.42Å; W24-P80 HydrophobicContact CE3-CG 3.35Å; W24-P80 HydrophobicContact CH2-CB 3.99Å; W24-P80 HydrophobicContact CZ3-CB 3.23Å; W24-P80 HydrophobicContact CZ3-CG 3.77Å; P26-P80 CarbonylContact C-O 3.57Å; P26-P80 WeakPolarHBondContact CA-O 3.45Å; G27-P80 PolarHBondContact N-O 2.64Å; Y30-P80 HydrophobicContact CE2-CG 4.42Å; F78-P80 HydrophobicContact CD1-CG 4.05Å; F78-P80 HydrophobicContact CE1-CB 3.88Å; F78-P80 HydrophobicContact CE1-CG 3.54Å; F78-P80 HydrophobicContact CE2-CB 4.14Å; F78-P80 HydrophobicContact CE2-CG 4.49Å; F78-P80 HydrophobicContact CZ-CB 3.58Å; F78-P80 HydrophobicContact CZ-CG 3.8Å
81T75.2Confident80.9Confident121 Ų12159 Ų5974%0.74230%0.303SS*.SBendtrans-104.2-16.4172.950.40000113.3
82K71.1Confident80.9Confident147 Ų14755.8 Ų55.864%0.63928%0.283SS*.SBendtrans-140.1147.4176.8-79.7-177.7176.5178.20110.4W24 M84W24-K82 VanDerWaalsContact CH2-O 3.25Å; W24-K82 WeakPolarHBondContact CH2-O 3.45Å; W24-K82 VanDerWaalsContact CZ3-O 3.26Å; W24-K82 WeakPolarHBondContact CZ3-O 3.48Å; K82-M84 HydrophobicContact CB-CE 3.99Å; K82-M84 PolarHBondContact O-N 3.1Å
83L71.3Confident80.8Confident112 Ų11257.1 Ų57.159%0.58629%0.29SS*.  trans-70106.4169.5-87.4141.8000108.6P26 L107P26-L83 HydrophobicContact CG-CB 4.18Å; P26-L83 HydrophobicContact CG-CD1 3.86Å; P26-L83 HydrophobicContact CG-CG 3.55Å; L83-L107 HydrophobicContact CD2-CD2 3.46Å; L83-L107 VanDerWaalsContact CD2-CD2 3.46Å
84M69.3Low80.5Confident88 Ų8853.3 Ų53.343%0.43327%0.272SS..  trans-154.3147173.975.4177.271.300108.7W24 K82 L86W24-M84 WeakPolarHBondContact CH2-O 3.48Å; W24-M84 WeakPolarHBondContact CZ2-O 3.48Å; K82-M84 HydrophobicContact CB-CE 3.99Å; K82-M84 PolarHBondContact O-N 3.1Å; M84-L86 HydrophobicContact CG-CD1 4.22Å; M84-L86 PolarHBondContact O-N 2.94Å; M84-L86 HydrophobicContact SD-CD1 3.68Å
85E71.9Confident79.7Confident119 Ų11955.8 Ų55.856%0.55629%0.29SS*.  trans-70.8131.7167.5-63.6-172.5148.600109.6A105 L107E85-A105 VanDerWaalsContact CA-O 3.27Å; E85-A105 WeakPolarHBondContact CA-O 3.48Å; E85-L107 HydrophobicContact CG-CB 4.01Å; E85-L107 HydrophobicContact CG-CD1 4.04Å; E85-L107 HydrophobicContact CG-CG 3.85Å; E85-L107 PolarHBondContact OE1-N 3.22Å; E85-L107 VanDerWaalsContact OE1-N 3.13Å
86L77.7Confident78.9Confident30 Ų3057.6 Ų57.616%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-130.7130.6-175.4-157.180.3000109.2V55 F56 F78 M84 E88 K104 A105V55-L86 HydrophobicContact CB-CD2 4.11Å; V55-L86 HydrophobicContact CG1-CD2 4.15Å; V55-L86 HydrophobicContact CG2-CD2 4.24Å; F56-L86 HydrophobicContact CD2-CD2 4.48Å; F56-L86 HydrophobicContact CE2-CD2 3.59Å; F56-L86 HydrophobicContact CE2-CG 4.48Å; F56-L86 HydrophobicContact CZ-CD2 4Å; F78-L86 HydrophobicContact CE2-CD2 4.25Å; M84-L86 HydrophobicContact CG-CD1 4.22Å; M84-L86 PolarHBondContact O-N 2.94Å; M84-L86 HydrophobicContact SD-CD1 3.68Å; L86-E88 HydrophobicContact CD2-CG 4.47Å; L86-E88 HydrophobicContact CG-CG 4.32Å; L86-K104 CarbonylContact O-C 3.53Å; L86-K104 WeakPolarHBondContact O-CA 3.42Å; L86-A105 HydrophobicContact CB-CB 4.1Å; L86-A105 PolarHBondContact N-O 3.25Å; L86-A105 PolarHBondContact O-N 3Å
87C84Confident78.1Confident81 Ų8163.6 Ų63.655%0.54734%0.34SS..EExtended strand (participates in β ladder)trans-135.5112.4175.9-174.70000108.7T102 L103 K104C87-T102 VanDerWaalsContact SG-CG2 3.53Å; C87-L103 CarbonylContact C-O 3.5Å; C87-L103 VanDerWaalsContact CA-O 3.32Å; C87-L103 WeakPolarHBondContact CA-O 3.11Å; C87-K104 HydrophobicContact CB-CG 4.17Å; C87-K104 VanDerWaalsContact SG-CG 3.57Å
88E84.5Confident77.8Confident42 Ų4268.2 Ų68.220%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-131.9163.7-178.1-64.4-171.2166.700111.3P51 S53 F56 L86 T102 L103P51-E88 HydrophobicContact CB-CB 4.12Å; P51-E88 WeakPolarHBondContact CB-OE2 3.36Å; P51-E88 HydrophobicContact CG-CB 4.12Å; S53-E88 WeakPolarHBondContact CB-OE1 3.37Å; S53-E88 WeakPolarHBondContact CB-OE2 3.27Å; S53-E88 PolarHBondContact OG-OE1 3.03Å; S53-E88 PolarHBondContact OG-OE2 3.06Å; F56-E88 HydrophobicContact CD2-CB 4.36Å; F56-E88 WeakPolarHBondContact CD2-OE2 3.47Å; F56-E88 HydrophobicContact CE2-CB 4.07Å; F56-E88 HydrophobicContact CE2-CG 4.21Å; L86-E88 HydrophobicContact CD2-CG 4.47Å; L86-E88 HydrophobicContact CG-CG 4.32Å; E88-T102 CarbonylContact O-C 3.59Å; E88-T102 WeakPolarHBondContact O-CA 3.3Å; E88-L103 PolarHBondContact N-O 2.86Å; E88-L103 PolarHBondContact O-N 3.4Å
89E84.6Confident77.5Confident108 Ų10868.9 Ų68.951%0.50537%0.373SS..EExtended strand (participates in β ladder)trans-119.4133.6-178.7-68.6-174.5-175.500111.9N100 V101E89-N100 HydrophobicContact CB-CB 4.32Å; E89-N100 PolarHBondContact OE2-ND2 2.83Å; E89-V101 WeakPolarHBondContact CA-O 3.43Å
90M84.7Confident77.5Confident0 Ų066.9 Ų66.90%037%0.371CS..EExtended strand (participates in β ladder)trans-101.3118.6173.1175.2-172-17500109.2L34 F48 L49 M50 L74 I76 F92 N100 V101 L103L34-M90 HydrophobicContact CD2-SD 4.24Å; F48-M90 HydrophobicContact CB-CE 3.98Å; F48-M90 HydrophobicContact CD1-CE 4.47Å; F48-M90 HydrophobicContact CD2-CE 3.08Å; F48-M90 HydrophobicContact CE2-CE 3.59Å; F48-M90 HydrophobicContact CG-CE 3.6Å; F48-M90 HydrophobicContact CZ-CE 4.45Å; L49-M90 WeakPolarHBondContact O-CG 3.43Å; M50-M90 HydrophobicContact CE-CB 4.1Å; M50-M90 HydrophobicContact CE-CE 3.26Å; M50-M90 HydrophobicContact CE-CG 3.36Å; M50-M90 HydrophobicContact CE-SD 3.17Å; M50-M90 WeakPolarHBondContact CE-SD 3.45Å; L74-M90 HydrophobicContact CD2-CE 4.43Å; I76-M90 HydrophobicContact CD1-CE 4.36Å; I76-M90 HydrophobicContact CD1-SD 3.48Å; I76-M90 WeakPolarHBondContact CD1-SD 3.34Å; I76-M90 HydrophobicContact CG1-SD 4.44Å; M90-F92 HydrophobicContact CE-CE1 3.92Å; M90-F92 HydrophobicContact CE-CE2 3.59Å; M90-F92 HydrophobicContact CE-CZ 3.17Å; M90-F92 HydrophobicContact CG-CD2 4.32Å; M90-F92 HydrophobicContact CG-CE2 3.78Å; M90-F92 HydrophobicContact CG-CZ 4.39Å; M90-F92 HydrophobicContact SD-CE2 3.45Å; M90-F92 WeakPolarHBondContact SD-CE2 3.49Å; M90-F92 HydrophobicContact SD-CZ 3.65Å; M90-N100 CarbonylContact O-C 3.54Å; M90-N100 WeakPolarHBondContact O-CA 3.47Å; M90-V101 HydrophobicContact CB-CB 4.46Å; M90-V101 PolarHBondContact N-O 2.7Å; M90-V101 PolarHBondContact O-N 3.44Å; M90-L103 HydrophobicContact CB-CD1 4.38Å
91T83Confident77.8Confident50 Ų5066.7 Ų66.731%0.30737%0.369SS..EExtended strand (participates in β ladder)trans-92.1130.2-177.856.40000111.5F48 L49 T99 N100F48-T91 CarbonylContact C-O 3.52Å; F48-T91 VanDerWaalsContact CA-O 3.3Å; F48-T91 WeakPolarHBondContact CA-O 3.5Å; L49-T91 PolarHBondContact N-O 3.21Å; L49-T91 PolarHBondContact O-N 2.82Å; T91-T99 CarbonylContact C-O 3.59Å; T91-T99 WeakPolarHBondContact CA-O 3.39Å; T91-N100 WeakPolarHBondContact CG2-OD1 3.46Å
92F83Confident78.2Confident0 Ų062.3 Ų62.30%034%0.343CS..EExtended strand (participates in β ladder)trans-112.7124.5173.7-75.5-93.5000110.2L15 L34 L36 T47 F48 L74 M90 L94 T98 T99 V101L15-F92 HydrophobicContact CD2-CD2 4.48Å; L34-F92 HydrophobicContact CD2-CE2 3.66Å; L34-F92 HydrophobicContact CD2-CZ 3.46Å; L34-F92 VanDerWaalsContact CD2-CZ 3.46Å; L36-F92 HydrophobicContact CD1-CE1 3.94Å; L36-F92 HydrophobicContact CD1-CZ 4.29Å; L36-F92 HydrophobicContact CD2-CD1 4.09Å; L36-F92 HydrophobicContact CD2-CE1 3.97Å; T47-F92 CarbonylContact O-C 3.56Å; T47-F92 WeakPolarHBondContact O-CA 3.35Å; F48-F92 HydrophobicContact CB-CD1 3.52Å; F48-F92 HydrophobicContact CB-CE1 3.61Å; F48-F92 HydrophobicContact CB-CG 4.03Å; F48-F92 HydrophobicContact CB-CZ 4.21Å; F48-F92 HydrophobicContact CD1-CE1 4.33Å; F48-F92 HydrophobicContact CG-CD1 4.43Å; F48-F92 HydrophobicContact CG-CE1 4.07Å; L74-F92 HydrophobicContact CD1-CE1 3.85Å; L74-F92 HydrophobicContact CD1-CZ 4.23Å; M90-F92 HydrophobicContact CE-CE1 3.92Å; M90-F92 HydrophobicContact CE-CE2 3.59Å; M90-F92 HydrophobicContact CE-CZ 3.17Å; M90-F92 HydrophobicContact CG-CD2 4.32Å; M90-F92 HydrophobicContact CG-CE2 3.78Å; M90-F92 HydrophobicContact CG-CZ 4.39Å; M90-F92 HydrophobicContact SD-CE2 3.45Å; M90-F92 WeakPolarHBondContact SD-CE2 3.49Å; M90-F92 HydrophobicContact SD-CZ 3.65Å; F92-L94 HydrophobicContact CB-CD2 3.97Å; F92-L94 HydrophobicContact CB-CG 4.35Å; F92-L94 HydrophobicContact CD1-CD2 4.48Å; F92-T98 CarbonylContact O-C 3.48Å; F92-T98 WeakPolarHBondContact O-CA 3.27Å; F92-T99 PolarHBondContact N-O 2.83Å; F92-T99 PolarHBondContact O-N 2.94Å; F92-V101 HydrophobicContact CD2-CG2 3.82Å; F92-V101 HydrophobicContact CE2-CB 4.25Å; F92-V101 HydrophobicContact CE2-CG2 3.6Å
93D80.8Confident79Confident57 Ų5755.3 Ų55.331%0.30531%0.312SS..EExtended strand (participates in β ladder)trans-93.2108165.2178.89.7000109.5F46 T47 G96 T98F46-D93 WeakPolarHBondContact CA-O 3.35Å; T47-D93 PolarHBondContact N-O 2.78Å; T47-D93 PolarHBondContact O-N 3.45Å; T47-D93 WeakPolarHBondContact OG1-CB 3.23Å; D93-G96 PolarHBondContact OD1-N 3.38Å; D93-T98 HydrophobicContact CB-CG2 4.13Å
94L75.4Confident79.4Confident1 Ų153.2 Ų53.21%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-98.980.9179.1-50.5178.6000108.8I10 N11 I13 L36 F46 F92 G96 K97 T99I10-L94 HydrophobicContact CB-CD1 4.12Å; I10-L94 HydrophobicContact CG2-CD1 4.22Å; N11-L94 PolarHBondContact ND2-O 2.89Å; I13-L94 HydrophobicContact CD1-CB 4.01Å; I13-L94 HydrophobicContact CD1-CD1 4.03Å; I13-L94 HydrophobicContact CD1-CD2 4.28Å; I13-L94 HydrophobicContact CD1-CG 4.32Å; L36-L94 HydrophobicContact CD2-CD2 4.4Å; F46-L94 HydrophobicContact CD1-CB 4.04Å; F46-L94 HydrophobicContact CD1-CD2 3.23Å; F46-L94 HydrophobicContact CD1-CG 4.18Å; F46-L94 HydrophobicContact CE1-CB 3.8Å; F46-L94 HydrophobicContact CE1-CD2 3.49Å; F46-L94 VanDerWaalsContact CE1-CD2 3.49Å; F46-L94 HydrophobicContact CE1-CG 4.17Å; F46-L94 HydrophobicContact CG-CD2 4.32Å; F92-L94 HydrophobicContact CB-CD2 3.97Å; F92-L94 HydrophobicContact CB-CG 4.35Å; F92-L94 HydrophobicContact CD1-CD2 4.48Å; L94-G96 VanDerWaalsContact C-N 3.3Å; L94-G96 PolarHBondContact O-N 2.86Å; L94-K97 PolarHBondContact N-O 2.89Å; L94-K97 PolarHBondContact O-N 3.01Å; L94-T99 HydrophobicContact CD1-CG2 3.88Å; L94-T99 HydrophobicContact CG-CG2 4.46Å
95S67.3Low79.8Confident53 Ų5349 Ų4937%0.37128%0.278SS..THydrogen-bonded Turntrans50.244.8176.340.90000114.3H44 N45H44-S95 PolarHBondContact ND1-OG 3.22Å; N45-S95 PolarHBondContact O-N 3.14Å
96G69.7Low79.8Confident69 Ų6946.8 Ų46.871%0.71127%0.269SS*.THydrogen-bonded Turntrans108.9-10.5175.300000114.7D93 L94D93-G96 PolarHBondContact OD1-N 3.38Å; L94-G96 VanDerWaalsContact C-N 3.3Å; L94-G96 PolarHBondContact O-N 2.86Å
97K69.9Low79.5Confident125 Ų12548.5 Ų48.554%0.54328%0.278SS..EExtended strand (participates in β ladder)trans-111.8121.9170.3-82.1-174.1175.6177.80110.9L94L94-K97 PolarHBondContact N-O 2.89Å; L94-K97 PolarHBondContact O-N 3.01Å
98T79.3Confident78.5Confident109 Ų10949 Ų4967%0.66927%0.272SS*.EExtended strand (participates in β ladder)trans-84.1140.1174.6480000111.6F92 D93F92-T98 CarbonylContact O-C 3.48Å; F92-T98 WeakPolarHBondContact O-CA 3.27Å; D93-T98 HydrophobicContact CB-CG2 4.13Å
99T80.9Confident77.8Confident16 Ų1651 Ų5110%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-141.3144.6-179.867.20000109.2I10 T91 F92 L94I10-T99 HydrophobicContact CB-CG2 4.13Å; I10-T99 HydrophobicContact CD1-CG2 3.37Å; I10-T99 HydrophobicContact CG1-CG2 4.3Å; I10-T99 HydrophobicContact CG2-CG2 3.64Å; T91-T99 CarbonylContact C-O 3.59Å; T91-T99 WeakPolarHBondContact CA-O 3.39Å; F92-T99 PolarHBondContact N-O 2.83Å; F92-T99 PolarHBondContact O-N 2.94Å; L94-T99 HydrophobicContact CD1-CG2 3.88Å; L94-T99 HydrophobicContact CG-CG2 4.46Å
100N84.5Confident77.6Confident72 Ų7247.6 Ų47.639%0.38527%0.27SS..EExtended strand (participates in β ladder)trans-114.5139.1-175.9-64.1-2.2000110.8E89 M90 T91E89-N100 HydrophobicContact CB-CB 4.32Å; E89-N100 PolarHBondContact OE2-ND2 2.83Å; M90-N100 CarbonylContact O-C 3.54Å; M90-N100 WeakPolarHBondContact O-CA 3.47Å; T91-N100 WeakPolarHBondContact CG2-OD1 3.46Å
101V84.9Confident77.5Confident0 Ų052.1 Ų52.10%029%0.294CS..EExtended strand (participates in β ladder)trans-110.8124.4172.8179.60000108.7L15 N17 L34 E89 M90 F92 L103L15-V101 HydrophobicContact CD1-CG2 3.82Å; L15-V101 HydrophobicContact CD2-CG2 3.75Å; L15-V101 HydrophobicContact CG-CG2 4.07Å; N17-V101 CarbonylContact O-C 3.59Å; N17-V101 WeakPolarHBondContact O-CA 3.28Å; L34-V101 HydrophobicContact CD1-CG1 4.35Å; L34-V101 HydrophobicContact CD2-CG1 4.25Å; L34-V101 HydrophobicContact CD2-CG2 4.16Å; E89-V101 WeakPolarHBondContact CA-O 3.43Å; M90-V101 HydrophobicContact CB-CB 4.46Å; M90-V101 PolarHBondContact N-O 2.7Å; M90-V101 PolarHBondContact O-N 3.44Å; F92-V101 HydrophobicContact CD2-CG2 3.82Å; F92-V101 HydrophobicContact CE2-CB 4.25Å; F92-V101 HydrophobicContact CE2-CG2 3.6Å; V101-L103 HydrophobicContact CG1-CD2 4.43Å
102T85Confident77.6Confident30 Ų3050 Ų5018%0.18428%0.28CS..EExtended strand (participates in β ladder)trans-85.6128.3-176.5-45.10000110.7N17 E18 I19 C87 E88 K104N17-T102 PolarHBondContact O-N 3.09Å; E18-T102 CarbonylContact C-O 3.55Å; E18-T102 WeakPolarHBondContact CA-O 3.49Å; E18-T102 WeakPolarHBondContact CB-O 3.35Å; I19-T102 PolarHBondContact N-O 2.98Å; C87-T102 VanDerWaalsContact SG-CG2 3.53Å; E88-T102 CarbonylContact O-C 3.59Å; E88-T102 WeakPolarHBondContact O-CA 3.3Å; T102-K104 HydrophobicContact CG2-CG 4.15Å
103L86.7Confident77.8Confident0 Ų056.4 Ų56.40%031%0.308CS..EExtended strand (participates in β ladder)trans-108.3111.4178.5-56.1-176.9000108.5I19 W21 P51 F56 I76 C87 E88 M90 V101I19-L103 HydrophobicContact CB-CD2 3.97Å; I19-L103 HydrophobicContact CD1-CD2 4.19Å; I19-L103 HydrophobicContact CG1-CD2 4.48Å; I19-L103 WeakPolarHBondContact O-CA 3.2Å; W21-L103 HydrophobicContact CH2-CD2 4.06Å; W21-L103 HydrophobicContact CZ3-CB 4Å; W21-L103 HydrophobicContact CZ3-CD2 3.99Å; W21-L103 HydrophobicContact CZ3-CG 4.48Å; P51-L103 HydrophobicContact CG-CD1 4.16Å; F56-L103 HydrophobicContact CB-CD1 3.72Å; F56-L103 HydrophobicContact CD1-CB 4.22Å; F56-L103 HydrophobicContact CD1-CD1 3.79Å; F56-L103 HydrophobicContact CD2-CB 4.21Å; F56-L103 HydrophobicContact CD2-CD1 3.8Å; F56-L103 HydrophobicContact CE1-CB 3.91Å; F56-L103 HydrophobicContact CE1-CD1 4.34Å; F56-L103 HydrophobicContact CE2-CB 3.88Å; F56-L103 HydrophobicContact CE2-CD1 4.34Å; F56-L103 HydrophobicContact CG-CB 4.36Å; F56-L103 HydrophobicContact CG-CD1 3.48Å; F56-L103 VanDerWaalsContact CG-CD1 3.48Å; F56-L103 HydrophobicContact CZ-CB 3.73Å; I76-L103 HydrophobicContact CD1-CD2 3.98Å; I76-L103 HydrophobicContact CG2-CD1 4.18Å; C87-L103 CarbonylContact C-O 3.5Å; C87-L103 VanDerWaalsContact CA-O 3.32Å; C87-L103 WeakPolarHBondContact CA-O 3.11Å; E88-L103 PolarHBondContact N-O 2.86Å; E88-L103 PolarHBondContact O-N 3.4Å; M90-L103 HydrophobicContact CB-CD1 4.38Å; V101-L103 HydrophobicContact CG1-CD2 4.43Å
104K80.5Confident78.4Confident67 Ų6753.9 Ų53.929%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-115.3139.7-176.9-74.3173.5-173.5156.60112.2E18 I19 V20 W21 L86 C87 T102E18-K104 IonicContact OE2-NZ 2.74Å; E18-K104 PolarHBondContact OE2-NZ 2.83Å; I19-K104 PolarHBondContact O-N 2.99Å; V20-K104 CarbonylContact C-O 3.54Å; V20-K104 VanDerWaalsContact CA-O 3.32Å; V20-K104 WeakPolarHBondContact CA-O 3.32Å; V20-K104 HydrophobicContact CG1-CB 4.3Å; V20-K104 HydrophobicContact CG2-CB 4.25Å; W21-K104 PolarHBondContact N-O 2.79Å; L86-K104 CarbonylContact O-C 3.53Å; L86-K104 WeakPolarHBondContact O-CA 3.42Å; C87-K104 HydrophobicContact CB-CG 4.17Å; C87-K104 VanDerWaalsContact SG-CG 3.57Å; T102-K104 HydrophobicContact CG2-CG 4.15Å
105A77Confident79Confident1 Ų156 Ų561%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-128.5114.3172.400000107.9W24 F78 E85 L86W24-A105 HydrophobicContact CZ2-CB 3.92Å; F78-A105 HydrophobicContact CE1-CB 3.94Å; F78-A105 HydrophobicContact CE2-CB 4.17Å; F78-A105 HydrophobicContact CZ-CB 3.54Å; E85-A105 VanDerWaalsContact CA-O 3.27Å; E85-A105 WeakPolarHBondContact CA-O 3.48Å; L86-A105 HydrophobicContact CB-CB 4.1Å; L86-A105 PolarHBondContact N-O 3.25Å; L86-A105 PolarHBondContact O-N 3Å
106I72.8Confident79.9Confident72 Ų7261 Ų6137%0.36933%0.326SS..  trans-115.7146.9-170.443.5172.1000112.7V20 W21 E22V20-I106 HydrophobicContact CG1-CD1 3.76Å; V20-I106 HydrophobicContact CG1-CG1 3.87Å; W21-I106 PolarHBondContact O-N 2.87Å; E22-I106 HydrophobicContact CG-CD1 3.98Å; E22-I106 HydrophobicContact CG-CG1 4.15Å
107L70Confident80.8Confident65 Ų6562.3 Ų62.334%0.3432%0.317SS..  trans-104.2138.1178-67174.2000111L83 E85L83-L107 HydrophobicContact CD2-CD2 3.46Å; L83-L107 VanDerWaalsContact CD2-CD2 3.46Å; E85-L107 HydrophobicContact CG-CB 4.01Å; E85-L107 HydrophobicContact CG-CD1 4.04Å; E85-L107 HydrophobicContact CG-CG 3.85Å; E85-L107 PolarHBondContact OE1-N 3.22Å; E85-L107 VanDerWaalsContact OE1-N 3.13Å
108H64.6Low81.7Confident92 Ų9256.7 Ų56.743%0.42629%0.293SS..  trans-74132.6174.5-73.389.5000110.9L141H108-L141 HydrophobicContact CB-CD1 3.85Å; H108-L141 HydrophobicContact CB-CD2 4.49Å; H108-L141 HydrophobicContact CB-CG 4.25Å
109T69.4Low82.1Confident83 Ų8356.5 Ų56.551%0.50929%0.287SS..  trans-112.4150.817668.40000111.8T139T109-T139 WeakPolarHBondContact O-CG2 3.41Å
110Y79.5Confident82.5Confident37 Ų3756 Ų5615%0.14528%0.284CS..  trans-70.2136.2174.1-63.7-83000111.5L141 K142 D192 T195 K197Y110-L141 HydrophobicContact CD1-CB 3.9Å; Y110-L141 HydrophobicContact CD1-CD1 4.28Å; Y110-L141 HydrophobicContact CD2-CD1 4.48Å; Y110-L141 HydrophobicContact CE1-CB 3.54Å; Y110-L141 HydrophobicContact CE1-CD1 4.08Å; Y110-L141 HydrophobicContact CE1-CG 4.44Å; Y110-L141 HydrophobicContact CE2-CD1 4.24Å; Y110-L141 HydrophobicContact CG-CD1 4.48Å; Y110-K142 WeakPolarHBondContact CE1-O 3.25Å; Y110-D192 HydrophobicContact CE2-CB 4.39Å; Y110-T195 WeakPolarHBondContact CD2-OG1 3.34Å; Y110-T195 WeakPolarHBondContact CE2-OG1 3.38Å; Y110-K197 PolarHBondContact O-NZ 3.06Å; Y110-K197 VanDerWaalsContact O-NZ 3.12Å
111L82.3Confident82.5Confident96 Ų9653.2 Ų53.250%0.50327%0.273SS..  trans-146129.9176.6-172.370.7000111N137 M138 T139L111-N137 PolarHBondContact O-OD1 3.24Å; L111-M138 HydrophobicContact CB-CB 4.19Å; L111-M138 HydrophobicContact CD2-CB 3.88Å; L111-M138 HydrophobicContact CD2-CG 4.46Å; L111-M138 HydrophobicContact CG-CB 4.06Å; L111-M138 PolarHBondContact O-N 2.93Å; L111-T139 HydrophobicContact CB-CG2 3.57Å; L111-T139 VanDerWaalsContact N-CG2 3.34Å
112V86.7Confident82.3Confident4 Ų455.9 Ų55.92%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-126.2136.1177.2174.70000110.2L114 L135 K136 T143 L162 F190V112-L114 PolarHBondContact O-N 3.45Å; V112-L135 HydrophobicContact CG1-CD1 3.28Å; V112-L135 HydrophobicContact CG1-CD2 4.38Å; V112-L135 HydrophobicContact CG1-CG 3.62Å; V112-K136 CarbonylContact C-O 3.54Å; V112-K136 WeakPolarHBondContact CA-O 3.26Å; V112-T143 HydrophobicContact CG2-CG2 3.86Å; V112-L162 HydrophobicContact CG1-CD1 4.49Å; V112-F190 HydrophobicContact CB-CD1 4.15Å; V112-F190 HydrophobicContact CB-CD2 4.04Å; V112-F190 HydrophobicContact CB-CE1 4.3Å; V112-F190 HydrophobicContact CB-CE2 4.19Å; V112-F190 HydrophobicContact CB-CG 4.02Å; V112-F190 HydrophobicContact CB-CZ 4.31Å; V112-F190 HydrophobicContact CG2-CB 3.95Å; V112-F190 HydrophobicContact CG2-CD1 4.24Å; V112-F190 HydrophobicContact CG2-CD2 3.47Å; V112-F190 VanDerWaalsContact CG2-CD2 3.47Å; V112-F190 HydrophobicContact CG2-CE2 4Å; V112-F190 HydrophobicContact CG2-CG 3.61Å
113K87.6Confident82.2Confident135 Ų13554.7 Ų54.759%0.58728%0.283SS*.EExtended strand (participates in β ladder)trans-87.6105.3173.5-170.5174.5-177.2176.20109.4K136 M138K113-K136 HydrophobicContact CB-CB 4.35Å; K113-K136 PolarHBondContact N-O 2.89Å; K113-K136 PolarHBondContact O-N 2.83Å; K113-M138 HydrophobicContact CB-CG 3.93Å; K113-M138 HydrophobicContact CB-SD 4.08Å; K113-M138 HydrophobicContact CD-SD 4.43Å
114L91.4Very high81.8Confident5 Ų555 Ų553%0.02629%0.286CS..  trans-111.9139.6168.6-175.275.1000108.8V112 F133 L135 C188 K199 M201V112-L114 PolarHBondContact O-N 3.45Å; L114-F133 HydrophobicContact CD1-CD2 4.21Å; L114-F133 HydrophobicContact CD1-CE2 3.6Å; L114-F133 HydrophobicContact CD1-CZ 4.41Å; L114-L135 HydrophobicContact CB-CD1 4.11Å; L114-L135 HydrophobicContact CD1-CD1 3.67Å; L114-L135 HydrophobicContact CG-CD1 4.5Å; L114-C188 HydrophobicContact CD1-CB 4.46Å; L114-C188 HydrophobicContact CD2-CB 3.77Å; L114-K199 HydrophobicContact CB-CD 3.99Å; L114-K199 HydrophobicContact CB-CG 4.43Å; L114-K199 HydrophobicContact CD2-CB 4.36Å; L114-K199 HydrophobicContact CD2-CG 4.32Å; L114-K199 PolarHBondContact O-NZ 2.77Å; L114-M201 HydrophobicContact CD1-SD 4.34Å; L114-M201 HydrophobicContact CD2-CB 3.73Å; L114-M201 HydrophobicContact CG-CB 4.09Å; L114-M201 HydrophobicContact CG-SD 4.42Å
115P89.1Confident81.7Confident44 Ų4452.2 Ų52.229%0.28627%0.274SS..  trans-59.2156.8171.1-17.228.9000112.6F133 M201P115-F133 HydrophobicContact CG-CB 4.04Å; P115-F133 HydrophobicContact CG-CD2 4.16Å; P115-F133 HydrophobicContact CG-CG 4.42Å; P115-M201 HydrophobicContact CB-SD 3.97Å; P115-M201 HydrophobicContact CG-SD 4.14Å; P115-M201 VanDerWaalsContact O-CB 3.32Å; P115-M201 WeakPolarHBondContact O-CB 3.18Å; P115-M201 VanDerWaalsContact O-CG 3.3Å; P115-M201 WeakPolarHBondContact O-CG 3.03Å
116E85.3Confident81.6Confident159 Ų15956.6 Ų56.674%0.74330%0.297SS*.SBendtrans-88.8-35.8-177.8-66.7-178.9177.700113.1M201 D202E116-M201 WeakPolarHBondContact O-CA 3.5Å; E116-D202 PolarHBondContact O-N 2.77Å
117N89.1Confident81.9Confident96 Ų9655 Ų5551%0.51329%0.29SS..EExtended strand (participates in β ladder)trans-144141.3180-172.5-6.1000111.3D202N117-D202 CarbonylContact C-O 3.5Å; N117-D202 VanDerWaalsContact CA-O 3.22Å; N117-D202 WeakPolarHBondContact CA-O 3.42Å; N117-D202 PolarHBondContact OD1-O 2.84Å
118I89.8Confident82.6Confident8 Ų857.5 Ų57.54%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-122125.1164.6-64.3179.8000108.7F120 H131 F133 I172 M201 D202 V203 T204I118-F120 HydrophobicContact CG2-CD2 4.3Å; I118-F120 HydrophobicContact CG2-CE2 4.07Å; I118-H131 HydrophobicContact CG2-CB 4.2Å; I118-F133 HydrophobicContact CD1-CB 3.93Å; I118-F133 HydrophobicContact CD1-CD1 3.6Å; I118-F133 HydrophobicContact CD1-CE1 4.36Å; I118-F133 HydrophobicContact CD1-CG 3.93Å; I118-I172 HydrophobicContact CD1-CG2 4.12Å; I118-M201 HydrophobicContact CD1-CE 3.54Å; I118-M201 HydrophobicContact CD1-SD 3.5Å; I118-M201 WeakPolarHBondContact CD1-SD 3.3Å; I118-M201 HydrophobicContact CG1-CE 4.22Å; I118-M201 HydrophobicContact CG1-CG 4.48Å; I118-M201 HydrophobicContact CG1-SD 3.72Å; I118-D202 PolarHBondContact N-O 2.99Å; I118-V203 HydrophobicContact CB-CG2 4.41Å; I118-V203 CarbonylContact O-C 3.58Å; I118-V203 VanDerWaalsContact O-CA 3.29Å; I118-V203 WeakPolarHBondContact O-CA 3.43Å; I118-T204 PolarHBondContact O-N 3.09Å
119N88Confident83.5Confident104 Ų10457.3 Ų57.356%0.55630%0.301SS*.EExtended strand (participates in β ladder)trans-110.2117.3174-174.20.6000110G121 T204N119-G121 VanDerWaalsContact C-N 3.3Å; N119-G121 WeakPolarHBondContact OD1-CA 3.38Å; N119-G121 PolarHBondContact OD1-N 2.91Å; N119-T204 CarbonylContact C-O 3.5Å; N119-T204 WeakPolarHBondContact CA-O 3.44Å; N119-T204 PolarHBondContact OD1-O 2.74Å
120F87.6Confident84.5Confident5 Ų556.3 Ų56.32%0.02230%0.295CS..EExtended strand (participates in β ladder)trans-76.4-17175-78.7-86.5000112.9I118 V123 K129 H131 L153 I172 F174 V203 T204I118-F120 HydrophobicContact CG2-CD2 4.3Å; I118-F120 HydrophobicContact CG2-CE2 4.07Å; F120-V123 HydrophobicContact CB-CG2 4.28Å; F120-K129 HydrophobicContact CD1-CB 4.04Å; F120-K129 HydrophobicContact CD1-CD 4.36Å; F120-K129 HydrophobicContact CD1-CG 4.07Å; F120-K129 WeakPolarHBondContact CE1-O 3.42Å; F120-K129 WeakPolarHBondContact O-CD 3.44Å; F120-K129 WeakPolarHBondContact O-CE 3.49Å; F120-K129 PolarHBondContact O-NZ 3.34Å; F120-H131 HydrophobicContact CE1-CB 3.79Å; F120-H131 HydrophobicContact CZ-CB 4Å; F120-L153 HydrophobicContact CE2-CD2 3.75Å; F120-L153 HydrophobicContact CZ-CD2 4.25Å; F120-I172 HydrophobicContact CZ-CG1 4.26Å; F120-I172 HydrophobicContact CZ-CG2 3.94Å; F120-F174 HydrophobicContact CB-CB 4.48Å; F120-F174 HydrophobicContact CB-CD1 4.15Å; F120-F174 HydrophobicContact CB-CG 4.41Å; F120-F174 HydrophobicContact CD1-CB 3.61Å; F120-F174 HydrophobicContact CD1-CG 4.4Å; F120-F174 HydrophobicContact CD2-CB 3.78Å; F120-F174 HydrophobicContact CD2-CD2 4.46Å; F120-F174 HydrophobicContact CD2-CG 4.09Å; F120-F174 HydrophobicContact CE1-CB 3.61Å; F120-F174 HydrophobicContact CE2-CB 3.78Å; F120-F174 HydrophobicContact CE2-CG 4.46Å; F120-F174 HydrophobicContact CG-CB 3.69Å; F120-F174 HydrophobicContact CG-CD1 4.25Å; F120-F174 HydrophobicContact CG-CG 4.05Å; F120-F174 HydrophobicContact CZ-CB 3.67Å; F120-V203 HydrophobicContact CD2-CG1 3.72Å; F120-V203 HydrophobicContact CE2-CG1 3.54Å; F120-T204 PolarHBondContact N-O 2.79Å
121G84.6Confident84.9Confident15 Ų1558.4 Ų58.416%0.15531%0.306CS..EExtended strand (participates in β ladder)trans64.9-155.7-17300000112.3N119 T206N119-G121 VanDerWaalsContact C-N 3.3Å; N119-G121 WeakPolarHBondContact OD1-CA 3.38Å; N119-G121 PolarHBondContact OD1-N 2.91Å; G121-T206 VanDerWaalsContact C-OG1 3.27Å; G121-T206 PolarHBondContact O-N 2.96Å; G121-T206 PolarHBondContact O-OG1 3.09Å
122P82.2Confident85.3Confident55 Ų5559 Ų5936%0.35731%0.309SS..EExtended strand (participates in β ladder)trans-69.8133.4175.928.2-32.5000111.8T206 N255 V256P122-T206 CarbonylContact C-O 3.49Å; P122-T206 WeakPolarHBondContact CA-O 3.43Å; P122-T206 VanDerWaalsContact CA-OG1 3.23Å; P122-T206 WeakPolarHBondContact CA-OG1 3.27Å; P122-N255 HydrophobicContact CB-CB 4.21Å; P122-N255 HydrophobicContact CG-CB 4.33Å; P122-V256 HydrophobicContact CB-CG1 3.98Å
123V82.7Confident85.5Confident6 Ų659.2 Ų59.24%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-138.5135.1178.8-175.70000108.5F120 K129 F174 P176 T206 A207 E208F120-V123 HydrophobicContact CB-CG2 4.28Å; V123-K129 HydrophobicContact CG1-CB 4.09Å; V123-K129 HydrophobicContact CG2-CB 3.85Å; V123-K129 HydrophobicContact CG2-CD 3.56Å; V123-K129 HydrophobicContact CG2-CG 4.37Å; V123-F174 HydrophobicContact CB-CD1 4.11Å; V123-F174 HydrophobicContact CB-CE1 4.14Å; V123-F174 HydrophobicContact CG1-CD1 4.31Å; V123-F174 HydrophobicContact CG2-CD1 3.83Å; V123-F174 HydrophobicContact CG2-CE1 4.11Å; V123-P176 HydrophobicContact CB-CG 4.44Å; V123-P176 HydrophobicContact CG1-CG 4.18Å; V123-T206 PolarHBondContact N-O 3.45Å; V123-A207 CarbonylContact O-C 3.58Å; V123-A207 VanDerWaalsContact O-CA 3.3Å; V123-A207 WeakPolarHBondContact O-CA 3.24Å; V123-E208 PolarHBondContact O-N 2.87Å
124A77.1Confident85.6Confident7 Ų756.8 Ų56.86%0.05831%0.306CS..EExtended strand (participates in β ladder)trans-69.4141.8178.500000110.7T127 E208 V256A124-T127 HydrophobicContact CB-CG2 3.74Å; A124-T127 PolarHBondContact N-OG1 3.43Å; A124-T127 PolarHBondContact O-N 2.9Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.12Å; A124-E208 WeakPolarHBondContact CA-O 3.43Å; A124-V256 HydrophobicContact CB-CB 4.03Å; A124-V256 HydrophobicContact CB-CG1 4.44Å; A124-V256 HydrophobicContact CB-CG2 3.92Å
125V78.6Confident85.6Confident7 Ų756.6 Ų56.64%0.04231%0.305CS..THydrogen-bonded Turntrans-57.7140.9174.1175.40000110.4T127 T177 P179 A207 E208 N209V125-T127 PolarHBondContact O-N 2.87Å; V125-T177 VanDerWaalsContact CG1-O 3.31Å; V125-T177 WeakPolarHBondContact CG1-O 3.34Å; V125-P179 HydrophobicContact CG2-CB 4Å; V125-A207 HydrophobicContact CG2-CB 4.14Å; V125-E208 PolarHBondContact N-O 3.49Å; V125-E208 VanDerWaalsContact N-O 3.08Å; V125-N209 WeakPolarHBondContact CB-OD1 3.3Å; V125-N209 WeakPolarHBondContact CG2-OD1 3.43Å
126N75.8Confident85.6Confident94 Ų9458.1 Ų58.150%0.50331%0.307SS..THydrogen-bonded Turntrans63.113.2-175.2-57.7-38.2000115.6P176N126-P176 PolarHBondContact N-O 3.4Å
127T78.7Confident85.7Confident37 Ų3750.6 Ų50.623%0.22727%0.272CS..  trans-106.9167.7169.871.50000111.1A124 V125A124-T127 HydrophobicContact CB-CG2 3.74Å; A124-T127 PolarHBondContact N-OG1 3.43Å; A124-T127 PolarHBondContact O-N 2.9Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.12Å; V125-T127 PolarHBondContact O-N 2.87Å
128I84.6Confident85.4Confident119 Ų11949.7 Ų49.761%0.6127%0.265SS*.  trans-115.8139.1178.463.8174.3000110.6I173 F174 A175I128-I173 HydrophobicContact CB-CG2 3.95Å; I128-I173 HydrophobicContact CG2-CG2 4.27Å; I128-F174 WeakPolarHBondContact CA-O 3.32Å; I128-A175 HydrophobicContact CG2-CB 3.77Å
129K83.9Confident84.9Confident88 Ų8850.1 Ų50.138%0.38327%0.268SS..EExtended strand (participates in β ladder)trans-124.7135.7168.4-166.7169.1-175176.60109.6F120 V123 I173 F174F120-K129 HydrophobicContact CD1-CB 4.04Å; F120-K129 HydrophobicContact CD1-CD 4.36Å; F120-K129 HydrophobicContact CD1-CG 4.07Å; F120-K129 WeakPolarHBondContact CE1-O 3.42Å; F120-K129 WeakPolarHBondContact O-CD 3.44Å; F120-K129 WeakPolarHBondContact O-CE 3.49Å; F120-K129 PolarHBondContact O-NZ 3.34Å; V123-K129 HydrophobicContact CG1-CB 4.09Å; V123-K129 HydrophobicContact CG2-CB 3.85Å; V123-K129 HydrophobicContact CG2-CD 3.56Å; V123-K129 HydrophobicContact CG2-CG 4.37Å; K129-I173 WeakPolarHBondContact O-CA 3.36Å; K129-F174 PolarHBondContact N-O 2.93Å; K129-F174 PolarHBondContact O-N 2.85Å
130T89Confident84.1Confident62 Ų6251.3 Ų51.338%0.3827%0.269SS..EExtended strand (participates in β ladder)trans-110.3137.4-175.6-63.50000110.4E171 I172T130-E171 HydrophobicContact CG2-CG 3.25Å; T130-E171 WeakPolarHBondContact CG2-OE1 3.47Å; T130-I172 WeakPolarHBondContact CA-O 3.48Å
131H88.6Confident83.7Confident81 Ų8153.7 Ų53.738%0.37528%0.281SS..EExtended strand (participates in β ladder)trans-127.9144.4169-163.6-66.5000109.7I118 F120 I172I118-H131 HydrophobicContact CG2-CB 4.2Å; F120-H131 HydrophobicContact CE1-CB 3.79Å; F120-H131 HydrophobicContact CZ-CB 4Å; H131-I172 HydrophobicContact CB-CG2 4.01Å; H131-I172 PolarHBondContact N-O 3.07Å; H131-I172 VanDerWaalsContact O-CG2 3.31Å; H131-I172 WeakPolarHBondContact O-CG2 3.5Å; H131-I172 PolarHBondContact O-N 2.83Å
132I91.1Very high83.5Confident108 Ų10859.1 Ų59.155%0.55430%0.3SS*.EExtended strand (participates in β ladder)trans-113128.7177.2-59.8171.6000108.7A169 I170 E171I132-A169 HydrophobicContact CG2-CB 3.98Å; I132-I170 WeakPolarHBondContact CA-O 3.43Å; I132-E171 HydrophobicContact CG1-CB 4.39Å; I132-E171 HydrophobicContact CG1-CG 4.22Å
133F90.6Very high83.6Confident9 Ų956.5 Ų56.54%0.03928%0.283CS..EExtended strand (participates in β ladder)trans-126.8161.3174.271.5-89.6000111.4L114 P115 I118 L147 A169 I170 I172 M201L114-F133 HydrophobicContact CD1-CD2 4.21Å; L114-F133 HydrophobicContact CD1-CE2 3.6Å; L114-F133 HydrophobicContact CD1-CZ 4.41Å; P115-F133 HydrophobicContact CG-CB 4.04Å; P115-F133 HydrophobicContact CG-CD2 4.16Å; P115-F133 HydrophobicContact CG-CG 4.42Å; I118-F133 HydrophobicContact CD1-CB 3.93Å; I118-F133 HydrophobicContact CD1-CD1 3.6Å; I118-F133 HydrophobicContact CD1-CE1 4.36Å; I118-F133 HydrophobicContact CD1-CG 3.93Å; F133-L147 HydrophobicContact CZ-CD1 4.4Å; F133-A169 CarbonylContact O-C 3.48Å; F133-A169 WeakPolarHBondContact O-CA 3.45Å; F133-I170 HydrophobicContact CE1-CB 4.06Å; F133-I170 HydrophobicContact CE1-CG2 3.77Å; F133-I170 HydrophobicContact CE2-CB 4.15Å; F133-I170 HydrophobicContact CE2-CD1 3.88Å; F133-I170 HydrophobicContact CE2-CG2 4.46Å; F133-I170 HydrophobicContact CZ-CB 3.85Å; F133-I170 HydrophobicContact CZ-CD1 4.1Å; F133-I170 HydrophobicContact CZ-CG2 3.68Å; F133-I170 PolarHBondContact N-O 3.32Å; F133-I170 PolarHBondContact O-N 3.46Å; F133-I172 HydrophobicContact CD1-CB 4.45Å; F133-I172 HydrophobicContact CD1-CG2 3.87Å; F133-I172 HydrophobicContact CE1-CB 4.11Å; F133-I172 HydrophobicContact CE1-CG2 4.01Å; F133-M201 HydrophobicContact CD1-CE 4.21Å; F133-M201 HydrophobicContact CE1-CE 3.87Å; F133-M201 HydrophobicContact CE2-CE 4.37Å; F133-M201 HydrophobicContact CZ-CE 3.96Å
134T89.7Confident83.9Confident84 Ų8458.9 Ų58.952%0.51530%0.296SS..EExtended strand (participates in β ladder)trans-108.6129.8-177.610.30000111.9K168 A169T134-K168 CarbonylContact C-O 3.47Å; T134-K168 WeakPolarHBondContact CA-O 3.32Å; T134-A169 HydrophobicContact CG2-CB 4.48Å
135L91.8Very high84.5Confident0 Ų058.8 Ų58.80%029%0.294CS..EExtended strand (participates in β ladder)trans-105.8121171.4-170.574.2000109.3V112 L114 F145 L162 K167 K168 I170V112-L135 HydrophobicContact CG1-CD1 3.28Å; V112-L135 HydrophobicContact CG1-CD2 4.38Å; V112-L135 HydrophobicContact CG1-CG 3.62Å; L114-L135 HydrophobicContact CB-CD1 4.11Å; L114-L135 HydrophobicContact CD1-CD1 3.67Å; L114-L135 HydrophobicContact CG-CD1 4.5Å; L135-F145 HydrophobicContact CD2-CB 4.15Å; L135-F145 HydrophobicContact CD2-CD1 3.93Å; L135-F145 HydrophobicContact CD2-CD2 3.48Å; L135-F145 VanDerWaalsContact CD2-CD2 3.48Å; L135-F145 HydrophobicContact CD2-CE1 4.19Å; L135-F145 HydrophobicContact CD2-CE2 3.78Å; L135-F145 HydrophobicContact CD2-CG 3.57Å; L135-F145 HydrophobicContact CD2-CZ 4.12Å; L135-L162 HydrophobicContact CD2-CD1 3.91Å; L135-L162 HydrophobicContact CG-CD1 3.93Å; L135-K167 CarbonylContact O-C 3.57Å; L135-K167 WeakPolarHBondContact O-CA 3.2Å; L135-K168 PolarHBondContact N-O 3.33Å; L135-K168 PolarHBondContact O-N 3.36Å; L135-I170 HydrophobicContact CB-CD1 3.49Å; L135-I170 VanDerWaalsContact CB-CD1 3.49Å; L135-I170 HydrophobicContact CD2-CD1 3.95Å; L135-I170 HydrophobicContact CG-CD1 4.31Å
136K88.3Confident85.1Confident77 Ų7762.1 Ų62.134%0.33531%0.308SS..EExtended strand (participates in β ladder)trans-125.7129.8-175.6-180179179.6-173.40112.3V112 K113 M138 E166 K167V112-K136 CarbonylContact C-O 3.54Å; V112-K136 WeakPolarHBondContact CA-O 3.26Å; K113-K136 HydrophobicContact CB-CB 4.35Å; K113-K136 PolarHBondContact N-O 2.89Å; K113-K136 PolarHBondContact O-N 2.83Å; K136-M138 HydrophobicContact CD-SD 4.08Å; K136-M138 HydrophobicContact CG-SD 4.3Å; K136-E166 CarbonylContact C-O 3.57Å; K136-E166 WeakPolarHBondContact CA-O 2.97Å; K136-K167 HydrophobicContact CB-CB 3.91Å; K136-K167 HydrophobicContact CD-CB 4.39Å; K136-K167 HydrophobicContact CG-CB 4Å
137N88.4Confident85.9Confident0 Ų057.9 Ų57.90%029%0.285CS..EExtended strand (participates in β ladder)trans-71.7128.9167.7-176.20.5000109.3L111 T139 L141 T143 L162 N163 F165 E166L111-N137 PolarHBondContact O-OD1 3.24Å; N137-T139 PolarHBondContact OD1-N 3.3Å; N137-T139 PolarHBondContact OD1-O 2.94Å; N137-T139 PolarHBondContact OD1-OG1 3.36Å; N137-L141 PolarHBondContact ND2-O 2.95Å; N137-T143 HydrophobicContact CB-CG2 4.13Å; N137-L162 HydrophobicContact CB-CB 3.81Å; N137-L162 HydrophobicContact CB-CD1 4.33Å; N137-L162 PolarHBondContact ND2-O 3.49Å; N137-N163 WeakPolarHBondContact CB-O 3.2Å; N137-N163 PolarHBondContact ND2-O 2.89Å; N137-F165 VanDerWaalsContact O-CA 3.27Å; N137-F165 WeakPolarHBondContact O-CA 3.45Å; N137-E166 PolarHBondContact N-O 3.47Å
138M83.2Confident86.4Confident77 Ų7761.8 Ų61.838%0.37930%0.299SS..  trans-100.88.1-177.4-67.3-64-59.700112.5L111 K113 K136 F165L111-M138 HydrophobicContact CB-CB 4.19Å; L111-M138 HydrophobicContact CD2-CB 3.88Å; L111-M138 HydrophobicContact CD2-CG 4.46Å; L111-M138 HydrophobicContact CG-CB 4.06Å; L111-M138 PolarHBondContact O-N 2.93Å; K113-M138 HydrophobicContact CB-CG 3.93Å; K113-M138 HydrophobicContact CB-SD 4.08Å; K113-M138 HydrophobicContact CD-SD 4.43Å; K136-M138 HydrophobicContact CD-SD 4.08Å; K136-M138 HydrophobicContact CG-SD 4.3Å; M138-F165 VanDerWaalsContact O-CE1 3.28Å; M138-F165 WeakPolarHBondContact O-CE1 3.38Å
139T78.3Confident86.5Confident17 Ų1758.2 Ų58.210%0.10428%0.283CS..SBendtrans-130.4164.5-170.272.50000111.1T109 L111 N137 L141 S164 F165T109-T139 WeakPolarHBondContact O-CG2 3.41Å; L111-T139 HydrophobicContact CB-CG2 3.57Å; L111-T139 VanDerWaalsContact N-CG2 3.34Å; N137-T139 PolarHBondContact OD1-N 3.3Å; N137-T139 PolarHBondContact OD1-O 2.94Å; N137-T139 PolarHBondContact OD1-OG1 3.36Å; T139-L141 PolarHBondContact O-N 3.15Å; T139-L141 PolarHBondContact OG1-N 2.99Å; T139-L141 PolarHBondContact OG1-O 3.48Å; T139-S164 WeakPolarHBondContact O-CA 3.32Å; T139-F165 PolarHBondContact O-N 2.93Å
140K72.3Confident86.6Confident130 Ų13058 Ų5857%0.56529%0.289SS*.SBendtrans-72.4-17.8171.2-70.4-179.8-178.3174.80113.2S164 F165K140-S164 WeakPolarHBondContact CA-OG 3.37Å; K140-F165 HydrophobicContact CG-CE2 3.68Å; K140-F165 HydrophobicContact CG-CZ 4.11Å
141L77.6Confident86.2Confident54 Ų5460.3 Ų60.328%0.28331%0.308SS..SBendtrans-78.4125.2-177.9-59.4176.2000110.2H108 Y110 N137 T139 T143H108-L141 HydrophobicContact CB-CD1 3.85Å; H108-L141 HydrophobicContact CB-CD2 4.49Å; H108-L141 HydrophobicContact CB-CG 4.25Å; Y110-L141 HydrophobicContact CD1-CB 3.9Å; Y110-L141 HydrophobicContact CD1-CD1 4.28Å; Y110-L141 HydrophobicContact CD2-CD1 4.48Å; Y110-L141 HydrophobicContact CE1-CB 3.54Å; Y110-L141 HydrophobicContact CE1-CD1 4.08Å; Y110-L141 HydrophobicContact CE1-CG 4.44Å; Y110-L141 HydrophobicContact CE2-CD1 4.24Å; Y110-L141 HydrophobicContact CG-CD1 4.48Å; N137-L141 PolarHBondContact ND2-O 2.95Å; T139-L141 PolarHBondContact O-N 3.15Å; T139-L141 PolarHBondContact OG1-N 2.99Å; T139-L141 PolarHBondContact OG1-O 3.48Å; L141-T143 PolarHBondContact O-N 2.89Å
142K82.2Confident85.8Confident129 Ų12957.2 Ų57.256%0.56130%0.295SS*.  trans-61.9130.3171.3-178.3178.2179.3178.80109.8Y110 T161 N163Y110-K142 WeakPolarHBondContact CE1-O 3.25Å; K142-T161 HydrophobicContact CD-CG2 4.07Å; K142-T161 HydrophobicContact CG-CG2 3.63Å; K142-N163 WeakPolarHBondContact CE-OD1 3.4Å
143T84Confident85.6Confident0 Ų052.4 Ų52.40%027%0.27CS..EExtended strand (participates in β ladder)trans-130.6126.5-171.9-166.60000112V112 N137 L141 L162 G191V112-T143 HydrophobicContact CG2-CG2 3.86Å; N137-T143 HydrophobicContact CB-CG2 4.13Å; L141-T143 PolarHBondContact O-N 2.89Å; T143-L162 HydrophobicContact CG2-CB 4.01Å; T143-L162 PolarHBondContact N-O 3.32Å; T143-L162 PolarHBondContact O-N 2.9Å; T143-G191 WeakPolarHBondContact OG1-CA 3.44Å; T143-G191 PolarHBondContact OG1-N 2.69Å
144D88Confident85.5Confident57 Ų5757.8 Ų57.831%0.30530%0.295SS..EExtended strand (participates in β ladder)trans-81.1136.2170.5-64-34.2000108.9G160 T161 F190 G191 R196D144-G160 CarbonylContact C-O 3.59Å; D144-G160 WeakPolarHBondContact CA-O 3.2Å; D144-T161 VanDerWaalsContact OD1-CB 3.31Å; D144-T161 WeakPolarHBondContact OD1-CB 3.24Å; D144-T161 WeakPolarHBondContact OD1-CG2 3.35Å; D144-T161 PolarHBondContact OD1-OG1 3.4Å; D144-F190 CarbonylContact O-C 3.59Å; D144-F190 WeakPolarHBondContact O-CA 3.32Å; D144-G191 PolarHBondContact O-N 3.27Å; D144-G191 VanDerWaalsContact O-N 3.13Å; D144-R196 PolarHBondContact O-NH1 3.22Å
145F90.9Very high85.4Confident5 Ų555 Ų552%0.02228%0.277CS..EExtended strand (participates in β ladder)trans-122.915117773.8-89.8000112.3L135 L147 L157 E159 G160 L162 K168 I170 I189 F190L135-F145 HydrophobicContact CD2-CB 4.15Å; L135-F145 HydrophobicContact CD2-CD1 3.93Å; L135-F145 HydrophobicContact CD2-CD2 3.48Å; L135-F145 VanDerWaalsContact CD2-CD2 3.48Å; L135-F145 HydrophobicContact CD2-CE1 4.19Å; L135-F145 HydrophobicContact CD2-CE2 3.78Å; L135-F145 HydrophobicContact CD2-CG 3.57Å; L135-F145 HydrophobicContact CD2-CZ 4.12Å; F145-L147 HydrophobicContact CD2-CD1 4.29Å; F145-L147 HydrophobicContact CD2-CG 4.23Å; F145-L147 HydrophobicContact CE2-CD1 4.07Å; F145-L147 HydrophobicContact CE2-CG 4.48Å; F145-L157 HydrophobicContact CZ-CD2 3.87Å; F145-E159 WeakPolarHBondContact O-CA 3.5Å; F145-G160 WeakPolarHBondContact CD1-O 3.46Å; F145-G160 VanDerWaalsContact CE1-C 3.46Å; F145-G160 WeakPolarHBondContact CE1-O 3.41Å; F145-G160 PolarHBondContact N-O 3.21Å; F145-G160 PolarHBondContact O-N 3.03Å; F145-L162 HydrophobicContact CD1-CD1 3.9Å; F145-L162 HydrophobicContact CD1-CG 3.77Å; F145-L162 HydrophobicContact CE1-CD1 4.25Å; F145-L162 HydrophobicContact CE1-CD2 4.37Å; F145-L162 HydrophobicContact CE1-CG 3.81Å; F145-K168 HydrophobicContact CE1-CD 4.28Å; F145-K168 HydrophobicContact CZ-CD 4.38Å; F145-I170 HydrophobicContact CE2-CD1 4.48Å; F145-I189 CarbonylContact C-O 3.6Å; F145-I189 WeakPolarHBondContact CA-O 3.48Å; F145-F190 HydrophobicContact CB-CB 4.18Å
146K91.2Very high85Confident77 Ų7758.6 Ų58.634%0.33530%0.302SS..EExtended strand (participates in β ladder)trans-139.5127.5171.5-173.1166-169.7121.80110.3D158 E159 I189K146-D158 CarbonylContact C-O 3.57Å; K146-D158 VanDerWaalsContact CA-O 3.27Å; K146-D158 WeakPolarHBondContact CA-O 3.41Å; K146-E159 HydrophobicContact CB-CB 4.5Å; K146-E159 HydrophobicContact CG-CB 4.36Å; K146-E159 IonicContact NZ-OE2 3.71Å; K146-E159 PolarHBondContact NZ-OE2 3.4Å; K146-I189 PolarHBondContact N-O 2.8Å; K146-I189 PolarHBondContact O-N 3.26Å
147L91.5Very high85Confident4 Ų458 Ų582%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-103.7123.9-179.8-66.7162.7000109.4F133 F145 I155 D158 I170 V186 I187 C188F133-L147 HydrophobicContact CZ-CD1 4.4Å; F145-L147 HydrophobicContact CD2-CD1 4.29Å; F145-L147 HydrophobicContact CD2-CG 4.23Å; F145-L147 HydrophobicContact CE2-CD1 4.07Å; F145-L147 HydrophobicContact CE2-CG 4.48Å; L147-I155 HydrophobicContact CB-CD1 4.21Å; L147-I155 HydrophobicContact CD1-CG2 4.43Å; L147-D158 PolarHBondContact N-O 2.72Å; L147-I170 HydrophobicContact CD1-CD1 3.59Å; L147-I170 HydrophobicContact CD1-CG1 4.32Å; L147-I170 HydrophobicContact CD1-CG2 4.14Å; L147-V186 HydrophobicContact CB-CG1 4.43Å; L147-V186 HydrophobicContact CD2-CG1 3.89Å; L147-I187 WeakPolarHBondContact CA-O 3.42Å; L147-C188 HydrophobicContact CD2-CB 3.53Å
148K89.5Confident84.8Confident120 Ų12061.8 Ų61.852%0.52232%0.323SS..EExtended strand (participates in β ladder)trans-105.8129.4174.3-66.6-174.2177-175.40110.1V186 I187 I189K148-V186 WeakPolarHBondContact O-CA 3.11Å; K148-I187 HydrophobicContact CB-CB 4.48Å; K148-I187 PolarHBondContact N-O 2.89Å; K148-I187 PolarHBondContact O-N 3.15Å; K148-I187 VanDerWaalsContact O-N 3.09Å; K148-I189 HydrophobicContact CD-CD1 4.35Å
149V87.7Confident85Confident44 Ų4463.2 Ų63.227%0.26733%0.329SS..  trans-130.7155.4175.7-93.10000110.7L153 I155 I172 V186V149-L153 HydrophobicContact CB-CB 4.18Å; V149-L153 HydrophobicContact CG1-CB 3.97Å; V149-L153 HydrophobicContact CG1-CD1 4.29Å; V149-I155 HydrophobicContact CB-CD1 4.24Å; V149-I155 HydrophobicContact CG1-CD1 3.38Å; V149-I155 HydrophobicContact CG1-CG1 3.88Å; V149-I155 HydrophobicContact CG2-CB 4.07Å; V149-I155 HydrophobicContact CG2-CD1 3.83Å; V149-I155 HydrophobicContact CG2-CG1 3.86Å; V149-I172 HydrophobicContact CG1-CD1 4.42Å; V149-V186 HydrophobicContact CG1-CB 4.3Å; V149-V186 HydrophobicContact CG1-CG1 4.17Å; V149-V186 HydrophobicContact CG1-CG2 3.61Å
150T85.3Confident85.5Confident83 Ų8363.5 Ų63.551%0.50934%0.335SS..  trans-119.5148.4173.446.30000109.7L153T150-L153 WeakPolarHBondContact O-CB 3.38Å; T150-L153 PolarHBondContact O-N 3.19Å
151S80.1Confident86.2Confident110 Ų11059.4 Ų59.477%0.76932%0.321SS*.THydrogen-bonded Turntrans-51136.2171.9-175.20000109.7
152P81Confident86.7Confident16 Ų1656.8 Ų56.810%0.10431%0.307CS..THydrogen-bonded Turncis-88.815.61435.9-38.4000116F174 A175 I182P152-F174 HydrophobicContact CB-CE2 4.48Å; P152-F174 HydrophobicContact CG-CD2 3.97Å; P152-F174 HydrophobicContact CG-CE2 3.56Å; P152-F174 HydrophobicContact CG-CZ 4.39Å; P152-A175 VanDerWaalsContact CB-O 3.31Å; P152-A175 WeakPolarHBondContact CB-O 3.37Å; P152-A175 PolarHBondContact O-N 2.85Å; P152-I182 HydrophobicContact CG-CD1 4.01Å; P152-I182 HydrophobicContact CG-CG2 4.16Å
153L87.1Confident86.9Confident7 Ų754.3 Ų54.34%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-91.2141178-65.8168.3000112.6F120 V149 T150 I172 I173 F174 T184 V203F120-L153 HydrophobicContact CE2-CD2 3.75Å; F120-L153 HydrophobicContact CZ-CD2 4.25Å; V149-L153 HydrophobicContact CB-CB 4.18Å; V149-L153 HydrophobicContact CG1-CB 3.97Å; V149-L153 HydrophobicContact CG1-CD1 4.29Å; T150-L153 WeakPolarHBondContact O-CB 3.38Å; T150-L153 PolarHBondContact O-N 3.19Å; L153-I172 HydrophobicContact CD1-CD1 4.27Å; L153-I172 HydrophobicContact CD2-CD1 4.01Å; L153-I172 HydrophobicContact CD2-CG1 4.04Å; L153-I173 CarbonylContact C-O 3.54Å; L153-I173 WeakPolarHBondContact CA-O 3.44Å; L153-F174 HydrophobicContact CD2-CB 4.05Å; L153-F174 HydrophobicContact CD2-CD2 3.75Å; L153-F174 HydrophobicContact CD2-CG 4.39Å; L153-F174 HydrophobicContact CG-CD2 4.39Å; L153-T184 WeakPolarHBondContact CD1-OG1 3.32Å; L153-V203 HydrophobicContact CD1-CB 3.84Å; L153-V203 HydrophobicContact CD1-CG1 3.77Å; L153-V203 HydrophobicContact CD1-CG2 4.12Å; L153-V203 HydrophobicContact CD2-CG1 3.8Å; L153-V203 HydrophobicContact CG-CG1 4.4Å
154Q86.8Confident86.9Confident122 Ų12257.1 Ų57.157%0.5732%0.319SS*.EExtended strand (participates in β ladder)trans-129145.9170.6-64.5178.9-6.200109.6I172 I173Q154-I172 CarbonylContact O-C 3.54Å; Q154-I172 WeakPolarHBondContact O-CA 3.38Å; Q154-I173 HydrophobicContact CB-CB 4.35Å; Q154-I173 PolarHBondContact N-O 3.07Å; Q154-I173 PolarHBondContact O-N 3.28Å
155I89.2Confident86.5Confident25 Ų2559.4 Ų59.413%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-126137.2179-73.8178.3000108.5L147 V149 L157 I170 E171 I172 V186L147-I155 HydrophobicContact CB-CD1 4.21Å; L147-I155 HydrophobicContact CD1-CG2 4.43Å; V149-I155 HydrophobicContact CB-CD1 4.24Å; V149-I155 HydrophobicContact CG1-CD1 3.38Å; V149-I155 HydrophobicContact CG1-CG1 3.88Å; V149-I155 HydrophobicContact CG2-CB 4.07Å; V149-I155 HydrophobicContact CG2-CD1 3.83Å; V149-I155 HydrophobicContact CG2-CG1 3.86Å; I155-L157 WeakPolarHBondContact CG2-O 3.33Å; I155-I170 HydrophobicContact CG2-CG2 3.57Å; I155-E171 WeakPolarHBondContact CA-O 3.14Å; I155-I172 HydrophobicContact CD1-CD1 4.13Å; I155-I172 HydrophobicContact CD1-CG1 4.46Å; I155-I172 HydrophobicContact CG1-CB 4.08Å; I155-I172 HydrophobicContact CG1-CD1 4.04Å; I155-I172 HydrophobicContact CG1-CG1 3.82Å; I155-V186 HydrophobicContact CD1-CG1 3.82Å; I155-V186 HydrophobicContact CD1-CG2 4.38Å
156S82.5Confident86.4Confident76 Ų7661.9 Ų61.953%0.53134%0.338SS..SBendtrans-75.1-31.2-178.6630000114.1E171S156-E171 PolarHBondContact N-O 3.05Å; S156-E171 VanDerWaalsContact N-O 3.08Å; S156-E171 WeakPolarHBondContact OG-CB 3.49Å; S156-E171 PolarHBondContact OG-N 3.48Å
157L87.5Confident86.3Confident65 Ų6565.4 Ų65.434%0.3435%0.354SS..  trans-129.189.4-179.8-165.984.9000110F145 I155 K168F145-L157 HydrophobicContact CZ-CD2 3.87Å; I155-L157 WeakPolarHBondContact CG2-O 3.33Å; L157-K168 HydrophobicContact CD2-CD 4.08Å
158D84.8Confident86.1Confident79 Ų7968 Ų6842%0.42237%0.365SS..  trans-85.6-17.2-175.571.7-30.3000113.5K146 L147K146-D158 CarbonylContact C-O 3.57Å; K146-D158 VanDerWaalsContact CA-O 3.27Å; K146-D158 WeakPolarHBondContact CA-O 3.41Å; L147-D158 PolarHBondContact N-O 2.72Å
159E88.8Confident86.2Confident108 Ų10865.6 Ų65.651%0.50537%0.367SS..EExtended strand (participates in β ladder)trans-144.5156.1172.261.5-176-149.100113.5F145 K146F145-E159 WeakPolarHBondContact O-CA 3.5Å; K146-E159 HydrophobicContact CB-CB 4.5Å; K146-E159 HydrophobicContact CG-CB 4.36Å; K146-E159 IonicContact NZ-OE2 3.71Å; K146-E159 PolarHBondContact NZ-OE2 3.4Å
160G87.7Confident86.3Confident23 Ų2363.5 Ų63.524%0.23735%0.354CS..EExtended strand (participates in β ladder)trans170.8-176.2174.400000112.9D144 F145D144-G160 CarbonylContact C-O 3.59Å; D144-G160 WeakPolarHBondContact CA-O 3.2Å; F145-G160 WeakPolarHBondContact CD1-O 3.46Å; F145-G160 VanDerWaalsContact CE1-C 3.46Å; F145-G160 WeakPolarHBondContact CE1-O 3.41Å; F145-G160 PolarHBondContact N-O 3.21Å; F145-G160 PolarHBondContact O-N 3.03Å
161T87.1Confident86.6Confident43 Ų4363 Ų6326%0.26435%0.346SS..EExtended strand (participates in β ladder)trans-116.8139.4177.2-43.60000110.7K142 D144 K168K142-T161 HydrophobicContact CD-CG2 4.07Å; K142-T161 HydrophobicContact CG-CG2 3.63Å; D144-T161 VanDerWaalsContact OD1-CB 3.31Å; D144-T161 WeakPolarHBondContact OD1-CB 3.24Å; D144-T161 WeakPolarHBondContact OD1-CG2 3.35Å; D144-T161 PolarHBondContact OD1-OG1 3.4Å; T161-K168 PolarHBondContact O-NZ 3.21Å
162L87.9Confident87.1Confident0 Ų057.8 Ų57.80%031%0.31CS..EExtended strand (participates in β ladder)trans-110.8119171.8-69.2166.3000109.3V112 L135 N137 T143 F145 E166 K168V112-L162 HydrophobicContact CG1-CD1 4.49Å; L135-L162 HydrophobicContact CD2-CD1 3.91Å; L135-L162 HydrophobicContact CG-CD1 3.93Å; N137-L162 HydrophobicContact CB-CB 3.81Å; N137-L162 HydrophobicContact CB-CD1 4.33Å; N137-L162 PolarHBondContact ND2-O 3.49Å; T143-L162 HydrophobicContact CG2-CB 4.01Å; T143-L162 PolarHBondContact N-O 3.32Å; T143-L162 PolarHBondContact O-N 2.9Å; F145-L162 HydrophobicContact CD1-CD1 3.9Å; F145-L162 HydrophobicContact CD1-CG 3.77Å; F145-L162 HydrophobicContact CE1-CD1 4.25Å; F145-L162 HydrophobicContact CE1-CD2 4.37Å; F145-L162 HydrophobicContact CE1-CG 3.81Å; L162-E166 HydrophobicContact CD2-CB 4.24Å; L162-E166 HydrophobicContact CD2-CG 4.19Å; L162-K168 HydrophobicContact CD2-CB 4.13Å; L162-K168 HydrophobicContact CD2-CD 3.95Å; L162-K168 HydrophobicContact CD2-CG 3.74Å
163N86.9Confident87.6Confident77 Ų7758.6 Ų58.641%0.41231%0.313SS..  trans-69.8175.3171.2-60.6-57.5000111.1N137 K142 F165 E166N137-N163 WeakPolarHBondContact CB-O 3.2Å; N137-N163 PolarHBondContact ND2-O 2.89Å; K142-N163 WeakPolarHBondContact CE-OD1 3.4Å; N163-F165 PolarHBondContact O-N 3.4Å; N163-F165 VanDerWaalsContact O-N 3.14Å; N163-E166 HydrophobicContact CB-CB 4.27Å; N163-E166 VanDerWaalsContact CB-OE2 3.3Å; N163-E166 WeakPolarHBondContact CB-OE2 3.4Å; N163-E166 PolarHBondContact N-OE2 3.03Å; N163-E166 PolarHBondContact ND2-OE2 3.13Å; N163-E166 WeakPolarHBondContact O-CB 3.42Å; N163-E166 PolarHBondContact O-N 3.14Å
164S82.8Confident87.7Confident58 Ų5858.3 Ų58.341%0.40631%0.312SS..THydrogen-bonded Turntrans-47.1120.2175.7178.30000111.1T139 K140 E166T139-S164 WeakPolarHBondContact O-CA 3.32Å; K140-S164 WeakPolarHBondContact CA-OG 3.37Å; S164-E166 PolarHBondContact O-N 2.94Å
165F81Confident87.8Confident105 Ų10553.8 Ų53.846%0.46130%0.295SS..THydrogen-bonded Turntrans56.710.9-179.7-56.5-71.4000117.6N137 M138 T139 K140 N163N137-F165 VanDerWaalsContact O-CA 3.27Å; N137-F165 WeakPolarHBondContact O-CA 3.45Å; M138-F165 VanDerWaalsContact O-CE1 3.28Å; M138-F165 WeakPolarHBondContact O-CE1 3.38Å; T139-F165 PolarHBondContact O-N 2.93Å; K140-F165 HydrophobicContact CG-CE2 3.68Å; K140-F165 HydrophobicContact CG-CZ 4.11Å; N163-F165 PolarHBondContact O-N 3.4Å; N163-F165 VanDerWaalsContact O-N 3.14Å
166E88.5Confident87.5Confident57 Ų5752.6 Ų52.627%0.26629%0.288SS..  trans-67.1146179.1-168.8-177.7160.800111.4K136 N137 L162 N163 S164 K168K136-E166 CarbonylContact C-O 3.57Å; K136-E166 WeakPolarHBondContact CA-O 2.97Å; N137-E166 PolarHBondContact N-O 3.47Å; L162-E166 HydrophobicContact CD2-CB 4.24Å; L162-E166 HydrophobicContact CD2-CG 4.19Å; N163-E166 HydrophobicContact CB-CB 4.27Å; N163-E166 VanDerWaalsContact CB-OE2 3.3Å; N163-E166 WeakPolarHBondContact CB-OE2 3.4Å; N163-E166 PolarHBondContact N-OE2 3.03Å; N163-E166 PolarHBondContact ND2-OE2 3.13Å; N163-E166 WeakPolarHBondContact O-CB 3.42Å; N163-E166 PolarHBondContact O-N 3.14Å; S164-E166 PolarHBondContact O-N 2.94Å; E166-K168 WeakPolarHBondContact OE1-CE 3.19Å
167K88.2Confident87.3Confident152 Ų15253.7 Ų53.766%0.66129%0.292SS*.EExtended strand (participates in β ladder)trans-123137.5172.259.3179.1-179.61740110.1L135 K136L135-K167 CarbonylContact O-C 3.57Å; L135-K167 WeakPolarHBondContact O-CA 3.2Å; K136-K167 HydrophobicContact CB-CB 3.91Å; K136-K167 HydrophobicContact CD-CB 4.39Å; K136-K167 HydrophobicContact CG-CB 4Å
168K88.6Confident86.9Confident59 Ų5954.7 Ų54.726%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-121.7139.6172.1-74.9-176.5-179174.90110.5T134 L135 F145 L157 T161 L162 E166T134-K168 CarbonylContact C-O 3.47Å; T134-K168 WeakPolarHBondContact CA-O 3.32Å; L135-K168 PolarHBondContact N-O 3.33Å; L135-K168 PolarHBondContact O-N 3.36Å; F145-K168 HydrophobicContact CE1-CD 4.28Å; F145-K168 HydrophobicContact CZ-CD 4.38Å; L157-K168 HydrophobicContact CD2-CD 4.08Å; T161-K168 PolarHBondContact O-NZ 3.21Å; L162-K168 HydrophobicContact CD2-CB 4.13Å; L162-K168 HydrophobicContact CD2-CD 3.95Å; L162-K168 HydrophobicContact CD2-CG 3.74Å; E166-K168 WeakPolarHBondContact OE1-CE 3.19Å
169A90.4Very high86.6Confident68 Ų6854.4 Ų54.456%0.56230%0.304SS*.EExtended strand (participates in β ladder)trans-85.5131.4168.700000108.6I132 F133 T134I132-A169 HydrophobicContact CG2-CB 3.98Å; F133-A169 CarbonylContact O-C 3.48Å; F133-A169 WeakPolarHBondContact O-CA 3.45Å; T134-A169 HydrophobicContact CG2-CB 4.48Å
170I90.5Very high86.3Confident0 Ų051 Ų510%030%0.297CS..EExtended strand (participates in β ladder)trans-121.7131.7179.2-66.5147000107.5I132 F133 L135 F145 L147 I155I132-I170 WeakPolarHBondContact CA-O 3.43Å; F133-I170 HydrophobicContact CE1-CB 4.06Å; F133-I170 HydrophobicContact CE1-CG2 3.77Å; F133-I170 HydrophobicContact CE2-CB 4.15Å; F133-I170 HydrophobicContact CE2-CD1 3.88Å; F133-I170 HydrophobicContact CE2-CG2 4.46Å; F133-I170 HydrophobicContact CZ-CB 3.85Å; F133-I170 HydrophobicContact CZ-CD1 4.1Å; F133-I170 HydrophobicContact CZ-CG2 3.68Å; F133-I170 PolarHBondContact N-O 3.32Å; F133-I170 PolarHBondContact O-N 3.46Å; L135-I170 HydrophobicContact CB-CD1 3.49Å; L135-I170 VanDerWaalsContact CB-CD1 3.49Å; L135-I170 HydrophobicContact CD2-CD1 3.95Å; L135-I170 HydrophobicContact CG-CD1 4.31Å; F145-I170 HydrophobicContact CE2-CD1 4.48Å; L147-I170 HydrophobicContact CD1-CD1 3.59Å; L147-I170 HydrophobicContact CD1-CG1 4.32Å; L147-I170 HydrophobicContact CD1-CG2 4.14Å; I155-I170 HydrophobicContact CG2-CG2 3.57Å
171E90.6Very high86.1Confident73 Ų7357 Ų5734%0.34131%0.314SS..EExtended strand (participates in β ladder)trans-94.3130.1176.7-170.2-178.2173.100109.1T130 I132 I155 S156T130-E171 HydrophobicContact CG2-CG 3.25Å; T130-E171 WeakPolarHBondContact CG2-OE1 3.47Å; I132-E171 HydrophobicContact CG1-CB 4.39Å; I132-E171 HydrophobicContact CG1-CG 4.22Å; I155-E171 WeakPolarHBondContact CA-O 3.14Å; S156-E171 PolarHBondContact N-O 3.05Å; S156-E171 VanDerWaalsContact N-O 3.08Å; S156-E171 WeakPolarHBondContact OG-CB 3.49Å; S156-E171 PolarHBondContact OG-N 3.48Å
172I91.9Very high85.9Confident0 Ų056.5 Ų56.50%031%0.309CS..EExtended strand (participates in β ladder)trans-120.8129.1175.2-173.8167.6000109.1I118 F120 T130 H131 F133 V149 L153 Q154 I155 V186 V203I118-I172 HydrophobicContact CD1-CG2 4.12Å; F120-I172 HydrophobicContact CZ-CG1 4.26Å; F120-I172 HydrophobicContact CZ-CG2 3.94Å; T130-I172 WeakPolarHBondContact CA-O 3.48Å; H131-I172 HydrophobicContact CB-CG2 4.01Å; H131-I172 PolarHBondContact N-O 3.07Å; H131-I172 VanDerWaalsContact O-CG2 3.31Å; H131-I172 WeakPolarHBondContact O-CG2 3.5Å; H131-I172 PolarHBondContact O-N 2.83Å; F133-I172 HydrophobicContact CD1-CB 4.45Å; F133-I172 HydrophobicContact CD1-CG2 3.87Å; F133-I172 HydrophobicContact CE1-CB 4.11Å; F133-I172 HydrophobicContact CE1-CG2 4.01Å; V149-I172 HydrophobicContact CG1-CD1 4.42Å; L153-I172 HydrophobicContact CD1-CD1 4.27Å; L153-I172 HydrophobicContact CD2-CD1 4.01Å; L153-I172 HydrophobicContact CD2-CG1 4.04Å; Q154-I172 CarbonylContact O-C 3.54Å; Q154-I172 WeakPolarHBondContact O-CA 3.38Å; I155-I172 HydrophobicContact CD1-CD1 4.13Å; I155-I172 HydrophobicContact CD1-CG1 4.46Å; I155-I172 HydrophobicContact CG1-CB 4.08Å; I155-I172 HydrophobicContact CG1-CD1 4.04Å; I155-I172 HydrophobicContact CG1-CG1 3.82Å; I172-V186 HydrophobicContact CD1-CG2 3.7Å; I172-V203 HydrophobicContact CD1-CG2 4.27Å
173I91.2Very high85.8Confident34 Ų3462.6 Ų62.617%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-112.1132.5-176.1-55.8173.8000108I128 K129 L153 Q154I128-I173 HydrophobicContact CB-CG2 3.95Å; I128-I173 HydrophobicContact CG2-CG2 4.27Å; K129-I173 WeakPolarHBondContact O-CA 3.36Å; L153-I173 CarbonylContact C-O 3.54Å; L153-I173 WeakPolarHBondContact CA-O 3.44Å; Q154-I173 HydrophobicContact CB-CB 4.35Å; Q154-I173 PolarHBondContact N-O 3.07Å; Q154-I173 PolarHBondContact O-N 3.28Å
174F90Very high85.8Confident1 Ų160 Ų600%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-109.1117.3172.9-178.3-112.4000109.1F120 V123 I128 K129 P152 L153 P176 I182F120-F174 HydrophobicContact CB-CB 4.48Å; F120-F174 HydrophobicContact CB-CD1 4.15Å; F120-F174 HydrophobicContact CB-CG 4.41Å; F120-F174 HydrophobicContact CD1-CB 3.61Å; F120-F174 HydrophobicContact CD1-CG 4.4Å; F120-F174 HydrophobicContact CD2-CB 3.78Å; F120-F174 HydrophobicContact CD2-CD2 4.46Å; F120-F174 HydrophobicContact CD2-CG 4.09Å; F120-F174 HydrophobicContact CE1-CB 3.61Å; F120-F174 HydrophobicContact CE2-CB 3.78Å; F120-F174 HydrophobicContact CE2-CG 4.46Å; F120-F174 HydrophobicContact CG-CB 3.69Å; F120-F174 HydrophobicContact CG-CD1 4.25Å; F120-F174 HydrophobicContact CG-CG 4.05Å; F120-F174 HydrophobicContact CZ-CB 3.67Å; V123-F174 HydrophobicContact CB-CD1 4.11Å; V123-F174 HydrophobicContact CB-CE1 4.14Å; V123-F174 HydrophobicContact CG1-CD1 4.31Å; V123-F174 HydrophobicContact CG2-CD1 3.83Å; V123-F174 HydrophobicContact CG2-CE1 4.11Å; I128-F174 WeakPolarHBondContact CA-O 3.32Å; K129-F174 PolarHBondContact N-O 2.93Å; K129-F174 PolarHBondContact O-N 2.85Å; P152-F174 HydrophobicContact CB-CE2 4.48Å; P152-F174 HydrophobicContact CG-CD2 3.97Å; P152-F174 HydrophobicContact CG-CE2 3.56Å; P152-F174 HydrophobicContact CG-CZ 4.39Å; L153-F174 HydrophobicContact CD2-CB 4.05Å; L153-F174 HydrophobicContact CD2-CD2 3.75Å; L153-F174 HydrophobicContact CD2-CG 4.39Å; L153-F174 HydrophobicContact CG-CD2 4.39Å; F174-P176 HydrophobicContact CD1-CG 4.04Å; F174-P176 HydrophobicContact CE1-CB 4.07Å; F174-P176 HydrophobicContact CE1-CG 3.64Å; F174-P176 HydrophobicContact CZ-CB 4.08Å; F174-P176 HydrophobicContact CZ-CG 4.18Å; F174-I182 HydrophobicContact CE2-CB 4.24Å; F174-I182 HydrophobicContact CE2-CD1 4.36Å; F174-I182 HydrophobicContact CE2-CG2 4.21Å; F174-I182 HydrophobicContact CZ-CB 4.13Å; F174-I182 HydrophobicContact CZ-CD1 4.02Å; F174-I182 HydrophobicContact CZ-CG1 4.49Å
175A87.3Confident85.9Confident26 Ų2659.6 Ų59.622%0.21532%0.316CS..  trans-128.372.4-173.600000111.3I128 P152I128-A175 HydrophobicContact CG2-CB 3.77Å; P152-A175 VanDerWaalsContact CB-O 3.31Å; P152-A175 WeakPolarHBondContact CB-O 3.37Å; P152-A175 PolarHBondContact O-N 2.85Å
176P84.4Confident86.4Confident0 Ų054.6 Ų54.60%029%0.294CS..  trans-74.6135.1-175.130.9-35.7000112.7V123 N126 F174 I182 A207V123-P176 HydrophobicContact CB-CG 4.44Å; V123-P176 HydrophobicContact CG1-CG 4.18Å; N126-P176 PolarHBondContact N-O 3.4Å; F174-P176 HydrophobicContact CD1-CG 4.04Å; F174-P176 HydrophobicContact CE1-CB 4.07Å; F174-P176 HydrophobicContact CE1-CG 3.64Å; F174-P176 HydrophobicContact CZ-CB 4.08Å; F174-P176 HydrophobicContact CZ-CG 4.18Å; P176-I182 HydrophobicContact CB-CD1 4.1Å; P176-A207 HydrophobicContact CB-CB 3.55Å; P176-A207 HydrophobicContact CG-CB 3.8Å
177T78.1Confident86.5Confident99 Ų9954.6 Ų54.661%0.60730%0.295SS*.SBendtrans-101.7-14.2176.952.60000113.7V125V125-T177 VanDerWaalsContact CG1-O 3.31Å; V125-T177 WeakPolarHBondContact CG1-O 3.34Å
178T77.4Confident86.6Confident86 Ų8647.4 Ų47.453%0.52826%0.264SS..SBendtrans-128.8141.1-179.4540000110.5A207T178-A207 VanDerWaalsContact O-CB 3.25Å; T178-A207 WeakPolarHBondContact O-CB 3.39Å
179P78.8Confident86.6Confident74 Ų7446.5 Ų46.548%0.48126%0.262SS..  trans-67.7149.2176.729.5-35.4000111.7V125 A207V125-P179 HydrophobicContact CG2-CB 4Å; P179-A207 CarbonylContact C-O 3.6Å; P179-A207 WeakPolarHBondContact CA-O 3.49Å
180G82.5Confident86.6Confident35 Ų3543.7 Ų43.736%0.36124%0.237SC..EExtended strand (participates in β ladder)trans138.8170.3176.700000114.6A207G180-A207 PolarHBondContact N-O 3.12Å; G180-A207 PolarHBondContact O-N 3.12Å
181Y84.8Confident86.2Confident151 Ų15143.7 Ų43.759%0.59224%0.237SC*.EExtended strand (participates in β ladder)trans-78.6120.9170.9177.5-95.5000110K183 T204 T206Y181-K183 HydrophobicContact CE1-CB 3.84Å; Y181-T204 VanDerWaalsContact OH-CG2 3.22Å; Y181-T204 WeakPolarHBondContact OH-CG2 3.44Å; Y181-T206 HydrophobicContact CD2-CG2 3.59Å; Y181-T206 HydrophobicContact CE2-CG2 4.48Å; Y181-T206 HydrophobicContact CG-CG2 4.4Å
182I82.2Confident85.6Confident31 Ų3142.8 Ų42.816%0.15923%0.234CC..EExtended strand (participates in β ladder)trans-114.3121.3-177-56.9179.2000108.7P152 F174 P176 T184 T204 G205 A207P152-I182 HydrophobicContact CG-CD1 4.01Å; P152-I182 HydrophobicContact CG-CG2 4.16Å; F174-I182 HydrophobicContact CE2-CB 4.24Å; F174-I182 HydrophobicContact CE2-CD1 4.36Å; F174-I182 HydrophobicContact CE2-CG2 4.21Å; F174-I182 HydrophobicContact CZ-CB 4.13Å; F174-I182 HydrophobicContact CZ-CD1 4.02Å; F174-I182 HydrophobicContact CZ-CG1 4.49Å; P176-I182 HydrophobicContact CB-CD1 4.1Å; I182-T184 HydrophobicContact CG2-CG2 3.92Å; I182-T204 WeakPolarHBondContact O-CA 3.32Å; I182-G205 PolarHBondContact N-O 2.63Å; I182-G205 PolarHBondContact O-N 3.34Å; I182-A207 HydrophobicContact CD1-CB 4.44Å
183K85.4Confident84.6Confident128 Ų12851.7 Ų51.756%0.55727%0.273SS*.EExtended strand (participates in β ladder)trans-119.6116.6173.4-177.7171.8-176.61800109.6Y181 V203 T204Y181-K183 HydrophobicContact CE1-CB 3.84Å; K183-V203 WeakPolarHBondContact CA-O 3.47Å; K183-T204 HydrophobicContact CB-CG2 4.24Å; K183-T204 HydrophobicContact CD-CG2 4.26Å; K183-T204 HydrophobicContact CG-CG2 3.89Å
184T86.2Confident83.5Confident24 Ų2459.3 Ų59.315%0.14731%0.305CS..EExtended strand (participates in β ladder)trans-131.7-179.6179.955.10000109.6L153 I182 V203L153-T184 WeakPolarHBondContact CD1-OG1 3.32Å; I182-T184 HydrophobicContact CG2-CG2 3.92Å; T184-V203 PolarHBondContact N-O 3.33Å; T184-V203 PolarHBondContact O-N 2.94Å; T184-V203 VanDerWaalsContact O-O 3.06Å
185N86.6Confident82.6Confident49 Ų4962.7 Ų62.726%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-138.9150.5179.555.18.4000111.9R200 M201N185-R200 HydrophobicContact CB-CG 4.12Å; N185-R200 PolarHBondContact ND2-NE 3.37Å; N185-M201 CarbonylContact C-O 3.55Å; N185-M201 WeakPolarHBondContact CA-O 3.39Å
186V89.7Confident82.3Confident0 Ų067 Ų670%034%0.336CS..EExtended strand (participates in β ladder)trans-106.2126170.2-175.50000108.1L147 K148 V149 I155 I172 M201 V203L147-V186 HydrophobicContact CB-CG1 4.43Å; L147-V186 HydrophobicContact CD2-CG1 3.89Å; K148-V186 WeakPolarHBondContact O-CA 3.11Å; V149-V186 HydrophobicContact CG1-CB 4.3Å; V149-V186 HydrophobicContact CG1-CG1 4.17Å; V149-V186 HydrophobicContact CG1-CG2 3.61Å; I155-V186 HydrophobicContact CD1-CG1 3.82Å; I155-V186 HydrophobicContact CD1-CG2 4.38Å; I172-V186 HydrophobicContact CD1-CG2 3.7Å; V186-M201 HydrophobicContact CB-CB 4.34Å; V186-M201 HydrophobicContact CB-CE 3.76Å; V186-M201 HydrophobicContact CG1-CE 4.24Å; V186-M201 HydrophobicContact CG2-CE 3.54Å; V186-M201 PolarHBondContact N-O 3.24Å; V186-M201 PolarHBondContact O-N 3.16Å; V186-V203 HydrophobicContact CG2-CG2 3.65Å
187I90.9Very high82.1Confident57 Ų5771.2 Ų71.229%0.29236%0.355SS..EExtended strand (participates in β ladder)trans-105.9115.8178.5-57175.8000108.6L147 K148 I189 M198L147-I187 WeakPolarHBondContact CA-O 3.42Å; K148-I187 HydrophobicContact CB-CB 4.48Å; K148-I187 PolarHBondContact N-O 2.89Å; K148-I187 PolarHBondContact O-N 3.15Å; K148-I187 VanDerWaalsContact O-N 3.09Å; I187-I189 HydrophobicContact CG2-CG1 4.2Å; I187-M198 HydrophobicContact CG2-CB 4.46Å
188C90.5Very high82.5Confident1 Ų174 Ų741%0.00736%0.362CS..EExtended strand (participates in β ladder)trans-96.8115.3173.7-175.50000110.3L114 L147 M198 K199L114-C188 HydrophobicContact CD1-CB 4.46Å; L114-C188 HydrophobicContact CD2-CB 3.77Å; L147-C188 HydrophobicContact CD2-CB 3.53Å; C188-M198 CarbonylContact O-C 3.56Å; C188-M198 VanDerWaalsContact O-CA 3.3Å; C188-M198 WeakPolarHBondContact O-CA 3.5Å; C188-K199 PolarHBondContact N-O 3.41Å; C188-K199 PolarHBondContact O-N 3.18Å
189I89.7Confident83Confident40 Ų4073.3 Ų73.321%0.20535%0.352CS..EExtended strand (participates in β ladder)trans-101.6121.5175.5-57.6172.2000107.7F145 K146 K148 I187 R196 K197F145-I189 CarbonylContact C-O 3.6Å; F145-I189 WeakPolarHBondContact CA-O 3.48Å; K146-I189 PolarHBondContact N-O 2.8Å; K146-I189 PolarHBondContact O-N 3.26Å; K148-I189 HydrophobicContact CD-CD1 4.35Å; I187-I189 HydrophobicContact CG2-CG1 4.2Å; I189-R196 HydrophobicContact CG2-CB 4.23Å; I189-R196 HydrophobicContact CG2-CG 4.4Å; I189-K197 CarbonylContact C-O 3.55Å; I189-K197 WeakPolarHBondContact CA-O 3.47Å
190F90.4Very high83.6Confident9 Ų976.5 Ų76.54%0.03936%0.355CS..EExtended strand (participates in β ladder)trans-137.8158.8-177.265-84.6000112.7V112 D144 F145 K197 K199V112-F190 HydrophobicContact CB-CD1 4.15Å; V112-F190 HydrophobicContact CB-CD2 4.04Å; V112-F190 HydrophobicContact CB-CE1 4.3Å; V112-F190 HydrophobicContact CB-CE2 4.19Å; V112-F190 HydrophobicContact CB-CG 4.02Å; V112-F190 HydrophobicContact CB-CZ 4.31Å; V112-F190 HydrophobicContact CG2-CB 3.95Å; V112-F190 HydrophobicContact CG2-CD1 4.24Å; V112-F190 HydrophobicContact CG2-CD2 3.47Å; V112-F190 VanDerWaalsContact CG2-CD2 3.47Å; V112-F190 HydrophobicContact CG2-CE2 4Å; V112-F190 HydrophobicContact CG2-CG 3.61Å; D144-F190 CarbonylContact O-C 3.59Å; D144-F190 WeakPolarHBondContact O-CA 3.32Å; F145-F190 HydrophobicContact CB-CB 4.18Å; F190-K197 HydrophobicContact CD2-CB 4.46Å; F190-K197 HydrophobicContact CE1-CB 4.13Å; F190-K197 HydrophobicContact CE2-CB 3.96Å; F190-K197 HydrophobicContact CE2-CD 4.25Å; F190-K197 HydrophobicContact CZ-CB 3.78Å; F190-K197 HydrophobicContact CZ-CD 4.34Å; F190-K197 PolarHBondContact N-O 3.5Å; F190-K197 PolarHBondContact O-N 3.25Å; F190-K199 HydrophobicContact CE1-CB 4.05Å
191G82.4Confident84Confident0 Ų074.9 Ų74.90%034%0.337CS..EExtended strand (participates in β ladder)trans125.2178.1-177.700000112.4T143 D144 R196T143-G191 WeakPolarHBondContact OG1-CA 3.44Å; T143-G191 PolarHBondContact OG1-N 2.69Å; D144-G191 PolarHBondContact O-N 3.27Å; D144-G191 VanDerWaalsContact O-N 3.13Å; G191-R196 PolarHBondContact O-NH1 3.44Å
192D76.6Confident84.2Confident54 Ų5469.6 Ų69.629%0.28932%0.319SS..  trans-73.7177171.493-28.1000111.6Y110 K194 T195 R196Y110-D192 HydrophobicContact CE2-CB 4.39Å; D192-K194 PolarHBondContact O-N 3.08Å; D192-K194 WeakPolarHBondContact OD1-CA 3.01Å; D192-K194 PolarHBondContact OD1-N 3.42Å; D192-T195 PolarHBondContact O-N 3.44Å; D192-T195 WeakPolarHBondContact OD1-CB 3.35Å; D192-T195 PolarHBondContact OD1-N 3.46Å; D192-T195 PolarHBondContact OD1-OG1 2.99Å; D192-R196 WeakPolarHBondContact O-CD 3.27Å
193K70.6Confident84.6Confident187 Ų18768.1 Ų68.181%0.81331%0.312SS*.SBendtrans-61.3-23.5179.3-69.7-173.7178.6-178.50113.7
194K69.7Low84.8Confident194 Ų19462.5 Ų62.584%0.84329%0.288SS*.SBendtrans-95.5-23.6-178.3-64.7-175.4178.4-177.80113.4D192D192-K194 PolarHBondContact O-N 3.08Å; D192-K194 WeakPolarHBondContact OD1-CA 3.01Å; D192-K194 PolarHBondContact OD1-N 3.42Å
195T70.9Confident84.9Confident71 Ų7161.3 Ų61.344%0.43628%0.281SS..SBendtrans-131.257.6-169.257.30000111.7Y110 D192 K197Y110-T195 WeakPolarHBondContact CD2-OG1 3.34Å; Y110-T195 WeakPolarHBondContact CE2-OG1 3.38Å; D192-T195 PolarHBondContact O-N 3.44Å; D192-T195 WeakPolarHBondContact OD1-CB 3.35Å; D192-T195 PolarHBondContact OD1-N 3.46Å; D192-T195 PolarHBondContact OD1-OG1 2.99Å; T195-K197 PolarHBondContact O-N 3.24Å
196R79.4Confident84.7Confident118 Ų11861.4 Ų61.445%0.44528%0.283SS..  trans-70.6127.6176-68.4-62.9-163.5168.4-1111.1D144 I189 G191 D192D144-R196 PolarHBondContact O-NH1 3.22Å; I189-R196 HydrophobicContact CG2-CB 4.23Å; I189-R196 HydrophobicContact CG2-CG 4.4Å; G191-R196 PolarHBondContact O-NH1 3.44Å; D192-R196 WeakPolarHBondContact O-CD 3.27Å
197K80.7Confident84.4Confident88 Ų8861.7 Ų61.738%0.38329%0.286SS..EExtended strand (participates in β ladder)trans-111.3158.5168.5-68.3-171.9178.3-179.10110Y110 I189 F190 T195Y110-K197 PolarHBondContact O-NZ 3.06Å; Y110-K197 VanDerWaalsContact O-NZ 3.12Å; I189-K197 CarbonylContact C-O 3.55Å; I189-K197 WeakPolarHBondContact CA-O 3.47Å; F190-K197 HydrophobicContact CD2-CB 4.46Å; F190-K197 HydrophobicContact CE1-CB 4.13Å; F190-K197 HydrophobicContact CE2-CB 3.96Å; F190-K197 HydrophobicContact CE2-CD 4.25Å; F190-K197 HydrophobicContact CZ-CB 3.78Å; F190-K197 HydrophobicContact CZ-CD 4.34Å; F190-K197 PolarHBondContact N-O 3.5Å; F190-K197 PolarHBondContact O-N 3.25Å; T195-K197 PolarHBondContact O-N 3.24Å
198M87.6Confident83.9Confident156 Ų15661.4 Ų61.477%0.76828%0.283SS*.EExtended strand (participates in β ladder)trans-123.8146.8174.668.7174168.900111.9I187 C188I187-M198 HydrophobicContact CG2-CB 4.46Å; C188-M198 CarbonylContact O-C 3.56Å; C188-M198 VanDerWaalsContact O-CA 3.3Å; C188-M198 WeakPolarHBondContact O-CA 3.5Å
199K86.8Confident83.3Confident73 Ų7365 Ų6532%0.31730%0.303SS..EExtended strand (participates in β ladder)trans-136140.4168.8-166170.3-176.9-163.70109.5L114 C188 F190L114-K199 HydrophobicContact CB-CD 3.99Å; L114-K199 HydrophobicContact CB-CG 4.43Å; L114-K199 HydrophobicContact CD2-CB 4.36Å; L114-K199 HydrophobicContact CD2-CG 4.32Å; L114-K199 PolarHBondContact O-NZ 2.77Å; C188-K199 PolarHBondContact N-O 3.41Å; C188-K199 PolarHBondContact O-N 3.18Å; F190-K199 HydrophobicContact CE1-CB 4.05Å
200R90.9Very high82.6Confident141 Ų14164.1 Ų64.153%0.53230%0.298SS..EExtended strand (participates in β ladder)trans-106.4142.8-176.9178178.7164.9176.9-4.9110.5N185 D202N185-R200 HydrophobicContact CB-CG 4.12Å; N185-R200 PolarHBondContact ND2-NE 3.37Å; R200-D202 IonicContact CZ-OD1 3.67Å; R200-D202 IonicContact NE-OD1 3.85Å; R200-D202 PolarHBondContact NE-OD1 3.33Å; R200-D202 IonicContact NH2-OD1 2.73Å; R200-D202 PolarHBondContact NH2-OD1 3.17Å; R200-D202 IonicContact NH2-OD2 3.8Å
201M91.3Very high82.2Confident0 Ų071.1 Ų71.10%032%0.324CS..EExtended strand (participates in β ladder)trans-125.7124.7168.8176.3176.374.400108.2L114 P115 E116 I118 F133 N185 V186 V203L114-M201 HydrophobicContact CD1-SD 4.34Å; L114-M201 HydrophobicContact CD2-CB 3.73Å; L114-M201 HydrophobicContact CG-CB 4.09Å; L114-M201 HydrophobicContact CG-SD 4.42Å; P115-M201 HydrophobicContact CB-SD 3.97Å; P115-M201 HydrophobicContact CG-SD 4.14Å; P115-M201 VanDerWaalsContact O-CB 3.32Å; P115-M201 WeakPolarHBondContact O-CB 3.18Å; P115-M201 VanDerWaalsContact O-CG 3.3Å; P115-M201 WeakPolarHBondContact O-CG 3.03Å; E116-M201 WeakPolarHBondContact O-CA 3.5Å; I118-M201 HydrophobicContact CD1-CE 3.54Å; I118-M201 HydrophobicContact CD1-SD 3.5Å; I118-M201 WeakPolarHBondContact CD1-SD 3.3Å; I118-M201 HydrophobicContact CG1-CE 4.22Å; I118-M201 HydrophobicContact CG1-CG 4.48Å; I118-M201 HydrophobicContact CG1-SD 3.72Å; F133-M201 HydrophobicContact CD1-CE 4.21Å; F133-M201 HydrophobicContact CE1-CE 3.87Å; F133-M201 HydrophobicContact CE2-CE 4.37Å; F133-M201 HydrophobicContact CZ-CE 3.96Å; N185-M201 CarbonylContact C-O 3.55Å; N185-M201 WeakPolarHBondContact CA-O 3.39Å; V186-M201 HydrophobicContact CB-CB 4.34Å; V186-M201 HydrophobicContact CB-CE 3.76Å; V186-M201 HydrophobicContact CG1-CE 4.24Å; V186-M201 HydrophobicContact CG2-CE 3.54Å; V186-M201 PolarHBondContact N-O 3.24Å; V186-M201 PolarHBondContact O-N 3.16Å; M201-V203 HydrophobicContact CE-CG2 4.19Å
202D90.4Very high82.2Confident40 Ų4073.3 Ų73.321%0.21434%0.336CS..EExtended strand (participates in β ladder)trans-78.7142.8175.2-76.6-14.7000110.2E116 N117 I118 R200E116-D202 PolarHBondContact O-N 2.77Å; N117-D202 CarbonylContact C-O 3.5Å; N117-D202 VanDerWaalsContact CA-O 3.22Å; N117-D202 WeakPolarHBondContact CA-O 3.42Å; N117-D202 PolarHBondContact OD1-O 2.84Å; I118-D202 PolarHBondContact N-O 2.99Å; R200-D202 IonicContact CZ-OD1 3.67Å; R200-D202 IonicContact NE-OD1 3.85Å; R200-D202 PolarHBondContact NE-OD1 3.33Å; R200-D202 IonicContact NH2-OD1 2.73Å; R200-D202 PolarHBondContact NH2-OD1 3.17Å; R200-D202 IonicContact NH2-OD2 3.8Å
203V90.9Very high82.5Confident1 Ų174.5 Ų74.51%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-129127.6178-177.70000108.9I118 F120 L153 I172 K183 T184 V186 M201I118-V203 HydrophobicContact CB-CG2 4.41Å; I118-V203 CarbonylContact O-C 3.58Å; I118-V203 VanDerWaalsContact O-CA 3.29Å; I118-V203 WeakPolarHBondContact O-CA 3.43Å; F120-V203 HydrophobicContact CD2-CG1 3.72Å; F120-V203 HydrophobicContact CE2-CG1 3.54Å; L153-V203 HydrophobicContact CD1-CB 3.84Å; L153-V203 HydrophobicContact CD1-CG1 3.77Å; L153-V203 HydrophobicContact CD1-CG2 4.12Å; L153-V203 HydrophobicContact CD2-CG1 3.8Å; L153-V203 HydrophobicContact CG-CG1 4.4Å; I172-V203 HydrophobicContact CD1-CG2 4.27Å; K183-V203 WeakPolarHBondContact CA-O 3.47Å; T184-V203 PolarHBondContact N-O 3.33Å; T184-V203 PolarHBondContact O-N 2.94Å; T184-V203 VanDerWaalsContact O-O 3.06Å; V186-V203 HydrophobicContact CG2-CG2 3.65Å; M201-V203 HydrophobicContact CE-CG2 4.19Å
204T89.6Confident83.1Confident9 Ų966.2 Ų66.26%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-125.7146-178.351.30000110.1I118 N119 F120 Y181 I182 K183I118-T204 PolarHBondContact O-N 3.09Å; N119-T204 CarbonylContact C-O 3.5Å; N119-T204 WeakPolarHBondContact CA-O 3.44Å; N119-T204 PolarHBondContact OD1-O 2.74Å; F120-T204 PolarHBondContact N-O 2.79Å; Y181-T204 VanDerWaalsContact OH-CG2 3.22Å; Y181-T204 WeakPolarHBondContact OH-CG2 3.44Å; I182-T204 WeakPolarHBondContact O-CA 3.32Å; K183-T204 HydrophobicContact CB-CG2 4.24Å; K183-T204 HydrophobicContact CD-CG2 4.26Å; K183-T204 HydrophobicContact CG-CG2 3.89Å
205G86.8Confident83.7Confident0 Ų059.3 Ų59.30%027%0.274CS..EExtended strand (participates in β ladder)trans-163.8148.6175.700000110.8I182I182-G205 PolarHBondContact N-O 2.63Å; I182-G205 PolarHBondContact O-N 3.34Å
206T83.8Confident84.2Confident50 Ų5057.3 Ų57.331%0.30726%0.262SS..EExtended strand (participates in β ladder)trans-110.6117.3176.639.70000109.1G121 P122 V123 Y181G121-T206 VanDerWaalsContact C-OG1 3.27Å; G121-T206 PolarHBondContact O-N 2.96Å; G121-T206 PolarHBondContact O-OG1 3.09Å; P122-T206 CarbonylContact C-O 3.49Å; P122-T206 WeakPolarHBondContact CA-O 3.43Å; P122-T206 VanDerWaalsContact CA-OG1 3.23Å; P122-T206 WeakPolarHBondContact CA-OG1 3.27Å; V123-T206 PolarHBondContact N-O 3.45Å; Y181-T206 HydrophobicContact CD2-CG2 3.59Å; Y181-T206 HydrophobicContact CE2-CG2 4.48Å; Y181-T206 HydrophobicContact CG-CG2 4.4Å
207A82Confident84.1Confident7 Ų754 Ų546%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-89.1121.6173.700000109.6V123 V125 P176 T178 P179 G180 I182V123-A207 CarbonylContact O-C 3.58Å; V123-A207 VanDerWaalsContact O-CA 3.3Å; V123-A207 WeakPolarHBondContact O-CA 3.24Å; V125-A207 HydrophobicContact CG2-CB 4.14Å; P176-A207 HydrophobicContact CB-CB 3.55Å; P176-A207 HydrophobicContact CG-CB 3.8Å; T178-A207 VanDerWaalsContact O-CB 3.25Å; T178-A207 WeakPolarHBondContact O-CB 3.39Å; P179-A207 CarbonylContact C-O 3.6Å; P179-A207 WeakPolarHBondContact CA-O 3.49Å; G180-A207 PolarHBondContact N-O 3.12Å; G180-A207 PolarHBondContact O-N 3.12Å; I182-A207 HydrophobicContact CD1-CB 4.44Å
208E80Confident83.3Confident50 Ų5055.3 Ų55.323%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-122.4138-177.7-157.3176.5150.300109.7V123 A124 V125 S254 N255 V256V123-E208 PolarHBondContact O-N 2.87Å; A124-E208 WeakPolarHBondContact CA-O 3.43Å; V125-E208 PolarHBondContact N-O 3.49Å; V125-E208 VanDerWaalsContact N-O 3.08Å; E208-S254 VanDerWaalsContact OE1-CA 3.24Å; E208-S254 WeakPolarHBondContact OE1-CA 3.37Å; E208-S254 WeakPolarHBondContact OE1-CB 3.39Å; E208-N255 PolarHBondContact OE1-N 3.45Å; E208-N255 WeakPolarHBondContact OE2-CB 3.25Å; E208-N255 PolarHBondContact OE2-ND2 2.97Å; E208-V256 HydrophobicContact CB-CG1 4.21Å; E208-V256 HydrophobicContact CB-CG2 4.39Å
209N79.1Confident81.7Confident78 Ų7850.8 Ų50.842%0.41725%0.247SC..  trans-78.2146.6167.7-73.5-23.8000108.5V125V125-N209 WeakPolarHBondContact CB-OD1 3.3Å; V125-N209 WeakPolarHBondContact CG2-OD1 3.43Å
210D73.9Confident79.7Confident20 Ų2053.8 Ų53.811%0.10727%0.272CS..  trans-65.9145.9169.960.2-8.8000110.8S258 S315 S318D210-S258 PolarHBondContact OD2-OG 3Å; D210-S315 WeakPolarHBondContact OD2-CB 3.2Å; D210-S315 PolarHBondContact OD2-OG 3.36Å; D210-S318 WeakPolarHBondContact OD1-CB 3.19Å; D210-S318 PolarHBondContact OD1-OG 3.49Å
211R81.9Confident77.4Confident156 Ų15651.1 Ų51.159%0.58927%0.271SS*.  trans-131.587.5179.5-173.6169.758.4149-1108.6Y253R211-Y253 PolarHBondContact NH2-O 3.38Å; R211-Y253 PolarHBondContact O-N 2.84Å
212L82.6Confident75.1Confident46 Ų4656.4 Ų56.424%0.24131%0.308CS..EExtended strand (participates in β ladder)trans-90.4131.2179.6-61.9179.1000110.2V250 E251 N252 S258 I260L212-V250 HydrophobicContact CD2-CG1 4.05Å; L212-E251 CarbonylContact C-O 3.6Å; L212-E251 WeakPolarHBondContact CA-O 3.31Å; L212-N252 HydrophobicContact CD2-CB 3.82Å; L212-S258 WeakPolarHBondContact CD1-OG 3.21Å; L212-I260 HydrophobicContact CD1-CG2 3.34Å
213H82.9Confident72.7Confident80 Ų8063 Ų6337%0.3734%0.338SS..EExtended strand (participates in β ladder)trans-114.8122.9168.3-170.4-110.5000108F215 E251 Y253H213-F215 AromaticContact CE1-CD1 3.62Å; H213-F215 AromaticContact ND1-CD1 3.18Å; H213-F215 WeakPolarHBondContact ND1-CD1 3.46Å; H213-F215 AromaticContact ND1-CE1 3.51Å; H213-E251 PolarHBondContact N-O 2.77Å; H213-E251 PolarHBondContact O-N 2.75Å; H213-Y253 HydrophobicContact CB-CD2 3.95Å; H213-Y253 HydrophobicContact CB-CE2 3.66Å
214I84.5Confident70.3Confident12 Ų1266.6 Ų66.66%0.06236%0.363CS..EExtended strand (participates in β ladder)trans-119.7122.3-173-56.2168.9000108.1V231 I248 V249 V250 I313 T322I214-V231 HydrophobicContact CB-CG2 4.37Å; I214-V231 HydrophobicContact CG2-CG2 4.08Å; I214-V231 WeakPolarHBondContact O-CG2 3.47Å; I214-I248 HydrophobicContact CG2-CB 4.44Å; I214-I248 HydrophobicContact CG2-CD1 4.02Å; I214-V249 WeakPolarHBondContact CA-O 3.21Å; I214-V250 HydrophobicContact CG1-CG1 4.1Å; I214-V250 HydrophobicContact CG1-CG2 4.21Å; I214-V250 HydrophobicContact CG2-CG2 4.34Å; I214-I313 HydrophobicContact CD1-CB 4.29Å; I214-I313 HydrophobicContact CD1-CD1 4.01Å; I214-I313 HydrophobicContact CD1-CG2 4.03Å; I214-I313 HydrophobicContact CG2-CD1 4.37Å; I214-T322 HydrophobicContact CB-CG2 4.49Å; I214-T322 HydrophobicContact CD1-CG2 4.17Å
215F82.7Confident67.6Low50 Ų5070 Ų7022%0.21939%0.392CS..EExtended strand (participates in β ladder)trans-148.5155.8-178.558.5-85.9000111H213 V249 E251H213-F215 AromaticContact CE1-CD1 3.62Å; H213-F215 AromaticContact ND1-CD1 3.18Å; H213-F215 WeakPolarHBondContact ND1-CD1 3.46Å; H213-F215 AromaticContact ND1-CE1 3.51Å; F215-V249 HydrophobicContact CD2-CB 4.3Å; F215-V249 HydrophobicContact CE1-CB 4.25Å; F215-V249 HydrophobicContact CE1-CG1 4.32Å; F215-V249 HydrophobicContact CE2-CB 3.88Å; F215-V249 HydrophobicContact CE2-CG1 4.36Å; F215-V249 HydrophobicContact CE2-CG2 4.03Å; F215-V249 HydrophobicContact CZ-CB 3.87Å; F215-V249 HydrophobicContact CZ-CG1 3.92Å; F215-V249 HydrophobicContact CZ-CG2 4.42Å; F215-V249 PolarHBondContact N-O 2.9Å; F215-V249 VanDerWaalsContact N-O 3.08Å; F215-V249 PolarHBondContact O-N 3.23Å; F215-E251 HydrophobicContact CE1-CB 4.42Å; F215-E251 HydrophobicContact CE1-CG 3.61Å; F215-E251 HydrophobicContact CZ-CG 3.93Å
216P81.2Confident65.2Low28 Ų2877.8 Ų77.818%0.18243%0.434CS..EExtended strand (participates in β ladder)trans-74.5148.1177.631.8-33.3000110.9N218 V219 L233P216-N218 VanDerWaalsContact C-N 3.27Å; P216-N218 PolarHBondContact O-N 2.94Å; P216-V219 HydrophobicContact CG-CB 4.18Å; P216-V219 HydrophobicContact CG-CG2 3.6Å; P216-L233 HydrophobicContact CB-CD2 4.07Å
217V77.6Confident63Low49 Ų4979.3 Ų79.330%0.29745%0.447SS..THydrogen-bonded Turntrans-59.7-35.3-177.6170.80000112.9V219 T247 V249V217-V219 VanDerWaalsContact C-N 3.34Å; V217-V219 PolarHBondContact O-N 2.9Å; V217-T247 VanDerWaalsContact CG2-OG1 3.22Å; V217-T247 WeakPolarHBondContact CG2-OG1 3.36Å; V217-T247 PolarHBondContact N-O 2.91Å; V217-T247 VanDerWaalsContact N-O 3.17Å; V217-V249 HydrophobicContact CB-CG2 4.41Å; V217-V249 HydrophobicContact CG2-CG2 3.42Å; V217-V249 VanDerWaalsContact CG2-CG2 3.42Å
218N62Low61.4Low116 Ų11681.1 Ų81.162%0.6247%0.466SS*.THydrogen-bonded Turntrans-86.47.2-169.2-67.4-18.2000115P216P216-N218 VanDerWaalsContact C-N 3.27Å; P216-N218 PolarHBondContact O-N 2.94Å
219V55.3Low60.6Low60 Ų6082.6 Ų82.636%0.36448%0.482SS..  trans-100.8103.7175.6176.60000109.4P216 V217P216-V219 HydrophobicContact CG-CB 4.18Å; P216-V219 HydrophobicContact CG-CG2 3.6Å; V217-V219 VanDerWaalsContact C-N 3.34Å; V217-V219 PolarHBondContact O-N 2.9Å
220T44.3Very low60.4Low137 Ų13781.5 Ų81.584%0.8448%0.478SS*.  trans-98.89.9177.3470000113.8
221T41.8Very low60.8Low84 Ų8481 Ų8152%0.51548%0.476SS..SBendtrans-123.8134.9-171.5470000113.7E223T221-E223 PolarHBondContact O-N 2.84Å
222S43.6Very low61Low111 Ų11179.3 Ų79.378%0.77647%0.472SS*.G310 helixtrans-591.8177.548.50000115.8A225S222-A225 WeakPolarHBondContact O-CB 3.19Å
223E39.9Very low61.1Low178 Ų17877.2 Ų77.283%0.83246%0.462SS*.G310 helixtrans-85.4-15.5-176.1-66.5-175.8162.900113.2T221 A225T221-E223 PolarHBondContact O-N 2.84Å; E223-A225 VanDerWaalsContact C-N 3.28Å; E223-A225 PolarHBondContact O-N 3.01Å
224S40.1Very low61.3Low77 Ų7777.2 Ų77.254%0.53847%0.471SS..G310 helixtrans-93.223.1172.2-36.50000112.5N226S224-N226 PolarHBondContact O-N 3.28Å; S224-N226 VanDerWaalsContact O-N 3.15Å
225A34.4Very low61.4Low81 Ų8176.8 Ų76.867%0.66947%0.468SS*.  trans-66.6-10.6-178.600000113.5S222 E223 S227S222-A225 WeakPolarHBondContact O-CB 3.19Å; E223-A225 VanDerWaalsContact C-N 3.28Å; E223-A225 PolarHBondContact O-N 3.01Å; A225-S227 PolarHBondContact O-N 3.02Å
226N35.5Very low61.2Low163 Ų16380 Ų8087%0.87249%0.488SS*.  trans-76.877.9162-80.41000108.8S224 G228S224-N226 PolarHBondContact O-N 3.28Å; S224-N226 VanDerWaalsContact O-N 3.15Å; N226-G228 PolarHBondContact O-N 3.2Å
227S37.4Very low61.1Low83 Ų8382.9 Ų82.958%0.5850%0.502SS*.  trans-62.479163.6-1740000108.1A225A225-S227 PolarHBondContact O-N 3.02Å
228G48.2Very low61.2Low44 Ų4481.1 Ų81.145%0.45449%0.491SS..  trans-57.6156155.800000108N226 V230N226-G228 PolarHBondContact O-N 3.2Å; G228-V230 PolarHBondContact O-N 2.92Å
229S63.9Low61.6Low82 Ų8275.9 Ų75.957%0.57346%0.464SS*.SBendtrans-61.17.4178.9-57.70000114.7M323S229-M323 PolarHBondContact O-N 3.01Å
230V74.3Confident62.1Low55 Ų5574.8 Ų74.833%0.33346%0.457SS..EExtended strand (participates in β ladder)trans-123.6122.9-175.7-169.80000111G228 F232 M323 K325G228-V230 PolarHBondContact O-N 2.92Å; V230-F232 HydrophobicContact CB-CE2 4.45Å; V230-F232 HydrophobicContact CG1-CE2 4.27Å; V230-F232 HydrophobicContact CG1-CZ 4.32Å; V230-M323 CarbonylContact C-O 3.52Å; V230-M323 VanDerWaalsContact CA-O 3.26Å; V230-M323 WeakPolarHBondContact CA-O 3.36Å; V230-M323 HydrophobicContact CG1-CB 4.39Å; V230-M323 HydrophobicContact CG2-CB 4.16Å; V230-K325 HydrophobicContact CG1-CB 3.97Å
231V82.5Confident63Low10 Ų1071.4 Ų71.46%0.06145%0.449CS..EExtended strand (participates in β ladder)trans-99.9130.9174177.10000109.4I214 I248 T322 M323 I324 K325I214-V231 HydrophobicContact CB-CG2 4.37Å; I214-V231 HydrophobicContact CG2-CG2 4.08Å; I214-V231 WeakPolarHBondContact O-CG2 3.47Å; V231-I248 HydrophobicContact CG1-CG2 4.24Å; V231-T322 HydrophobicContact CG2-CG2 3.88Å; V231-M323 PolarHBondContact N-O 2.93Å; V231-I324 CarbonylContact O-C 3.59Å; V231-I324 VanDerWaalsContact O-CA 3.29Å; V231-I324 WeakPolarHBondContact O-CA 3.09Å; V231-K325 PolarHBondContact O-N 3.21Å
232F85.4Confident64.5Low119 Ų11975 Ų7552%0.52245%0.453SS..EExtended strand (participates in β ladder)trans-98.7128.5-177.8-64.9-99.2000111.3V230 K325 I327V230-F232 HydrophobicContact CB-CE2 4.45Å; V230-F232 HydrophobicContact CG1-CE2 4.27Å; V230-F232 HydrophobicContact CG1-CZ 4.32Å; F232-K325 HydrophobicContact CD1-CB 4.16Å; F232-K325 HydrophobicContact CD1-CD 3.93Å; F232-K325 HydrophobicContact CD1-CG 4.36Å; F232-K325 HydrophobicContact CE1-CB 4.45Å; F232-K325 HydrophobicContact CE1-CD 3.64Å; F232-I327 HydrophobicContact CD1-CD1 4.49Å
233L85.9Confident66.4Low3 Ų372.7 Ų72.72%0.01644%0.437CS..EExtended strand (participates in β ladder)trans-115.7104.8169.5-70-179.5000108.9P216 F235 E246 I248 F296 I324 K325 C326 I327P216-L233 HydrophobicContact CB-CD2 4.07Å; L233-F235 HydrophobicContact CB-CE2 4.27Å; L233-E246 HydrophobicContact CD2-CB 4.31Å; L233-I248 HydrophobicContact CD1-CG2 3.92Å; L233-I248 HydrophobicContact CD2-CG2 3.74Å; L233-I248 HydrophobicContact CG-CG2 4.06Å; L233-F296 HydrophobicContact CD1-CB 4.14Å; L233-F296 HydrophobicContact CD1-CD2 3.51Å; L233-F296 HydrophobicContact CD1-CE2 4.14Å; L233-F296 HydrophobicContact CD1-CG 3.91Å; L233-I324 HydrophobicContact CD1-CG2 3.66Å; L233-I324 HydrophobicContact CG-CG2 3.88Å; L233-K325 PolarHBondContact N-O 3.04Å; L233-C326 CarbonylContact O-C 3.59Å; L233-C326 WeakPolarHBondContact O-CA 3.26Å; L233-I327 PolarHBondContact O-N 3.38Å
234S85.6Confident68.5Low80 Ų8065.5 Ų65.556%0.55941%0.407SS*.EExtended strand (participates in β ladder)trans-96.7116.8173.9-1740000109.1
235F87.3Confident70.8Confident3 Ų367.2 Ų67.21%0.01341%0.406CS..PPolyproline II helixtrans-83.4146.3172.6-65.1-100.6000109.7L233 E246 F277 F296 Y298 C326 I327L233-F235 HydrophobicContact CB-CE2 4.27Å; F235-E246 HydrophobicContact CD1-CB 4.1Å; F235-E246 HydrophobicContact CD1-CG 3.82Å; F235-E246 HydrophobicContact CE1-CB 3.75Å; F235-E246 HydrophobicContact CE1-CG 4.01Å; F235-E246 HydrophobicContact CE2-CB 4.47Å; F235-E246 HydrophobicContact CG-CG 4.18Å; F235-E246 HydrophobicContact CZ-CB 3.95Å; F235-E246 HydrophobicContact CZ-CG 4.49Å; F235-F277 HydrophobicContact CD2-CD1 4.3Å; F235-F277 AromaticContact CD2-CE1 3.74Å; F235-F277 HydrophobicContact CD2-CE1 3.74Å; F235-F277 AromaticContact CE2-CD1 3.79Å; F235-F277 HydrophobicContact CE2-CD1 3.79Å; F235-F277 AromaticContact CE2-CE1 3.68Å; F235-F277 HydrophobicContact CE2-CE1 3.68Å; F235-F277 HydrophobicContact CZ-CD1 4.21Å; F235-F277 HydrophobicContact CZ-CE1 4.46Å; F235-F296 WeakPolarHBondContact CE1-O 3.39Å; F235-F296 HydrophobicContact CZ-CB 3.89Å; F235-Y298 HydrophobicContact CB-CD1 3.93Å; F235-Y298 HydrophobicContact CB-CG 4.35Å; F235-Y298 VanDerWaalsContact CD1-CB 3.41Å; F235-Y298 HydrophobicContact CD1-CG 4.43Å; F235-Y298 HydrophobicContact CG-CD1 4.26Å; F235-Y298 HydrophobicContact CG-CG 4.2Å; F235-C326 HydrophobicContact CE2-CB 4.06Å; F235-I327 WeakPolarHBondContact CD2-O 3.46Å; F235-I327 PolarHBondContact N-O 2.69Å
236D79.9Confident73.4Confident116 Ų11664.8 Ų64.862%0.6238%0.381SS*.PPolyproline II helixtrans-57.6161.7168.9-72.6-29.4000111.9V238D236-V238 VanDerWaalsContact O-CG2 3.23Å; D236-V238 WeakPolarHBondContact O-CG2 3.39Å; D236-V238 PolarHBondContact O-N 2.97Å
237N79.1Confident75.9Confident90 Ų9058.8 Ų58.848%0.48135%0.35SS..  trans-63.2112.3175.7-75.415.5000110.8K329 K331N237-K329 CarbonylContact C-O 3.47Å; N237-K329 VanDerWaalsContact CA-O 3.3Å; N237-K329 WeakPolarHBondContact CA-O 3.26Å; N237-K329 WeakPolarHBondContact OD1-CB 3.41Å; N237-K331 HydrophobicContact CB-CG 3.77Å; N237-K331 VanDerWaalsContact O-CE 3.23Å; N237-K331 WeakPolarHBondContact O-CE 3.36Å
238V78.8Confident78.4Confident11 Ų1154.9 Ų54.97%0.06732%0.323CS..EExtended strand (participates in β ladder)trans-102.4132.2-175.9-173.60000110.9D236 R242 Y298 P300 K329 S330 K331D236-V238 VanDerWaalsContact O-CG2 3.23Å; D236-V238 WeakPolarHBondContact O-CG2 3.39Å; D236-V238 PolarHBondContact O-N 2.97Å; V238-R242 HydrophobicContact CG1-CB 4.02Å; V238-R242 WeakPolarHBondContact CG1-O 3.41Å; V238-Y298 HydrophobicContact CB-CD1 4.05Å; V238-Y298 HydrophobicContact CB-CE1 3.99Å; V238-Y298 HydrophobicContact CG2-CD1 3.6Å; V238-Y298 HydrophobicContact CG2-CE1 3.95Å; V238-P300 HydrophobicContact CB-CG 3.8Å; V238-P300 HydrophobicContact CG1-CG 3.87Å; V238-P300 WeakPolarHBondContact O-CG 3.27Å; V238-K329 PolarHBondContact N-O 2.82Å; V238-S330 CarbonylContact O-C 3.47Å; V238-S330 WeakPolarHBondContact O-CA 3.18Å; V238-S330 PolarHBondContact O-OG 3.14Å; V238-K331 PolarHBondContact O-N 2.95Å
239S70.9Confident80.2Confident7 Ų753 Ų535%0.04930%0.303CS..EExtended strand (participates in β ladder)trans-68.2140.3172-51.70000111.1G241 R242S239-G241 PolarHBondContact O-N 2.81Å; S239-R242 PolarHBondContact O-N 3.21Å
240T65.9Low81.3Confident37 Ų3749.1 Ų49.123%0.22728%0.275CS..THydrogen-bonded Turntrans-48.8131.8176.3-450000111.7R242 R301 P303 S330T240-R242 VanDerWaalsContact C-N 3.32Å; T240-R242 PolarHBondContact O-N 2.65Å; T240-R301 VanDerWaalsContact CG2-C 3.49Å; T240-R301 WeakPolarHBondContact CG2-O 3.15Å; T240-P303 WeakPolarHBondContact OG1-CA 3.36Å; T240-S330 PolarHBondContact OG1-OG 3.34Å
241G62.3Low81.8Confident65 Ų6547.9 Ų47.967%0.6727%0.266SS*.THydrogen-bonded Turntrans83.7-10.8-177.600000116.1S239 P300S239-G241 PolarHBondContact O-N 2.81Å; G241-P300 PolarHBondContact N-O 2.95Å
242R74.6Confident82Confident160 Ų16047.6 Ų47.660%0.60426%0.264SS*.  trans-94168.5166.2-69-166.8177.4-177.32.3110.7V238 S239 T240V238-R242 HydrophobicContact CG1-CB 4.02Å; V238-R242 WeakPolarHBondContact CG1-O 3.41Å; S239-R242 PolarHBondContact O-N 3.21Å; T240-R242 VanDerWaalsContact C-N 3.32Å; T240-R242 PolarHBondContact O-N 2.65Å
243S81.8Confident81.9Confident63 Ų6346.6 Ų46.644%0.44126%0.257SS..  trans-128.5146.1177.5-53.90000111.3Y298 T299S243-Y298 CarbonylContact C-O 3.13Å; S243-Y298 WeakPolarHBondContact CA-O 3.42Å; S243-T299 WeakPolarHBondContact CB-OG1 3.42Å; S243-T299 PolarHBondContact OG-OG1 3.35Å
244S85.1Confident81.7Confident27 Ų2746.5 Ų46.519%0.18926%0.257CS..EExtended strand (participates in β ladder)trans-120.1154.8169.8-175.10000110.4T297 Y298S244-T297 CarbonylContact O-C 3.55Å; S244-T297 VanDerWaalsContact O-CA 3.26Å; S244-T297 WeakPolarHBondContact O-CA 3.28Å; S244-T297 WeakPolarHBondContact O-CG2 3.39Å; S244-Y298 PolarHBondContact N-O 3.05Å; S244-Y298 PolarHBondContact O-N 2.91Å
245Q87.5Confident81.4Confident112 Ų11247 Ų4752%0.52325%0.253SS..EExtended strand (participates in β ladder)trans-125.4136.6-178.9-70.2-171.8-21.200111.3F296 T297Q245-F296 CarbonylContact C-O 3.44Å; Q245-F296 VanDerWaalsContact CA-O 3.26Å; Q245-F296 WeakPolarHBondContact CA-O 3.43Å; Q245-T297 HydrophobicContact CG-CG2 3.95Å; Q245-T297 WeakPolarHBondContact CG-OG1 3.3Å; Q245-T297 PolarHBondContact NE2-OG1 3.43Å
246E89.3Confident81.2Confident31 Ų3147.2 Ų47.215%0.14526%0.255CS..EExtended strand (participates in β ladder)trans-129.3154.7173-80.3-61.5162.600110.1L233 F235 S295 F296L233-E246 HydrophobicContact CD2-CB 4.31Å; F235-E246 HydrophobicContact CD1-CB 4.1Å; F235-E246 HydrophobicContact CD1-CG 3.82Å; F235-E246 HydrophobicContact CE1-CB 3.75Å; F235-E246 HydrophobicContact CE1-CG 4.01Å; F235-E246 HydrophobicContact CE2-CB 4.47Å; F235-E246 HydrophobicContact CG-CG 4.18Å; F235-E246 HydrophobicContact CZ-CB 3.95Å; F235-E246 HydrophobicContact CZ-CG 4.49Å; E246-S295 CarbonylContact O-C 3.45Å; E246-S295 WeakPolarHBondContact O-CA 3.5Å; E246-F296 PolarHBondContact N-O 2.64Å; E246-F296 PolarHBondContact O-N 3.24Å
247T89.1Confident81.3Confident37 Ų3746.2 Ų46.223%0.22725%0.249CC..EExtended strand (participates in β ladder)trans-131143.3-173.1490000113.3V217 I294V217-T247 VanDerWaalsContact CG2-OG1 3.22Å; V217-T247 WeakPolarHBondContact CG2-OG1 3.36Å; V217-T247 PolarHBondContact N-O 2.91Å; V217-T247 VanDerWaalsContact N-O 3.17Å; T247-I294 VanDerWaalsContact CA-O 3.29Å; T247-I294 WeakPolarHBondContact CA-O 3.35Å
248I88.5Confident81.5Confident0 Ų041.9 Ų41.90%023%0.226CC..EExtended strand (participates in β ladder)trans-102151166.661.1171.8000110I214 V231 L233 V250 Q293 I294 F296 I313 I324I214-I248 HydrophobicContact CG2-CB 4.44Å; I214-I248 HydrophobicContact CG2-CD1 4.02Å; V231-I248 HydrophobicContact CG1-CG2 4.24Å; L233-I248 HydrophobicContact CD1-CG2 3.92Å; L233-I248 HydrophobicContact CD2-CG2 3.74Å; L233-I248 HydrophobicContact CG-CG2 4.06Å; I248-V250 HydrophobicContact CD1-CG2 4.05Å; I248-V250 HydrophobicContact CG1-CG2 4.45Å; I248-Q293 VanDerWaalsContact O-CA 3.29Å; I248-Q293 WeakPolarHBondContact O-CA 3.47Å; I248-I294 HydrophobicContact CD1-CB 4.27Å; I248-I294 HydrophobicContact CD1-CD1 4.47Å; I248-I294 HydrophobicContact CG1-CB 3.89Å; I248-I294 PolarHBondContact N-O 3.45Å; I248-I294 PolarHBondContact O-N 3.46Å; I248-F296 HydrophobicContact CD1-CE2 3.93Å; I248-F296 HydrophobicContact CG1-CE2 4.04Å; I248-I313 HydrophobicContact CD1-CD1 3.54Å; I248-I324 HydrophobicContact CD1-CD1 3.63Å; I248-I324 HydrophobicContact CG2-CD1 4.45Å
249V86.7Confident81.8Confident6 Ų642.8 Ų42.84%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-102.2128.4166.1-170.20000108I214 F215 V217 E251 R291 S292 Q293I214-V249 WeakPolarHBondContact CA-O 3.21Å; F215-V249 HydrophobicContact CD2-CB 4.3Å; F215-V249 HydrophobicContact CE1-CB 4.25Å; F215-V249 HydrophobicContact CE1-CG1 4.32Å; F215-V249 HydrophobicContact CE2-CB 3.88Å; F215-V249 HydrophobicContact CE2-CG1 4.36Å; F215-V249 HydrophobicContact CE2-CG2 4.03Å; F215-V249 HydrophobicContact CZ-CB 3.87Å; F215-V249 HydrophobicContact CZ-CG1 3.92Å; F215-V249 HydrophobicContact CZ-CG2 4.42Å; F215-V249 PolarHBondContact N-O 2.9Å; F215-V249 VanDerWaalsContact N-O 3.08Å; F215-V249 PolarHBondContact O-N 3.23Å; V217-V249 HydrophobicContact CB-CG2 4.41Å; V217-V249 HydrophobicContact CG2-CG2 3.42Å; V217-V249 VanDerWaalsContact CG2-CG2 3.42Å; V249-E251 HydrophobicContact CG1-CG 3.72Å; V249-R291 HydrophobicContact CG1-CB 4.07Å; V249-R291 HydrophobicContact CG1-CG 4.45Å; V249-S292 WeakPolarHBondContact CA-O 3.34Å; V249-Q293 HydrophobicContact CG2-CG 4.3Å
250V87.4Confident82.5Confident0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-109.1109.6170-175.80000107.2L212 I214 I248 I260 I286 R291 S292 I294L212-V250 HydrophobicContact CD2-CG1 4.05Å; I214-V250 HydrophobicContact CG1-CG1 4.1Å; I214-V250 HydrophobicContact CG1-CG2 4.21Å; I214-V250 HydrophobicContact CG2-CG2 4.34Å; I248-V250 HydrophobicContact CD1-CG2 4.05Å; I248-V250 HydrophobicContact CG1-CG2 4.45Å; V250-I260 HydrophobicContact CG1-CD1 4.47Å; V250-I260 HydrophobicContact CG2-CD1 4.27Å; V250-I286 HydrophobicContact CB-CD1 4.16Å; V250-I286 HydrophobicContact CB-CG1 4.44Å; V250-I286 HydrophobicContact CG1-CD1 4.1Å; V250-I286 HydrophobicContact CG1-CG1 3.84Å; V250-R291 CarbonylContact O-C 3.6Å; V250-R291 VanDerWaalsContact O-CA 3.25Å; V250-R291 WeakPolarHBondContact O-CA 3.33Å; V250-S292 PolarHBondContact N-O 3.01Å; V250-S292 PolarHBondContact O-N 2.82Å; V250-I294 HydrophobicContact CG2-CD1 3.96Å
251E85.1Confident83.4Confident29 Ų2944.8 Ų44.814%0.13624%0.238CC..EExtended strand (participates in β ladder)trans-102.3128177-59.5-162.7145.600110.3L212 H213 F215 V249 Y253 R291L212-E251 CarbonylContact C-O 3.6Å; L212-E251 WeakPolarHBondContact CA-O 3.31Å; H213-E251 PolarHBondContact N-O 2.77Å; H213-E251 PolarHBondContact O-N 2.75Å; F215-E251 HydrophobicContact CE1-CB 4.42Å; F215-E251 HydrophobicContact CE1-CG 3.61Å; F215-E251 HydrophobicContact CZ-CG 3.93Å; V249-E251 HydrophobicContact CG1-CG 3.72Å; E251-Y253 HydrophobicContact CB-CD2 4.29Å; E251-Y253 HydrophobicContact CB-CE2 3.76Å; E251-Y253 PolarHBondContact OE2-OH 2.84Å; E251-R291 HydrophobicContact CB-CB 4.32Å; E251-R291 HydrophobicContact CG-CB 3.65Å; E251-R291 WeakPolarHBondContact OE1-CD 3.29Å; E251-R291 IonicContact OE1-NH1 3.07Å
252N86.8Confident84.6Confident3 Ų342.1 Ų42.12%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-102.4105.8176.5-176.72.3000109.9L212 S254 V256 I286 P287 Q289 S290L212-N252 HydrophobicContact CD2-CB 3.82Å; N252-S254 VanDerWaalsContact C-N 3.28Å; N252-S254 PolarHBondContact O-N 2.53Å; N252-S254 WeakPolarHBondContact OD1-CB 3.31Å; N252-S254 PolarHBondContact OD1-N 2.98Å; N252-S254 PolarHBondContact OD1-OG 2.8Å; N252-V256 PolarHBondContact ND2-O 3.38Å; N252-I286 HydrophobicContact CB-CB 4.27Å; N252-I286 HydrophobicContact CB-CG2 3.67Å; N252-I286 PolarHBondContact ND2-O 3.01Å; N252-P287 PolarHBondContact ND2-O 3.05Å; N252-Q289 VanDerWaalsContact O-CA 3.26Å; N252-Q289 WeakPolarHBondContact O-CA 3.46Å; N252-Q289 PolarHBondContact O-N 3.27Å; N252-Q289 VanDerWaalsContact O-N 3.07Å; N252-S290 PolarHBondContact N-O 2.77Å
253Y82.6Confident84.9Confident99 Ų9939.1 Ų39.139%0.38820%0.199SC..  trans-888179.3-73.5-82.6000113.8R211 H213 E251 Q289R211-Y253 PolarHBondContact NH2-O 3.38Å; R211-Y253 PolarHBondContact O-N 2.84Å; H213-Y253 HydrophobicContact CB-CD2 3.95Å; H213-Y253 HydrophobicContact CB-CE2 3.66Å; E251-Y253 HydrophobicContact CB-CD2 4.29Å; E251-Y253 HydrophobicContact CB-CE2 3.76Å; E251-Y253 PolarHBondContact OE2-OH 2.84Å; Y253-Q289 PolarHBondContact O-NE2 3.01Å
254S81.7Confident84.7Confident0 Ų038.1 Ų38.10%019%0.192CC..SBendtrans-96.1161.1173.374.30000110.9E208 N252 V256 G288 Q289E208-S254 VanDerWaalsContact OE1-CA 3.24Å; E208-S254 WeakPolarHBondContact OE1-CA 3.37Å; E208-S254 WeakPolarHBondContact OE1-CB 3.39Å; N252-S254 VanDerWaalsContact C-N 3.28Å; N252-S254 PolarHBondContact O-N 2.53Å; N252-S254 WeakPolarHBondContact OD1-CB 3.31Å; N252-S254 PolarHBondContact OD1-N 2.98Å; N252-S254 PolarHBondContact OD1-OG 2.8Å; S254-V256 PolarHBondContact O-N 3.35Å; S254-V256 WeakPolarHBondContact OG-CG2 3.21Å; S254-V256 PolarHBondContact OG-O 2.65Å; S254-V256 VanDerWaalsContact OG-O 3.04Å; S254-G288 CarbonylContact O-C 3.57Å; S254-G288 WeakPolarHBondContact O-CA 3.31Å; S254-Q289 PolarHBondContact O-N 3.05Å
255N79.8Confident84Confident90 Ų9039.6 Ų39.648%0.48120%0.199SC..SBendtrans-83.24.3175.9-53.8-55000113.2P122 E208 Q289P122-N255 HydrophobicContact CB-CB 4.21Å; P122-N255 HydrophobicContact CG-CB 4.33Å; E208-N255 PolarHBondContact OE1-N 3.45Å; E208-N255 WeakPolarHBondContact OE2-CB 3.25Å; E208-N255 PolarHBondContact OE2-ND2 2.97Å; N255-Q289 PolarHBondContact OD1-NE2 3.19Å; N255-Q289 VanDerWaalsContact OD1-NE2 3.08Å
256V81.7Confident82.6Confident9 Ų934.8 Ų34.86%0.05518%0.178CC..SBendtrans-116.5145.6-176.2-63.60000110.2P122 A124 E208 N252 S254P122-V256 HydrophobicContact CB-CG1 3.98Å; A124-V256 HydrophobicContact CB-CB 4.03Å; A124-V256 HydrophobicContact CB-CG1 4.44Å; A124-V256 HydrophobicContact CB-CG2 3.92Å; E208-V256 HydrophobicContact CB-CG1 4.21Å; E208-V256 HydrophobicContact CB-CG2 4.39Å; N252-V256 PolarHBondContact ND2-O 3.38Å; S254-V256 PolarHBondContact O-N 3.35Å; S254-V256 WeakPolarHBondContact OG-CG2 3.21Å; S254-V256 PolarHBondContact OG-O 2.65Å; S254-V256 VanDerWaalsContact OG-O 3.04Å
257D83.4Confident80.6Confident94 Ų9443.9 Ų43.950%0.50321%0.211SC..  trans-68.6135.3176.3-60.7-14.1000109.9T285 P287 G288D257-T285 HydrophobicContact CB-CG2 4.13Å; D257-P287 VanDerWaalsContact OD1-CA 3.23Å; D257-P287 WeakPolarHBondContact OD1-CA 3.48Å; D257-G288 PolarHBondContact OD1-N 2.99Å
258S83Confident78.5Confident0 Ų048.7 Ų48.70%024%0.235CC..EExtended strand (participates in β ladder)trans-116124.7179.2176.80000110.4D210 L212 T285 I286D210-S258 PolarHBondContact OD2-OG 3Å; L212-S258 WeakPolarHBondContact CD1-OG 3.21Å; S258-T285 CarbonylContact O-C 3.54Å; S258-T285 WeakPolarHBondContact O-CA 3.37Å; S258-I286 PolarHBondContact N-O 2.85Å; S258-I286 PolarHBondContact O-N 3.49Å
259S83.8Confident76.4Confident29 Ų2949.4 Ų49.420%0.20324%0.241CC..EExtended strand (participates in β ladder)trans-95.4127.3174.4-64.30000110.2A284 T285 L316S259-A284 CarbonylContact C-O 3.58Å; S259-A284 WeakPolarHBondContact CA-O 3.38Å; S259-T285 PolarHBondContact OG-OG1 3.12Å; S259-L316 WeakPolarHBondContact O-CB 3.25Å; S259-L316 PolarHBondContact O-N 2.97Å
260I85.8Confident74.1Confident0 Ų051.7 Ų51.70%027%0.266CS..EExtended strand (participates in β ladder)trans-111.5146.3177.759.8168.2000111.2L212 V250 V283 A284 I286 I294 I313 C314L212-I260 HydrophobicContact CD1-CG2 3.34Å; V250-I260 HydrophobicContact CG1-CD1 4.47Å; V250-I260 HydrophobicContact CG2-CD1 4.27Å; I260-V283 WeakPolarHBondContact O-CA 3.47Å; I260-A284 HydrophobicContact CD1-CB 4.23Å; I260-A284 HydrophobicContact CG1-CB 3.9Å; I260-A284 WeakPolarHBondContact CG1-O 2.92Å; I260-A284 PolarHBondContact N-O 2.91Å; I260-A284 PolarHBondContact O-N 3.18Å; I260-I286 HydrophobicContact CD1-CD1 4.22Å; I260-I286 HydrophobicContact CD1-CG1 4.37Å; I260-I286 HydrophobicContact CG1-CG1 4.43Å; I260-I294 HydrophobicContact CD1-CD1 3.69Å; I260-I313 HydrophobicContact CB-CG2 3.81Å; I260-I313 HydrophobicContact CD1-CG2 4.04Å; I260-I313 HydrophobicContact CG1-CG2 4.5Å; I260-I313 HydrophobicContact CG2-CG2 3.94Å; I260-C314 CarbonylContact C-O 3.56Å; I260-C314 WeakPolarHBondContact CA-O 3.45Å
261K86.2Confident72Confident86 Ų8653.2 Ų53.237%0.37427%0.273SS..EExtended strand (participates in β ladder)trans-117.8124.3172.3-171.8166.4-175174.40109.6K263 V283 C314K261-K263 VanDerWaalsContact CD-CE 3.44Å; K261-K263 HydrophobicContact CG-CG 4.14Å; K261-V283 HydrophobicContact CG-CG2 4.2Å; K261-C314 PolarHBondContact N-O 3.24Å; K261-C314 PolarHBondContact O-N 2.95Å
262I86.1Confident70.1Confident9 Ų957.2 Ų57.25%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-100.6119.4-179.9-50.1-178.2000107.7V281 S282 I294 F296 Y311 K312 I313I262-V281 HydrophobicContact CD1-CG1 4.45Å; I262-S282 PolarHBondContact N-O 3.29Å; I262-I294 HydrophobicContact CD1-CD1 3.69Å; I262-I294 HydrophobicContact CD1-CG2 3.79Å; I262-F296 HydrophobicContact CG2-CE1 4.43Å; I262-F296 HydrophobicContact CG2-CZ 4.31Å; I262-Y311 HydrophobicContact CG2-CD1 3.85Å; I262-Y311 HydrophobicContact CG2-CG 4.37Å; I262-K312 WeakPolarHBondContact CA-O 3.45Å; I262-I313 HydrophobicContact CG1-CG1 4.28Å
263K81.6Confident68Low97 Ų9764 Ų6442%0.42233%0.326SS..EExtended strand (participates in β ladder)trans-127.5138.4178.5-62.4179.2-174.7167.50110.4K261 Y311 K312K261-K263 VanDerWaalsContact CD-CE 3.44Å; K261-K263 HydrophobicContact CG-CG 4.14Å; K263-Y311 CarbonylContact O-C 3.6Å; K263-Y311 WeakPolarHBondContact O-CA 3.45Å; K263-K312 PolarHBondContact N-O 2.92Å; K263-K312 PolarHBondContact O-N 3.21Å
264P77Confident66.2Low43 Ų4363.3 Ų63.328%0.27934%0.336SS..EExtended strand (participates in β ladder)trans-64.2140.2165.328.2-32.3000109.4S266 Y311P264-S266 VanDerWaalsContact C-N 3.33Å; P264-Y311 HydrophobicContact CB-CD1 4.29Å; P264-Y311 HydrophobicContact CB-CE1 4.06Å
265V71.2Confident65Low57 Ų5765.7 Ų65.735%0.34535%0.351SS..SBendtrans-79.5-20.8-176.5175.80000111.9Y310 K312 M323 I865V265-Y310 PolarHBondContact N-O 3.32Å; V265-K312 HydrophobicContact CG2-CB 3.72Å; V265-M323 HydrophobicContact CB-CE 4.39Å; V265-M323 HydrophobicContact CG1-CE 4.19Å; V265-M323 HydrophobicContact CG2-CE 3.67Å; V265-M323 HydrophobicContact CG2-SD 3.68Å; V265-I865 HydrophobicContact CG1-CD1 3.99Å
266S58.1Low64.6Low12 Ų1262.3 Ų62.38%0.08433%0.333CS..  trans-118.894.6-173.3-58.70000111.4P264 F271P264-S266 VanDerWaalsContact C-N 3.33Å; S266-F271 WeakPolarHBondContact O-CB 3.38Å
267R46.9Very low64.7Low222 Ų22262 Ų6284%0.83833%0.331SS*.SBendtrans-78.3-27.8158.8-82.9-171.6-173-171.5-0.3112.1
268N45.1Very low64.5Low137 Ų13763 Ų6373%0.73333%0.328SS*.SBendtrans-94.32.4-172.1-62.73.5000113.8
269A43.7Very low64.4Low16 Ų1664 Ų6413%0.13234%0.335CS..SBendtrans-111.828.4178.800000112.2F271 N863A269-F271 VanDerWaalsContact C-N 3.27Å; A269-F271 PolarHBondContact O-N 2.94Å; A269-N863 WeakPolarHBondContact CB-OD1 3.42Å
270G40Very low64Low53 Ų5369.2 Ų69.255%0.54636%0.36SS..SBendtrans73.26.817700000116.2D272G270-D272 PolarHBondContact O-N 2.78Å
271F43.4Very low63.8Low33 Ų3371.7 Ų71.715%0.14538%0.375CS..  trans-77.277.6169.4-76.4-77.5000110.7S266 A269 V276 F277 I308 N863S266-F271 WeakPolarHBondContact O-CB 3.38Å; A269-F271 VanDerWaalsContact C-N 3.27Å; A269-F271 PolarHBondContact O-N 2.94Å; F271-V276 HydrophobicContact CE1-CB 4.36Å; F271-F277 HydrophobicContact CE1-CD2 4.03Å; F271-I308 WeakPolarHBondContact CZ-O 3.38Å; F271-N863 HydrophobicContact CE2-CB 3.8Å; F271-N863 VanDerWaalsContact CE2-CG 3.45Å; F271-N863 VanDerWaalsContact CE2-ND2 3.3Å; F271-N863 WeakPolarHBondContact CE2-ND2 3.41Å; F271-N863 HydrophobicContact CZ-CB 4.42Å
272D44Very low63.5Low112 Ų11271.1 Ų71.160%0.59938%0.382SS*.  trans-64.4142.2152.7-154.424.5000107.4G270 S274 T275G270-D272 PolarHBondContact O-N 2.78Å; D272-S274 WeakPolarHBondContact CB-OG 3.41Å; D272-S274 PolarHBondContact O-N 2.96Å; D272-S274 PolarHBondContact OD2-OG 3.43Å; D272-T275 PolarHBondContact O-N 2.91Å
273E43.2Very low63.4Low145 Ų14574.5 Ų74.568%0.67840%0.403SS*.THydrogen-bonded Turntrans-53.1-10177.2-78.7-176.6161.700113.1
274S44.2Very low63.5Low85 Ų8570.9 Ų70.959%0.59439%0.391SS*.THydrogen-bonded Turntrans-91.4-4.2-169.163.90000116.8D272D272-S274 WeakPolarHBondContact CB-OG 3.41Å; D272-S274 PolarHBondContact O-N 2.96Å; D272-S274 PolarHBondContact OD2-OG 3.43Å
275T57.3Low63.8Low51 Ų5172.5 Ų72.531%0.31340%0.4SS..SBendtrans-116.9-60.7-166.656.80000117.8D272D272-T275 PolarHBondContact O-N 2.91Å
276V71.6Confident64.6Low18 Ų1869.8 Ų69.811%0.10938%0.384CS..SBendtrans-119-55-166.4-172.30000114.3F271 Y298 T299 D307F271-V276 HydrophobicContact CE1-CB 4.36Å; V276-Y298 HydrophobicContact CG1-CD2 3.59Å; V276-Y298 HydrophobicContact CG1-CE2 3.31Å; V276-Y298 CarbonylContact O-C 3.59Å; V276-Y298 VanDerWaalsContact O-CA 3.25Å; V276-Y298 WeakPolarHBondContact O-CA 3.3Å; V276-T299 PolarHBondContact O-N 3.42Å; V276-D307 HydrophobicContact CG1-CB 3.72Å
277F83Confident65.9Low4 Ų472 Ų722%0.01840%0.397CS..EExtended strand (participates in β ladder)trans-114.5134.1173.2-60-79.5000109.5F235 F271 T297 Y298 D307 Y311 C326F235-F277 HydrophobicContact CD2-CD1 4.3Å; F235-F277 AromaticContact CD2-CE1 3.74Å; F235-F277 HydrophobicContact CD2-CE1 3.74Å; F235-F277 AromaticContact CE2-CD1 3.79Å; F235-F277 HydrophobicContact CE2-CD1 3.79Å; F235-F277 AromaticContact CE2-CE1 3.68Å; F235-F277 HydrophobicContact CE2-CE1 3.68Å; F235-F277 HydrophobicContact CZ-CD1 4.21Å; F235-F277 HydrophobicContact CZ-CE1 4.46Å; F271-F277 HydrophobicContact CE1-CD2 4.03Å; F277-T297 CarbonylContact C-O 3.59Å; F277-T297 VanDerWaalsContact CA-O 3.31Å; F277-T297 WeakPolarHBondContact CA-O 3.47Å; F277-Y298 AromaticContact CD1-CD2 3.7Å; F277-Y298 HydrophobicContact CD1-CD2 3.7Å; F277-Y298 HydrophobicContact CD1-CG 4.13Å; F277-Y298 AromaticContact CE1-CD2 3.22Å; F277-Y298 HydrophobicContact CE1-CD2 3.22Å; F277-Y298 AromaticContact CE1-CE2 3.97Å; F277-Y298 HydrophobicContact CE1-CE2 3.97Å; F277-Y298 AromaticContact CE1-CG 3.64Å; F277-Y298 HydrophobicContact CE1-CG 3.64Å; F277-Y298 HydrophobicContact CE2-CD2 4.23Å; F277-Y298 HydrophobicContact CE2-CE2 4.39Å; F277-Y298 HydrophobicContact CG-CD2 4.38Å; F277-Y298 AromaticContact CZ-CD2 3.51Å; F277-Y298 HydrophobicContact CZ-CD2 3.51Å; F277-Y298 AromaticContact CZ-CE2 3.78Å; F277-Y298 HydrophobicContact CZ-CE2 3.78Å; F277-Y298 HydrophobicContact CZ-CG 4.29Å; F277-D307 HydrophobicContact CE2-CB 3.79Å; F277-D307 HydrophobicContact CZ-CB 3.98Å; F277-D307 WeakPolarHBondContact CZ-O 3.41Å; F277-Y311 HydrophobicContact CB-CE2 4.19Å; F277-Y311 PolarHBondContact O-OH 2.95Å; F277-C326 HydrophobicContact CD1-CB 3.66Å; F277-C326 HydrophobicContact CD2-CB 4.31Å; F277-C326 HydrophobicContact CE1-CB 3.73Å; F277-C326 HydrophobicContact CE2-CB 4.39Å; F277-C326 HydrophobicContact CG-CB 3.96Å; F277-C326 HydrophobicContact CZ-CB 4.11Å
278R79.2Confident67.6Low113 Ų11362.3 Ų62.343%0.42637%0.367SS..EExtended strand (participates in β ladder)trans-135.6140.9177.864.5177.3-172.8-168.9-1.6112.1F296 T297 Y311R278-F296 CarbonylContact O-C 3.51Å; R278-F296 WeakPolarHBondContact O-CA 3.34Å; R278-T297 HydrophobicContact CG-CG2 4.42Å; R278-T297 PolarHBondContact N-O 3.05Å; R278-T297 PolarHBondContact O-N 3.14Å; R278-Y311 WeakPolarHBondContact CA-OH 3.45Å
279S80.9Confident69.4Low22 Ų2261.8 Ų61.815%0.15436%0.36CS..EExtended strand (participates in β ladder)trans-112.6134.3163.6171.90000108.2V281 Y311S279-V281 PolarHBondContact O-N 2.9Å; S279-V281 PolarHBondContact OG-N 3.08Å; S279-V281 VanDerWaalsContact OG-N 3.12Å; S279-V281 PolarHBondContact OG-O 2.96Å; S279-Y311 PolarHBondContact N-OH 3.45Å
280L76.6Confident71.5Confident139 Ų13962.8 Ų62.873%0.72837%0.366SS*.SBendtrans-77.6-11.4173.8-66172.9000112.4
281V80.2Confident73.8Confident51 Ų5168.1 Ų68.131%0.30937%0.37SS..  trans-112.3124.6-175.5-175.70000109.8I262 S279 A284 I294I262-V281 HydrophobicContact CD1-CG1 4.45Å; S279-V281 PolarHBondContact O-N 2.9Å; S279-V281 PolarHBondContact OG-N 3.08Å; S279-V281 VanDerWaalsContact OG-N 3.12Å; S279-V281 PolarHBondContact OG-O 2.96Å; V281-A284 HydrophobicContact CG1-CB 3.96Å; V281-I294 HydrophobicContact CB-CG2 4.33Å
282S80.9Confident76Confident75 Ų7568.3 Ų68.352%0.52438%0.376SS..SBendtrans-108.1-28.7177.160.80000113.3I262I262-S282 PolarHBondContact N-O 3.29Å
283V84.3Confident78.1Confident80 Ų8069 Ų6949%0.48538%0.375SS..EExtended strand (participates in β ladder)trans-138.7133.8174-179.10000108.3I260 K261I260-V283 WeakPolarHBondContact O-CA 3.47Å; K261-V283 HydrophobicContact CG-CG2 4.2Å
284A82.8Confident80.3Confident21 Ų2162.3 Ų62.317%0.17434%0.344CS..EExtended strand (participates in β ladder)trans-138.2147.117600000110.6S259 I260 V281 I286S259-A284 CarbonylContact C-O 3.58Å; S259-A284 WeakPolarHBondContact CA-O 3.38Å; I260-A284 HydrophobicContact CD1-CB 4.23Å; I260-A284 HydrophobicContact CG1-CB 3.9Å; I260-A284 WeakPolarHBondContact CG1-O 2.92Å; I260-A284 PolarHBondContact N-O 2.91Å; I260-A284 PolarHBondContact O-N 3.18Å; V281-A284 HydrophobicContact CG1-CB 3.96Å; A284-I286 HydrophobicContact CB-CD1 4.46Å
285T84.4Confident82.4Confident76 Ų7659.9 Ų59.947%0.46633%0.327SS..EExtended strand (participates in β ladder)trans-111.4124.9171.7-60.50000108.6D257 S258 S259 P287D257-T285 HydrophobicContact CB-CG2 4.13Å; S258-T285 CarbonylContact O-C 3.54Å; S258-T285 WeakPolarHBondContact O-CA 3.37Å; S259-T285 PolarHBondContact OG-OG1 3.12Å; T285-P287 WeakPolarHBondContact O-CD 3.42Å
286I86.7Confident83.9Confident0 Ų057.5 Ų57.50%031%0.312CS..EExtended strand (participates in β ladder)trans-103.2108.3-178.6-42.4-63.5000107.7V250 N252 S258 I260 A284V250-I286 HydrophobicContact CB-CD1 4.16Å; V250-I286 HydrophobicContact CB-CG1 4.44Å; V250-I286 HydrophobicContact CG1-CD1 4.1Å; V250-I286 HydrophobicContact CG1-CG1 3.84Å; N252-I286 HydrophobicContact CB-CB 4.27Å; N252-I286 HydrophobicContact CB-CG2 3.67Å; N252-I286 PolarHBondContact ND2-O 3.01Å; S258-I286 PolarHBondContact N-O 2.85Å; S258-I286 PolarHBondContact O-N 3.49Å; I260-I286 HydrophobicContact CD1-CD1 4.22Å; I260-I286 HydrophobicContact CD1-CG1 4.37Å; I260-I286 HydrophobicContact CG1-CG1 4.43Å; A284-I286 HydrophobicContact CB-CD1 4.46Å
287P85.8Confident84.6Confident58 Ų5856.7 Ų56.738%0.37731%0.308SS..  trans-57.9150.4-179.8-22.130.3000112.6N252 D257 T285 S290N252-P287 PolarHBondContact ND2-O 3.05Å; D257-P287 VanDerWaalsContact OD1-CA 3.23Å; D257-P287 WeakPolarHBondContact OD1-CA 3.48Å; T285-P287 WeakPolarHBondContact O-CD 3.42Å; P287-S290 VanDerWaalsContact C-OG 3.32Å; P287-S290 WeakPolarHBondContact CA-OG 3.28Å; P287-S290 WeakPolarHBondContact CB-OG 3.41Å; P287-S290 VanDerWaalsContact CD-OG 3.24Å; P287-S290 WeakPolarHBondContact CD-OG 3.09Å; P287-S290 WeakPolarHBondContact O-CB 3.38Å; P287-S290 PolarHBondContact O-N 3.09Å; P287-S290 PolarHBondContact O-OG 2.78Å
288G82.5Confident84.8Confident20 Ų2056.5 Ų56.521%0.20631%0.307CS..THydrogen-bonded Turntrans-56.4142.9174.800000112.5S254 D257 S290S254-G288 CarbonylContact O-C 3.57Å; S254-G288 WeakPolarHBondContact O-CA 3.31Å; D257-G288 PolarHBondContact OD1-N 2.99Å; G288-S290 PolarHBondContact O-N 3.18Å; G288-S290 VanDerWaalsContact O-N 3.17Å
289Q83.3Confident84.7Confident125 Ų12552.8 Ų52.858%0.58430%0.297SS*.THydrogen-bonded Turntrans5429.9-177.1-60.5-69-27.800114N252 Y253 S254 N255N252-Q289 VanDerWaalsContact O-CA 3.26Å; N252-Q289 WeakPolarHBondContact O-CA 3.46Å; N252-Q289 PolarHBondContact O-N 3.27Å; N252-Q289 VanDerWaalsContact O-N 3.07Å; Y253-Q289 PolarHBondContact O-NE2 3.01Å; S254-Q289 PolarHBondContact O-N 3.05Å; N255-Q289 PolarHBondContact OD1-NE2 3.19Å; N255-Q289 VanDerWaalsContact OD1-NE2 3.08Å
290S87.9Confident84.5Confident37 Ų3751.8 Ų51.826%0.25929%0.29SS..EExtended strand (participates in β ladder)trans-133171.5-17884.90000112N252 P287 G288N252-S290 PolarHBondContact N-O 2.77Å; P287-S290 VanDerWaalsContact C-OG 3.32Å; P287-S290 WeakPolarHBondContact CA-OG 3.28Å; P287-S290 WeakPolarHBondContact CB-OG 3.41Å; P287-S290 VanDerWaalsContact CD-OG 3.24Å; P287-S290 WeakPolarHBondContact CD-OG 3.09Å; P287-S290 WeakPolarHBondContact O-CB 3.38Å; P287-S290 PolarHBondContact O-N 3.09Å; P287-S290 PolarHBondContact O-OG 2.78Å; G288-S290 PolarHBondContact O-N 3.18Å; G288-S290 VanDerWaalsContact O-N 3.17Å
291R88.4Confident84Confident165 Ų16551 Ų5162%0.62328%0.277SS*.EExtended strand (participates in β ladder)trans-131.2147.8176.670.4-177.7-176.8-176.20.5111.8V249 V250 E251V249-R291 HydrophobicContact CG1-CB 4.07Å; V249-R291 HydrophobicContact CG1-CG 4.45Å; V250-R291 CarbonylContact O-C 3.6Å; V250-R291 VanDerWaalsContact O-CA 3.25Å; V250-R291 WeakPolarHBondContact O-CA 3.33Å; E251-R291 HydrophobicContact CB-CB 4.32Å; E251-R291 HydrophobicContact CG-CB 3.65Å; E251-R291 WeakPolarHBondContact OE1-CD 3.29Å; E251-R291 IonicContact OE1-NH1 3.07Å
292S88.5Confident83.1Confident38 Ų3851.6 Ų51.627%0.26628%0.277SS..EExtended strand (participates in β ladder)trans-130.3152173-590000111.1V249 V250V249-S292 WeakPolarHBondContact CA-O 3.34Å; V250-S292 PolarHBondContact N-O 3.01Å; V250-S292 PolarHBondContact O-N 2.82Å
293Q88.8Confident82.4Confident125 Ų12549 Ų4958%0.58426%0.259SS*.EExtended strand (participates in β ladder)trans-107.9136.3176.6-69.3179.8-22.900110.4I248 V249I248-Q293 VanDerWaalsContact O-CA 3.29Å; I248-Q293 WeakPolarHBondContact O-CA 3.47Å; V249-Q293 HydrophobicContact CG2-CG 4.3Å
294I88.9Confident81.6Confident6 Ų651.5 Ų51.53%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-126.3126.7179.6-60.2167.1000108.4T247 I248 V250 I260 I262 V281 F296T247-I294 VanDerWaalsContact CA-O 3.29Å; T247-I294 WeakPolarHBondContact CA-O 3.35Å; I248-I294 HydrophobicContact CD1-CB 4.27Å; I248-I294 HydrophobicContact CD1-CD1 4.47Å; I248-I294 HydrophobicContact CG1-CB 3.89Å; I248-I294 PolarHBondContact N-O 3.45Å; I248-I294 PolarHBondContact O-N 3.46Å; V250-I294 HydrophobicContact CG2-CD1 3.96Å; I260-I294 HydrophobicContact CD1-CD1 3.69Å; I262-I294 HydrophobicContact CD1-CD1 3.69Å; I262-I294 HydrophobicContact CD1-CG2 3.79Å; V281-I294 HydrophobicContact CB-CG2 4.33Å; I294-F296 HydrophobicContact CG2-CE2 4.03Å; I294-F296 HydrophobicContact CG2-CZ 4.37Å
295S89.1Confident81.1Confident34 Ų3451.6 Ų51.624%0.23826%0.262CS..EExtended strand (participates in β ladder)trans-98.5138-177.2570000112.9E246E246-S295 CarbonylContact O-C 3.45Å; E246-S295 WeakPolarHBondContact O-CA 3.5Å
296F88.4Confident80.9Confident0 Ų052.4 Ų52.40%026%0.258CS..EExtended strand (participates in β ladder)trans-113.8137.3171.2-66.3-94.3000108.1L233 F235 Q245 E246 I248 I262 R278 I294 Y311 I324L233-F296 HydrophobicContact CD1-CB 4.14Å; L233-F296 HydrophobicContact CD1-CD2 3.51Å; L233-F296 HydrophobicContact CD1-CE2 4.14Å; L233-F296 HydrophobicContact CD1-CG 3.91Å; F235-F296 WeakPolarHBondContact CE1-O 3.39Å; F235-F296 HydrophobicContact CZ-CB 3.89Å; Q245-F296 CarbonylContact C-O 3.44Å; Q245-F296 VanDerWaalsContact CA-O 3.26Å; Q245-F296 WeakPolarHBondContact CA-O 3.43Å; E246-F296 PolarHBondContact N-O 2.64Å; E246-F296 PolarHBondContact O-N 3.24Å; I248-F296 HydrophobicContact CD1-CE2 3.93Å; I248-F296 HydrophobicContact CG1-CE2 4.04Å; I262-F296 HydrophobicContact CG2-CE1 4.43Å; I262-F296 HydrophobicContact CG2-CZ 4.31Å; R278-F296 CarbonylContact O-C 3.51Å; R278-F296 WeakPolarHBondContact O-CA 3.34Å; I294-F296 HydrophobicContact CG2-CE2 4.03Å; I294-F296 HydrophobicContact CG2-CZ 4.37Å; F296-Y311 AromaticContact CD1-CD2 3.71Å; F296-Y311 HydrophobicContact CD1-CD2 3.71Å; F296-Y311 AromaticContact CD1-CE2 3.65Å; F296-Y311 HydrophobicContact CD1-CE2 3.65Å; F296-Y311 HydrophobicContact CD1-CG 4.3Å; F296-Y311 HydrophobicContact CE1-CD1 4.01Å; F296-Y311 AromaticContact CE1-CD2 3.43Å; F296-Y311 HydrophobicContact CE1-CD2 3.43Å; F296-Y311 VanDerWaalsContact CE1-CD2 3.43Å; F296-Y311 HydrophobicContact CE1-CE1 4.3Å; F296-Y311 AromaticContact CE1-CE2 3.75Å; F296-Y311 HydrophobicContact CE1-CE2 3.75Å; F296-Y311 AromaticContact CE1-CG 3.56Å; F296-Y311 HydrophobicContact CE1-CG 3.56Å; F296-Y311 HydrophobicContact CZ-CG 4.44Å; F296-I324 HydrophobicContact CE1-CD1 4.4Å; F296-I324 HydrophobicContact CE2-CD1 3.78Å; F296-I324 HydrophobicContact CZ-CD1 3.5Å
297T85.8Confident80.6Confident2 Ų254 Ų541%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-111.8133.1177.4-48.90000109.9S244 Q245 F277 R278S244-T297 CarbonylContact O-C 3.55Å; S244-T297 VanDerWaalsContact O-CA 3.26Å; S244-T297 WeakPolarHBondContact O-CA 3.28Å; S244-T297 WeakPolarHBondContact O-CG2 3.39Å; Q245-T297 HydrophobicContact CG-CG2 3.95Å; Q245-T297 WeakPolarHBondContact CG-OG1 3.3Å; Q245-T297 PolarHBondContact NE2-OG1 3.43Å; F277-T297 CarbonylContact C-O 3.59Å; F277-T297 VanDerWaalsContact CA-O 3.31Å; F277-T297 WeakPolarHBondContact CA-O 3.47Å; R278-T297 HydrophobicContact CG-CG2 4.42Å; R278-T297 PolarHBondContact N-O 3.05Å; R278-T297 PolarHBondContact O-N 3.14Å
298Y86.5Confident80.7Confident0 Ų051.3 Ų51.30%025%0.249CC..EExtended strand (participates in β ladder)trans-106.8128.2172.5172.3-125.6000110.8F235 V238 S243 S244 V276 F277 P300 D307 G328 K329 S330F235-Y298 HydrophobicContact CB-CD1 3.93Å; F235-Y298 HydrophobicContact CB-CG 4.35Å; F235-Y298 VanDerWaalsContact CD1-CB 3.41Å; F235-Y298 HydrophobicContact CD1-CG 4.43Å; F235-Y298 HydrophobicContact CG-CD1 4.26Å; F235-Y298 HydrophobicContact CG-CG 4.2Å; V238-Y298 HydrophobicContact CB-CD1 4.05Å; V238-Y298 HydrophobicContact CB-CE1 3.99Å; V238-Y298 HydrophobicContact CG2-CD1 3.6Å; V238-Y298 HydrophobicContact CG2-CE1 3.95Å; S243-Y298 CarbonylContact C-O 3.13Å; S243-Y298 WeakPolarHBondContact CA-O 3.42Å; S244-Y298 PolarHBondContact N-O 3.05Å; S244-Y298 PolarHBondContact O-N 2.91Å; V276-Y298 HydrophobicContact CG1-CD2 3.59Å; V276-Y298 HydrophobicContact CG1-CE2 3.31Å; V276-Y298 CarbonylContact O-C 3.59Å; V276-Y298 VanDerWaalsContact O-CA 3.25Å; V276-Y298 WeakPolarHBondContact O-CA 3.3Å; F277-Y298 AromaticContact CD1-CD2 3.7Å; F277-Y298 HydrophobicContact CD1-CD2 3.7Å; F277-Y298 HydrophobicContact CD1-CG 4.13Å; F277-Y298 AromaticContact CE1-CD2 3.22Å; F277-Y298 HydrophobicContact CE1-CD2 3.22Å; F277-Y298 AromaticContact CE1-CE2 3.97Å; F277-Y298 HydrophobicContact CE1-CE2 3.97Å; F277-Y298 AromaticContact CE1-CG 3.64Å; F277-Y298 HydrophobicContact CE1-CG 3.64Å; F277-Y298 HydrophobicContact CE2-CD2 4.23Å; F277-Y298 HydrophobicContact CE2-CE2 4.39Å; F277-Y298 HydrophobicContact CG-CD2 4.38Å; F277-Y298 AromaticContact CZ-CD2 3.51Å; F277-Y298 HydrophobicContact CZ-CD2 3.51Å; F277-Y298 AromaticContact CZ-CE2 3.78Å; F277-Y298 HydrophobicContact CZ-CE2 3.78Å; F277-Y298 HydrophobicContact CZ-CG 4.29Å; Y298-P300 HydrophobicContact CE1-CB 4.26Å; Y298-P300 HydrophobicContact CE1-CG 4.04Å; Y298-P300 HydrophobicContact CE2-CB 4.34Å; Y298-D307 HydrophobicContact CE2-CB 3.81Å; Y298-D307 WeakPolarHBondContact CE2-OD2 3.42Å; Y298-D307 PolarHBondContact OH-OD2 3.05Å; Y298-G328 VanDerWaalsContact CE1-CA 3.48Å; Y298-G328 VanDerWaalsContact CZ-C 3.46Å; Y298-G328 VanDerWaalsContact CZ-CA 3.48Å; Y298-G328 VanDerWaalsContact OH-C 3.24Å; Y298-G328 PolarHBondContact OH-O 2.86Å; Y298-K329 PolarHBondContact OH-N 2.8Å; Y298-S330 PolarHBondContact OH-N 2.92Å
299T78.5Confident80.7Confident34 Ų3450.5 Ų50.521%0.20924%0.24CC..  trans-131.895.4178.5-50.70000109.3S243 V276S243-T299 WeakPolarHBondContact CB-OG1 3.42Å; S243-T299 PolarHBondContact OG-OG1 3.35Å; V276-T299 PolarHBondContact O-N 3.42Å
300P76.6Confident80.8Confident2 Ų245.1 Ų45.11%0.01321%0.214CC..  trans-66.4139.7-179.920.5-28.5000112.6V238 G241 Y298 S330V238-P300 HydrophobicContact CB-CG 3.8Å; V238-P300 HydrophobicContact CG1-CG 3.87Å; V238-P300 WeakPolarHBondContact O-CG 3.27Å; G241-P300 PolarHBondContact N-O 2.95Å; Y298-P300 HydrophobicContact CE1-CB 4.26Å; Y298-P300 HydrophobicContact CE1-CG 4.04Å; Y298-P300 HydrophobicContact CE2-CB 4.34Å; P300-S330 WeakPolarHBondContact CB-OG 3.37Å
301R65.4Low80.7Confident121 Ų12144.2 Ų44.246%0.45721%0.205SC..SBendtrans-91.9-33.8-179.2-170.6-179.3-172.9172.96.4113.7T240T240-R301 VanDerWaalsContact CG2-C 3.49Å; T240-R301 WeakPolarHBondContact CG2-O 3.15Å
302M62.3Low80.6Confident65 Ų6539.3 Ų39.332%0.3219%0.188SC..SBendtrans-129.4144.9-178-62.2-172.888.400110.1S305 S330 D687M302-S305 WeakPolarHBondContact O-CB 3.27Å; M302-S305 PolarHBondContact O-N 2.89Å; M302-S305 PolarHBondContact O-OG 3.37Å; M302-S305 VanDerWaalsContact O-OG 3.09Å; M302-S330 WeakPolarHBondContact O-CB 3.38Å; M302-S330 PolarHBondContact O-OG 3.46Å; M302-D687 WeakPolarHBondContact CE-OD1 3.36Å; M302-D687 VanDerWaalsContact SD-OD1 3.37Å
303P64.9Low80.5Confident20 Ų2037.6 Ų37.613%0.1318%0.176CC..THydrogen-bonded Turntrans-65.7154.4173.527.8-32.8000110.5T240 S305 V333 N435T240-P303 WeakPolarHBondContact OG1-CA 3.36Å; P303-S305 PolarHBondContact O-N 2.99Å; P303-V333 HydrophobicContact CB-CG2 3.68Å; P303-V333 HydrophobicContact CG-CG2 3.64Å; P303-N435 HydrophobicContact CG-CB 3.72Å; P303-N435 WeakPolarHBondContact CG-O 3.3Å
304K68.1Low80.1Confident132 Ų13232.6 Ų32.657%0.57416%0.155SC*.THydrogen-bonded Turntrans58.48.8-173.8-61.7177.6160.8103.80115.6D332K304-D332 HydrophobicContact CD-CB 4.45Å; K304-D332 WeakPolarHBondContact CD-OD1 3.41Å; K304-D332 WeakPolarHBondContact CE-OD1 3.36Å; K304-D332 WeakPolarHBondContact CE-OD2 3.49Å; K304-D332 HydrophobicContact CG-CB 3.61Å; K304-D332 WeakPolarHBondContact CG-OD1 3.44Å; K304-D332 IonicContact NZ-OD1 3.6Å; K304-D332 PolarHBondContact NZ-OD1 3.27Å; K304-D332 IonicContact NZ-OD2 3.82Å; K304-D332 PolarHBondContact NZ-OD2 2.99Å
305S72.2Confident79.5Confident23 Ų2333 Ų3316%0.16116%0.159CC..  trans-66.7143.5176.170.10000111.4M302 P303 D307 S330M302-S305 WeakPolarHBondContact O-CB 3.27Å; M302-S305 PolarHBondContact O-N 2.89Å; M302-S305 PolarHBondContact O-OG 3.37Å; M302-S305 VanDerWaalsContact O-OG 3.09Å; P303-S305 PolarHBondContact O-N 2.99Å; S305-D307 PolarHBondContact OG-OD2 2.71Å; S305-S330 PolarHBondContact O-N 3.2Å; S305-S330 WeakPolarHBondContact OG-CB 3.39Å
306Y79.6Confident78.6Confident94 Ų9436.3 Ų36.337%0.36917%0.173SC..EExtended strand (participates in β ladder)trans-116.2106.2167.3-171.5-73.9000107I308 I327 K329 L861Y306-I308 HydrophobicContact CD1-CD1 4.28Å; Y306-I308 HydrophobicContact CD1-CG1 3.95Å; Y306-I308 HydrophobicContact CE1-CD1 3.78Å; Y306-I308 HydrophobicContact CE1-CG1 3.61Å; Y306-I327 HydrophobicContact CE1-CG2 3.97Å; Y306-I327 HydrophobicContact CE2-CG2 4.39Å; Y306-I327 WeakPolarHBondContact OH-CG2 3.44Å; Y306-K329 HydrophobicContact CD2-CD 4.17Å; Y306-K329 HydrophobicContact CD2-CG 3.89Å; Y306-K329 HydrophobicContact CE2-CD 4.08Å; Y306-K329 VanDerWaalsContact CE2-CE 3.41Å; Y306-K329 HydrophobicContact CE2-CG 4.05Å; Y306-L861 HydrophobicContact CD1-CD1 4.09Å; Y306-L861 HydrophobicContact CE1-CD1 3.73Å
307D81.5Confident77.4Confident33 Ų3338.1 Ų38.118%0.17618%0.182CC..EExtended strand (participates in β ladder)trans-107.4131.4-169.9-56.7-60000110.2V276 F277 Y298 S305 G328V276-D307 HydrophobicContact CG1-CB 3.72Å; F277-D307 HydrophobicContact CE2-CB 3.79Å; F277-D307 HydrophobicContact CZ-CB 3.98Å; F277-D307 WeakPolarHBondContact CZ-O 3.41Å; Y298-D307 HydrophobicContact CE2-CB 3.81Å; Y298-D307 WeakPolarHBondContact CE2-OD2 3.42Å; Y298-D307 PolarHBondContact OH-OD2 3.05Å; S305-D307 PolarHBondContact OG-OD2 2.71Å; D307-G328 PolarHBondContact N-O 2.79Å; D307-G328 PolarHBondContact O-N 3.06Å
308I86.6Confident76.3Confident2 Ų239.7 Ų39.71%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-122.3126.5175.3-56.1175.6000108.6F271 Y306 Y310 K325 C326 L861 N863 E864F271-I308 WeakPolarHBondContact CZ-O 3.38Å; Y306-I308 HydrophobicContact CD1-CD1 4.28Å; Y306-I308 HydrophobicContact CD1-CG1 3.95Å; Y306-I308 HydrophobicContact CE1-CD1 3.78Å; Y306-I308 HydrophobicContact CE1-CG1 3.61Å; I308-Y310 HydrophobicContact CG2-CD2 4.21Å; I308-Y310 HydrophobicContact CG2-CE2 3.45Å; I308-Y310 VanDerWaalsContact CG2-CE2 3.45Å; I308-K325 HydrophobicContact CG2-CG 4.26Å; I308-C326 WeakPolarHBondContact CA-O 3.19Å; I308-L861 HydrophobicContact CD1-CB 3.67Å; I308-L861 HydrophobicContact CD1-CD1 3.91Å; I308-L861 HydrophobicContact CD1-CG 4.43Å; I308-N863 VanDerWaalsContact O-CB 3.28Å; I308-N863 WeakPolarHBondContact O-CB 3.46Å; I308-E864 HydrophobicContact CD1-CB 4Å; I308-E864 HydrophobicContact CD1-CG 4.28Å
309G82.8Confident75.1Confident2 Ų250.3 Ų50.32%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-129.9152175.200000111.6C326G309-C326 PolarHBondContact N-O 3.46Å; G309-C326 PolarHBondContact O-N 3.42Å
310Y85.4Confident74.5Confident13 Ų1350.5 Ų50.55%0.05125%0.245CC..EExtended strand (participates in β ladder)trans-125133.3179-68.2-92.2000112.4V265 I308 M323 I324 K325 N863 I865V265-Y310 PolarHBondContact N-O 3.32Å; I308-Y310 HydrophobicContact CG2-CD2 4.21Å; I308-Y310 HydrophobicContact CG2-CE2 3.45Å; I308-Y310 VanDerWaalsContact CG2-CE2 3.45Å; Y310-M323 HydrophobicContact CD1-CE 3.8Å; Y310-M323 HydrophobicContact CG-CE 4.18Å; Y310-I324 VanDerWaalsContact CA-O 3.26Å; Y310-I324 WeakPolarHBondContact CA-O 3.45Å; Y310-K325 HydrophobicContact CD1-CB 4.03Å; Y310-K325 HydrophobicContact CD1-CG 4.28Å; Y310-K325 HydrophobicContact CE1-CB 3.59Å; Y310-K325 HydrophobicContact CE1-CD 3.85Å; Y310-K325 HydrophobicContact CE1-CG 3.54Å; Y310-K325 VanDerWaalsContact OH-CD 3.26Å; Y310-K325 WeakPolarHBondContact OH-CD 3.49Å; Y310-K325 WeakPolarHBondContact OH-CE 3.21Å; Y310-K325 PolarHBondContact OH-NZ 3.38Å; Y310-N863 WeakPolarHBondContact CE2-O 3.35Å; Y310-I865 HydrophobicContact CD1-CD1 4.03Å; Y310-I865 HydrophobicContact CD2-CD1 3.88Å; Y310-I865 HydrophobicContact CD2-CG1 3.99Å; Y310-I865 HydrophobicContact CE1-CB 4.23Å; Y310-I865 HydrophobicContact CE1-CD1 4.3Å; Y310-I865 HydrophobicContact CE1-CG1 4.44Å; Y310-I865 HydrophobicContact CE2-CB 4.15Å; Y310-I865 HydrophobicContact CE2-CD1 4.21Å; Y310-I865 HydrophobicContact CE2-CG1 3.86Å; Y310-I865 HydrophobicContact CG-CD1 3.79Å; Y310-I865 HydrophobicContact CG-CG1 4.36Å; Y310-I865 PolarHBondContact OH-N 3.09Å; Y310-I865 PolarHBondContact OH-O 2.88Å
311Y86.1Confident74.5Confident18 Ų1855.3 Ų55.37%0.07127%0.267CS..EExtended strand (participates in β ladder)trans-115.2148167.3-72.9-89.8000110.3I262 K263 P264 F277 R278 S279 F296 M323 I324I262-Y311 HydrophobicContact CG2-CD1 3.85Å; I262-Y311 HydrophobicContact CG2-CG 4.37Å; K263-Y311 CarbonylContact O-C 3.6Å; K263-Y311 WeakPolarHBondContact O-CA 3.45Å; P264-Y311 HydrophobicContact CB-CD1 4.29Å; P264-Y311 HydrophobicContact CB-CE1 4.06Å; F277-Y311 HydrophobicContact CB-CE2 4.19Å; F277-Y311 PolarHBondContact O-OH 2.95Å; R278-Y311 WeakPolarHBondContact CA-OH 3.45Å; S279-Y311 PolarHBondContact N-OH 3.45Å; F296-Y311 AromaticContact CD1-CD2 3.71Å; F296-Y311 HydrophobicContact CD1-CD2 3.71Å; F296-Y311 AromaticContact CD1-CE2 3.65Å; F296-Y311 HydrophobicContact CD1-CE2 3.65Å; F296-Y311 HydrophobicContact CD1-CG 4.3Å; F296-Y311 HydrophobicContact CE1-CD1 4.01Å; F296-Y311 AromaticContact CE1-CD2 3.43Å; F296-Y311 HydrophobicContact CE1-CD2 3.43Å; F296-Y311 VanDerWaalsContact CE1-CD2 3.43Å; F296-Y311 HydrophobicContact CE1-CE1 4.3Å; F296-Y311 AromaticContact CE1-CE2 3.75Å; F296-Y311 HydrophobicContact CE1-CE2 3.75Å; F296-Y311 AromaticContact CE1-CG 3.56Å; F296-Y311 HydrophobicContact CE1-CG 3.56Å; F296-Y311 HydrophobicContact CZ-CG 4.44Å; Y311-M323 CarbonylContact O-C 3.58Å; Y311-M323 WeakPolarHBondContact O-CA 3.31Å; Y311-I324 PolarHBondContact N-O 3.46Å; Y311-I324 PolarHBondContact O-N 2.77Å
312K86.1Confident75.3Confident61 Ų6151.2 Ų51.227%0.26526%0.255SS..EExtended strand (participates in β ladder)trans-115.4122.4175.7-166.8173.3-173-177.30108.9I262 K263 V265 E321 M323I262-K312 WeakPolarHBondContact CA-O 3.45Å; K263-K312 PolarHBondContact N-O 2.92Å; K263-K312 PolarHBondContact O-N 3.21Å; V265-K312 HydrophobicContact CG2-CB 3.72Å; K312-E321 WeakPolarHBondContact CE-OE1 3.48Å; K312-E321 WeakPolarHBondContact CE-OE2 3.44Å; K312-E321 IonicContact NZ-OE1 3.3Å; K312-E321 PolarHBondContact NZ-OE1 3.41Å; K312-E321 IonicContact NZ-OE2 3.58Å; K312-E321 PolarHBondContact NZ-OE2 2.74Å; K312-M323 HydrophobicContact CB-SD 4.04Å; K312-M323 HydrophobicContact CD-SD 4.31Å; K312-M323 HydrophobicContact CG-SD 4.01Å
313I86.2Confident76.4Confident2 Ų249.9 Ų49.91%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-95.9110.7169.7-59.4-173.8000106.9I214 I248 I260 I262 E321 T322 I324I214-I313 HydrophobicContact CD1-CB 4.29Å; I214-I313 HydrophobicContact CD1-CD1 4.01Å; I214-I313 HydrophobicContact CD1-CG2 4.03Å; I214-I313 HydrophobicContact CG2-CD1 4.37Å; I248-I313 HydrophobicContact CD1-CD1 3.54Å; I260-I313 HydrophobicContact CB-CG2 3.81Å; I260-I313 HydrophobicContact CD1-CG2 4.04Å; I260-I313 HydrophobicContact CG1-CG2 4.5Å; I260-I313 HydrophobicContact CG2-CG2 3.94Å; I262-I313 HydrophobicContact CG1-CG1 4.28Å; I313-E321 WeakPolarHBondContact O-CA 3.41Å; I313-T322 PolarHBondContact N-O 3.2Å; I313-T322 PolarHBondContact O-N 2.56Å; I313-I324 HydrophobicContact CD1-CD1 3.61Å; I313-I324 HydrophobicContact CD1-CG1 4.28Å; I313-I324 HydrophobicContact CG1-CD1 3.98Å; I313-I324 HydrophobicContact CG1-CG1 4.44Å
314C81.2Confident77.4Confident21 Ų2148.9 Ų48.914%0.14224%0.242CC..EExtended strand (participates in β ladder)trans-102.2130.6172.2-59.30000108.7I260 K261 E321I260-C314 CarbonylContact C-O 3.56Å; I260-C314 WeakPolarHBondContact CA-O 3.45Å; K261-C314 PolarHBondContact N-O 3.24Å; K261-C314 PolarHBondContact O-N 2.95Å; C314-E321 PolarHBondContact SG-OE1 3.15Å
315S76.8Confident78.4Confident15 Ų1543.8 Ų43.811%0.10522%0.22CC..EExtended strand (participates in β ladder)trans-68.4140.2161.1177.20000109.7D210 N317 S318 G320D210-S315 WeakPolarHBondContact OD2-CB 3.2Å; D210-S315 PolarHBondContact OD2-OG 3.36Å; S315-N317 VanDerWaalsContact C-N 3.35Å; S315-N317 PolarHBondContact OG-N 3.47Å; S315-N317 VanDerWaalsContact OG-N 3.15Å; S315-S318 VanDerWaalsContact CB-OG 3.27Å; S315-S318 WeakPolarHBondContact CB-OG 3.43Å; S315-S318 PolarHBondContact OG-N 2.84Å; S315-S318 PolarHBondContact OG-OG 3.09Å; S315-G320 PolarHBondContact N-O 3.01Å; S315-G320 VanDerWaalsContact N-O 3.15Å
316L69.9Low79.2Confident102 Ų10242.7 Ų42.753%0.53421%0.213SC..SBendtrans-77.9-23.6172.7-79.7142.3000112.2S259S259-L316 WeakPolarHBondContact O-CB 3.25Å; S259-L316 PolarHBondContact O-N 2.97Å
317N63.8Low79.6Confident38 Ų3839.3 Ų39.320%0.20320%0.201CC..SBendtrans-106.1-15.8-170.9-61.9-12.3000112.7S315S315-N317 VanDerWaalsContact C-N 3.35Å; S315-N317 PolarHBondContact OG-N 3.47Å; S315-N317 VanDerWaalsContact OG-N 3.15Å
318S61.3Low79.8Confident36 Ų3637.8 Ų37.825%0.25219%0.192SC..SBendtrans-134.2170176.768.30000113.1D210 S315 G320D210-S318 WeakPolarHBondContact OD1-CB 3.19Å; D210-S318 PolarHBondContact OD1-OG 3.49Å; S315-S318 VanDerWaalsContact CB-OG 3.27Å; S315-S318 WeakPolarHBondContact CB-OG 3.43Å; S315-S318 PolarHBondContact OG-N 2.84Å; S315-S318 PolarHBondContact OG-OG 3.09Å; S318-G320 PolarHBondContact O-N 2.85Å
319Y62.2Low79.7Confident222 Ų22241.8 Ų41.887%0.87121%0.21SC*.SBendtrans-82.110.8178.8-60.4-76.7000113.4E321Y319-E321 PolarHBondContact O-N 3.07Å
320G66.4Low79.5Confident39 Ų3942.1 Ų42.140%0.40221%0.212SC..  trans-74.4122.2179.200000111.7S315 S318S315-G320 PolarHBondContact N-O 3.01Å; S315-G320 VanDerWaalsContact N-O 3.15Å; S318-G320 PolarHBondContact O-N 2.85Å
321E76.8Confident79Confident102 Ų10245 Ų4548%0.47722%0.224SC..EExtended strand (participates in β ladder)trans-123.2131172.8-58.5-174.7131.900109.3K312 I313 C314 Y319K312-E321 WeakPolarHBondContact CE-OE1 3.48Å; K312-E321 WeakPolarHBondContact CE-OE2 3.44Å; K312-E321 IonicContact NZ-OE1 3.3Å; K312-E321 PolarHBondContact NZ-OE1 3.41Å; K312-E321 IonicContact NZ-OE2 3.58Å; K312-E321 PolarHBondContact NZ-OE2 2.74Å; I313-E321 WeakPolarHBondContact O-CA 3.41Å; C314-E321 PolarHBondContact SG-OE1 3.15Å; Y319-E321 PolarHBondContact O-N 3.07Å
322T81.6Confident78.2Confident35 Ų3546.5 Ų46.522%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-123.2129.7176.8-51.30000109.1I214 V231 I313I214-T322 HydrophobicContact CB-CG2 4.49Å; I214-T322 HydrophobicContact CD1-CG2 4.17Å; V231-T322 HydrophobicContact CG2-CG2 3.88Å; I313-T322 PolarHBondContact N-O 3.2Å; I313-T322 PolarHBondContact O-N 2.56Å
323M85Confident77.6Confident37 Ų3743.7 Ų43.718%0.18222%0.222CC..EExtended strand (participates in β ladder)trans-90.9140177.4-70.6-73.3-71.700109.6S229 V230 V231 V265 Y310 Y311 K312 I865S229-M323 PolarHBondContact O-N 3.01Å; V230-M323 CarbonylContact C-O 3.52Å; V230-M323 VanDerWaalsContact CA-O 3.26Å; V230-M323 WeakPolarHBondContact CA-O 3.36Å; V230-M323 HydrophobicContact CG1-CB 4.39Å; V230-M323 HydrophobicContact CG2-CB 4.16Å; V231-M323 PolarHBondContact N-O 2.93Å; V265-M323 HydrophobicContact CB-CE 4.39Å; V265-M323 HydrophobicContact CG1-CE 4.19Å; V265-M323 HydrophobicContact CG2-CE 3.67Å; V265-M323 HydrophobicContact CG2-SD 3.68Å; Y310-M323 HydrophobicContact CD1-CE 3.8Å; Y310-M323 HydrophobicContact CG-CE 4.18Å; Y311-M323 CarbonylContact O-C 3.58Å; Y311-M323 WeakPolarHBondContact O-CA 3.31Å; K312-M323 HydrophobicContact CB-SD 4.04Å; K312-M323 HydrophobicContact CD-SD 4.31Å; K312-M323 HydrophobicContact CG-SD 4.01Å; M323-I865 HydrophobicContact CE-CD1 3.56Å
324I86.8Confident77.5Confident0 Ų045.9 Ų45.90%023%0.234CC..EExtended strand (participates in β ladder)trans-113.1120171-55.2176.5000107.3V231 L233 I248 F296 Y310 Y311 I313V231-I324 CarbonylContact O-C 3.59Å; V231-I324 VanDerWaalsContact O-CA 3.29Å; V231-I324 WeakPolarHBondContact O-CA 3.09Å; L233-I324 HydrophobicContact CD1-CG2 3.66Å; L233-I324 HydrophobicContact CG-CG2 3.88Å; I248-I324 HydrophobicContact CD1-CD1 3.63Å; I248-I324 HydrophobicContact CG2-CD1 4.45Å; F296-I324 HydrophobicContact CE1-CD1 4.4Å; F296-I324 HydrophobicContact CE2-CD1 3.78Å; F296-I324 HydrophobicContact CZ-CD1 3.5Å; Y310-I324 VanDerWaalsContact CA-O 3.26Å; Y310-I324 WeakPolarHBondContact CA-O 3.45Å; Y311-I324 PolarHBondContact N-O 3.46Å; Y311-I324 PolarHBondContact O-N 2.77Å; I313-I324 HydrophobicContact CD1-CD1 3.61Å; I313-I324 HydrophobicContact CD1-CG1 4.28Å; I313-I324 HydrophobicContact CG1-CD1 3.98Å; I313-I324 HydrophobicContact CG1-CG1 4.44Å
325K89Confident77.8Confident25 Ų2544.9 Ų44.911%0.10923%0.227CC..EExtended strand (participates in β ladder)trans-95.6108.2172.1-174.9173.7-177.8166.20109V230 V231 F232 L233 I308 Y310 I327 E864V230-K325 HydrophobicContact CG1-CB 3.97Å; V231-K325 PolarHBondContact O-N 3.21Å; F232-K325 HydrophobicContact CD1-CB 4.16Å; F232-K325 HydrophobicContact CD1-CD 3.93Å; F232-K325 HydrophobicContact CD1-CG 4.36Å; F232-K325 HydrophobicContact CE1-CB 4.45Å; F232-K325 HydrophobicContact CE1-CD 3.64Å; L233-K325 PolarHBondContact N-O 3.04Å; I308-K325 HydrophobicContact CG2-CG 4.26Å; Y310-K325 HydrophobicContact CD1-CB 4.03Å; Y310-K325 HydrophobicContact CD1-CG 4.28Å; Y310-K325 HydrophobicContact CE1-CB 3.59Å; Y310-K325 HydrophobicContact CE1-CD 3.85Å; Y310-K325 HydrophobicContact CE1-CG 3.54Å; Y310-K325 VanDerWaalsContact OH-CD 3.26Å; Y310-K325 WeakPolarHBondContact OH-CD 3.49Å; Y310-K325 WeakPolarHBondContact OH-CE 3.21Å; Y310-K325 PolarHBondContact OH-NZ 3.38Å; K325-I327 HydrophobicContact CD-CD1 4.32Å; K325-I327 HydrophobicContact CG-CD1 4.39Å; K325-I327 HydrophobicContact CG-CG1 4.12Å; K325-E864 IonicContact NZ-OE1 2.79Å; K325-E864 PolarHBondContact NZ-OE1 2.91Å
326C88.2Confident78.5Confident0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-89.1128172.7-63.20000109.6L233 F235 F277 I308 G309L233-C326 CarbonylContact O-C 3.59Å; L233-C326 WeakPolarHBondContact O-CA 3.26Å; F235-C326 HydrophobicContact CE2-CB 4.06Å; F277-C326 HydrophobicContact CD1-CB 3.66Å; F277-C326 HydrophobicContact CD2-CB 4.31Å; F277-C326 HydrophobicContact CE1-CB 3.73Å; F277-C326 HydrophobicContact CE2-CB 4.39Å; F277-C326 HydrophobicContact CG-CB 3.96Å; F277-C326 HydrophobicContact CZ-CB 4.11Å; I308-C326 WeakPolarHBondContact CA-O 3.19Å; G309-C326 PolarHBondContact N-O 3.46Å; G309-C326 PolarHBondContact O-N 3.42Å
327I88.3Confident79.6Confident23 Ų2344.1 Ų44.112%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-124.4121.3178-57.7175.8000108.1F232 L233 F235 Y306 K325F232-I327 HydrophobicContact CD1-CD1 4.49Å; L233-I327 PolarHBondContact O-N 3.38Å; F235-I327 WeakPolarHBondContact CD2-O 3.46Å; F235-I327 PolarHBondContact N-O 2.69Å; Y306-I327 HydrophobicContact CE1-CG2 3.97Å; Y306-I327 HydrophobicContact CE2-CG2 4.39Å; Y306-I327 WeakPolarHBondContact OH-CG2 3.44Å; K325-I327 HydrophobicContact CD-CD1 4.32Å; K325-I327 HydrophobicContact CG-CD1 4.39Å; K325-I327 HydrophobicContact CG-CG1 4.12Å
328G85.3Confident80.9Confident0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-128141.5179.600000110.3Y298 D307Y298-G328 VanDerWaalsContact CE1-CA 3.48Å; Y298-G328 VanDerWaalsContact CZ-C 3.46Å; Y298-G328 VanDerWaalsContact CZ-CA 3.48Å; Y298-G328 VanDerWaalsContact OH-C 3.24Å; Y298-G328 PolarHBondContact OH-O 2.86Å; D307-G328 PolarHBondContact N-O 2.79Å; D307-G328 PolarHBondContact O-N 3.06Å
329K85Confident82.4Confident86 Ų8645.3 Ų45.337%0.37423%0.229SC..EExtended strand (participates in β ladder)trans-122.7129.6176.5-59.6-176.6-165.4-170.20109.1N237 V238 Y298 Y306N237-K329 CarbonylContact C-O 3.47Å; N237-K329 VanDerWaalsContact CA-O 3.3Å; N237-K329 WeakPolarHBondContact CA-O 3.26Å; N237-K329 WeakPolarHBondContact OD1-CB 3.41Å; V238-K329 PolarHBondContact N-O 2.82Å; Y298-K329 PolarHBondContact OH-N 2.8Å; Y306-K329 HydrophobicContact CD2-CD 4.17Å; Y306-K329 HydrophobicContact CD2-CG 3.89Å; Y306-K329 HydrophobicContact CE2-CD 4.08Å; Y306-K329 VanDerWaalsContact CE2-CE 3.41Å; Y306-K329 HydrophobicContact CE2-CG 4.05Å
330S78.7Confident83.8Confident9 Ų939.5 Ų39.56%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-84.8138.6173.2-1630000111.6V238 T240 Y298 P300 M302 S305V238-S330 CarbonylContact O-C 3.47Å; V238-S330 WeakPolarHBondContact O-CA 3.18Å; V238-S330 PolarHBondContact O-OG 3.14Å; T240-S330 PolarHBondContact OG1-OG 3.34Å; Y298-S330 PolarHBondContact OH-N 2.92Å; P300-S330 WeakPolarHBondContact CB-OG 3.37Å; M302-S330 WeakPolarHBondContact O-CB 3.38Å; M302-S330 PolarHBondContact O-OG 3.46Å; S305-S330 PolarHBondContact O-N 3.2Å; S305-S330 WeakPolarHBondContact OG-CB 3.39Å
331K74.2Confident85Confident73 Ų7343 Ų4332%0.31722%0.215SC..EExtended strand (participates in β ladder)trans-66.7142.1168.7-71.7-178.1170.4172.10110N237 V238 D364N237-K331 HydrophobicContact CB-CG 3.77Å; N237-K331 VanDerWaalsContact O-CE 3.23Å; N237-K331 WeakPolarHBondContact O-CE 3.36Å; V238-K331 PolarHBondContact O-N 2.95Å; K331-D364 IonicContact NZ-OD2 3.16Å; K331-D364 PolarHBondContact NZ-OD2 2.68Å
332D70.5Confident85.8Confident50 Ų5038.1 Ų38.127%0.26719%0.192SC..PPolyproline II helixtrans-71.4148.9174.7-171.521.3000112.1K304 N334K304-D332 HydrophobicContact CD-CB 4.45Å; K304-D332 WeakPolarHBondContact CD-OD1 3.41Å; K304-D332 WeakPolarHBondContact CE-OD1 3.36Å; K304-D332 WeakPolarHBondContact CE-OD2 3.49Å; K304-D332 HydrophobicContact CG-CB 3.61Å; K304-D332 WeakPolarHBondContact CG-OD1 3.44Å; K304-D332 IonicContact NZ-OD1 3.6Å; K304-D332 PolarHBondContact NZ-OD1 3.27Å; K304-D332 IonicContact NZ-OD2 3.82Å; K304-D332 PolarHBondContact NZ-OD2 2.99Å; D332-N334 PolarHBondContact O-N 2.84Å
333V72.5Confident86.3Confident2 Ų237.8 Ų37.81%0.01219%0.19CC..  trans-73.4115.9160.7-171.70000105.9P303 I335 Y365 V433 N435 Q436P303-V333 HydrophobicContact CB-CG2 3.68Å; P303-V333 HydrophobicContact CG-CG2 3.64Å; V333-I335 HydrophobicContact CG1-CD1 3.39Å; V333-Y365 VanDerWaalsContact CA-OH 3.26Å; V333-Y365 WeakPolarHBondContact CA-OH 3.23Å; V333-Y365 VanDerWaalsContact CB-OH 3.3Å; V333-Y365 WeakPolarHBondContact CB-OH 3.5Å; V333-Y365 WeakPolarHBondContact CG2-OH 3.33Å; V333-V433 HydrophobicContact CG1-CG1 3.71Å; V333-N435 HydrophobicContact CG2-CB 4.23Å; V333-Q436 VanDerWaalsContact C-OE1 3.3Å; V333-Q436 HydrophobicContact CB-CB 4.09Å; V333-Q436 HydrophobicContact CB-CG 4.32Å; V333-Q436 HydrophobicContact CG1-CB 4.03Å; V333-Q436 HydrophobicContact CG1-CG 4.41Å; V333-Q436 PolarHBondContact O-OE1 3.41Å
334N83.7Confident86.8Confident49 Ų4936 Ų3626%0.26218%0.181SC..  trans-128.677.1-177.2-167.25.5000110.8D332 Q336 H362D332-N334 PolarHBondContact O-N 2.84Å; N334-Q336 WeakPolarHBondContact OD1-CG 3.27Å; N334-Q336 PolarHBondContact OD1-NE2 3.42Å; N334-H362 HydrophobicContact CB-CB 4.18Å; N334-H362 WeakPolarHBondContact O-CA 3.26Å; N334-H362 WeakPolarHBondContact O-CB 3.44Å; N334-H362 PolarHBondContact O-N 3.07Å
335I88.7Confident87.1Confident0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-103.8118.3171.5-70.271.9000106.4V333 I359 I360 N361 T367 I405 L431 V433 Q436 Q439V333-I335 HydrophobicContact CG1-CD1 3.39Å; I335-I359 HydrophobicContact CG2-CG2 3.47Å; I335-I359 VanDerWaalsContact CG2-CG2 3.47Å; I335-I360 CarbonylContact C-O 3.56Å; I335-I360 VanDerWaalsContact CA-O 3.32Å; I335-I360 WeakPolarHBondContact CA-O 3.37Å; I335-N361 WeakPolarHBondContact CD1-OD1 3.49Å; I335-N361 HydrophobicContact CG1-CB 3.98Å; I335-T367 HydrophobicContact CD1-CG2 3.4Å; I335-T367 HydrophobicContact CG1-CG2 3.8Å; I335-I405 HydrophobicContact CG1-CG2 4.07Å; I335-L431 HydrophobicContact CG2-CD2 4.19Å; I335-V433 HydrophobicContact CB-CG1 4.48Å; I335-V433 HydrophobicContact CB-CG2 4.03Å; I335-V433 HydrophobicContact CD1-CG1 4.07Å; I335-V433 HydrophobicContact CG1-CG1 4.37Å; I335-V433 HydrophobicContact CG2-CG2 4.02Å; I335-Q436 PolarHBondContact O-NE2 3Å; I335-Q439 PolarHBondContact O-NE2 2.84Å
336Q90.5Very high87.3Confident81 Ų8141.5 Ų41.538%0.37922%0.215SC..EExtended strand (participates in β ladder)trans-120.3147-174-64.3-176-13.500112N334 I360N334-Q336 WeakPolarHBondContact OD1-CG 3.27Å; N334-Q336 PolarHBondContact OD1-NE2 3.42Å; Q336-I360 PolarHBondContact N-O 3.5Å; Q336-I360 PolarHBondContact O-N 3.06Å
337L92.9Very high87.6Confident19 Ų1941.5 Ų41.510%0.09922%0.215CC..EExtended strand (participates in β ladder)trans-76.3144163.5-67.4160.6000109.9T339 V357 N358 I359 L431 Q439 L441L337-T339 WeakPolarHBondContact CB-O 3.49Å; L337-T339 PolarHBondContact O-N 2.97Å; L337-T339 VanDerWaalsContact O-N 3.15Å; L337-V357 HydrophobicContact CD2-CG1 4.04Å; L337-N358 CarbonylContact C-O 3.57Å; L337-N358 WeakPolarHBondContact CA-O 3.34Å; L337-I359 HydrophobicContact CD2-CG1 3.9Å; L337-L431 HydrophobicContact CD1-CB 4.18Å; L337-L431 HydrophobicContact CD1-CD2 4.41Å; L337-L431 HydrophobicContact CD2-CD2 4.07Å; L337-L431 HydrophobicContact CG-CB 4.45Å; L337-L431 HydrophobicContact CG-CD2 3.83Å; L337-Q439 HydrophobicContact CD1-CB 4.2Å; L337-L441 HydrophobicContact CD1-CB 4.01Å
338S92.5Very high87.8Confident58 Ų5844.4 Ų44.441%0.40623%0.228SC..SBendtrans-64.5-16.9175.663.30000113.7N358S338-N358 PolarHBondContact N-O 3.47Å; S338-N358 PolarHBondContact OG-N 2.81Å
339T92.6Very high88.1Confident42 Ų4247.8 Ų47.826%0.25825%0.245SC..  trans-155.9151.1177.1-179.60000109.6L337 Y341 V357 L441L337-T339 WeakPolarHBondContact CB-O 3.49Å; L337-T339 PolarHBondContact O-N 2.97Å; L337-T339 VanDerWaalsContact O-N 3.15Å; T339-Y341 VanDerWaalsContact CG2-O 3.23Å; T339-Y341 WeakPolarHBondContact CG2-O 3.32Å; T339-Y341 PolarHBondContact OG1-N 2.9Å; T339-Y341 PolarHBondContact OG1-O 3.43Å; T339-V357 HydrophobicContact CG2-CG1 4.25Å; T339-V357 HydrophobicContact CG2-CG2 4.12Å; T339-L441 HydrophobicContact CG2-CD1 4.02Å; T339-L441 WeakPolarHBondContact O-CD1 3.3Å
340N90Very high88Confident99 Ų9945.4 Ų45.453%0.52925%0.245SC..SBendtrans-95.21172.164.6-16.2000112.9N442N340-N442 PolarHBondContact O-N 3.39Å; N340-N442 PolarHBondContact O-ND2 3.31Å
341Y92.8Very high88.6Confident112 Ų11249 Ų4944%0.43926%0.261SS..EExtended strand (participates in β ladder)trans-148.2156.3170.767.7-92.3000114T339 N442 P459T339-Y341 VanDerWaalsContact CG2-O 3.23Å; T339-Y341 WeakPolarHBondContact CG2-O 3.32Å; T339-Y341 PolarHBondContact OG1-N 2.9Å; T339-Y341 PolarHBondContact OG1-O 3.43Å; Y341-N442 CarbonylContact C-O 3.57Å; Y341-N442 WeakPolarHBondContact CA-O 3.39Å; Y341-N442 VanDerWaalsContact CB-O 3.32Å; Y341-N442 WeakPolarHBondContact CB-O 3.16Å; Y341-P459 HydrophobicContact CD1-CG 4.41Å; Y341-P459 HydrophobicContact CD2-CB 4.29Å; Y341-P459 HydrophobicContact CD2-CG 3.38Å; Y341-P459 HydrophobicContact CE2-CG 3.65Å; Y341-P459 HydrophobicContact CG-CB 4.28Å; Y341-P459 HydrophobicContact CG-CG 3.82Å
342C93.2Very high89.4Confident1 Ų148.4 Ų48.41%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-127.7139.6168.4-670000109.5F344 Q355 V357 N442 L443 F444C342-F344 HydrophobicContact CB-CE2 4.22Å; C342-F344 HydrophobicContact CB-CZ 4.37Å; C342-Q355 VanDerWaalsContact CA-OE1 3.24Å; C342-V357 WeakPolarHBondContact SG-CG2 3.46Å; C342-N442 PolarHBondContact N-O 3.38Å; C342-L443 HydrophobicContact CB-CD2 3.51Å; C342-F444 WeakPolarHBondContact O-CD2 3.48Å; C342-F444 PolarHBondContact O-N 2.91Å
343T92.3Very high90.5Very high27 Ų2748.9 Ų48.917%0.16626%0.261CS..EExtended strand (participates in β ladder)trans-130.4119.4175.7-54.90000109.3Q355 F444 P459T343-Q355 VanDerWaalsContact N-OE1 3.16Å; T343-Q355 PolarHBondContact O-NE2 3.44Å; T343-F444 WeakPolarHBondContact CA-O 3.37Å; T343-F444 HydrophobicContact CG2-CB 4.38Å; T343-P459 WeakPolarHBondContact OG1-CD 3.17Å; T343-P459 WeakPolarHBondContact OG1-CG 3.32Å
344F95.6Very high91.4Very high1 Ų154.2 Ų54.20%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-86.8151.4-179.5-58.9-88.3000110.4C342 Q355 F394 I415 F417 L443 F444 H456C342-F344 HydrophobicContact CB-CE2 4.22Å; C342-F344 HydrophobicContact CB-CZ 4.37Å; F344-Q355 HydrophobicContact CD1-CG 4.17Å; F344-Q355 HydrophobicContact CE1-CB 4.1Å; F344-Q355 HydrophobicContact CE1-CG 4Å; F344-F394 HydrophobicContact CD2-CD1 4.21Å; F344-F394 AromaticContact CD2-CE1 3.78Å; F344-F394 HydrophobicContact CD2-CE1 3.78Å; F344-F394 AromaticContact CE2-CD1 3.6Å; F344-F394 HydrophobicContact CE2-CD1 3.6Å; F344-F394 AromaticContact CE2-CE1 3.57Å; F344-F394 HydrophobicContact CE2-CE1 3.57Å; F344-F394 HydrophobicContact CZ-CD1 4.21Å; F344-I415 WeakPolarHBondContact CE1-O 3.34Å; F344-I415 HydrophobicContact CZ-CG2 4.14Å; F344-F417 HydrophobicContact CB-CB 3.87Å; F344-F417 HydrophobicContact CB-CD1 3.82Å; F344-F417 HydrophobicContact CB-CG 4.03Å; F344-F417 HydrophobicContact CD1-CB 3.49Å; F344-F417 VanDerWaalsContact CD1-CB 3.49Å; F344-F417 HydrophobicContact CD2-CB 3.68Å; F344-F417 HydrophobicContact CD2-CG 4.12Å; F344-F417 HydrophobicContact CE1-CB 3.88Å; F344-F417 HydrophobicContact CE2-CB 4.09Å; F344-F417 HydrophobicContact CG-CB 3.37Å; F344-F417 HydrophobicContact CG-CD1 4.27Å; F344-F417 AromaticContact CG-CG 3.97Å; F344-F417 HydrophobicContact CG-CG 3.97Å; F344-F417 HydrophobicContact CZ-CB 4.17Å; F344-L443 HydrophobicContact CE2-CB 4.47Å; F344-F444 WeakPolarHBondContact CD2-O 3.47Å; F344-F444 PolarHBondContact N-O 2.84Å; F344-H456 PolarHBondContact O-NE2 3.16Å
345P93.1Very high91.9Very high69 Ų6954.9 Ų54.945%0.44829%0.287SS..EExtended strand (participates in β ladder)trans-55.8161.9166.2-24.436.5000111.2T347P345-T347 PolarHBondContact O-N 3.33Å; P345-T347 PolarHBondContact O-OG1 3.4Å; P345-T347 VanDerWaalsContact O-OG1 3.09Å
346I93.7Very high92.1Very high71 Ų7158.5 Ų58.536%0.36431%0.309SS..EExtended strand (participates in β ladder)trans-63.7125.4170.8-61174.9000107.6T446 H448 H456I346-T446 WeakPolarHBondContact CA-O 3.46Å; I346-T446 HydrophobicContact CG1-CG2 4.47Å; I346-H448 HydrophobicContact CG2-CB 4.16Å; I346-H448 VanDerWaalsContact CG2-CG 3.43Å; I346-H448 WeakPolarHBondContact CG2-ND1 3.28Å; I346-H456 HydrophobicContact CD1-CB 4.11Å; I346-H456 HydrophobicContact CG1-CB 4.2Å
347T93.7Very high92.3Very high0 Ų054.6 Ų54.60%029%0.291CS..EExtended strand (participates in β ladder)trans-118.3143.7-172-56.90000109.7P345 E351 F417 P419 T446 C447 H448P345-T347 PolarHBondContact O-N 3.33Å; P345-T347 PolarHBondContact O-OG1 3.4Å; P345-T347 VanDerWaalsContact O-OG1 3.09Å; T347-E351 HydrophobicContact CG2-CB 3.46Å; T347-E351 VanDerWaalsContact CG2-CB 3.46Å; T347-E351 VanDerWaalsContact CG2-O 3.27Å; T347-E351 WeakPolarHBondContact CG2-O 3.37Å; T347-F417 HydrophobicContact CG2-CD1 4.39Å; T347-F417 WeakPolarHBondContact OG1-CD1 3.28Å; T347-P419 HydrophobicContact CG2-CG 4.27Å; T347-T446 PolarHBondContact N-O 3.12Å; T347-C447 CarbonylContact O-C 3.59Å; T347-C447 WeakPolarHBondContact O-CA 3.14Å; T347-H448 PolarHBondContact O-N 3.41Å
348H93.1Very high92.4Very high84 Ų8455.6 Ų55.639%0.38930%0.296SS..EExtended strand (participates in β ladder)trans-82.1158.8172.3-68.7-68.2000111.8G350 E351 H448H348-G350 PolarHBondContact O-N 3.07Å; H348-E351 HydrophobicContact CB-CG 4.18Å; H348-E351 IonicContact CD2-OE1 2.7Å; H348-E351 IonicContact CD2-OE2 2.6Å; H348-E351 PolarHBondContact N-OE2 3.21Å; H348-E351 WeakPolarHBondContact O-CB 3.35Å; H348-E351 PolarHBondContact O-N 3.44Å; H348-H448 WeakPolarHBondContact CA-O 3.44Å; H348-H448 PolarHBondContact ND1-O 3.35Å
349I90.1Very high92.5Very high71 Ų7152.8 Ų52.836%0.36428%0.277SS..THydrogen-bonded Turntrans-52.4126.9176.3-64175.5000110E351 Q420 P422 H448 N449I349-E351 VanDerWaalsContact C-N 3.29Å; I349-E351 PolarHBondContact O-N 2.96Å; I349-Q420 VanDerWaalsContact CG2-O 3.3Å; I349-Q420 WeakPolarHBondContact CG2-O 3.21Å; I349-P422 HydrophobicContact CD1-CG 4.43Å; I349-H448 PolarHBondContact N-O 2.82Å; I349-N449 HydrophobicContact CD1-CB 3.59Å; I349-N449 HydrophobicContact CG1-CB 4.18Å
350G84.4Confident92.5Very high36 Ų3652.6 Ų52.637%0.37127%0.274SS..THydrogen-bonded Turntrans79.91.4178.700000115.2H348 Y418 P419H348-G350 PolarHBondContact O-N 3.07Å; G350-Y418 VanDerWaalsContact O-CE2 3.32Å; G350-Y418 WeakPolarHBondContact O-CE2 3.36Å; G350-P419 PolarHBondContact N-O 3.27Å
351E90.4Very high92.6Very high84 Ų8448 Ų4839%0.39325%0.249SC..  trans-85.7147.3168.5-72.4179.2169.500111T347 H348 I349 Y418T347-E351 HydrophobicContact CG2-CB 3.46Å; T347-E351 VanDerWaalsContact CG2-CB 3.46Å; T347-E351 VanDerWaalsContact CG2-O 3.27Å; T347-E351 WeakPolarHBondContact CG2-O 3.37Å; H348-E351 HydrophobicContact CB-CG 4.18Å; H348-E351 IonicContact CD2-OE1 2.7Å; H348-E351 IonicContact CD2-OE2 2.6Å; H348-E351 PolarHBondContact N-OE2 3.21Å; H348-E351 WeakPolarHBondContact O-CB 3.35Å; H348-E351 PolarHBondContact O-N 3.44Å; I349-E351 VanDerWaalsContact C-N 3.29Å; I349-E351 PolarHBondContact O-N 2.96Å; E351-Y418 WeakPolarHBondContact O-CD2 3.34Å
352L90.5Very high92.3Very high60 Ų6046.4 Ų46.431%0.31425%0.246SC..  trans-109.9125.1176.4177.569.1000109.9I397 Y418 L577L352-I397 HydrophobicContact CD1-CD1 4.03Å; L352-I397 HydrophobicContact CD2-CD1 4.01Å; L352-I397 HydrophobicContact CG-CD1 4.27Å; L352-Y418 HydrophobicContact CB-CD2 3.98Å; L352-Y418 HydrophobicContact CD1-CD2 4.28Å; L352-Y418 HydrophobicContact CD1-CG 4.25Å; L352-L577 HydrophobicContact CD1-CD1 4.31Å; L352-L577 HydrophobicContact CD2-CD1 4.11Å
353H93.8Very high91.8Very high60 Ų6046.7 Ų46.728%0.27825%0.247SC..EExtended strand (participates in β ladder)trans-119.9156.8167.9-77.336.4000109.7G416 F417H353-G416 CarbonylContact O-C 3.56Å; H353-G416 WeakPolarHBondContact O-CA 3.43Å; H353-F417 PolarHBondContact N-O 2.85Å; H353-F417 PolarHBondContact O-N 2.97Å
354H92.6Very high91.1Very high114 Ų11448.1 Ų48.153%0.52825%0.254SS..EExtended strand (participates in β ladder)trans-141.9158.1-177.367.7-92.1000113.7I397 I414 I415H354-I397 HydrophobicContact CB-CD1 3.57Å; H354-I414 HydrophobicContact CB-CG2 3.84Å; H354-I415 CarbonylContact C-O 3.58Å; H354-I415 WeakPolarHBondContact CA-O 3.04Å; H354-I415 WeakPolarHBondContact CB-O 3.49Å
355Q93.2Very high90.1Very high64 Ų6450.2 Ų50.230%0.29926%0.262SS..EExtended strand (participates in β ladder)trans-133.2151.6171.4-73.9-161.3-2900110.4C342 T343 F344 I414 I415C342-Q355 VanDerWaalsContact CA-OE1 3.24Å; T343-Q355 VanDerWaalsContact N-OE1 3.16Å; T343-Q355 PolarHBondContact O-NE2 3.44Å; F344-Q355 HydrophobicContact CD1-CG 4.17Å; F344-Q355 HydrophobicContact CE1-CB 4.1Å; F344-Q355 HydrophobicContact CE1-CG 4Å; Q355-I414 WeakPolarHBondContact O-CA 3.45Å; Q355-I415 PolarHBondContact N-O 2.62Å; Q355-I415 PolarHBondContact O-N 3.08Å
356V93.8Very high89.8Confident75 Ų7550 Ų5046%0.45526%0.263SS..EExtended strand (participates in β ladder)trans-100.2129.7176.7-173.40000109Q412 L413 I414V356-Q412 HydrophobicContact CG1-CB 4.4Å; V356-L413 CarbonylContact C-O 3.58Å; V356-L413 WeakPolarHBondContact CA-O 3.32Å; V356-I414 HydrophobicContact CG2-CG1 4.29Å
357V93.7Very high89.4Confident0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-125.8136.7174.6-179.60000108.3L337 T339 C342 L413 I415 L441L337-V357 HydrophobicContact CD2-CG1 4.04Å; T339-V357 HydrophobicContact CG2-CG1 4.25Å; T339-V357 HydrophobicContact CG2-CG2 4.12Å; C342-V357 WeakPolarHBondContact SG-CG2 3.46Å; V357-L413 PolarHBondContact N-O 2.78Å; V357-L413 WeakPolarHBondContact O-CA 3.1Å; V357-L413 WeakPolarHBondContact O-CB 3.23Å; V357-L413 PolarHBondContact O-N 3.24Å; V357-I415 HydrophobicContact CB-CD1 4.26Å; V357-I415 HydrophobicContact CG2-CD1 3.91Å; V357-L441 HydrophobicContact CG1-CD1 4.49Å; V357-L441 HydrophobicContact CG1-CD2 4.17Å; V357-L441 HydrophobicContact CG2-CD2 4.15Å
358N95Very high89.3Confident39 Ų3948.3 Ų48.321%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-107.6139.3179.5-53.9-32.7000110.7L337 S338 I360 T410 L411 Q412L337-N358 CarbonylContact C-O 3.57Å; L337-N358 WeakPolarHBondContact CA-O 3.34Å; S338-N358 PolarHBondContact N-O 3.47Å; S338-N358 PolarHBondContact OG-N 2.81Å; N358-I360 HydrophobicContact CB-CG1 4.18Å; N358-T410 HydrophobicContact CB-CG2 3.73Å; N358-L411 CarbonylContact C-O 3.53Å; N358-L411 WeakPolarHBondContact CA-O 3.33Å; N358-Q412 WeakPolarHBondContact OD1-CG 3.29Å
359I94.2Very high89.3Confident0 Ų044.7 Ų44.70%024%0.239CC..EExtended strand (participates in β ladder)trans-97.9118164-58.7172.3000106.6I335 L337 Y369 I405 T410 L411 L413 L431I335-I359 HydrophobicContact CG2-CG2 3.47Å; I335-I359 VanDerWaalsContact CG2-CG2 3.47Å; L337-I359 HydrophobicContact CD2-CG1 3.9Å; I359-Y369 HydrophobicContact CD1-CD2 3.75Å; I359-Y369 HydrophobicContact CD1-CE2 3.65Å; I359-I405 HydrophobicContact CB-CD1 4.37Å; I359-I405 HydrophobicContact CG2-CD1 3.78Å; I359-I405 WeakPolarHBondContact O-CD1 3.49Å; I359-T410 CarbonylContact O-C 3.48Å; I359-T410 WeakPolarHBondContact O-CA 3.4Å; I359-L411 HydrophobicContact CB-CB 4.43Å; I359-L411 PolarHBondContact N-O 3.35Å; I359-L411 PolarHBondContact O-N 2.83Å; I359-L413 HydrophobicContact CD1-CD1 3.62Å; I359-L413 HydrophobicContact CD1-CG 4.44Å; I359-L413 HydrophobicContact CG1-CD1 4Å; I359-L431 HydrophobicContact CD1-CD1 3.87Å; I359-L431 HydrophobicContact CG2-CD2 4.12Å
360I93.8Very high89.5Confident38 Ų3842 Ų4220%0.19522%0.224CC..EExtended strand (participates in β ladder)trans-114.2120.3-173.6-54164.4000108.5I335 Q336 N358 H362 T410I335-I360 CarbonylContact C-O 3.56Å; I335-I360 VanDerWaalsContact CA-O 3.32Å; I335-I360 WeakPolarHBondContact CA-O 3.37Å; Q336-I360 PolarHBondContact N-O 3.5Å; Q336-I360 PolarHBondContact O-N 3.06Å; N358-I360 HydrophobicContact CB-CG1 4.18Å; I360-H362 VanDerWaalsContact CG2-CE1 3.41Å; I360-H362 WeakPolarHBondContact CG2-CE1 3.48Å; I360-H362 WeakPolarHBondContact CG2-NE2 3.37Å; I360-H362 PolarHBondContact O-N 2.83Å; I360-T410 HydrophobicContact CG1-CG2 3.83Å
361N91.5Very high89.9Confident1 Ų140.5 Ų40.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-89.6102.2172.7-1777.5000110.4I335 S363 Y365 I405 K406 K408 E409I335-N361 WeakPolarHBondContact CD1-OD1 3.49Å; I335-N361 HydrophobicContact CG1-CB 3.98Å; N361-S363 VanDerWaalsContact C-N 3.28Å; N361-S363 WeakPolarHBondContact OD1-CA 3.38Å; N361-S363 VanDerWaalsContact OD1-CB 3.26Å; N361-S363 WeakPolarHBondContact OD1-CB 3.34Å; N361-S363 PolarHBondContact OD1-N 2.93Å; N361-S363 PolarHBondContact OD1-OG 3.43Å; N361-Y365 PolarHBondContact ND2-O 2.92Å; N361-I405 HydrophobicContact CB-CB 4.5Å; N361-I405 HydrophobicContact CB-CD1 3.71Å; N361-I405 HydrophobicContact CB-CG1 3.73Å; N361-I405 HydrophobicContact CB-CG2 4.05Å; N361-I405 PolarHBondContact ND2-O 3.19Å; N361-K406 WeakPolarHBondContact CB-O 3.38Å; N361-K406 PolarHBondContact ND2-O 2.87Å; N361-K408 WeakPolarHBondContact O-CA 3.49Å; N361-K408 PolarHBondContact O-N 2.94Å; N361-E409 PolarHBondContact N-O 2.96Å
362H86.5Confident89.9Confident80 Ų8037.4 Ų37.437%0.3720%0.195SC..  trans-82-5.4173.9-62-74.5000113.1N334 I360 K408N334-H362 HydrophobicContact CB-CB 4.18Å; N334-H362 WeakPolarHBondContact O-CA 3.26Å; N334-H362 WeakPolarHBondContact O-CB 3.44Å; N334-H362 PolarHBondContact O-N 3.07Å; I360-H362 VanDerWaalsContact CG2-CE1 3.41Å; I360-H362 WeakPolarHBondContact CG2-CE1 3.48Å; I360-H362 WeakPolarHBondContact CG2-NE2 3.37Å; I360-H362 PolarHBondContact O-N 2.83Å; H362-K408 PolarHBondContact O-NZ 2.71Å
363S83.1Confident89.8Confident6 Ų635.4 Ų35.44%0.04219%0.187CC..SBendtrans-79.2159177.880.90000112.2N361 Y365 S407 K408N361-S363 VanDerWaalsContact C-N 3.28Å; N361-S363 WeakPolarHBondContact OD1-CA 3.38Å; N361-S363 VanDerWaalsContact OD1-CB 3.26Å; N361-S363 WeakPolarHBondContact OD1-CB 3.34Å; N361-S363 PolarHBondContact OD1-N 2.93Å; N361-S363 PolarHBondContact OD1-OG 3.43Å; S363-Y365 PolarHBondContact O-N 3.35Å; S363-Y365 PolarHBondContact OG-O 3.3Å; S363-Y365 VanDerWaalsContact OG-O 3.06Å; S363-S407 PolarHBondContact O-OG 2.8Å; S363-K408 PolarHBondContact O-N 3.25Å
364D76.9Confident89.2Confident58 Ų5832.8 Ų32.831%0.3118%0.176SC..SBendtrans-86.29.9-178.3-58.6-25.2000112.9K331 S407 K408K331-D364 IonicContact NZ-OD2 3.16Å; K331-D364 PolarHBondContact NZ-OD2 2.68Å; D364-S407 VanDerWaalsContact CA-OG 3.23Å; D364-S407 WeakPolarHBondContact CA-OG 3.49Å; D364-S407 PolarHBondContact O-OG 2.86Å; D364-K408 WeakPolarHBondContact OD1-CE 3.1Å; D364-K408 IonicContact OD1-NZ 3.77Å; D364-K408 PolarHBondContact OD1-NZ 2.85Å
365Y75.9Confident88.6Confident44 Ų4428.4 Ų28.417%0.17316%0.156CC..SBendtrans-137.5163.1-179.261.7-85.1000111.4V333 N361 S363V333-Y365 VanDerWaalsContact CA-OH 3.26Å; V333-Y365 WeakPolarHBondContact CA-OH 3.23Å; V333-Y365 VanDerWaalsContact CB-OH 3.3Å; V333-Y365 WeakPolarHBondContact CB-OH 3.5Å; V333-Y365 WeakPolarHBondContact CG2-OH 3.33Å; N361-Y365 PolarHBondContact ND2-O 2.92Å; S363-Y365 PolarHBondContact O-N 3.35Å; S363-Y365 PolarHBondContact OG-O 3.3Å; S363-Y365 VanDerWaalsContact OG-O 3.06Å
366S85.5Confident87.8Confident66 Ų6627 Ų2746%0.46215%0.153SC..  trans-86138.5177.3-48.70000110.3I405 K406S366-I405 WeakPolarHBondContact CA-O 3.26Å; S366-K406 WeakPolarHBondContact OG-CA 3.43Å
367T86.6Confident86.9Confident18 Ų1827 Ų2711%0.1115%0.148CC..EExtended strand (participates in β ladder)trans-136.2161.6176.9-164.50000111.5I335 I404 I405 V433I335-T367 HydrophobicContact CD1-CG2 3.4Å; I335-T367 HydrophobicContact CG1-CG2 3.8Å; T367-I404 WeakPolarHBondContact O-CA 3.26Å; T367-I405 HydrophobicContact CG2-CG2 3.96Å; T367-I405 PolarHBondContact N-O 3Å; T367-I405 VanDerWaalsContact N-O 3.11Å; T367-I405 PolarHBondContact O-N 2.69Å; T367-V433 HydrophobicContact CG2-CG1 3.71Å
368V90Very high85.9Confident17 Ų1733.4 Ų33.410%0.10318%0.18CC..EExtended strand (participates in β ladder)trans-82.6133.5173.7179.20000109.1G403 I404 Y746 V748V368-G403 WeakPolarHBondContact CA-O 3.32Å; V368-I404 HydrophobicContact CG2-CG1 4.16Å; V368-Y746 HydrophobicContact CG1-CD1 3.9Å; V368-Y746 HydrophobicContact CG1-CG 4.13Å; V368-Y746 HydrophobicContact CG2-CD1 3.89Å; V368-Y746 HydrophobicContact CG2-CE1 4.16Å; V368-V748 HydrophobicContact CG1-CG2 4.27Å
369Y93Very high84.6Confident8 Ų836.1 Ų36.13%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-123.2152.4171.678.8-81.5000110.5I359 I400 N402 G403 I405 L411 L431 L432I359-Y369 HydrophobicContact CD1-CD2 3.75Å; I359-Y369 HydrophobicContact CD1-CE2 3.65Å; Y369-I400 PolarHBondContact OH-O 2.87Å; Y369-I400 VanDerWaalsContact OH-O 3.05Å; Y369-N402 WeakPolarHBondContact O-CA 3.31Å; Y369-G403 WeakPolarHBondContact CD1-O 3.17Å; Y369-G403 PolarHBondContact N-O 3.17Å; Y369-G403 PolarHBondContact O-N 3.18Å; Y369-I405 HydrophobicContact CD1-CB 3.86Å; Y369-I405 HydrophobicContact CD1-CG2 4.09Å; Y369-I405 HydrophobicContact CE1-CB 4.2Å; Y369-L411 HydrophobicContact CD1-CD1 4.21Å; Y369-L411 HydrophobicContact CE1-CD1 3.31Å; Y369-L411 HydrophobicContact CE2-CD1 4.48Å; Y369-L411 VanDerWaalsContact CZ-CD1 3.48Å; Y369-L411 WeakPolarHBondContact OH-CD1 3.44Å; Y369-L431 HydrophobicContact CD2-CD1 4Å; Y369-L432 CarbonylContact C-O 3.56Å; Y369-L432 WeakPolarHBondContact CA-O 3.48Å
370E94.3Very high83.2Confident14 Ų1440.5 Ų40.57%0.06521%0.214CC..EExtended strand (participates in β ladder)trans-137.2128.9168.2177.9-177.6178.800108.8V372 S401 N402 L431 L432 K747 V748E370-V372 HydrophobicContact CG-CG2 4.32Å; E370-S401 CarbonylContact C-O 3.58Å; E370-N402 HydrophobicContact CB-CB 4.43Å; E370-N402 HydrophobicContact CG-CB 4.42Å; E370-L431 CarbonylContact O-C 3.53Å; E370-L432 HydrophobicContact CB-CB 4.43Å; E370-L432 PolarHBondContact N-O 3.28Å; E370-L432 PolarHBondContact O-N 2.74Å; E370-K747 WeakPolarHBondContact OE1-CD 3.22Å; E370-K747 WeakPolarHBondContact OE1-CE 3.36Å; E370-K747 IonicContact OE1-NZ 2.65Å; E370-K747 PolarHBondContact OE1-NZ 3.45Å; E370-K747 WeakPolarHBondContact OE2-CA 3.43Å; E370-K747 WeakPolarHBondContact OE2-CD 3.22Å; E370-K747 IonicContact OE2-NZ 3.96Å; E370-V748 HydrophobicContact CB-CB 4.32Å; E370-V748 HydrophobicContact CB-CG2 3.97Å; E370-V748 PolarHBondContact OE2-N 2.86Å
371L93.9Very high81.5Confident4 Ų440.5 Ų40.52%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-99.1104.6168.6-176.468.3000108.6A373 I396 S401 L413 F429 L431L371-A373 HydrophobicContact CD2-CB 4.46Å; L371-A373 HydrophobicContact CG-CB 4.24Å; L371-A373 PolarHBondContact O-N 2.74Å; L371-A373 VanDerWaalsContact O-N 3.11Å; L371-I396 HydrophobicContact CD2-CD1 4Å; L371-S401 PolarHBondContact N-O 2.79Å; L371-L413 HydrophobicContact CD2-CD1 3.44Å; L371-L413 VanDerWaalsContact CD2-CD1 3.44Å; L371-F429 HydrophobicContact CD1-CB 4.18Å; L371-F429 HydrophobicContact CD2-CD2 4.32Å; L371-L431 HydrophobicContact CB-CD1 4.5Å; L371-L431 HydrophobicContact CD1-CB 4.14Å
372V90.8Very high80.1Confident19 Ų1949.6 Ų49.612%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-73102.1172.3-172.80000108.1E370 T430 L432 M498E370-V372 HydrophobicContact CG-CG2 4.32Å; V372-T430 PolarHBondContact N-O 2.77Å; V372-T430 PolarHBondContact O-N 2.92Å; V372-T430 VanDerWaalsContact O-N 3.1Å; V372-L432 HydrophobicContact CG2-CD1 3.65Å; V372-L432 HydrophobicContact CG2-CG 4.11Å; V372-M498 HydrophobicContact CG1-CE 3.72Å
373A88.8Confident79.1Confident18 Ų1851.6 Ų51.615%0.14927%0.271CS..  trans-134.2175.5-172.700000110.4L371 I396 F429L371-A373 HydrophobicContact CD2-CB 4.46Å; L371-A373 HydrophobicContact CG-CB 4.24Å; L371-A373 PolarHBondContact O-N 2.74Å; L371-A373 VanDerWaalsContact O-N 3.11Å; A373-I396 HydrophobicContact CB-CD1 3.67Å; A373-I396 HydrophobicContact CB-CG1 4.34Å; A373-F429 HydrophobicContact CB-CD1 4.18Å; A373-F429 HydrophobicContact CB-CD2 3.62Å; A373-F429 HydrophobicContact CB-CE1 3.99Å; A373-F429 HydrophobicContact CB-CE2 3.41Å; A373-F429 VanDerWaalsContact CB-CE2 3.41Å; A373-F429 HydrophobicContact CB-CG 4Å; A373-F429 HydrophobicContact CB-CZ 3.6Å
374G81.1Confident78Confident5 Ų558.1 Ų58.15%0.05231%0.305CS..  trans-66.7147176.400000114.3S376G374-S376 PolarHBondContact O-N 3.28Å; G374-S376 PolarHBondContact O-OG 3.18Å
375Q79.4Confident77.4Confident22 Ų2260.1 Ų60.110%0.10331%0.313CS..  trans-61.7112.9-177-168.1167.84.600111.1Q377 S391Q375-Q377 HydrophobicContact CG-CG 4.3Å; Q375-S391 PolarHBondContact O-N 3.19Å
376S77.1Confident76.9Confident34 Ų3461 Ų6124%0.23833%0.326CS..EExtended strand (participates in β ladder)trans-131.8109.3173-52.30000106.7G374 I389 P395 I396G374-S376 PolarHBondContact O-N 3.28Å; G374-S376 PolarHBondContact O-OG 3.18Å; S376-I389 WeakPolarHBondContact CA-O 3.36Å; S376-P395 WeakPolarHBondContact OG-CA 3.35Å; S376-I396 PolarHBondContact OG-N 3.41Å
377Q74.2Confident76Confident77 Ų7759.3 Ų59.336%0.3631%0.31SS..EExtended strand (participates in β ladder)trans-119126.5-176.1-76.3179.5-2.300110.4Q375 Y379 T388 I389Q375-Q377 HydrophobicContact CG-CG 4.3Å; Q377-Y379 HydrophobicContact CB-CD2 4.38Å; Q377-Y379 HydrophobicContact CB-CE2 3.72Å; Q377-Y379 PolarHBondContact OE1-OH 3.02Å; Q377-T388 CarbonylContact O-C 3.51Å; Q377-T388 WeakPolarHBondContact O-CA 3.17Å; Q377-I389 PolarHBondContact N-O 3.39Å; Q377-I389 PolarHBondContact O-N 2.9Å
378M72.2Confident75.5Confident134 Ų13459.4 Ų59.466%0.6631%0.31SS*.EExtended strand (participates in β ladder)trans-90.3123.9175.4-162.9177.373.800109.3F387M378-F387 CarbonylContact C-O 3.56Å; M378-F387 WeakPolarHBondContact CA-O 3.39Å
379Y67.2Low74.9Confident95 Ų9559.1 Ų59.137%0.37331%0.308SS..EExtended strand (participates in β ladder)trans-109142.7174-69.3-92.2000108.9Q377 S386 F387 I389Q377-Y379 HydrophobicContact CB-CD2 4.38Å; Q377-Y379 HydrophobicContact CB-CE2 3.72Å; Q377-Y379 PolarHBondContact OE1-OH 3.02Å; Y379-S386 CarbonylContact O-C 3.53Å; Y379-S386 WeakPolarHBondContact O-CA 3.45Å; Y379-F387 HydrophobicContact CD2-CE2 4.26Å; Y379-F387 HydrophobicContact CG-CE2 4.12Å; Y379-F387 HydrophobicContact CG-CZ 4.34Å; Y379-F387 PolarHBondContact N-O 3.11Å; Y379-F387 PolarHBondContact O-N 3.1Å; Y379-I389 HydrophobicContact CD2-CB 4.23Å; Y379-I389 HydrophobicContact CD2-CD1 3.61Å; Y379-I389 HydrophobicContact CD2-CG1 3.7Å; Y379-I389 HydrophobicContact CE2-CB 3.99Å; Y379-I389 HydrophobicContact CE2-CD1 3.47Å; Y379-I389 VanDerWaalsContact CE2-CD1 3.47Å; Y379-I389 HydrophobicContact CE2-CG1 3.82Å; Y379-I389 HydrophobicContact CG-CD1 4.48Å
380T65Low74.6Confident92 Ų9258.9 Ų58.956%0.56431%0.307SS*.EExtended strand (participates in β ladder)trans-105.6120.6167.947.90000108.2Q385T380-Q385 WeakPolarHBondContact CA-O 3.47Å
381D59.3Low74.1Confident39 Ų3958.4 Ų58.421%0.20931%0.306CS..  trans-66.2168.6172.7-161.914.3000111.2N383 N384 Q385 F387D381-N383 PolarHBondContact O-N 3.04Å; D381-N384 WeakPolarHBondContact O-CA 3.27Å; D381-N384 PolarHBondContact O-N 2.82Å; D381-Q385 PolarHBondContact N-O 2.92Å; D381-F387 HydrophobicContact CB-CD1 4.49Å; D381-F387 HydrophobicContact CB-CE1 3.93Å
382E61.5Low74Confident191 Ų19158.5 Ų58.589%0.89331%0.306SS*.THydrogen-bonded Turntrans-55.2-26.4173-63.5-171176.600112.4N384E382-N384 PolarHBondContact O-N 3.15Å
383N65.4Low74Confident123 Ų12358 Ų5866%0.65830%0.303SS*.THydrogen-bonded Turntrans-809.9174.4-64.4-38.9000114.2D381 Q385D381-N383 PolarHBondContact O-N 3.04Å; N383-Q385 PolarHBondContact O-N 3.36Å; N383-Q385 VanDerWaalsContact O-N 3.09Å
384N60.7Low74.3Confident142 Ų14257.1 Ų57.176%0.75930%0.296SS*.SBendtrans56.916.9-171.7-96-9.1000114.2D381 E382D381-N384 WeakPolarHBondContact O-CA 3.27Å; D381-N384 PolarHBondContact O-N 2.82Å; E382-N384 PolarHBondContact O-N 3.15Å
385Q63.8Low74.8Confident100 Ų10056.9 Ų56.947%0.46729%0.294SS..  trans-81.2119172.6-78.1-175.7-26.600109.4T380 D381 N383T380-Q385 WeakPolarHBondContact CA-O 3.47Å; D381-Q385 PolarHBondContact N-O 2.92Å; N383-Q385 PolarHBondContact O-N 3.36Å; N383-Q385 VanDerWaalsContact O-N 3.09Å
386S64.5Low75.3Confident64 Ų6456.7 Ų56.745%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-84.6123.8176.558.10000110.6Y379Y379-S386 CarbonylContact O-C 3.53Å; Y379-S386 WeakPolarHBondContact O-CA 3.45Å
387F66.6Low75.8Confident30 Ų3056.5 Ų56.513%0.13229%0.289CS..EExtended strand (participates in β ladder)trans-123.5151.1170.556.4-87.8000110.5M378 Y379 D381 I389 H576M378-F387 CarbonylContact C-O 3.56Å; M378-F387 WeakPolarHBondContact CA-O 3.39Å; Y379-F387 HydrophobicContact CD2-CE2 4.26Å; Y379-F387 HydrophobicContact CG-CE2 4.12Å; Y379-F387 HydrophobicContact CG-CZ 4.34Å; Y379-F387 PolarHBondContact N-O 3.11Å; Y379-F387 PolarHBondContact O-N 3.1Å; D381-F387 HydrophobicContact CB-CD1 4.49Å; D381-F387 HydrophobicContact CB-CE1 3.93Å; F387-I389 HydrophobicContact CD2-CG1 4.08Å; F387-I389 HydrophobicContact CE2-CD1 4.05Å; F387-I389 HydrophobicContact CE2-CG1 4.05Å; F387-H576 VanDerWaalsContact CB-CE1 3.42Å; F387-H576 WeakPolarHBondContact CB-CE1 3.36Å; F387-H576 WeakPolarHBondContact CB-NE2 3.35Å; F387-H576 AromaticContact CD2-CD2 3.43Å; F387-H576 VanDerWaalsContact CD2-CD2 3.43Å; F387-H576 WeakPolarHBondContact CD2-CD2 3.1Å; F387-H576 AromaticContact CD2-NE2 3.27Å; F387-H576 VanDerWaalsContact CD2-NE2 3.27Å; F387-H576 WeakPolarHBondContact CD2-NE2 3.3Å; F387-H576 AromaticContact CG-CD2 3.88Å; F387-H576 AromaticContact CG-NE2 3.18Å; F387-H576 WeakPolarHBondContact CG-NE2 3.11Å
388T76.9Confident76.3Confident19 Ų1959.7 Ų59.712%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-108.2123.6-179.3-52.10000109.6Q377 V390 L577Q377-T388 CarbonylContact O-C 3.51Å; Q377-T388 WeakPolarHBondContact O-CA 3.17Å; T388-V390 HydrophobicContact CG2-CG1 3.87Å; T388-L577 PolarHBondContact N-O 2.73Å; T388-L577 WeakPolarHBondContact O-CA 3.46Å; T388-L577 WeakPolarHBondContact O-CB 3.4Å; T388-L577 PolarHBondContact O-N 3.09Å
389I78.3Confident76.9Confident11 Ų1155.2 Ų55.26%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-91.5127.7169-57.2-176.3000107.6S376 Q377 Y379 F387 N574 K575 I594S376-I389 WeakPolarHBondContact CA-O 3.36Å; Q377-I389 PolarHBondContact N-O 3.39Å; Q377-I389 PolarHBondContact O-N 2.9Å; Y379-I389 HydrophobicContact CD2-CB 4.23Å; Y379-I389 HydrophobicContact CD2-CD1 3.61Å; Y379-I389 HydrophobicContact CD2-CG1 3.7Å; Y379-I389 HydrophobicContact CE2-CB 3.99Å; Y379-I389 HydrophobicContact CE2-CD1 3.47Å; Y379-I389 VanDerWaalsContact CE2-CD1 3.47Å; Y379-I389 HydrophobicContact CE2-CG1 3.82Å; Y379-I389 HydrophobicContact CG-CD1 4.48Å; F387-I389 HydrophobicContact CD2-CG1 4.08Å; F387-I389 HydrophobicContact CE2-CD1 4.05Å; F387-I389 HydrophobicContact CE2-CG1 4.05Å; I389-N574 HydrophobicContact CG2-CB 3.97Å; I389-K575 WeakPolarHBondContact CA-O 3.46Å; I389-I594 HydrophobicContact CD1-CD1 3.71Å; I389-I594 HydrophobicContact CD1-CG1 3.98Å; I389-I594 HydrophobicContact CD1-CG2 3.66Å; I389-I594 HydrophobicContact CG2-CG2 4.29Å
390V86Confident77.8Confident3 Ų356.4 Ų56.42%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-121134.1179.9-59.70000109.7T388 P395 Y418 K575 L577T388-V390 HydrophobicContact CG2-CG1 3.87Å; V390-P395 HydrophobicContact CB-CB 4.05Å; V390-P395 HydrophobicContact CG1-CB 3.55Å; V390-P395 HydrophobicContact CG1-CG 4.39Å; V390-Y418 HydrophobicContact CG2-CD1 4.26Å; V390-K575 PolarHBondContact N-O 2.9Å; V390-K575 PolarHBondContact O-N 3.09Å; V390-L577 HydrophobicContact CG1-CB 3.99Å; V390-L577 HydrophobicContact CG1-CD2 4.08Å; V390-L577 HydrophobicContact CG2-CB 4.05Å
391S84.4Confident78.9Confident4 Ų454 Ų543%0.02829%0.289CS..  trans-1128.3175.2-40.80000111.2Q375 T572 N574 Q629Q375-S391 PolarHBondContact O-N 3.19Å; S391-T572 WeakPolarHBondContact O-CB 3.47Å; S391-T572 PolarHBondContact O-OG1 3.11Å; S391-N574 VanDerWaalsContact CB-OD1 3.27Å; S391-N574 WeakPolarHBondContact CB-OD1 3.17Å; S391-N574 PolarHBondContact OG-OD1 2.71Å; S391-Q629 VanDerWaalsContact CB-NE2 3.33Å; S391-Q629 PolarHBondContact OG-NE2 2.91Å
392T91Very high80.4Confident6 Ų653.7 Ų53.74%0.03729%0.287CS..SBendtrans-122.6151-176-176.10000110.8F394 P395 R427 E632T392-F394 PolarHBondContact OG1-N 2.65Å; T392-P395 VanDerWaalsContact CG2-CA 3.45Å; T392-P395 HydrophobicContact CG2-CB 3.97Å; T392-R427 PolarHBondContact OG1-NH1 2.69Å; T392-E632 WeakPolarHBondContact CA-OE1 3.47Å; T392-E632 WeakPolarHBondContact CB-OE1 3.15Å; T392-E632 WeakPolarHBondContact CB-OE2 2.98Å; T392-E632 PolarHBondContact OG1-OE1 2.75Å; T392-E632 PolarHBondContact OG1-OE2 2.61Å
393V91.6Very high81.8Confident8 Ų845 Ų455%0.04825%0.249CC..SBendtrans-74.5-19.2169.2179.30000111.2P395 F417 Y418 P419 F425 T572 F634V393-P395 WeakPolarHBondContact O-CD 3.37Å; V393-F417 HydrophobicContact CG1-CD2 3.57Å; V393-F417 HydrophobicContact CG1-CE2 3.37Å; V393-F417 HydrophobicContact CG1-CZ 4.49Å; V393-F417 CarbonylContact O-C 3.58Å; V393-F417 WeakPolarHBondContact O-CA 3.32Å; V393-Y418 PolarHBondContact O-N 2.82Å; V393-P419 HydrophobicContact CG1-CB 4.06Å; V393-F425 HydrophobicContact CB-CD1 4.17Å; V393-F425 HydrophobicContact CB-CE1 4.48Å; V393-F425 HydrophobicContact CG1-CB 4.46Å; V393-F425 HydrophobicContact CG1-CD1 3.85Å; V393-F425 HydrophobicContact CG1-CD2 4.48Å; V393-F425 HydrophobicContact CG1-CE1 4.19Å; V393-F425 HydrophobicContact CG1-CG 4Å; V393-F425 HydrophobicContact CG2-CD1 3.93Å; V393-F425 HydrophobicContact CG2-CE1 3.8Å; V393-T572 HydrophobicContact CG2-CG2 3.81Å; V393-F634 HydrophobicContact CB-CE2 4.05Å; V393-F634 HydrophobicContact CB-CZ 4.2Å; V393-F634 HydrophobicContact CG2-CD2 4.18Å; V393-F634 HydrophobicContact CG2-CE2 3.65Å; V393-F634 HydrophobicContact CG2-CZ 4.3Å
394F94Very high83.1Confident0 Ų043.1 Ų43.10%024%0.238CC..SBendtrans-115.866.1-179.6-63.1-72.8000112.9F344 T392 G416 F417 F425 R427 F429 L443 F634F344-F394 HydrophobicContact CD2-CD1 4.21Å; F344-F394 AromaticContact CD2-CE1 3.78Å; F344-F394 HydrophobicContact CD2-CE1 3.78Å; F344-F394 AromaticContact CE2-CD1 3.6Å; F344-F394 HydrophobicContact CE2-CD1 3.6Å; F344-F394 AromaticContact CE2-CE1 3.57Å; F344-F394 HydrophobicContact CE2-CE1 3.57Å; F344-F394 HydrophobicContact CZ-CD1 4.21Å; T392-F394 PolarHBondContact OG1-N 2.65Å; F394-G416 CarbonylContact C-O 3.51Å; F394-G416 WeakPolarHBondContact CA-O 3.42Å; F394-F417 HydrophobicContact CD1-CB 4.37Å; F394-F417 AromaticContact CD1-CD2 3.91Å; F394-F417 HydrophobicContact CD1-CD2 3.91Å; F394-F417 HydrophobicContact CE1-CB 4.39Å; F394-F417 AromaticContact CE1-CD2 3.45Å; F394-F417 HydrophobicContact CE1-CD2 3.45Å; F394-F417 VanDerWaalsContact CE1-CD2 3.45Å; F394-F417 HydrophobicContact CE1-CE2 4.09Å; F394-F417 HydrophobicContact CE1-CG 4.22Å; F394-F417 HydrophobicContact CZ-CD2 4.02Å; F394-F417 HydrophobicContact CZ-CE2 4.22Å; F394-F425 HydrophobicContact CE2-CB 3.89Å; F394-F425 HydrophobicContact CZ-CB 3.7Å; F394-R427 HydrophobicContact CD2-CB 3.72Å; F394-R427 HydrophobicContact CE2-CB 3.85Å; F394-F429 HydrophobicContact CB-CE1 4.46Å; F394-F429 HydrophobicContact CB-CZ 4.06Å; F394-F429 VanDerWaalsContact O-CZ 3.31Å; F394-F429 WeakPolarHBondContact O-CZ 3.35Å; F394-L443 HydrophobicContact CB-CD1 3.6Å; F394-L443 HydrophobicContact CD1-CB 3.9Å; F394-L443 HydrophobicContact CD1-CD1 4.06Å; F394-L443 HydrophobicContact CD2-CB 4.31Å; F394-L443 HydrophobicContact CD2-CD1 4.33Å; F394-L443 HydrophobicContact CE1-CB 3.89Å; F394-L443 HydrophobicContact CE2-CB 4.3Å; F394-L443 HydrophobicContact CG-CB 4.11Å; F394-L443 HydrophobicContact CG-CD1 3.76Å; F394-L443 HydrophobicContact CZ-CB 4.08Å; F394-F634 HydrophobicContact CD2-CZ 4.35Å; F394-F634 HydrophobicContact CE2-CE1 4.19Å; F394-F634 HydrophobicContact CE2-CZ 4.28Å
395P92.4Very high84.5Confident0 Ų036.3 Ų36.30%020%0.202CC..  trans-71.4148.5-171.628.8-36.2000113.3S376 V390 T392 V393 I397 I415 G416 L577S376-P395 WeakPolarHBondContact OG-CA 3.35Å; V390-P395 HydrophobicContact CB-CB 4.05Å; V390-P395 HydrophobicContact CG1-CB 3.55Å; V390-P395 HydrophobicContact CG1-CG 4.39Å; T392-P395 VanDerWaalsContact CG2-CA 3.45Å; T392-P395 HydrophobicContact CG2-CB 3.97Å; V393-P395 WeakPolarHBondContact O-CD 3.37Å; P395-I397 PolarHBondContact O-N 3.31Å; P395-I415 CarbonylContact O-C 3.42Å; P395-I415 WeakPolarHBondContact O-CA 3.32Å; P395-G416 PolarHBondContact O-N 2.84Å; P395-L577 HydrophobicContact CG-CD2 4.46Å
396I90.3Very high85.7Confident18 Ų1837.9 Ų37.99%0.09221%0.207CC..EExtended strand (participates in β ladder)trans-81.5103.1164.4-61.4175.1000106.8L371 A373 S376 F429L371-I396 HydrophobicContact CD2-CD1 4Å; A373-I396 HydrophobicContact CB-CD1 3.67Å; A373-I396 HydrophobicContact CB-CG1 4.34Å; S376-I396 PolarHBondContact OG-N 3.41Å; I396-F429 HydrophobicContact CG1-CE2 4.45Å
397I86Confident86.7Confident31 Ų3137.1 Ų37.116%0.15920%0.202CC..EExtended strand (participates in β ladder)trans-73-41.4-178-56.5172.2000110.3L352 H354 P395 I414 L577 V579L352-I397 HydrophobicContact CD1-CD1 4.03Å; L352-I397 HydrophobicContact CD2-CD1 4.01Å; L352-I397 HydrophobicContact CG-CD1 4.27Å; H354-I397 HydrophobicContact CB-CD1 3.57Å; P395-I397 PolarHBondContact O-N 3.31Å; I397-I414 HydrophobicContact CB-CB 4.45Å; I397-I414 HydrophobicContact CB-CG2 4.23Å; I397-I414 HydrophobicContact CD1-CG2 4.21Å; I397-I414 PolarHBondContact N-O 2.83Å; I397-L577 HydrophobicContact CG1-CD2 4.49Å; I397-V579 HydrophobicContact CG2-CG1 4.38Å; I397-V579 HydrophobicContact CG2-CG2 4.17Å
398K85.2Confident87.7Confident144 Ų14441.6 Ų41.663%0.62622%0.221SC*.EExtended strand (participates in β ladder)trans-145.5139.3-179.5-172.8179.7179.8179.90110.3I414K398-I414 HydrophobicContact CB-CB 3.98Å; K398-I414 HydrophobicContact CB-CD1 3.9Å; K398-I414 HydrophobicContact CB-CG1 3.96Å; K398-I414 HydrophobicContact CD-CD1 3.91Å; K398-I414 HydrophobicContact CG-CD1 4.45Å; K398-I414 PolarHBondContact N-O 3.25Å; K398-I414 PolarHBondContact O-N 2.89Å
399G84.6Confident88.5Confident40 Ų4043.7 Ų43.741%0.41223%0.23SC..SBendtrans116.4162.7-178.300000111.3
400I86Confident89.2Confident119 Ų11946.4 Ų46.461%0.6125%0.247SC*.  trans-102133.2-179.4-45.6176.2000107.3Y369 N402Y369-I400 PolarHBondContact OH-O 2.87Å; Y369-I400 VanDerWaalsContact OH-O 3.05Å; I400-N402 VanDerWaalsContact C-N 3.31Å; I400-N402 WeakPolarHBondContact CG2-O 3.33Å
401S87.6Confident89.5Confident43 Ų4348 Ų4830%0.30126%0.255SS..SBendtrans-80.2-10.1-178.955.70000113.6E370 L371E370-S401 CarbonylContact C-O 3.58Å; L371-S401 PolarHBondContact N-O 2.79Å
402N92.4Very high89.9Confident31 Ų3154 Ų5417%0.16628%0.283CS..EExtended strand (participates in β ladder)trans-150156.3178.264.487.6000111Y369 E370 I400 Y746Y369-N402 WeakPolarHBondContact O-CA 3.31Å; E370-N402 HydrophobicContact CB-CB 4.43Å; E370-N402 HydrophobicContact CG-CB 4.42Å; I400-N402 VanDerWaalsContact C-N 3.31Å; I400-N402 WeakPolarHBondContact CG2-O 3.33Å; N402-Y746 WeakPolarHBondContact CB-O 3.45Å; N402-Y746 PolarHBondContact OD1-N 2.77Å; N402-Y746 PolarHBondContact OD1-O 2.8Å
403G91.1Very high90Very high10 Ų1053.9 Ų53.910%0.10328%0.282CS..EExtended strand (participates in β ladder)trans155.3-163.6175.900000113.4V368 Y369V368-G403 WeakPolarHBondContact CA-O 3.32Å; Y369-G403 WeakPolarHBondContact CD1-O 3.17Å; Y369-G403 PolarHBondContact N-O 3.17Å; Y369-G403 PolarHBondContact O-N 3.18Å
404I91.1Very high90Very high82 Ų8255.3 Ų55.342%0.42129%0.289SS..EExtended strand (participates in β ladder)trans-98.5123.5173.1-60.7172.9000108.4T367 V368 Y746T367-I404 WeakPolarHBondContact O-CA 3.26Å; V368-I404 HydrophobicContact CG2-CG1 4.16Å; I404-Y746 HydrophobicContact CD1-CE1 4.16Å; I404-Y746 WeakPolarHBondContact CD1-OH 3.35Å; I404-Y746 HydrophobicContact CG1-CE1 4.06Å; I404-Y746 HydrophobicContact CG1-CE2 4.38Å
405I90.6Very high90Very high0 Ų055.3 Ų55.30%029%0.289CS..EExtended strand (participates in β ladder)trans-95.3121.2168.5-169.9166.9000108.8I335 I359 N361 S366 T367 Y369 E409 L411I335-I405 HydrophobicContact CG1-CG2 4.07Å; I359-I405 HydrophobicContact CB-CD1 4.37Å; I359-I405 HydrophobicContact CG2-CD1 3.78Å; I359-I405 WeakPolarHBondContact O-CD1 3.49Å; N361-I405 HydrophobicContact CB-CB 4.5Å; N361-I405 HydrophobicContact CB-CD1 3.71Å; N361-I405 HydrophobicContact CB-CG1 3.73Å; N361-I405 HydrophobicContact CB-CG2 4.05Å; N361-I405 PolarHBondContact ND2-O 3.19Å; S366-I405 WeakPolarHBondContact CA-O 3.26Å; T367-I405 HydrophobicContact CG2-CG2 3.96Å; T367-I405 PolarHBondContact N-O 3Å; T367-I405 VanDerWaalsContact N-O 3.11Å; T367-I405 PolarHBondContact O-N 2.69Å; Y369-I405 HydrophobicContact CD1-CB 3.86Å; Y369-I405 HydrophobicContact CD1-CG2 4.09Å; Y369-I405 HydrophobicContact CE1-CB 4.2Å; I405-E409 HydrophobicContact CG1-CB 4.04Å; I405-E409 HydrophobicContact CG1-CG 4.4Å; I405-L411 HydrophobicContact CB-CD1 3.91Å; I405-L411 HydrophobicContact CD1-CB 4.49Å; I405-L411 HydrophobicContact CD1-CD1 3.86Å; I405-L411 HydrophobicContact CD1-CG 3.9Å; I405-L411 HydrophobicContact CG1-CD1 3.81Å; I405-L411 HydrophobicContact CG1-CG 4Å
406K89.2Confident90Very high132 Ų13255.3 Ų55.357%0.57429%0.289SS*.PPolyproline II helixtrans-70.6159.7-177.8-63.5172.8-177.5170.20111.1N361 S366 K408 E409N361-K406 WeakPolarHBondContact CB-O 3.38Å; N361-K406 PolarHBondContact ND2-O 2.87Å; S366-K406 WeakPolarHBondContact OG-CA 3.43Å; K406-K408 PolarHBondContact O-N 3.19Å; K406-E409 HydrophobicContact CB-CB 4Å; K406-E409 VanDerWaalsContact CB-OE2 3.27Å; K406-E409 WeakPolarHBondContact CB-OE2 3.48Å; K406-E409 WeakPolarHBondContact CG-OE2 3.45Å; K406-E409 PolarHBondContact N-OE2 3.25Å; K406-E409 VanDerWaalsContact O-CB 3.25Å; K406-E409 WeakPolarHBondContact O-CB 3.36Å; K406-E409 PolarHBondContact O-N 3.35Å
407S85.9Confident90.2Very high48 Ų4854.5 Ų54.534%0.33629%0.285SS..THydrogen-bonded Turntrans-49.2127.8171.5177.70000111.1S363 D364 E409S363-S407 PolarHBondContact O-OG 2.8Å; D364-S407 VanDerWaalsContact CA-OG 3.23Å; D364-S407 WeakPolarHBondContact CA-OG 3.49Å; D364-S407 PolarHBondContact O-OG 2.86Å; S407-E409 PolarHBondContact O-N 3.04Å; S407-E409 VanDerWaalsContact O-N 3.11Å
408K87.3Confident90.5Very high125 Ų12555.2 Ų55.254%0.54329%0.286SS..THydrogen-bonded Turntrans59.213.8-178.5-51.3-59-178.4-175.30116.1N361 H362 S363 D364 K406N361-K408 WeakPolarHBondContact O-CA 3.49Å; N361-K408 PolarHBondContact O-N 2.94Å; H362-K408 PolarHBondContact O-NZ 2.71Å; S363-K408 PolarHBondContact O-N 3.25Å; D364-K408 WeakPolarHBondContact OD1-CE 3.1Å; D364-K408 IonicContact OD1-NZ 3.77Å; D364-K408 PolarHBondContact OD1-NZ 2.85Å; K406-K408 PolarHBondContact O-N 3.19Å
409E93Very high90.9Very high62 Ų6248.3 Ų48.329%0.2926%0.256SS..  trans-78.9150.6177.7-174170.5-145.800111.7N361 I405 K406 S407 L411N361-E409 PolarHBondContact N-O 2.96Å; I405-E409 HydrophobicContact CG1-CB 4.04Å; I405-E409 HydrophobicContact CG1-CG 4.4Å; K406-E409 HydrophobicContact CB-CB 4Å; K406-E409 VanDerWaalsContact CB-OE2 3.27Å; K406-E409 WeakPolarHBondContact CB-OE2 3.48Å; K406-E409 WeakPolarHBondContact CG-OE2 3.45Å; K406-E409 PolarHBondContact N-OE2 3.25Å; K406-E409 VanDerWaalsContact O-CB 3.25Å; K406-E409 WeakPolarHBondContact O-CB 3.36Å; K406-E409 PolarHBondContact O-N 3.35Å; S407-E409 PolarHBondContact O-N 3.04Å; S407-E409 VanDerWaalsContact O-N 3.11Å; E409-L411 HydrophobicContact CG-CD2 4.13Å; E409-L411 HydrophobicContact CG-CG 4.43Å
410T93.9Very high91.1Very high69 Ų6949.5 Ų49.542%0.42325%0.251SS..EExtended strand (participates in β ladder)trans-122.1118.1170.7-62.10000108.9N358 I359 I360N358-T410 HydrophobicContact CB-CG2 3.73Å; I359-T410 CarbonylContact O-C 3.48Å; I359-T410 WeakPolarHBondContact O-CA 3.4Å; I360-T410 HydrophobicContact CG1-CG2 3.83Å
411L92.7Very high91.4Very high36 Ų3645.3 Ų45.319%0.18823%0.23CC..EExtended strand (participates in β ladder)trans-98.5129.9176.9-63177000109.6N358 I359 Y369 I405 E409N358-L411 CarbonylContact C-O 3.53Å; N358-L411 WeakPolarHBondContact CA-O 3.33Å; I359-L411 HydrophobicContact CB-CB 4.43Å; I359-L411 PolarHBondContact N-O 3.35Å; I359-L411 PolarHBondContact O-N 2.83Å; Y369-L411 HydrophobicContact CD1-CD1 4.21Å; Y369-L411 HydrophobicContact CE1-CD1 3.31Å; Y369-L411 HydrophobicContact CE2-CD1 4.48Å; Y369-L411 VanDerWaalsContact CZ-CD1 3.48Å; Y369-L411 WeakPolarHBondContact OH-CD1 3.44Å; I405-L411 HydrophobicContact CB-CD1 3.91Å; I405-L411 HydrophobicContact CD1-CB 4.49Å; I405-L411 HydrophobicContact CD1-CD1 3.86Å; I405-L411 HydrophobicContact CD1-CG 3.9Å; I405-L411 HydrophobicContact CG1-CD1 3.81Å; I405-L411 HydrophobicContact CG1-CG 4Å; E409-L411 HydrophobicContact CG-CD2 4.13Å; E409-L411 HydrophobicContact CG-CG 4.43Å
412Q92.8Very high91.7Very high131 Ų13144 Ų4461%0.61222%0.221SC*.EExtended strand (participates in β ladder)trans-98.2131.1178.4-55.9-166.5-18.600110.9V356 N358V356-Q412 HydrophobicContact CG1-CB 4.4Å; N358-Q412 WeakPolarHBondContact OD1-CG 3.29Å
413L91.6Very high91.8Very high2 Ų242.9 Ų42.91%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-116.4132.8174.4-60.5174.6000109.2V356 V357 I359 L371V356-L413 CarbonylContact C-O 3.58Å; V356-L413 WeakPolarHBondContact CA-O 3.32Å; V357-L413 PolarHBondContact N-O 2.78Å; V357-L413 WeakPolarHBondContact O-CA 3.1Å; V357-L413 WeakPolarHBondContact O-CB 3.23Å; V357-L413 PolarHBondContact O-N 3.24Å; I359-L413 HydrophobicContact CD1-CD1 3.62Å; I359-L413 HydrophobicContact CD1-CG 4.44Å; I359-L413 HydrophobicContact CG1-CD1 4Å; L371-L413 HydrophobicContact CD2-CD1 3.44Å; L371-L413 VanDerWaalsContact CD2-CD1 3.44Å
414I92.9Very high92Very high39 Ų3942.7 Ų42.720%0.221%0.213CC..EExtended strand (participates in β ladder)trans-104.2108.7172.4-52.8-172.9000107.7H354 Q355 V356 I397 K398H354-I414 HydrophobicContact CB-CG2 3.84Å; Q355-I414 WeakPolarHBondContact O-CA 3.45Å; V356-I414 HydrophobicContact CG2-CG1 4.29Å; I397-I414 HydrophobicContact CB-CB 4.45Å; I397-I414 HydrophobicContact CB-CG2 4.23Å; I397-I414 HydrophobicContact CD1-CG2 4.21Å; I397-I414 PolarHBondContact N-O 2.83Å; K398-I414 HydrophobicContact CB-CB 3.98Å; K398-I414 HydrophobicContact CB-CD1 3.9Å; K398-I414 HydrophobicContact CB-CG1 3.96Å; K398-I414 HydrophobicContact CD-CD1 3.91Å; K398-I414 HydrophobicContact CG-CD1 4.45Å; K398-I414 PolarHBondContact N-O 3.25Å; K398-I414 PolarHBondContact O-N 2.89Å
415I93.6Very high92.1Very high0 Ų038.9 Ų38.90%019%0.193CC..EExtended strand (participates in β ladder)trans-99.8127.9-179.8-55.2176000108.5F344 H354 Q355 V357 P395 F429 L441 L443F344-I415 WeakPolarHBondContact CE1-O 3.34Å; F344-I415 HydrophobicContact CZ-CG2 4.14Å; H354-I415 CarbonylContact C-O 3.58Å; H354-I415 WeakPolarHBondContact CA-O 3.04Å; H354-I415 WeakPolarHBondContact CB-O 3.49Å; Q355-I415 PolarHBondContact N-O 2.62Å; Q355-I415 PolarHBondContact O-N 3.08Å; V357-I415 HydrophobicContact CB-CD1 4.26Å; V357-I415 HydrophobicContact CG2-CD1 3.91Å; P395-I415 CarbonylContact O-C 3.42Å; P395-I415 WeakPolarHBondContact O-CA 3.32Å; I415-F429 HydrophobicContact CD1-CD2 4.36Å; I415-F429 HydrophobicContact CD1-CE2 4.36Å; I415-F429 HydrophobicContact CG2-CE2 4.34Å; I415-L441 HydrophobicContact CD1-CD2 3.46Å; I415-L441 VanDerWaalsContact CD1-CD2 3.46Å; I415-L443 HydrophobicContact CD1-CD2 4.35Å; I415-L443 HydrophobicContact CG2-CD1 4.04Å; I415-L443 HydrophobicContact CG2-CD2 4.41Å
416G92.1Very high92.3Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-92.1167.1177.300000113.7H353 F394 P395H353-G416 CarbonylContact O-C 3.56Å; H353-G416 WeakPolarHBondContact O-CA 3.43Å; F394-G416 CarbonylContact C-O 3.51Å; F394-G416 WeakPolarHBondContact CA-O 3.42Å; P395-G416 PolarHBondContact O-N 2.84Å
417F95.3Very high92.5Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-131113.5162.6176.3-124.3000107.3F344 T347 H353 V393 F394 P419 F425 C447F344-F417 HydrophobicContact CB-CB 3.87Å; F344-F417 HydrophobicContact CB-CD1 3.82Å; F344-F417 HydrophobicContact CB-CG 4.03Å; F344-F417 HydrophobicContact CD1-CB 3.49Å; F344-F417 VanDerWaalsContact CD1-CB 3.49Å; F344-F417 HydrophobicContact CD2-CB 3.68Å; F344-F417 HydrophobicContact CD2-CG 4.12Å; F344-F417 HydrophobicContact CE1-CB 3.88Å; F344-F417 HydrophobicContact CE2-CB 4.09Å; F344-F417 HydrophobicContact CG-CB 3.37Å; F344-F417 HydrophobicContact CG-CD1 4.27Å; F344-F417 AromaticContact CG-CG 3.97Å; F344-F417 HydrophobicContact CG-CG 3.97Å; F344-F417 HydrophobicContact CZ-CB 4.17Å; T347-F417 HydrophobicContact CG2-CD1 4.39Å; T347-F417 WeakPolarHBondContact OG1-CD1 3.28Å; H353-F417 PolarHBondContact N-O 2.85Å; H353-F417 PolarHBondContact O-N 2.97Å; V393-F417 HydrophobicContact CG1-CD2 3.57Å; V393-F417 HydrophobicContact CG1-CE2 3.37Å; V393-F417 HydrophobicContact CG1-CZ 4.49Å; V393-F417 CarbonylContact O-C 3.58Å; V393-F417 WeakPolarHBondContact O-CA 3.32Å; F394-F417 HydrophobicContact CD1-CB 4.37Å; F394-F417 AromaticContact CD1-CD2 3.91Å; F394-F417 HydrophobicContact CD1-CD2 3.91Å; F394-F417 HydrophobicContact CE1-CB 4.39Å; F394-F417 AromaticContact CE1-CD2 3.45Å; F394-F417 HydrophobicContact CE1-CD2 3.45Å; F394-F417 VanDerWaalsContact CE1-CD2 3.45Å; F394-F417 HydrophobicContact CE1-CE2 4.09Å; F394-F417 HydrophobicContact CE1-CG 4.22Å; F394-F417 HydrophobicContact CZ-CD2 4.02Å; F394-F417 HydrophobicContact CZ-CE2 4.22Å; F417-P419 HydrophobicContact CD1-CG 4.31Å; F417-P419 HydrophobicContact CE1-CB 4.45Å; F417-P419 HydrophobicContact CE1-CG 3.71Å; F417-P419 HydrophobicContact CE2-CB 4.01Å; F417-P419 HydrophobicContact CE2-CG 4.08Å; F417-P419 HydrophobicContact CZ-CB 3.79Å; F417-P419 HydrophobicContact CZ-CG 3.56Å; F417-F425 HydrophobicContact CE2-CB 3.91Å; F417-F425 AromaticContact CE2-CD2 3.75Å; F417-F425 HydrophobicContact CE2-CD2 3.75Å; F417-F425 AromaticContact CE2-CG 3.94Å; F417-F425 HydrophobicContact CE2-CG 3.94Å; F417-F425 AromaticContact CZ-CD2 3.77Å; F417-F425 HydrophobicContact CZ-CD2 3.77Å; F417-F425 HydrophobicContact CZ-CE2 4.41Å; F417-F425 HydrophobicContact CZ-CG 4.41Å; F417-C447 HydrophobicContact CZ-CB 4.33Å
418Y92.9Very high92.8Very high46 Ų4634.4 Ų34.418%0.1817%0.166CC..  trans-133.568.8-172.1-171-128.3000111.9G350 E351 L352 V390 V393 Q420 L577G350-Y418 VanDerWaalsContact O-CE2 3.32Å; G350-Y418 WeakPolarHBondContact O-CE2 3.36Å; E351-Y418 WeakPolarHBondContact O-CD2 3.34Å; L352-Y418 HydrophobicContact CB-CD2 3.98Å; L352-Y418 HydrophobicContact CD1-CD2 4.28Å; L352-Y418 HydrophobicContact CD1-CG 4.25Å; V390-Y418 HydrophobicContact CG2-CD1 4.26Å; V393-Y418 PolarHBondContact O-N 2.82Å; Y418-Q420 VanDerWaalsContact CZ-NE2 3.31Å; Y418-L577 HydrophobicContact CD1-CD1 3.84Å; Y418-L577 HydrophobicContact CD2-CD1 4.38Å; Y418-L577 HydrophobicContact CE1-CD1 3.96Å; Y418-L577 HydrophobicContact CE2-CD1 4.49Å; Y418-L577 HydrophobicContact CG-CD1 4.07Å
419P93.4Very high93.1Very high0 Ų028.5 Ų28.50%014%0.14CC..  trans-76.5140.1-174.733.1-37.7000112.9T347 G350 V393 F417 F425 C447T347-P419 HydrophobicContact CG2-CG 4.27Å; G350-P419 PolarHBondContact N-O 3.27Å; V393-P419 HydrophobicContact CG1-CB 4.06Å; F417-P419 HydrophobicContact CD1-CG 4.31Å; F417-P419 HydrophobicContact CE1-CB 4.45Å; F417-P419 HydrophobicContact CE1-CG 3.71Å; F417-P419 HydrophobicContact CE2-CB 4.01Å; F417-P419 HydrophobicContact CE2-CG 4.08Å; F417-P419 HydrophobicContact CZ-CB 3.79Å; F417-P419 HydrophobicContact CZ-CG 3.56Å; P419-F425 HydrophobicContact CB-CD2 4.37Å; P419-F425 HydrophobicContact CB-CE2 3.8Å; P419-F425 HydrophobicContact CB-CZ 4.12Å; P419-C447 HydrophobicContact CB-CB 3.58Å; P419-C447 HydrophobicContact CG-CB 3.59Å; P419-C447 WeakPolarHBondContact CG-SG 3.26Å
420Q89Confident93.2Very high65 Ų6525.5 Ų25.530%0.30413%0.126SC..SBendtrans-103.4-10.3177.7-58.5-56.4-56.200113.6I349 Y418I349-Q420 VanDerWaalsContact CG2-O 3.3Å; I349-Q420 WeakPolarHBondContact CG2-O 3.21Å; Y418-Q420 VanDerWaalsContact CZ-NE2 3.31Å
421V92Very high93.2Very high30 Ų3022.2 Ų22.218%0.18211%0.106CC..SBendtrans-135.9151.8177.6-66.90000109.2F425 C447 H570V421-F425 HydrophobicContact CG2-CZ 3.9Å; V421-F425 WeakPolarHBondContact O-CZ 3.42Å; V421-C447 WeakPolarHBondContact O-CB 3.48Å; V421-C447 PolarHBondContact O-SG 3.41Å; V421-H570 VanDerWaalsContact CG1-NE2 3.27Å; V421-H570 WeakPolarHBondContact CG1-NE2 3.2Å; V421-H570 HydrophobicContact CG2-CB 4.2Å
422P93.6Very high93.3Very high16 Ų1620.7 Ų20.710%0.10410%0.098CC..SBendtrans-70.4155.2177.136-37.3000110I349 C447 N449 E452I349-P422 HydrophobicContact CD1-CG 4.43Å; P422-C447 WeakPolarHBondContact CA-O 3.43Å; P422-N449 HydrophobicContact CB-CB 4.35Å; P422-E452 HydrophobicContact CB-CB 3.98Å; P422-E452 HydrophobicContact CG-CB 4.03Å; P422-E452 WeakPolarHBondContact CG-OE2 3.39Å
423G93.9Very high93.2Very high7 Ų714.5 Ų14.57%0.0727%0.069CC..EExtended strand (participates in β ladder)trans135.7-173.8177.400000114.9C447G423-C447 PolarHBondContact N-O 2.81Å; G423-C447 PolarHBondContact O-N 2.83Å
424H94.8Very high92.8Very high7 Ų714.8 Ų14.83%0.0327%0.071CC..EExtended strand (participates in β ladder)trans-89.5141.6174.9-69.9151.6000110.6H455 L457 M636 Q640 P654H424-H455 PolarHBondContact NE2-O 3.22Å; H424-L457 HydrophobicContact CB-CD2 4.25Å; H424-M636 VanDerWaalsContact O-CG 3.32Å; H424-M636 WeakPolarHBondContact O-CG 2.69Å; H424-M636 VanDerWaalsContact O-SD 3.35Å; H424-Q640 PolarHBondContact CE1-OE1 3.5Å; H424-Q640 PolarHBondContact ND1-OE1 2.93Å; H424-Q640 VanDerWaalsContact ND1-OE1 3.13Å; H424-P654 HydrophobicContact CB-CG 4.03Å; H424-P654 WeakPolarHBondContact O-CG 3.48Å
425F94.8Very high91.9Very high1 Ų115.4 Ų15.40%0.0048%0.075CC..EExtended strand (participates in β ladder)trans-129.4131.1174.7-63.8-91.1000110.2V393 F394 F417 P419 V421 G445 C447 L457 F634V393-F425 HydrophobicContact CB-CD1 4.17Å; V393-F425 HydrophobicContact CB-CE1 4.48Å; V393-F425 HydrophobicContact CG1-CB 4.46Å; V393-F425 HydrophobicContact CG1-CD1 3.85Å; V393-F425 HydrophobicContact CG1-CD2 4.48Å; V393-F425 HydrophobicContact CG1-CE1 4.19Å; V393-F425 HydrophobicContact CG1-CG 4Å; V393-F425 HydrophobicContact CG2-CD1 3.93Å; V393-F425 HydrophobicContact CG2-CE1 3.8Å; F394-F425 HydrophobicContact CE2-CB 3.89Å; F394-F425 HydrophobicContact CZ-CB 3.7Å; F417-F425 HydrophobicContact CE2-CB 3.91Å; F417-F425 AromaticContact CE2-CD2 3.75Å; F417-F425 HydrophobicContact CE2-CD2 3.75Å; F417-F425 AromaticContact CE2-CG 3.94Å; F417-F425 HydrophobicContact CE2-CG 3.94Å; F417-F425 AromaticContact CZ-CD2 3.77Å; F417-F425 HydrophobicContact CZ-CD2 3.77Å; F417-F425 HydrophobicContact CZ-CE2 4.41Å; F417-F425 HydrophobicContact CZ-CG 4.41Å; P419-F425 HydrophobicContact CB-CD2 4.37Å; P419-F425 HydrophobicContact CB-CE2 3.8Å; P419-F425 HydrophobicContact CB-CZ 4.12Å; V421-F425 HydrophobicContact CG2-CZ 3.9Å; V421-F425 WeakPolarHBondContact O-CZ 3.42Å; F425-G445 PolarHBondContact N-O 2.8Å; F425-G445 PolarHBondContact O-N 2.75Å; F425-C447 HydrophobicContact CD2-CB 4.41Å; F425-C447 HydrophobicContact CE2-CB 3.79Å; F425-L457 WeakPolarHBondContact O-CD2 3.31Å; F425-F634 HydrophobicContact CB-CD1 4.44Å; F425-F634 HydrophobicContact CB-CE1 4.38Å; F425-F634 HydrophobicContact CD1-CB 4.12Å; F425-F634 AromaticContact CD1-CD1 3.73Å; F425-F634 HydrophobicContact CD1-CD1 3.73Å; F425-F634 AromaticContact CD1-CD2 3.79Å; F425-F634 HydrophobicContact CD1-CD2 3.79Å; F425-F634 HydrophobicContact CD1-CE1 4.04Å; F425-F634 HydrophobicContact CD1-CE2 4.09Å; F425-F634 AromaticContact CD1-CG 3.58Å; F425-F634 HydrophobicContact CD1-CG 3.58Å; F425-F634 HydrophobicContact CD1-CZ 4.21Å; F425-F634 HydrophobicContact CE1-CB 4.19Å; F425-F634 AromaticContact CE1-CD2 3.95Å; F425-F634 HydrophobicContact CE1-CD2 3.95Å; F425-F634 AromaticContact CE1-CG 3.97Å; F425-F634 HydrophobicContact CE1-CG 3.97Å
426Y94.4Very high91.5Very high29 Ų2916 Ų1611%0.1148%0.077CC..EExtended strand (participates in β ladder)trans-136.8129.8174.7168.4-111.4000109R428 N442 L443 F444 L462 F634 P653 P654 C656Y426-R428 PolarHBondContact OH-NE 3Å; Y426-R428 PolarHBondContact OH-NH2 2.85Å; Y426-N442 HydrophobicContact CE2-CB 3.99Å; Y426-N442 PolarHBondContact OH-OD1 2.74Å; Y426-L443 VanDerWaalsContact CA-O 3.31Å; Y426-L443 WeakPolarHBondContact CA-O 3.39Å; Y426-L443 WeakPolarHBondContact CD2-O 3.1Å; Y426-F444 AromaticContact CD2-CD1 3.68Å; Y426-F444 HydrophobicContact CD2-CD1 3.68Å; Y426-F444 AromaticContact CD2-CE1 3.37Å; Y426-F444 HydrophobicContact CD2-CE1 3.37Å; Y426-F444 HydrophobicContact CD2-CG 4.46Å; Y426-F444 AromaticContact CD2-CZ 3.92Å; Y426-F444 HydrophobicContact CD2-CZ 3.92Å; Y426-F444 HydrophobicContact CE2-CD1 4.36Å; Y426-F444 AromaticContact CE2-CE1 3.66Å; Y426-F444 HydrophobicContact CE2-CE1 3.66Å; Y426-F444 AromaticContact CE2-CZ 3.76Å; Y426-F444 HydrophobicContact CE2-CZ 3.76Å; Y426-F444 HydrophobicContact CG-CE1 4.34Å; Y426-L462 HydrophobicContact CE2-CD2 4.05Å; Y426-F634 WeakPolarHBondContact O-CE1 3.41Å; Y426-P653 HydrophobicContact CD1-CB 4.33Å; Y426-P653 HydrophobicContact CG-CB 4.18Å; Y426-P654 WeakPolarHBondContact CD1-O 3.16Å; Y426-C656 VanDerWaalsContact O-CB 3.31Å; Y426-C656 WeakPolarHBondContact O-CB 3.21Å
427R92.3Very high91.1Very high4 Ų420.3 Ų20.32%0.01510%0.098CC..EExtended strand (participates in β ladder)trans-143.9141.1172.2-172.2163.9-178.1-161.57.6110.7T392 F394 F429 L443 E630 E632 F634 L658T392-R427 PolarHBondContact OG1-NH1 2.69Å; F394-R427 HydrophobicContact CD2-CB 3.72Å; F394-R427 HydrophobicContact CE2-CB 3.85Å; R427-F429 HydrophobicContact CG-CD1 4.18Å; R427-F429 HydrophobicContact CG-CE1 4.15Å; R427-L443 PolarHBondContact N-O 2.94Å; R427-L443 VanDerWaalsContact N-O 3.09Å; R427-L443 WeakPolarHBondContact O-CB 3.38Å; R427-L443 PolarHBondContact O-N 3.5Å; R427-E630 IonicContact CZ-OE1 3.93Å; R427-E630 IonicContact NH2-OE1 3.26Å; R427-E630 PolarHBondContact NH2-OE1 2.87Å; R427-E630 IonicContact NH2-OE2 3.89Å; R427-E632 IonicContact CZ-OE1 3.75Å; R427-E632 IonicContact CZ-OE2 2.88Å; R427-E632 IonicContact NE-OE2 2.83Å; R427-E632 IonicContact NH1-OE1 3.86Å; R427-E632 PolarHBondContact NH1-OE1 3.21Å; R427-E632 IonicContact NH1-OE2 2.77Å; R427-E632 PolarHBondContact NH1-OE2 3.2Å; R427-E632 IonicContact NH2-OE1 3.61Å; R427-F634 HydrophobicContact CB-CE1 4.38Å; R427-L658 VanDerWaalsContact NH2-CD2 3.29Å
428R92.3Very high90.9Very high54 Ų5420.7 Ų20.720%0.20410%0.1CC..EExtended strand (participates in β ladder)trans-100.2121172.7-173.8173.3-72.9179.9-0.8108.9Y426 F440 L441 N442 E466 M497Y426-R428 PolarHBondContact OH-NE 3Å; Y426-R428 PolarHBondContact OH-NH2 2.85Å; R428-F440 HydrophobicContact CG-CB 3.87Å; R428-F440 HydrophobicContact CG-CD1 3.89Å; R428-F440 HydrophobicContact CG-CG 4.23Å; R428-L441 WeakPolarHBondContact CA-O 3.45Å; R428-N442 PolarHBondContact NE-OD1 2.69Å; R428-N442 PolarHBondContact NH2-OD1 3.36Å; R428-E466 IonicContact NH2-OE1 2.9Å; R428-M497 WeakPolarHBondContact O-CE 3.35Å
429F94.5Very high90.9Very high0 Ų020.7 Ų20.70%010%0.102CC..EExtended strand (participates in β ladder)trans-90.1150.1166.6-75.44.3000109.4L371 A373 F394 I396 I415 R427 F440 L441 L443L371-F429 HydrophobicContact CD1-CB 4.18Å; L371-F429 HydrophobicContact CD2-CD2 4.32Å; A373-F429 HydrophobicContact CB-CD1 4.18Å; A373-F429 HydrophobicContact CB-CD2 3.62Å; A373-F429 HydrophobicContact CB-CE1 3.99Å; A373-F429 HydrophobicContact CB-CE2 3.41Å; A373-F429 VanDerWaalsContact CB-CE2 3.41Å; A373-F429 HydrophobicContact CB-CG 4Å; A373-F429 HydrophobicContact CB-CZ 3.6Å; F394-F429 HydrophobicContact CB-CE1 4.46Å; F394-F429 HydrophobicContact CB-CZ 4.06Å; F394-F429 VanDerWaalsContact O-CZ 3.31Å; F394-F429 WeakPolarHBondContact O-CZ 3.35Å; I396-F429 HydrophobicContact CG1-CE2 4.45Å; I415-F429 HydrophobicContact CD1-CD2 4.36Å; I415-F429 HydrophobicContact CD1-CE2 4.36Å; I415-F429 HydrophobicContact CG2-CE2 4.34Å; R427-F429 HydrophobicContact CG-CD1 4.18Å; R427-F429 HydrophobicContact CG-CE1 4.15Å; F429-F440 WeakPolarHBondContact O-CA 3.31Å; F429-L441 HydrophobicContact CB-CB 4.18Å; F429-L441 PolarHBondContact N-O 3.39Å; F429-L441 PolarHBondContact O-N 3.23Å; F429-L443 HydrophobicContact CD1-CD1 3.9Å; F429-L443 HydrophobicContact CD2-CD1 3.83Å; F429-L443 HydrophobicContact CE1-CD1 3.72Å; F429-L443 HydrophobicContact CE2-CD1 3.64Å; F429-L443 HydrophobicContact CG-CD1 3.97Å; F429-L443 HydrophobicContact CZ-CD1 3.59Å
430T94.2Very high90.9Very high0 Ų022.3 Ų22.30%011%0.109CC..EExtended strand (participates in β ladder)trans-122.3119.8-178-53.10000110.5V372 L432 P438 Q439 F440 Y494V372-T430 PolarHBondContact N-O 2.77Å; V372-T430 PolarHBondContact O-N 2.92Å; V372-T430 VanDerWaalsContact O-N 3.1Å; T430-L432 HydrophobicContact CG2-CD2 3.93Å; T430-L432 HydrophobicContact CG2-CG 4.34Å; T430-P438 HydrophobicContact CG2-CB 3.78Å; T430-Q439 CarbonylContact C-O 3.51Å; T430-Q439 WeakPolarHBondContact CA-O 3.19Å; T430-F440 HydrophobicContact CG2-CD1 4.01Å; T430-F440 HydrophobicContact CG2-CE1 3.71Å; T430-Y494 HydrophobicContact CG2-CD2 3.63Å; T430-Y494 HydrophobicContact CG2-CE2 4.07Å; T430-Y494 HydrophobicContact CG2-CG 4.32Å
431L95.4Very high91.2Very high0 Ų019.2 Ų19.20%09%0.094CC..EExtended strand (participates in β ladder)trans-89113.7170.6178.566.6000109I335 L337 I359 Y369 E370 L371 V433 Q439I335-L431 HydrophobicContact CG2-CD2 4.19Å; L337-L431 HydrophobicContact CD1-CB 4.18Å; L337-L431 HydrophobicContact CD1-CD2 4.41Å; L337-L431 HydrophobicContact CD2-CD2 4.07Å; L337-L431 HydrophobicContact CG-CB 4.45Å; L337-L431 HydrophobicContact CG-CD2 3.83Å; I359-L431 HydrophobicContact CD1-CD1 3.87Å; I359-L431 HydrophobicContact CG2-CD2 4.12Å; Y369-L431 HydrophobicContact CD2-CD1 4Å; E370-L431 CarbonylContact O-C 3.53Å; L371-L431 HydrophobicContact CB-CD1 4.5Å; L371-L431 HydrophobicContact CD1-CB 4.14Å; L431-V433 HydrophobicContact CD1-CG2 4.47Å; L431-V433 HydrophobicContact CG-CG2 4.2Å; L431-Q439 HydrophobicContact CB-CB 4.3Å; L431-Q439 PolarHBondContact N-O 3.12Å; L431-Q439 PolarHBondContact O-N 3.27Å
432L94.4Very high91.3Very high3 Ų318.7 Ų18.72%0.0169%0.091CC..EExtended strand (participates in β ladder)trans-98.5132.1173.4-60.1176.5000109.9Y369 E370 V372 T430 P438 Y494 V748 V750Y369-L432 CarbonylContact C-O 3.56Å; Y369-L432 WeakPolarHBondContact CA-O 3.48Å; E370-L432 HydrophobicContact CB-CB 4.43Å; E370-L432 PolarHBondContact N-O 3.28Å; E370-L432 PolarHBondContact O-N 2.74Å; V372-L432 HydrophobicContact CG2-CD1 3.65Å; V372-L432 HydrophobicContact CG2-CG 4.11Å; T430-L432 HydrophobicContact CG2-CD2 3.93Å; T430-L432 HydrophobicContact CG2-CG 4.34Å; L432-P438 HydrophobicContact CD2-CB 3.94Å; L432-P438 HydrophobicContact CD2-CG 3.81Å; L432-Y494 HydrophobicContact CD1-CE1 4.21Å; L432-Y494 HydrophobicContact CD1-CE2 4.34Å; L432-Y494 HydrophobicContact CD2-CD1 4.16Å; L432-Y494 HydrophobicContact CD2-CD2 4.4Å; L432-Y494 HydrophobicContact CD2-CE1 4.02Å; L432-Y494 HydrophobicContact CD2-CE2 4.24Å; L432-Y494 HydrophobicContact CD2-CG 4.35Å; L432-V748 HydrophobicContact CB-CB 3.94Å; L432-V748 HydrophobicContact CB-CG1 3.99Å; L432-V748 HydrophobicContact CB-CG2 4.36Å; L432-V748 HydrophobicContact CD1-CB 4.29Å; L432-V750 HydrophobicContact CD2-CG2 4.39Å
433V90.3Very high91.4Very high2 Ų218 Ų181%0.0129%0.086CC..EExtended strand (participates in β ladder)trans-136.8132.7175.71730000107.2V333 I335 T367 L431 N435 Q436V333-V433 HydrophobicContact CG1-CG1 3.71Å; I335-V433 HydrophobicContact CB-CG1 4.48Å; I335-V433 HydrophobicContact CB-CG2 4.03Å; I335-V433 HydrophobicContact CD1-CG1 4.07Å; I335-V433 HydrophobicContact CG1-CG1 4.37Å; I335-V433 HydrophobicContact CG2-CG2 4.02Å; T367-V433 HydrophobicContact CG2-CG1 3.71Å; L431-V433 HydrophobicContact CD1-CG2 4.47Å; L431-V433 HydrophobicContact CG-CG2 4.2Å; V433-N435 PolarHBondContact O-N 3.43Å; V433-Q436 HydrophobicContact CB-CB 3.96Å; V433-Q436 HydrophobicContact CG1-CB 4.02Å; V433-Q436 PolarHBondContact O-N 3.09Å; V433-Q436 VanDerWaalsContact O-N 3.07Å; V433-Q436 VanDerWaalsContact O-O 3.14Å
434C83.1Confident91.4Very high7 Ų717.7 Ų17.75%0.0478%0.083CC..THydrogen-bonded Turntrans-56.3132.6179.7-73.70000111.5Q436 S700C434-Q436 PolarHBondContact O-N 3.3Å; C434-S700 WeakPolarHBondContact SG-CB 3.34Å; C434-S700 PolarHBondContact SG-N 3.08Å
435N74.5Confident91.4Very high52 Ų5217.4 Ų17.428%0.2788%0.081SC..THydrogen-bonded Turntrans60.721.7-177.6-47.3-37.1000114.8P303 V333 V433 K681 S698P303-N435 HydrophobicContact CG-CB 3.72Å; P303-N435 WeakPolarHBondContact CG-O 3.3Å; V333-N435 HydrophobicContact CG2-CB 4.23Å; V433-N435 PolarHBondContact O-N 3.43Å; N435-K681 WeakPolarHBondContact OD1-CE 3.48Å; N435-K681 PolarHBondContact OD1-NZ 2.97Å; N435-S698 PolarHBondContact N-OG 2.93Å
436Q84.5Confident91.5Very high12 Ų1217.3 Ų17.36%0.0568%0.081CC..EExtended strand (participates in β ladder)trans-128.6139.4173.9-163.4-170.2-78.400109.3V333 I335 V433 C434 Y491V333-Q436 VanDerWaalsContact C-OE1 3.3Å; V333-Q436 HydrophobicContact CB-CB 4.09Å; V333-Q436 HydrophobicContact CB-CG 4.32Å; V333-Q436 HydrophobicContact CG1-CB 4.03Å; V333-Q436 HydrophobicContact CG1-CG 4.41Å; V333-Q436 PolarHBondContact O-OE1 3.41Å; I335-Q436 PolarHBondContact O-NE2 3Å; V433-Q436 HydrophobicContact CB-CB 3.96Å; V433-Q436 HydrophobicContact CG1-CB 4.02Å; V433-Q436 PolarHBondContact O-N 3.09Å; V433-Q436 VanDerWaalsContact O-N 3.07Å; V433-Q436 VanDerWaalsContact O-O 3.14Å; C434-Q436 PolarHBondContact O-N 3.3Å; Q436-Y491 VanDerWaalsContact C-OH 3.32Å; Q436-Y491 PolarHBondContact O-OH 2.8Å
437E83.9Confident91.6Very high92 Ų9216 Ų1643%0.438%0.075SC..EExtended strand (participates in β ladder)trans-55.2136.7172.1-168.3178.3167.400110.8G490 Y491E437-G490 WeakPolarHBondContact OE1-CA 3.38Å; E437-G490 PolarHBondContact OE1-N 2.83Å; E437-Y491 HydrophobicContact CB-CE2 4.34Å; E437-Y491 HydrophobicContact CG-CD2 4.35Å
438P91.2Very high91.7Very high7 Ų716.9 Ų16.95%0.0458%0.08CC..EExtended strand (participates in β ladder)trans-56137.7179.2-27.435.3000112.6T430 L432 F440 Y491 Y494T430-P438 HydrophobicContact CG2-CB 3.78Å; L432-P438 HydrophobicContact CD2-CB 3.94Å; L432-P438 HydrophobicContact CD2-CG 3.81Å; P438-F440 HydrophobicContact CB-CE1 4.45Å; P438-F440 HydrophobicContact CB-CZ 4.11Å; P438-Y491 HydrophobicContact CG-CD1 3.72Å; P438-Y491 HydrophobicContact CG-CE1 3.95Å; P438-Y491 HydrophobicContact CG-CG 4.26Å; P438-Y494 HydrophobicContact CG-CG 4.41Å
439Q92.4Very high91.6Very high47 Ų4716.4 Ų16.422%0.228%0.081CC..EExtended strand (participates in β ladder)trans-106.2151.6172.5-71.2-179.629.900111.2I335 L337 T430 L431I335-Q439 PolarHBondContact O-NE2 2.84Å; L337-Q439 HydrophobicContact CD1-CB 4.2Å; T430-Q439 CarbonylContact C-O 3.51Å; T430-Q439 WeakPolarHBondContact CA-O 3.19Å; L431-Q439 HydrophobicContact CB-CB 4.3Å; L431-Q439 PolarHBondContact N-O 3.12Å; L431-Q439 PolarHBondContact O-N 3.27Å
440F93Very high91.3Very high33 Ų3324.1 Ų24.115%0.14512%0.122CC..EExtended strand (participates in β ladder)trans-121.4135.7-172.6-56.5-71.8000112.3R428 F429 T430 P438 G490 I493R428-F440 HydrophobicContact CG-CB 3.87Å; R428-F440 HydrophobicContact CG-CD1 3.89Å; R428-F440 HydrophobicContact CG-CG 4.23Å; F429-F440 WeakPolarHBondContact O-CA 3.31Å; T430-F440 HydrophobicContact CG2-CD1 4.01Å; T430-F440 HydrophobicContact CG2-CE1 3.71Å; P438-F440 HydrophobicContact CB-CE1 4.45Å; P438-F440 HydrophobicContact CB-CZ 4.11Å; F440-G490 WeakPolarHBondContact CZ-O 3.31Å; F440-I493 HydrophobicContact CE1-CG2 4Å; F440-I493 HydrophobicContact CE2-CB 3.99Å; F440-I493 HydrophobicContact CE2-CD1 4.08Å; F440-I493 HydrophobicContact CE2-CG2 3.85Å; F440-I493 HydrophobicContact CZ-CB 3.7Å; F440-I493 HydrophobicContact CZ-CG2 3.51Å
441L95.2Very high91Very high1 Ų130.8 Ų30.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-115.1112.8173.5178.467.1000109.7L337 T339 V357 I415 R428 F429 L443L337-L441 HydrophobicContact CD1-CB 4.01Å; T339-L441 HydrophobicContact CG2-CD1 4.02Å; T339-L441 WeakPolarHBondContact O-CD1 3.3Å; V357-L441 HydrophobicContact CG1-CD1 4.49Å; V357-L441 HydrophobicContact CG1-CD2 4.17Å; V357-L441 HydrophobicContact CG2-CD2 4.15Å; I415-L441 HydrophobicContact CD1-CD2 3.46Å; I415-L441 VanDerWaalsContact CD1-CD2 3.46Å; R428-L441 WeakPolarHBondContact CA-O 3.45Å; F429-L441 HydrophobicContact CB-CB 4.18Å; F429-L441 PolarHBondContact N-O 3.39Å; F429-L441 PolarHBondContact O-N 3.23Å; L441-L443 HydrophobicContact CD2-CD2 3.82Å; L441-L443 HydrophobicContact CG-CD2 3.77Å
442N94.2Very high90.8Very high19 Ų1933.1 Ų33.110%0.10217%0.167CC..EExtended strand (participates in β ladder)trans-90.2111.5-177.5-66.3-70.5000111.3N340 Y341 C342 Y426 R428 F444 L462N340-N442 PolarHBondContact O-N 3.39Å; N340-N442 PolarHBondContact O-ND2 3.31Å; Y341-N442 CarbonylContact C-O 3.57Å; Y341-N442 WeakPolarHBondContact CA-O 3.39Å; Y341-N442 VanDerWaalsContact CB-O 3.32Å; Y341-N442 WeakPolarHBondContact CB-O 3.16Å; C342-N442 PolarHBondContact N-O 3.38Å; Y426-N442 HydrophobicContact CE2-CB 3.99Å; Y426-N442 PolarHBondContact OH-OD1 2.74Å; R428-N442 PolarHBondContact NE-OD1 2.69Å; R428-N442 PolarHBondContact NH2-OD1 3.36Å; N442-F444 HydrophobicContact CB-CE2 3.62Å; N442-F444 HydrophobicContact CB-CZ 3.92Å; N442-F444 WeakPolarHBondContact O-CD2 3.44Å; N442-F444 WeakPolarHBondContact O-CE2 3.47Å; N442-L462 HydrophobicContact CB-CD2 4.5Å
443L95.2Very high90.6Very high0 Ų038.5 Ų38.50%019%0.187CC..EExtended strand (participates in β ladder)trans-98.6128-177.9-53-179.9000110.5C342 F344 F394 I415 Y426 R427 F429 L441C342-L443 HydrophobicContact CB-CD2 3.51Å; F344-L443 HydrophobicContact CE2-CB 4.47Å; F394-L443 HydrophobicContact CB-CD1 3.6Å; F394-L443 HydrophobicContact CD1-CB 3.9Å; F394-L443 HydrophobicContact CD1-CD1 4.06Å; F394-L443 HydrophobicContact CD2-CB 4.31Å; F394-L443 HydrophobicContact CD2-CD1 4.33Å; F394-L443 HydrophobicContact CE1-CB 3.89Å; F394-L443 HydrophobicContact CE2-CB 4.3Å; F394-L443 HydrophobicContact CG-CB 4.11Å; F394-L443 HydrophobicContact CG-CD1 3.76Å; F394-L443 HydrophobicContact CZ-CB 4.08Å; I415-L443 HydrophobicContact CD1-CD2 4.35Å; I415-L443 HydrophobicContact CG2-CD1 4.04Å; I415-L443 HydrophobicContact CG2-CD2 4.41Å; Y426-L443 VanDerWaalsContact CA-O 3.31Å; Y426-L443 WeakPolarHBondContact CA-O 3.39Å; Y426-L443 WeakPolarHBondContact CD2-O 3.1Å; R427-L443 PolarHBondContact N-O 2.94Å; R427-L443 VanDerWaalsContact N-O 3.09Å; R427-L443 WeakPolarHBondContact O-CB 3.38Å; R427-L443 PolarHBondContact O-N 3.5Å; F429-L443 HydrophobicContact CD1-CD1 3.9Å; F429-L443 HydrophobicContact CD2-CD1 3.83Å; F429-L443 HydrophobicContact CE1-CD1 3.72Å; F429-L443 HydrophobicContact CE2-CD1 3.64Å; F429-L443 HydrophobicContact CG-CD1 3.97Å; F429-L443 HydrophobicContact CZ-CD1 3.59Å; L441-L443 HydrophobicContact CD2-CD2 3.82Å; L441-L443 HydrophobicContact CG-CD2 3.77Å
444F95.3Very high90.8Very high2 Ų238.5 Ų38.51%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-124.3119.2-178-58.8-84.8000111.2C342 T343 F344 Y426 N442 L457 P459 L462C342-F444 WeakPolarHBondContact O-CD2 3.48Å; C342-F444 PolarHBondContact O-N 2.91Å; T343-F444 WeakPolarHBondContact CA-O 3.37Å; T343-F444 HydrophobicContact CG2-CB 4.38Å; F344-F444 WeakPolarHBondContact CD2-O 3.47Å; F344-F444 PolarHBondContact N-O 2.84Å; Y426-F444 AromaticContact CD2-CD1 3.68Å; Y426-F444 HydrophobicContact CD2-CD1 3.68Å; Y426-F444 AromaticContact CD2-CE1 3.37Å; Y426-F444 HydrophobicContact CD2-CE1 3.37Å; Y426-F444 HydrophobicContact CD2-CG 4.46Å; Y426-F444 AromaticContact CD2-CZ 3.92Å; Y426-F444 HydrophobicContact CD2-CZ 3.92Å; Y426-F444 HydrophobicContact CE2-CD1 4.36Å; Y426-F444 AromaticContact CE2-CE1 3.66Å; Y426-F444 HydrophobicContact CE2-CE1 3.66Å; Y426-F444 AromaticContact CE2-CZ 3.76Å; Y426-F444 HydrophobicContact CE2-CZ 3.76Å; Y426-F444 HydrophobicContact CG-CE1 4.34Å; N442-F444 HydrophobicContact CB-CE2 3.62Å; N442-F444 HydrophobicContact CB-CZ 3.92Å; N442-F444 WeakPolarHBondContact O-CD2 3.44Å; N442-F444 WeakPolarHBondContact O-CE2 3.47Å; F444-L457 HydrophobicContact CB-CD2 4.32Å; F444-L457 HydrophobicContact CB-CG 4.38Å; F444-L457 HydrophobicContact CD1-CD2 3.83Å; F444-L457 HydrophobicContact CD1-CG 3.91Å; F444-P459 HydrophobicContact CD2-CG 4.07Å; F444-P459 HydrophobicContact CE2-CB 4.07Å; F444-P459 HydrophobicContact CE2-CG 4.01Å; F444-P459 HydrophobicContact CZ-CB 4.46Å; F444-L462 HydrophobicContact CE1-CB 4.04Å; F444-L462 HydrophobicContact CE1-CD2 4.48Å; F444-L462 HydrophobicContact CZ-CB 3.89Å; F444-L462 HydrophobicContact CZ-CD2 3.86Å
445G94.8Very high91.3Very high0 Ų040.8 Ų40.80%020%0.197CC..EExtended strand (participates in β ladder)trans-127.2153.3178.400000112.4F425F425-G445 PolarHBondContact N-O 2.8Å; F425-G445 PolarHBondContact O-N 2.75Å
446T96.4Very high92.1Very high0 Ų040.7 Ų40.70%019%0.194CC..EExtended strand (participates in β ladder)trans-138.7123.2175.6-56.90000109.1I346 T347 P454 L457I346-T446 WeakPolarHBondContact CA-O 3.46Å; I346-T446 HydrophobicContact CG1-CG2 4.47Å; T347-T446 PolarHBondContact N-O 3.12Å; T446-P454 HydrophobicContact CG2-CB 4.38Å; T446-P454 HydrophobicContact CG2-CG 3.77Å; T446-L457 WeakPolarHBondContact OG1-CB 3.32Å; T446-L457 PolarHBondContact OG1-N 2.85Å
447C95.8Very high92.5Very high0 Ų040.1 Ų40.10%019%0.192CC..EExtended strand (participates in β ladder)trans-111.4135-177.5-174.90000111.7T347 F417 P419 V421 P422 G423 F425T347-C447 CarbonylContact O-C 3.59Å; T347-C447 WeakPolarHBondContact O-CA 3.14Å; F417-C447 HydrophobicContact CZ-CB 4.33Å; P419-C447 HydrophobicContact CB-CB 3.58Å; P419-C447 HydrophobicContact CG-CB 3.59Å; P419-C447 WeakPolarHBondContact CG-SG 3.26Å; V421-C447 WeakPolarHBondContact O-CB 3.48Å; V421-C447 PolarHBondContact O-SG 3.41Å; P422-C447 WeakPolarHBondContact CA-O 3.43Å; G423-C447 PolarHBondContact N-O 2.81Å; G423-C447 PolarHBondContact O-N 2.83Å; F425-C447 HydrophobicContact CD2-CB 4.41Å; F425-C447 HydrophobicContact CE2-CB 3.79Å
448H95.1Very high92.8Very high24 Ų2440.2 Ų40.211%0.11119%0.191CC..EExtended strand (participates in β ladder)trans-116.1149.1179-77.6-164.4000112.2I346 T347 H348 I349 R453 P454I346-H448 HydrophobicContact CG2-CB 4.16Å; I346-H448 VanDerWaalsContact CG2-CG 3.43Å; I346-H448 WeakPolarHBondContact CG2-ND1 3.28Å; T347-H448 PolarHBondContact O-N 3.41Å; H348-H448 WeakPolarHBondContact CA-O 3.44Å; H348-H448 PolarHBondContact ND1-O 3.35Å; I349-H448 PolarHBondContact N-O 2.82Å; H448-R453 HydrophobicContact CB-CG 4.47Å; H448-P454 PolarHBondContact NE2-O 2.79Å
449N91.2Very high92.6Very high44 Ų4441.6 Ų41.624%0.23520%0.2CC..  trans-127.6-161.7160.472.610.8000111.3I349 P422 I451 E452 R453I349-N449 HydrophobicContact CD1-CB 3.59Å; I349-N449 HydrophobicContact CG1-CB 4.18Å; P422-N449 HydrophobicContact CB-CB 4.35Å; N449-I451 PolarHBondContact O-N 2.84Å; N449-I451 PolarHBondContact OD1-N 3.18Å; N449-E452 PolarHBondContact N-O 2.77Å; N449-E452 VanDerWaalsContact N-O 3.14Å; N449-E452 PolarHBondContact OD1-N 3.4Å; N449-R453 PolarHBondContact O-NE 2.87Å
450L86.8Confident92.4Very high162 Ų16244.3 Ų44.385%0.84821%0.211SC*.SBendtrans-68.6-22179.9-67.4175.1000113.5
451I87.8Confident92.1Very high140 Ų14042.9 Ų42.972%0.71821%0.205SC*.SBendtrans-116.3-44.1-169.2-56.8173.7000111.8N449N449-I451 PolarHBondContact O-N 2.84Å; N449-I451 PolarHBondContact OD1-N 3.18Å
452E91.2Very high91.6Very high49 Ų4943.9 Ų43.923%0.22921%0.21CC..  trans-106.5112.4-174.5-65.1-172.8153.900109.5P422 N449 R641P422-E452 HydrophobicContact CB-CB 3.98Å; P422-E452 HydrophobicContact CG-CB 4.03Å; P422-E452 WeakPolarHBondContact CG-OE2 3.39Å; N449-E452 PolarHBondContact N-O 2.77Å; N449-E452 VanDerWaalsContact N-O 3.14Å; N449-E452 PolarHBondContact OD1-N 3.4Å; E452-R641 CarbonylContact C-O 3.57Å; E452-R641 WeakPolarHBondContact CA-O 3.46Å; E452-R641 WeakPolarHBondContact CB-O 3.29Å; E452-R641 WeakPolarHBondContact OE1-CD 3.45Å; E452-R641 IonicContact OE1-NH1 3.61Å
453R91.6Very high90.7Very high116 Ų11648.6 Ų48.644%0.43823%0.233SC..  trans-127.971.5-176.3-66.7-174.4173.3-168.8-2.9110.9H448 N449 R641 D642 D643H448-R453 HydrophobicContact CB-CG 4.47Å; N449-R453 PolarHBondContact O-NE 2.87Å; R453-R641 PolarHBondContact N-O 3.43Å; R453-D642 PolarHBondContact N-OD1 2.51Å; R453-D643 PolarHBondContact O-N 3.34Å
454P93.5Very high89.5Confident1 Ų152.6 Ų52.61%0.00625%0.254CS..PPolyproline II helixtrans-58.8148.4177.528.3-39000111.7T446 H448 Q640 R641T446-P454 HydrophobicContact CG2-CB 4.38Å; T446-P454 HydrophobicContact CG2-CG 3.77Å; H448-P454 PolarHBondContact NE2-O 2.79Å; P454-Q640 WeakPolarHBondContact CB-O 3.26Å; P454-R641 WeakPolarHBondContact CD-O 3.39Å
455H92.8Very high88.2Confident55 Ų5554.6 Ų54.626%0.25527%0.265SS..PPolyproline II helixtrans-56.8156.2171.6-82.6-49.5000112.4H424 L457 I646 S648 I651H424-H455 PolarHBondContact NE2-O 3.22Å; H455-L457 PolarHBondContact O-N 2.94Å; H455-I646 PolarHBondContact CD2-O 2.84Å; H455-I646 PolarHBondContact NE2-O 2.83Å; H455-I646 VanDerWaalsContact NE2-O 3.15Å; H455-S648 PolarHBondContact NE2-N 2.82Å; H455-I651 HydrophobicContact CB-CD1 3.23Å; H455-I651 HydrophobicContact CB-CG1 4.4Å
456H93.1Very high86.9Confident50 Ų5059 Ų5923%0.23129%0.285CS..PPolyproline II helixtrans-68.6120-178.6-170.8-140.7000112.7F344 I346 K458 H461F344-H456 PolarHBondContact O-NE2 3.16Å; I346-H456 HydrophobicContact CD1-CB 4.11Å; I346-H456 HydrophobicContact CG1-CB 4.2Å; H456-K458 WeakPolarHBondContact ND1-CE 3.44Å; H456-K458 PolarHBondContact O-N 2.66Å; H456-H461 PolarHBondContact O-CE1 3.31Å; H456-H461 VanDerWaalsContact O-CE1 3.29Å
457L92.4Very high85.1Confident0 Ų062.7 Ų62.70%031%0.305CS..PPolyproline II helixtrans-73123.1175.1-174.168.9000110.6H424 F425 F444 T446 H455 H461 I651 P653H424-L457 HydrophobicContact CB-CD2 4.25Å; F425-L457 WeakPolarHBondContact O-CD2 3.31Å; F444-L457 HydrophobicContact CB-CD2 4.32Å; F444-L457 HydrophobicContact CB-CG 4.38Å; F444-L457 HydrophobicContact CD1-CD2 3.83Å; F444-L457 HydrophobicContact CD1-CG 3.91Å; T446-L457 WeakPolarHBondContact OG1-CB 3.32Å; T446-L457 PolarHBondContact OG1-N 2.85Å; H455-L457 PolarHBondContact O-N 2.94Å; L457-H461 HydrophobicContact CD1-CB 4.12Å; L457-I651 HydrophobicContact CD1-CG2 3.93Å; L457-P653 HydrophobicContact CD1-CB 4.38Å; L457-P653 HydrophobicContact CD1-CG 4.32Å
458K89.5Confident83.2Confident94 Ų9469.5 Ų69.541%0.40933%0.331SS..  trans-127159.5-177.4-66.5-177.7-178.8-176.20111.1H456 K460 H461H456-K458 WeakPolarHBondContact ND1-CE 3.44Å; H456-K458 PolarHBondContact O-N 2.66Å; K458-K460 HydrophobicContact CB-CG 4.08Å; K458-K460 PolarHBondContact O-N 2.84Å; K458-K460 VanDerWaalsContact O-N 3.12Å; K458-H461 PolarHBondContact N-ND1 2.73Å; K458-H461 VanDerWaalsContact N-ND1 3.18Å; K458-H461 WeakPolarHBondContact O-CB 3.25Å; K458-H461 PolarHBondContact O-N 2.78Å
459P88Confident81.4Confident36 Ų3672.6 Ų72.623%0.23435%0.349CS..THydrogen-bonded Turntrans-55.6-32.3-179.5-2734.6000114.4Y341 T343 F444 H461 L462 M463Y341-P459 HydrophobicContact CD1-CG 4.41Å; Y341-P459 HydrophobicContact CD2-CB 4.29Å; Y341-P459 HydrophobicContact CD2-CG 3.38Å; Y341-P459 HydrophobicContact CE2-CG 3.65Å; Y341-P459 HydrophobicContact CG-CB 4.28Å; Y341-P459 HydrophobicContact CG-CG 3.82Å; T343-P459 WeakPolarHBondContact OG1-CD 3.17Å; T343-P459 WeakPolarHBondContact OG1-CG 3.32Å; F444-P459 HydrophobicContact CD2-CG 4.07Å; F444-P459 HydrophobicContact CE2-CB 4.07Å; F444-P459 HydrophobicContact CE2-CG 4.01Å; F444-P459 HydrophobicContact CZ-CB 4.46Å; P459-H461 PolarHBondContact O-N 2.72Å; P459-H461 VanDerWaalsContact O-N 3.08Å; P459-L462 PolarHBondContact O-N 2.95Å; P459-M463 PolarHBondContact O-N 3.35Å
460K87.1Confident79.7Confident104 Ų10475.6 Ų75.645%0.45236%0.361SS..Hα-helixtrans-54.5-28.5175.367.6174.7-171.8168.30113.4K458 N464K458-K460 HydrophobicContact CB-CG 4.08Å; K458-K460 PolarHBondContact O-N 2.84Å; K458-K460 VanDerWaalsContact O-N 3.12Å; K460-N464 WeakPolarHBondContact O-CB 3.4Å; K460-N464 PolarHBondContact O-N 2.74Å; K460-N464 PolarHBondContact O-OD1 3.5Å
461H88.1Confident78Confident3 Ų374.8 Ų74.81%0.01435%0.351CS..Hα-helixtrans-72.5-29.7179.2-55.3149.6000112.3H456 L457 K458 P459 S648 P653H456-H461 PolarHBondContact O-CE1 3.31Å; H456-H461 VanDerWaalsContact O-CE1 3.29Å; L457-H461 HydrophobicContact CD1-CB 4.12Å; K458-H461 PolarHBondContact N-ND1 2.73Å; K458-H461 VanDerWaalsContact N-ND1 3.18Å; K458-H461 WeakPolarHBondContact O-CB 3.25Å; K458-H461 PolarHBondContact O-N 2.78Å; P459-H461 PolarHBondContact O-N 2.72Å; P459-H461 VanDerWaalsContact O-N 3.08Å; H461-S648 PolarHBondContact NE2-O 2.8Å; H461-P653 HydrophobicContact CB-CG 4.28Å
462L83.4Confident76.1Confident22 Ų2271.1 Ų71.112%0.11533%0.332CS..Hα-helixtrans-74.8-46.5171.9-177.166.5000110.8Y426 N442 F444 P459 N464 I465 E466 P653Y426-L462 HydrophobicContact CE2-CD2 4.05Å; N442-L462 HydrophobicContact CB-CD2 4.5Å; F444-L462 HydrophobicContact CE1-CB 4.04Å; F444-L462 HydrophobicContact CE1-CD2 4.48Å; F444-L462 HydrophobicContact CZ-CB 3.89Å; F444-L462 HydrophobicContact CZ-CD2 3.86Å; P459-L462 PolarHBondContact O-N 2.95Å; L462-N464 VanDerWaalsContact C-N 3.27Å; L462-N464 PolarHBondContact O-N 2.82Å; L462-I465 WeakPolarHBondContact O-CA 3.39Å; L462-I465 WeakPolarHBondContact O-CB 3.5Å; L462-I465 PolarHBondContact O-N 2.92Å; L462-E466 PolarHBondContact O-N 2.83Å; L462-P653 HydrophobicContact CB-CG 4.18Å; L462-P653 HydrophobicContact CD1-CG 4.34Å
463M75.9Confident74Confident118 Ų11870.2 Ų70.258%0.58134%0.336SS*.Hα-helixtrans-59.4-36.8-179.5-165.7179.1-174.600112.6P459 I465 E466 L467P459-M463 PolarHBondContact O-N 3.35Å; M463-I465 VanDerWaalsContact C-N 3.26Å; M463-I465 PolarHBondContact O-N 3.13Å; M463-E466 PolarHBondContact O-N 3.02Å; M463-L467 HydrophobicContact CG-CD1 4.19Å; M463-L467 WeakPolarHBondContact O-CB 3.32Å; M463-L467 WeakPolarHBondContact O-CG 3.42Å; M463-L467 PolarHBondContact O-N 3.01Å
464N70.8Confident71.6Confident84 Ų8470.1 Ų70.145%0.44934%0.344SS..Hα-helixtrans-61.6-33174.4-75.5-4.9000112.9K460 L462 Y468K460-N464 WeakPolarHBondContact O-CB 3.4Å; K460-N464 PolarHBondContact O-N 2.74Å; K460-N464 PolarHBondContact O-OD1 3.5Å; L462-N464 VanDerWaalsContact C-N 3.27Å; L462-N464 PolarHBondContact O-N 2.82Å; N464-Y468 VanDerWaalsContact O-CB 3.28Å; N464-Y468 WeakPolarHBondContact O-CB 3.41Å; N464-Y468 PolarHBondContact O-N 2.88Å
465I67.7Low69.2Low45 Ų4576.9 Ų76.923%0.23138%0.376CS..Hα-helixtrans-77-43.4176.8-65.5-179.6000110.5L462 M463 L467 Y468 N469 K652 P653L462-I465 WeakPolarHBondContact O-CA 3.39Å; L462-I465 WeakPolarHBondContact O-CB 3.5Å; L462-I465 PolarHBondContact O-N 2.92Å; M463-I465 VanDerWaalsContact C-N 3.26Å; M463-I465 PolarHBondContact O-N 3.13Å; I465-L467 VanDerWaalsContact C-N 3.31Å; I465-L467 PolarHBondContact O-N 2.8Å; I465-Y468 PolarHBondContact O-N 2.76Å; I465-Y468 VanDerWaalsContact O-N 3.14Å; I465-N469 WeakPolarHBondContact O-CB 3.43Å; I465-N469 VanDerWaalsContact O-CG 3.31Å; I465-N469 PolarHBondContact O-N 2.97Å; I465-K652 HydrophobicContact CD1-CB 4.07Å; I465-K652 HydrophobicContact CD1-CG 4.2Å; I465-P653 HydrophobicContact CD1-CG 4.36Å
466E66.6Low66.8Low91 Ų9180.4 Ų80.443%0.42540%0.395SS..Hα-helixtrans-60.4-42.8177.4-69171.817000110.8R428 L462 M463 N469 Q470R428-E466 IonicContact NH2-OE1 2.9Å; L462-E466 PolarHBondContact O-N 2.83Å; M463-E466 PolarHBondContact O-N 3.02Å; E466-N469 PolarHBondContact O-N 2.71Å; E466-Q470 WeakPolarHBondContact O-CB 3.1Å; E466-Q470 PolarHBondContact O-N 2.76Å
467L57.8Low64Low79 Ų7983 Ų8341%0.41441%0.411SS..Hα-helixtrans-64.6-39.1172.3-78.5163.7000113.1M463 I465 K471M463-L467 HydrophobicContact CG-CD1 4.19Å; M463-L467 WeakPolarHBondContact O-CB 3.32Å; M463-L467 WeakPolarHBondContact O-CG 3.42Å; M463-L467 PolarHBondContact O-N 3.01Å; I465-L467 VanDerWaalsContact C-N 3.31Å; I465-L467 PolarHBondContact O-N 2.8Å; L467-K471 WeakPolarHBondContact O-CG 3.43Å; L467-K471 PolarHBondContact O-N 3.19Å
468Y57.2Low61.3Low142 Ų14288.9 Ų88.956%0.55745%0.447SS*.Hα-helixtrans-68.2-42.6176.9-177.2-91.4000111.6N464 I465 Q470 K471 L472N464-Y468 VanDerWaalsContact O-CB 3.28Å; N464-Y468 WeakPolarHBondContact O-CB 3.41Å; N464-Y468 PolarHBondContact O-N 2.88Å; I465-Y468 PolarHBondContact O-N 2.76Å; I465-Y468 VanDerWaalsContact O-N 3.14Å; Y468-Q470 VanDerWaalsContact C-N 3.35Å; Y468-K471 PolarHBondContact O-N 2.85Å; Y468-L472 HydrophobicContact CE1-CB 4.38Å; Y468-L472 HydrophobicContact CE1-CD1 4.26Å; Y468-L472 HydrophobicContact CE1-CD2 4.21Å; Y468-L472 WeakPolarHBondContact O-CB 3.31Å; Y468-L472 PolarHBondContact O-N 3.2Å
469N58Low58.6Low90 Ų9093.1 Ų93.148%0.48147%0.466SS..Hα-helixtrans-65.8-38.2176.4-71.5-11.7000111.1I465 E466 G473I465-N469 WeakPolarHBondContact O-CB 3.43Å; I465-N469 VanDerWaalsContact O-CG 3.31Å; I465-N469 PolarHBondContact O-N 2.97Å; E466-N469 PolarHBondContact O-N 2.71Å; N469-G473 PolarHBondContact O-N 3.16Å
470Q55Low55.8Low107 Ų10797.5 Ų97.550%0.548%0.483SS..Hα-helixtrans-60.9-44.3169.4-86.9-177.1-2000111.9E466 Y468 G473 N474E466-Q470 WeakPolarHBondContact O-CB 3.1Å; E466-Q470 PolarHBondContact O-N 2.76Å; Y468-Q470 VanDerWaalsContact C-N 3.35Å; Q470-G473 PolarHBondContact O-N 3.37Å; Q470-N474 PolarHBondContact O-N 3.11Å; Q470-N474 PolarHBondContact O-OD1 3.14Å
471K51.4Low53Low144 Ų144101.7 Ų101.763%0.62650%0.504SS*.Hα-helixtrans-66.1-41.8176.8-78.7-177.7178.2-176.70113.4L467 Y468 N474 E475L467-K471 WeakPolarHBondContact O-CG 3.43Å; L467-K471 PolarHBondContact O-N 3.19Å; Y468-K471 PolarHBondContact O-N 2.85Å; K471-N474 WeakPolarHBondContact O-CB 3.37Å; K471-N474 PolarHBondContact O-N 2.98Å; K471-E475 PolarHBondContact O-N 3.49Å
472L47.8Very low50.3Low64 Ų64108 Ų10834%0.33553%0.529SS..Hα-helixtrans-69.3-37.2178.4-158.678.2000110.8Y468 N474 E475 I476Y468-L472 HydrophobicContact CE1-CB 4.38Å; Y468-L472 HydrophobicContact CE1-CD1 4.26Å; Y468-L472 HydrophobicContact CE1-CD2 4.21Å; Y468-L472 WeakPolarHBondContact O-CB 3.31Å; Y468-L472 PolarHBondContact O-N 3.2Å; L472-N474 VanDerWaalsContact C-N 3.29Å; L472-N474 PolarHBondContact O-N 3.04Å; L472-E475 PolarHBondContact O-N 3.34Å; L472-I476 HydrophobicContact CG-CD1 4.3Å; L472-I476 WeakPolarHBondContact O-CG1 3.49Å; L472-I476 PolarHBondContact O-N 2.99Å
473G47.3Very low47.8Very low29 Ų29112.2 Ų112.230%0.29955%0.551SS.*Hα-helixtrans-58.9-40.2168.700000112N469 Q470 N477N469-G473 PolarHBondContact O-N 3.16Å; Q470-G473 PolarHBondContact O-N 3.37Å; G473-N477 VanDerWaalsContact O-CB 3.29Å; G473-N477 WeakPolarHBondContact O-CB 3.47Å; G473-N477 PolarHBondContact O-N 3.48Å
474N41.2Very low45.9Very low115 Ų115113.7 Ų113.762%0.61556%0.562SS**Hα-helixtrans-68.6-32.7175.2-69.8-10000113.4Q470 K471 L472 N477 T478Q470-N474 PolarHBondContact O-N 3.11Å; Q470-N474 PolarHBondContact O-OD1 3.14Å; K471-N474 WeakPolarHBondContact O-CB 3.37Å; K471-N474 PolarHBondContact O-N 2.98Å; L472-N474 VanDerWaalsContact C-N 3.29Å; L472-N474 PolarHBondContact O-N 3.04Å; N474-N477 CarbonylContact O-C 3.56Å; N474-N477 VanDerWaalsContact O-C 3.28Å; N474-T478 PolarHBondContact O-N 3.33Å
475E42.4Very low44.4Very low142 Ų142115.5 Ų115.566%0.66457%0.571SS**Hα-helixtrans-74.3-40175.1-77.8-174.5173.100112.1K471 L472 N477 T478K471-E475 PolarHBondContact O-N 3.49Å; L472-E475 PolarHBondContact O-N 3.34Å; E475-N477 VanDerWaalsContact C-N 3.25Å; E475-N477 PolarHBondContact O-N 2.66Å; E475-T478 PolarHBondContact O-N 2.98Å; E475-T478 PolarHBondContact O-OG1 3.31Å
476I42.2Very low43.2Very low130 Ų130117.9 Ų117.967%0.66758%0.584SS**Hα-helixtrans-69.9-27.8175.8-64168.5000110.8L472L472-I476 HydrophobicContact CG-CD1 4.3Å; L472-I476 WeakPolarHBondContact O-CG1 3.49Å; L472-I476 PolarHBondContact O-N 2.99Å
477N35.3Very low42.4Very low105 Ų105121.4 Ų121.456%0.56160%0.6SS**THydrogen-bonded Turntrans-104.947.7173.5-63.7-19.2000112.2G473 N474 E475 F479G473-N477 VanDerWaalsContact O-CB 3.29Å; G473-N477 WeakPolarHBondContact O-CB 3.47Å; G473-N477 PolarHBondContact O-N 3.48Å; N474-N477 CarbonylContact O-C 3.56Å; N474-N477 VanDerWaalsContact O-C 3.28Å; E475-N477 VanDerWaalsContact C-N 3.25Å; E475-N477 PolarHBondContact O-N 2.66Å; N477-F479 CarbonylContact O-C 3.58Å; N477-F479 VanDerWaalsContact O-C 3.25Å; N477-F479 PolarHBondContact O-N 3.09Å; N477-F479 VanDerWaalsContact O-O 3.13Å
478T35.2Very low42.4Very low122 Ų122122 Ų12275%0.74860%0.601SS**  trans-60.3-7.7171.7-7.30000113.1N474 E475N474-T478 PolarHBondContact O-N 3.33Å; E475-T478 PolarHBondContact O-N 2.98Å; E475-T478 PolarHBondContact O-OG1 3.31Å
479F31.5Very low43.1Very low184 Ų184118.1 Ų118.181%0.80759%0.59SS**SBendtrans-93.9112.8158.9-64-83.9000108.8N477N477-F479 CarbonylContact O-C 3.58Å; N477-F479 VanDerWaalsContact O-C 3.25Å; N477-F479 PolarHBondContact O-N 3.09Å; N477-F479 VanDerWaalsContact O-O 3.13Å
480Q31Very low44.3Very low128 Ų128113.9 Ų113.960%0.59857%0.568SS**  trans10586.3170.6-55.1168.55.900115.3Y482 Y897Q480-Y482 PolarHBondContact O-N 2.8Å; Q480-Y482 VanDerWaalsContact O-N 3.12Å; Q480-Y897 HydrophobicContact CG-CD2 4.35Å; Q480-Y897 HydrophobicContact CG-CE2 4.32Å
481Q27Very low45.8Very low192 Ų192110 Ų11090%0.89755%0.549SS*.  trans-63.591.7166-71.8173.2-40.700111.6
482Y30.8Very low47.4Very low136 Ų136106.2 Ų106.253%0.53353%0.533SS..  trans-140.3152.6173.6-86.9-82.9000116.3Q480 N895 Y897Q480-Y482 PolarHBondContact O-N 2.8Å; Q480-Y482 VanDerWaalsContact O-N 3.12Å; Y482-N895 HydrophobicContact CD1-CB 4.48Å; Y482-Y897 AromaticContact CD2-CE2 3.73Å; Y482-Y897 HydrophobicContact CD2-CE2 3.73Å; Y482-Y897 AromaticContact CE2-CE2 3.83Å; Y482-Y897 HydrophobicContact CE2-CE2 3.83Å; Y482-Y897 AromaticContact CE2-CZ 3.65Å; Y482-Y897 WeakPolarHBondContact CE2-OH 3.41Å; Y482-Y897 PolarHBondContact OH-OH 2.83Å
483D32.5Very low48.9Very low110 Ų110104.9 Ų104.959%0.58853%0.526SS*.  trans-43.8154.8-166.9-66.6-61.4000119.4D485D483-D485 PolarHBondContact O-N 3.21Å
484N36Very low50.9Low149 Ų149103.6 Ų103.680%0.79751%0.512SS*.THydrogen-bonded Turntrans-57.66.1179.3-76.3-33.4000116.5
485D38.4Very low52.9Low122 Ų12298.1 Ų98.165%0.65248%0.483SS*.THydrogen-bonded Turntrans-10413.5-169.4-76.9-19.7000114.4D483 H487D483-D485 PolarHBondContact O-N 3.21Å; D485-H487 PolarHBondContact O-N 3.03Å
486N41.8Very low54.6Low95 Ų9596.2 Ų96.251%0.50847%0.474SS..  trans-71.563.3163.5-78.7-15.6000110.2Q488N486-Q488 PolarHBondContact O-N 2.96Å
487H51.6Low56.3Low164 Ų16493 Ų9376%0.75946%0.457SS*.  trans-68.3107.2159.7-86.672.7000107D485 N489D485-H487 PolarHBondContact O-N 3.03Å; H487-N489 PolarHBondContact O-N 3.43Å
488Q56.9Low58.4Low92 Ų9289.4 Ų89.443%0.4344%0.437SS..  trans-58.6131.4169-165.3177.31.500108.4N486 G490 E492 I493 E496N486-Q488 PolarHBondContact O-N 2.96Å; Q488-G490 PolarHBondContact O-N 3.35Å; Q488-E492 HydrophobicContact CG-CB 4.45Å; Q488-E492 HydrophobicContact CG-CG 4.46Å; Q488-I493 HydrophobicContact CB-CD1 4.33Å; Q488-I493 HydrophobicContact CB-CG1 4.31Å; Q488-I493 HydrophobicContact CG-CG1 4.06Å; Q488-E496 PolarHBondContact NE2-OE1 2.97Å; Q488-E496 PolarHBondContact NE2-OE2 3.05Å
489N73Confident59.9Low60 Ų6087 Ų8732%0.32142%0.417SS..  trans-63.2131.6-176.7-177.9-25.1000109.7H487 Y491 E492 I493H487-N489 PolarHBondContact O-N 3.43Å; N489-Y491 PolarHBondContact O-N 3.17Å; N489-Y491 VanDerWaalsContact O-N 3.16Å; N489-Y491 WeakPolarHBondContact OD1-CB 3.41Å; N489-Y491 WeakPolarHBondContact OD1-CD2 3.23Å; N489-Y491 PolarHBondContact OD1-N 3.15Å; N489-E492 HydrophobicContact CB-CB 4.32Å; N489-E492 WeakPolarHBondContact O-CA 3.45Å; N489-E492 WeakPolarHBondContact O-CB 3.47Å; N489-E492 PolarHBondContact O-N 2.92Å; N489-I493 PolarHBondContact O-N 2.69Å
490G82.4Confident61.1Low2 Ų280.7 Ų80.72%0.02140%0.396CS..Hα-helixtrans-58.5-26.9179.300000113.5E437 F440 Q488 E492 Y494E437-G490 WeakPolarHBondContact OE1-CA 3.38Å; E437-G490 PolarHBondContact OE1-N 2.83Å; F440-G490 WeakPolarHBondContact CZ-O 3.31Å; Q488-G490 PolarHBondContact O-N 3.35Å; G490-E492 VanDerWaalsContact C-N 3.35Å; G490-Y494 VanDerWaalsContact O-CB 3.26Å; G490-Y494 WeakPolarHBondContact O-CB 3.36Å; G490-Y494 PolarHBondContact O-N 2.82Å
491Y87Confident62.1Low24 Ų2475.8 Ų75.89%0.09438%0.376CS..Hα-helixtrans-66.9-37169.5-74-67.9000112.7Q436 E437 P438 N489 S495 Y696 V750Q436-Y491 VanDerWaalsContact C-OH 3.32Å; Q436-Y491 PolarHBondContact O-OH 2.8Å; E437-Y491 HydrophobicContact CB-CE2 4.34Å; E437-Y491 HydrophobicContact CG-CD2 4.35Å; P438-Y491 HydrophobicContact CG-CD1 3.72Å; P438-Y491 HydrophobicContact CG-CE1 3.95Å; P438-Y491 HydrophobicContact CG-CG 4.26Å; N489-Y491 PolarHBondContact O-N 3.17Å; N489-Y491 VanDerWaalsContact O-N 3.16Å; N489-Y491 WeakPolarHBondContact OD1-CB 3.41Å; N489-Y491 WeakPolarHBondContact OD1-CD2 3.23Å; N489-Y491 PolarHBondContact OD1-N 3.15Å; Y491-S495 WeakPolarHBondContact O-CB 3.36Å; Y491-S495 PolarHBondContact O-N 2.72Å; Y491-Y696 VanDerWaalsContact CB-CG 3.48Å; Y491-Y696 HydrophobicContact CD1-CD1 4.37Å; Y491-Y696 HydrophobicContact CD1-CG 4.22Å; Y491-Y696 HydrophobicContact CD2-CD2 4.31Å; Y491-Y696 HydrophobicContact CD2-CG 4.2Å; Y491-Y696 HydrophobicContact CG-CD1 4.17Å; Y491-Y696 HydrophobicContact CG-CD2 4.08Å; Y491-Y696 AromaticContact CG-CG 3.74Å; Y491-Y696 HydrophobicContact CG-CG 3.74Å; Y491-V750 HydrophobicContact CD1-CG1 3.67Å; Y491-V750 HydrophobicContact CD1-CG2 4.27Å; Y491-V750 HydrophobicContact CE1-CG1 3.92Å; Y491-V750 HydrophobicContact CE1-CG2 4.04Å
492E83.3Confident63.4Low65 Ų6572.6 Ų72.630%0.30436%0.361SS..Hα-helixtrans-68-47176.5-168.2168.4-147.600110.1Q488 N489 G490 Y494 S495 E496Q488-E492 HydrophobicContact CG-CB 4.45Å; Q488-E492 HydrophobicContact CG-CG 4.46Å; N489-E492 HydrophobicContact CB-CB 4.32Å; N489-E492 WeakPolarHBondContact O-CA 3.45Å; N489-E492 WeakPolarHBondContact O-CB 3.47Å; N489-E492 PolarHBondContact O-N 2.92Å; G490-E492 VanDerWaalsContact C-N 3.35Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 2.95Å; E492-S495 WeakPolarHBondContact O-CB 3.19Å; E492-S495 PolarHBondContact O-N 2.79Å; E492-S495 VanDerWaalsContact O-N 3.15Å; E492-E496 WeakPolarHBondContact O-CB 3.43Å; E492-E496 WeakPolarHBondContact O-CG 3.41Å; E492-E496 PolarHBondContact O-N 3.01Å
493I81Confident64.2Low36 Ų3674.2 Ų74.219%0.18538%0.377CS..Hα-helixtrans-57.6-45.4174.4-60.5172.6000111.1F440 Q488 N489 M497F440-I493 HydrophobicContact CE1-CG2 4Å; F440-I493 HydrophobicContact CE2-CB 3.99Å; F440-I493 HydrophobicContact CE2-CD1 4.08Å; F440-I493 HydrophobicContact CE2-CG2 3.85Å; F440-I493 HydrophobicContact CZ-CB 3.7Å; F440-I493 HydrophobicContact CZ-CG2 3.51Å; Q488-I493 HydrophobicContact CB-CD1 4.33Å; Q488-I493 HydrophobicContact CB-CG1 4.31Å; Q488-I493 HydrophobicContact CG-CG1 4.06Å; N489-I493 PolarHBondContact O-N 2.69Å; I493-M497 WeakPolarHBondContact O-CB 3.44Å; I493-M497 PolarHBondContact O-N 2.92Å
494Y87.9Confident65.1Low2 Ų273.9 Ų73.91%0.00837%0.374CS..Hα-helixtrans-65.9-40.9177.6176.8-114.4000112T430 L432 P438 G490 E492 M497 M498 I735 V750T430-Y494 HydrophobicContact CG2-CD2 3.63Å; T430-Y494 HydrophobicContact CG2-CE2 4.07Å; T430-Y494 HydrophobicContact CG2-CG 4.32Å; L432-Y494 HydrophobicContact CD1-CE1 4.21Å; L432-Y494 HydrophobicContact CD1-CE2 4.34Å; L432-Y494 HydrophobicContact CD2-CD1 4.16Å; L432-Y494 HydrophobicContact CD2-CD2 4.4Å; L432-Y494 HydrophobicContact CD2-CE1 4.02Å; L432-Y494 HydrophobicContact CD2-CE2 4.24Å; L432-Y494 HydrophobicContact CD2-CG 4.35Å; P438-Y494 HydrophobicContact CG-CG 4.41Å; G490-Y494 VanDerWaalsContact O-CB 3.26Å; G490-Y494 WeakPolarHBondContact O-CB 3.36Å; G490-Y494 PolarHBondContact O-N 2.82Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 2.95Å; Y494-M497 PolarHBondContact O-N 3.42Å; Y494-M498 HydrophobicContact CD2-CE 4.31Å; Y494-M498 HydrophobicContact CD2-CG 4.2Å; Y494-M498 HydrophobicContact CE1-CG 4.44Å; Y494-M498 HydrophobicContact CE2-CE 3.44Å; Y494-M498 VanDerWaalsContact CE2-CE 3.44Å; Y494-M498 HydrophobicContact CE2-CG 3.78Å; Y494-M498 HydrophobicContact CE2-SD 4.47Å; Y494-M498 WeakPolarHBondContact O-CG 3.17Å; Y494-M498 PolarHBondContact O-N 2.83Å; Y494-M498 VanDerWaalsContact O-N 3.14Å; Y494-I735 HydrophobicContact CD1-CG2 4.07Å; Y494-I735 HydrophobicContact CE1-CB 4.29Å; Y494-I735 HydrophobicContact CE1-CG2 3.56Å; Y494-V750 HydrophobicContact CD1-CG2 4.25Å; Y494-V750 HydrophobicContact CE1-CB 4.4Å; Y494-V750 HydrophobicContact CE1-CG2 3.99Å
495S82.9Confident65.9Low0 Ų075.6 Ų75.60%038%0.379CS..Hα-helixtrans-62-47.3176.3-177.50000111.4Y491 E492 M497 M498 Q499 I735 R752Y491-S495 WeakPolarHBondContact O-CB 3.36Å; Y491-S495 PolarHBondContact O-N 2.72Å; E492-S495 WeakPolarHBondContact O-CB 3.19Å; E492-S495 PolarHBondContact O-N 2.79Å; E492-S495 VanDerWaalsContact O-N 3.15Å; S495-M497 VanDerWaalsContact C-N 3.31Å; S495-M497 PolarHBondContact O-N 3.14Å; S495-M498 PolarHBondContact O-N 3.33Å; S495-Q499 WeakPolarHBondContact O-CB 3.45Å; S495-Q499 VanDerWaalsContact O-CG 3.28Å; S495-Q499 WeakPolarHBondContact O-CG 3.42Å; S495-Q499 PolarHBondContact O-N 2.91Å; S495-I735 VanDerWaalsContact OG-CD1 3.26Å; S495-I735 WeakPolarHBondContact OG-CD1 3.32Å; S495-R752 PolarHBondContact OG-NH1 3.31Å
496E78.4Confident66.6Low102 Ų10276.5 Ų76.548%0.47738%0.384SS..Hα-helixtrans-61.3-40177.3-73.6175.6179.500111.7Q488 E492 M498Q488-E496 PolarHBondContact NE2-OE1 2.97Å; Q488-E496 PolarHBondContact NE2-OE2 3.05Å; E492-E496 WeakPolarHBondContact O-CB 3.43Å; E492-E496 WeakPolarHBondContact O-CG 3.41Å; E492-E496 PolarHBondContact O-N 3.01Å; E496-M498 VanDerWaalsContact C-N 3.27Å; E496-M498 PolarHBondContact O-N 3.02Å
497M79.3Confident67.6Low62 Ų6274 Ų7431%0.30537%0.373SS..Hα-helixtrans-65.3-29.2177.3-177.3176.1155.900113R428 I493 Y494 S495 L658R428-M497 WeakPolarHBondContact O-CE 3.35Å; I493-M497 WeakPolarHBondContact O-CB 3.44Å; I493-M497 PolarHBondContact O-N 2.92Å; Y494-M497 PolarHBondContact O-N 3.42Å; S495-M497 VanDerWaalsContact C-N 3.31Å; S495-M497 PolarHBondContact O-N 3.14Å; M497-L658 HydrophobicContact CE-CD1 3.89Å
498M78.1Confident68.6Low31 Ų3168.8 Ų68.815%0.15335%0.354CS..Hα-helixtrans-96.7-17.9-178.1-68.8-6217500113.9V372 Y494 S495 E496 I735V372-M498 HydrophobicContact CG1-CE 3.72Å; Y494-M498 HydrophobicContact CD2-CE 4.31Å; Y494-M498 HydrophobicContact CD2-CG 4.2Å; Y494-M498 HydrophobicContact CE1-CG 4.44Å; Y494-M498 HydrophobicContact CE2-CE 3.44Å; Y494-M498 VanDerWaalsContact CE2-CE 3.44Å; Y494-M498 HydrophobicContact CE2-CG 3.78Å; Y494-M498 HydrophobicContact CE2-SD 4.47Å; Y494-M498 WeakPolarHBondContact O-CG 3.17Å; Y494-M498 PolarHBondContact O-N 2.83Å; Y494-M498 VanDerWaalsContact O-N 3.14Å; S495-M498 PolarHBondContact O-N 3.33Å; E496-M498 VanDerWaalsContact C-N 3.27Å; E496-M498 PolarHBondContact O-N 3.02Å; M498-I735 HydrophobicContact CB-CG2 3.61Å; M498-I735 HydrophobicContact CG-CG2 3.89Å
499Q67.8Low69.8Low70 Ų7068.5 Ų68.533%0.32736%0.355SS..SBendtrans-72.9146.9179.6-84.8178.5-13.400112.3S495S495-Q499 WeakPolarHBondContact O-CB 3.45Å; S495-Q499 VanDerWaalsContact O-CG 3.28Å; S495-Q499 WeakPolarHBondContact O-CG 3.42Å; S495-Q499 PolarHBondContact O-N 2.91Å
500S56.4Low70.4Confident52 Ų5266.1 Ų66.136%0.36434%0.342SS..  trans-78132.1169.9510000110.5E502S500-E502 PolarHBondContact O-N 3.32Å
501S52.5Low70.5Confident25 Ų2566.3 Ų66.318%0.17534%0.343CS..  trans-8162.6172.8-49.40000110.8P508 L512S501-P508 VanDerWaalsContact OG-CG 3.32Å; S501-P508 WeakPolarHBondContact OG-CG 2.89Å; S501-L512 CarbonylContact C-O 3.59Å; S501-L512 VanDerWaalsContact O-O 3.05Å
502E52.6Low70.5Confident125 Ų12565.6 Ų65.658%0.58434%0.34SS*.  trans-53.3144.1163.9-72.5-171.4169.600108.7S500 M504S500-E502 PolarHBondContact O-N 3.32Å; E502-M504 VanDerWaalsContact C-N 3.34Å; E502-M504 WeakPolarHBondContact O-CG 2.9Å; E502-M504 PolarHBondContact O-N 3.07Å
503I47.8Very low70.6Confident170 Ų17064.2 Ų64.287%0.87234%0.335SS*.SBendtrans-3993-172.3-57.7166.7000111.1
504M51.4Low70.8Confident104 Ų10466 Ų6651%0.51234%0.343SS..  trans-85.7153-179.1-53.9-177.571.900107.8E502 N506 P507E502-M504 VanDerWaalsContact C-N 3.34Å; E502-M504 WeakPolarHBondContact O-CG 2.9Å; E502-M504 PolarHBondContact O-N 3.07Å; M504-N506 PolarHBondContact O-N 2.87Å; M504-P507 WeakPolarHBondContact O-CD 3.37Å
505M52.4Low70.7Confident185 Ų18566.9 Ų66.991%0.91135%0.348SS*.SBendtrans-56.8-32.6166.8-80.4-75.1-70.400111.6
506N53.9Low71Confident140 Ų14069.3 Ų69.375%0.74936%0.361SS*.SBendtrans-130.682176.5-69.3-24.9000109.6M504M504-N506 PolarHBondContact O-N 2.87Å
507P62.9Low71.6Confident43 Ų4365.8 Ų65.828%0.27934%0.343SS..  trans-70.5155.5-179.629.7-33.2000111.3M504M504-P507 WeakPolarHBondContact O-CD 3.37Å
508P72.1Confident72.1Confident55 Ų5564 Ų6436%0.35734%0.335SS..  trans-58.3162168.322.9-30.4000111.5S501 L510S501-P508 VanDerWaalsContact OG-CG 3.32Å; S501-P508 WeakPolarHBondContact OG-CG 2.89Å; P508-L510 VanDerWaalsContact CG-O 3.32Å; P508-L510 WeakPolarHBondContact CG-O 3.29Å; P508-L510 CarbonylContact O-C 3.55Å; P508-L510 PolarHBondContact O-N 2.91Å
509L82.3Confident72.8Confident86 Ų8662.6 Ų62.645%0.4533%0.328SS..SBendtrans-55-29.5-178.1-73.5174.3000113.4C562 T563 Y655L509-C562 WeakPolarHBondContact O-CA 3.37Å; L509-C562 WeakPolarHBondContact O-CB 3.16Å; L509-C562 PolarHBondContact O-N 3.4Å; L509-T563 HydrophobicContact CB-CG2 3.94Å; L509-T563 HydrophobicContact CD2-CG2 4.33Å; L509-Y655 HydrophobicContact CB-CE1 4.12Å; L509-Y655 HydrophobicContact CD1-CE1 4.49Å; L509-Y655 WeakPolarHBondContact CD1-OH 3.26Å
510L85.4Confident73.8Confident10 Ų1059.4 Ų59.45%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-127.6137.1156.9-85.6110.8000109.7P508 I559 Q560 L567 L606 A635 Y655 L657P508-L510 VanDerWaalsContact CG-O 3.32Å; P508-L510 WeakPolarHBondContact CG-O 3.29Å; P508-L510 CarbonylContact O-C 3.55Å; P508-L510 PolarHBondContact O-N 2.91Å; L510-I559 HydrophobicContact CD2-CG2 3.91Å; L510-Q560 WeakPolarHBondContact CA-O 3.23Å; L510-L567 HydrophobicContact CD1-CD1 3.5Å; L510-L567 VanDerWaalsContact CD1-CD1 3.5Å; L510-L567 HydrophobicContact CD2-CD1 4.17Å; L510-L567 HydrophobicContact CG-CD1 4.13Å; L510-L606 HydrophobicContact CD2-CD1 3.86Å; L510-A635 HydrophobicContact CD1-CB 4.29Å; L510-A635 HydrophobicContact CD2-CB 3.87Å; L510-Y655 HydrophobicContact CD1-CD1 4.03Å; L510-Y655 HydrophobicContact CD1-CD2 3.12Å; L510-Y655 HydrophobicContact CD1-CE1 4.45Å; L510-Y655 HydrophobicContact CD1-CE2 3.62Å; L510-Y655 HydrophobicContact CD1-CG 3.36Å; L510-L657 HydrophobicContact CB-CD2 4.19Å; L510-L657 HydrophobicContact CD2-CD1 4.05Å
511S84.7Confident75.1Confident6 Ų660.3 Ų60.34%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-128.4149.5176.252.40000111.7I559 Q560S511-I559 WeakPolarHBondContact O-CA 3.39Å; S511-Q560 PolarHBondContact N-O 2.84Å; S511-Q560 VanDerWaalsContact N-O 3.14Å; S511-Q560 PolarHBondContact O-N 2.88Å; S511-Q560 WeakPolarHBondContact OG-CB 3.26Å
512L86.9Confident76.7Confident8 Ų863 Ų634%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-110.8143.4171-68176.9000109.2S501 T515 L557 I559 L657 V659S501-L512 CarbonylContact C-O 3.59Å; S501-L512 VanDerWaalsContact O-O 3.05Å; L512-T515 HydrophobicContact CD1-CG2 4.11Å; L512-L557 HydrophobicContact CD2-CD1 4.06Å; L512-L557 HydrophobicContact CD2-CG 4.4Å; L512-I559 HydrophobicContact CD2-CB 4.29Å; L512-I559 HydrophobicContact CD2-CD1 4.13Å; L512-I559 HydrophobicContact CD2-CG1 3.66Å; L512-I559 HydrophobicContact CD2-CG2 4.24Å; L512-L657 HydrophobicContact CD1-CB 4.07Å; L512-L657 HydrophobicContact CD2-CD1 3.8Å; L512-L657 HydrophobicContact CG-CB 4.48Å; L512-L657 HydrophobicContact CG-CD1 4.17Å; L512-L657 HydrophobicContact CG-CD2 4.43Å; L512-V659 HydrophobicContact CD1-CG2 3.71Å
513N86.4Confident78.1Confident37 Ų3763.9 Ų63.920%0.19833%0.334CS..SBendtrans-61.3-43.4171.864.2-31.3000112.3T556 I558N513-T556 PolarHBondContact ND2-O 3.06Å; N513-I558 HydrophobicContact CB-CB 4.23Å; N513-I558 PolarHBondContact N-O 2.59Å; N513-I558 VanDerWaalsContact N-O 3.09Å; N513-I558 PolarHBondContact OD1-N 3.4Å; N513-I558 PolarHBondContact OD1-O 3.06Å
514H85.1Confident79.9Confident73 Ų7360 Ų6034%0.33832%0.315SS..  trans-143.8134.4175.2-59.6-68.4000111.2W517H514-W517 HydrophobicContact CB-CD2 4.5Å; H514-W517 HydrophobicContact CB-CZ2 3.85Å; H514-W517 AromaticContact CD2-CH2 3.92Å; H514-W517 AromaticContact CD2-CZ2 3.88Å; H514-W517 PolarHBondContact O-NE1 3.26Å; H514-W517 VanDerWaalsContact O-NE1 3.08Å
515T85.8Confident81.7Confident21 Ų2156.3 Ų56.313%0.12930%0.298CS..SBendtrans-91.7-21.7174.650.80000112.5L512 V659 N660L512-T515 HydrophobicContact CD1-CG2 4.11Å; T515-V659 CarbonylContact O-C 3.47Å; T515-V659 WeakPolarHBondContact O-CA 3.24Å; T515-N660 PolarHBondContact O-N 2.71Å
516I89.9Confident83.4Confident51 Ų5148.4 Ų48.426%0.26226%0.259SS..EExtended strand (participates in β ladder)trans-123.1127.9-178.2-64.1173000108.7N660 Y662 I738I516-N660 CarbonylContact C-O 3.43Å; I516-N660 WeakPolarHBondContact CA-O 3.45Å; I516-N660 HydrophobicContact CG1-CB 4.48Å; I516-Y662 HydrophobicContact CG2-CD2 4.24Å; I516-Y662 HydrophobicContact CG2-CE2 4.22Å; I516-I738 HydrophobicContact CD1-CG2 4.22Å; I516-I738 HydrophobicContact CG2-CG2 3.37Å
517W90.4Very high84.9Confident27 Ų2743.4 Ų43.410%0.10224%0.235CC..EExtended strand (participates in β ladder)trans-125.3122.3-179.7-69.180.5000110.5H514 F519 N555 T556 L557 I616 N660 C661 Y662H514-W517 HydrophobicContact CB-CD2 4.5Å; H514-W517 HydrophobicContact CB-CZ2 3.85Å; H514-W517 AromaticContact CD2-CH2 3.92Å; H514-W517 AromaticContact CD2-CZ2 3.88Å; H514-W517 PolarHBondContact O-NE1 3.26Å; H514-W517 VanDerWaalsContact O-NE1 3.08Å; W517-F519 HydrophobicContact CB-CD2 4.22Å; W517-F519 HydrophobicContact CB-CE2 3.77Å; W517-N555 HydrophobicContact CE3-CB 3.63Å; W517-N555 HydrophobicContact CH2-CB 4.16Å; W517-N555 HydrophobicContact CZ3-CB 3.41Å; W517-N555 VanDerWaalsContact CZ3-CB 3.41Å; W517-N555 VanDerWaalsContact CZ3-CG 3.46Å; W517-T556 WeakPolarHBondContact CH2-O 3.3Å; W517-L557 HydrophobicContact CZ2-CD1 4.29Å; W517-I616 HydrophobicContact CD2-CD1 4.06Å; W517-I616 HydrophobicContact CG-CD1 4.03Å; W517-I616 HydrophobicContact CZ2-CD1 4.48Å; W517-N660 PolarHBondContact N-O 3.12Å; W517-C661 CarbonylContact O-C 3.56Å; W517-C661 WeakPolarHBondContact O-CA 3.44Å; W517-Y662 PolarHBondContact O-N 2.73Å
518D89.6Confident86.1Confident26 Ų2645.7 Ų45.714%0.13924%0.24CC..EExtended strand (participates in β ladder)trans-113.198.7176.6-179.85000110.2T520 S521 K785D518-T520 PolarHBondContact O-N 3.45Å; D518-T520 VanDerWaalsContact OD1-C 3.29Å; D518-T520 PolarHBondContact OD1-N 2.83Å; D518-T520 VanDerWaalsContact OD1-N 3.09Å; D518-S521 WeakPolarHBondContact O-CB 3.41Å; D518-S521 PolarHBondContact O-N 3.26Å; D518-S521 PolarHBondContact O-OG 2.65Å; D518-S521 PolarHBondContact OD1-N 2.92Å; D518-S521 VanDerWaalsContact OD2-CA 3.31Å; D518-S521 WeakPolarHBondContact OD2-CA 3.34Å; D518-S521 WeakPolarHBondContact OD2-CB 3.42Å; D518-K785 IonicContact OD1-NZ 3.95Å; D518-K785 PolarHBondContact OD1-NZ 3.29Å; D518-K785 VanDerWaalsContact OD2-CE 3.3Å; D518-K785 WeakPolarHBondContact OD2-CE 3.1Å; D518-K785 IonicContact OD2-NZ 3.82Å; D518-K785 PolarHBondContact OD2-NZ 3.22Å
519F92.7Very high86.9Confident0 Ų043 Ų430%022%0.223CC..THydrogen-bonded Turntrans-73.3-0.3-177.6-76.2-98.6000113.4W517 L525 I553 N555 F597 I616 F618 C661 Y662W517-F519 HydrophobicContact CB-CD2 4.22Å; W517-F519 HydrophobicContact CB-CE2 3.77Å; F519-L525 WeakPolarHBondContact O-CB 2.91Å; F519-I553 HydrophobicContact CD1-CB 4.02Å; F519-I553 HydrophobicContact CD1-CG2 3.84Å; F519-I553 HydrophobicContact CE1-CG2 4.36Å; F519-I553 WeakPolarHBondContact CE1-O 3.35Å; F519-N555 HydrophobicContact CE1-CB 3.94Å; F519-N555 VanDerWaalsContact CE1-ND2 3.27Å; F519-N555 WeakPolarHBondContact CE1-ND2 3.17Å; F519-N555 HydrophobicContact CZ-CB 3.91Å; F519-F597 HydrophobicContact CB-CE1 4.41Å; F519-F597 HydrophobicContact CD2-CD1 4.25Å; F519-F597 AromaticContact CD2-CE1 3.48Å; F519-F597 HydrophobicContact CD2-CE1 3.48Å; F519-F597 VanDerWaalsContact CD2-CE1 3.48Å; F519-F597 HydrophobicContact CD2-CZ 4.35Å; F519-F597 HydrophobicContact CE2-CD1 4.14Å; F519-F597 AromaticContact CE2-CE1 3.82Å; F519-F597 HydrophobicContact CE2-CE1 3.82Å; F519-F597 AromaticContact CG-CE1 3.98Å; F519-F597 HydrophobicContact CG-CE1 3.98Å; F519-I616 HydrophobicContact CE2-CG2 3.98Å; F519-I616 HydrophobicContact CZ-CB 3.93Å; F519-I616 HydrophobicContact CZ-CG2 3.56Å; F519-F618 HydrophobicContact CB-CB 4.18Å; F519-F618 HydrophobicContact CB-CD1 3.47Å; F519-F618 VanDerWaalsContact CB-CD1 3.47Å; F519-F618 HydrophobicContact CB-CE1 4.01Å; F519-F618 HydrophobicContact CB-CG 3.96Å; F519-F618 HydrophobicContact CD1-CB 3.4Å; F519-F618 VanDerWaalsContact CD1-CB 3.4Å; F519-F618 HydrophobicContact CD1-CD1 4.16Å; F519-F618 HydrophobicContact CD1-CG 4.14Å; F519-F618 HydrophobicContact CD2-CB 4.34Å; F519-F618 HydrophobicContact CE1-CB 3.75Å; F519-F618 HydrophobicContact CG-CB 3.72Å; F519-F618 HydrophobicContact CG-CD1 4.01Å; F519-F618 HydrophobicContact CG-CG 4.04Å; F519-F618 HydrophobicContact CZ-CB 4.34Å; F519-C661 HydrophobicContact CE2-CB 4.22Å; F519-Y662 PolarHBondContact N-O 3Å
520T88.7Confident87.3Confident4 Ų440 Ų403%0.02521%0.207CC..THydrogen-bonded Turntrans-137.639173.968.50000110.7D518 N522 L526 A529 F618 G663 H664 K785D518-T520 PolarHBondContact O-N 3.45Å; D518-T520 VanDerWaalsContact OD1-C 3.29Å; D518-T520 PolarHBondContact OD1-N 2.83Å; D518-T520 VanDerWaalsContact OD1-N 3.09Å; T520-N522 VanDerWaalsContact C-N 3.35Å; T520-L526 HydrophobicContact CG2-CD1 4.31Å; T520-A529 HydrophobicContact CG2-CB 3.86Å; T520-F618 HydrophobicContact CG2-CE1 4.1Å; T520-G663 WeakPolarHBondContact OG1-CA 3.26Å; T520-H664 WeakPolarHBondContact CG2-O 3.4Å; T520-H664 PolarHBondContact OG1-CD2 3.26Å; T520-H664 PolarHBondContact OG1-N 2.83Å; T520-H664 PolarHBondContact OG1-NE2 3.12Å; T520-K785 PolarHBondContact O-NZ 3.2Å
521S83.6Confident87.4Confident71 Ų7143.9 Ų43.950%0.49723%0.227SC..SBendtrans-69.7-28.2179.846.60000113.7D518 L525D518-S521 WeakPolarHBondContact O-CB 3.41Å; D518-S521 PolarHBondContact O-N 3.26Å; D518-S521 PolarHBondContact O-OG 2.65Å; D518-S521 PolarHBondContact OD1-N 2.92Å; D518-S521 VanDerWaalsContact OD2-CA 3.31Å; D518-S521 WeakPolarHBondContact OD2-CA 3.34Å; D518-S521 WeakPolarHBondContact OD2-CB 3.42Å; S521-L525 WeakPolarHBondContact OG-CD1 3.27Å
522N85.6Confident87.5Confident81 Ų8144.2 Ų44.243%0.43323%0.23SC..SBendtrans-133.6171.6179.568.742.5000112.1T520 D524 L525 L526T520-N522 VanDerWaalsContact C-N 3.35Å; N522-D524 VanDerWaalsContact C-N 3.34Å; N522-D524 PolarHBondContact O-N 3.06Å; N522-D524 PolarHBondContact OD1-N 3.12Å; N522-D524 VanDerWaalsContact OD1-N 3.12Å; N522-L525 PolarHBondContact O-N 3.37Å; N522-L525 WeakPolarHBondContact OD1-CB 3.26Å; N522-L525 WeakPolarHBondContact OD1-CG 3.25Å; N522-L525 PolarHBondContact OD1-N 2.79Å; N522-L526 WeakPolarHBondContact O-CB 3.15Å; N522-L526 PolarHBondContact O-N 2.85Å
523F81.9Confident87.5Confident144 Ų14443.9 Ų43.963%0.63223%0.228SC*.Hα-helixtrans-62.6-36.7-176.3-176.1-93.2000113.5S527F523-S527 WeakPolarHBondContact CE1-OG 3.47Å; F523-S527 VanDerWaalsContact O-CB 3.3Å; F523-S527 WeakPolarHBondContact O-CB 3.26Å; F523-S527 PolarHBondContact O-N 3.39Å; F523-S527 PolarHBondContact O-OG 2.67Å
524D86.6Confident87.4Confident88 Ų8846.3 Ų46.347%0.47124%0.238SC..Hα-helixtrans-66.7-47.4179.2178.862.4000111.1N522 S527 K528N522-D524 VanDerWaalsContact C-N 3.34Å; N522-D524 PolarHBondContact O-N 3.06Å; N522-D524 PolarHBondContact OD1-N 3.12Å; N522-D524 VanDerWaalsContact OD1-N 3.12Å; D524-S527 WeakPolarHBondContact O-CB 3.26Å; D524-S527 PolarHBondContact O-N 2.88Å; D524-K528 WeakPolarHBondContact O-CG 3.34Å; D524-K528 PolarHBondContact O-N 2.85Å; D524-K528 IonicContact OD1-NZ 3.68Å; D524-K528 VanDerWaalsContact OD2-CE 3.3Å; D524-K528 WeakPolarHBondContact OD2-CE 3.45Å; D524-K528 IonicContact OD2-NZ 2.77Å; D524-K528 PolarHBondContact OD2-NZ 2.79Å
525L87.9Confident87.3Confident27 Ų2747.2 Ų47.214%0.14124%0.243CC..Hα-helixtrans-64.9-41.6177-71.4176.7000112.2F519 S521 N522 S527 K528 A529 I553F519-L525 WeakPolarHBondContact O-CB 2.91Å; S521-L525 WeakPolarHBondContact OG-CD1 3.27Å; N522-L525 PolarHBondContact O-N 3.37Å; N522-L525 WeakPolarHBondContact OD1-CB 3.26Å; N522-L525 WeakPolarHBondContact OD1-CG 3.25Å; N522-L525 PolarHBondContact OD1-N 2.79Å; L525-S527 VanDerWaalsContact C-N 3.34Å; L525-S527 PolarHBondContact O-N 2.83Å; L525-K528 PolarHBondContact O-N 2.89Å; L525-A529 WeakPolarHBondContact O-CB 3.5Å; L525-A529 PolarHBondContact O-N 2.86Å; L525-I553 HydrophobicContact CD2-CG2 4.14Å; L525-I553 WeakPolarHBondContact O-CD1 3.44Å
526L88Confident87.1Confident18 Ų1846.8 Ų46.89%0.09424%0.239CC..Hα-helixtrans-61.2-43.6172.7178.460.6000111.5T520 N522 K528 A529 L530 H664T520-L526 HydrophobicContact CG2-CD1 4.31Å; N522-L526 WeakPolarHBondContact O-CB 3.15Å; N522-L526 PolarHBondContact O-N 2.85Å; L526-K528 VanDerWaalsContact C-N 3.34Å; L526-K528 PolarHBondContact O-N 3.46Å; L526-A529 WeakPolarHBondContact O-CB 3.37Å; L526-A529 PolarHBondContact O-N 2.91Å; L526-A529 VanDerWaalsContact O-N 3.15Å; L526-L530 HydrophobicContact CD1-CD1 4.44Å; L526-L530 HydrophobicContact CD1-CG 4.37Å; L526-L530 HydrophobicContact CG-CD1 4.16Å; L526-L530 VanDerWaalsContact O-CG 3.27Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 3.25Å; L526-H664 WeakPolarHBondContact CD1-O 3.43Å
527S86.9Confident86.6Confident35 Ų3547 Ų4725%0.24524%0.241CC..Hα-helixtrans-62.3-42.4177.5-60.90000111.5F523 D524 L525 A529 L530 L531F523-S527 WeakPolarHBondContact CE1-OG 3.47Å; F523-S527 VanDerWaalsContact O-CB 3.3Å; F523-S527 WeakPolarHBondContact O-CB 3.26Å; F523-S527 PolarHBondContact O-N 3.39Å; F523-S527 PolarHBondContact O-OG 2.67Å; D524-S527 WeakPolarHBondContact O-CB 3.26Å; D524-S527 PolarHBondContact O-N 2.88Å; L525-S527 VanDerWaalsContact C-N 3.34Å; L525-S527 PolarHBondContact O-N 2.83Å; S527-A529 VanDerWaalsContact C-N 3.33Å; S527-A529 PolarHBondContact O-N 2.94Å; S527-L530 PolarHBondContact O-N 2.89Å; S527-L531 WeakPolarHBondContact O-CG 3.25Å; S527-L531 PolarHBondContact O-N 3.16Å
528K88Confident86.1Confident91 Ų9151.3 Ų51.340%0.39626%0.26SS..Hα-helixtrans-60.1-42.2172.3-74.6168.5176.6163.30111.7D524 L525 L526 L531 C532 I553D524-K528 WeakPolarHBondContact O-CG 3.34Å; D524-K528 PolarHBondContact O-N 2.85Å; D524-K528 IonicContact OD1-NZ 3.68Å; D524-K528 VanDerWaalsContact OD2-CE 3.3Å; D524-K528 WeakPolarHBondContact OD2-CE 3.45Å; D524-K528 IonicContact OD2-NZ 2.77Å; D524-K528 PolarHBondContact OD2-NZ 2.79Å; L525-K528 PolarHBondContact O-N 2.89Å; L526-K528 VanDerWaalsContact C-N 3.34Å; L526-K528 PolarHBondContact O-N 3.46Å; K528-L531 PolarHBondContact O-N 3.48Å; K528-C532 PolarHBondContact O-N 2.67Å; K528-C532 PolarHBondContact O-SG 2.86Å; K528-I553 HydrophobicContact CB-CD1 3.8Å; K528-I553 HydrophobicContact CB-CG1 4.18Å
529A89Confident85.5Confident0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-64.4-43.4179.200000111.1T520 L525 L526 S527 C532 V533 I553 F618 P620T520-A529 HydrophobicContact CG2-CB 3.86Å; L525-A529 WeakPolarHBondContact O-CB 3.5Å; L525-A529 PolarHBondContact O-N 2.86Å; L526-A529 WeakPolarHBondContact O-CB 3.37Å; L526-A529 PolarHBondContact O-N 2.91Å; L526-A529 VanDerWaalsContact O-N 3.15Å; S527-A529 VanDerWaalsContact C-N 3.33Å; S527-A529 PolarHBondContact O-N 2.94Å; A529-C532 WeakPolarHBondContact O-CB 3.3Å; A529-C532 PolarHBondContact O-N 2.88Å; A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 2.87Å; A529-I553 HydrophobicContact CB-CD1 3.87Å; A529-F618 HydrophobicContact CB-CE1 3.99Å; A529-P620 HydrophobicContact CB-CG 4.33Å
530L89.3Confident84.6Confident22 Ų2255.1 Ų55.112%0.11528%0.28CS..Hα-helixtrans-62.2-43.7175.3-64.5166.9000111.4L526 S527 C532 V533 E534 M623 T665 P667L526-L530 HydrophobicContact CD1-CD1 4.44Å; L526-L530 HydrophobicContact CD1-CG 4.37Å; L526-L530 HydrophobicContact CG-CD1 4.16Å; L526-L530 VanDerWaalsContact O-CG 3.27Å; L526-L530 WeakPolarHBondContact O-CG 3.44Å; L526-L530 PolarHBondContact O-N 3.25Å; S527-L530 PolarHBondContact O-N 2.89Å; L530-C532 VanDerWaalsContact C-N 3.35Å; L530-C532 PolarHBondContact O-N 2.8Å; L530-V533 PolarHBondContact O-N 3.05Å; L530-E534 WeakPolarHBondContact O-CG 2.84Å; L530-E534 PolarHBondContact O-N 2.8Å; L530-M623 HydrophobicContact CD2-CE 3.73Å; L530-M623 HydrophobicContact CD2-SD 3.88Å; L530-T665 WeakPolarHBondContact CD2-O 3.11Å; L530-P667 HydrophobicContact CD1-CB 4.12Å; L530-P667 HydrophobicContact CD2-CB 4.13Å
531L87.4Confident84Confident91 Ų9161.4 Ų61.448%0.47631%0.314SS..Hα-helixtrans-61.8-41174.7-73.8170.9000112.1S527 K528 E534 Q535S527-L531 WeakPolarHBondContact O-CG 3.25Å; S527-L531 PolarHBondContact O-N 3.16Å; K528-L531 PolarHBondContact O-N 3.48Å; L531-E534 PolarHBondContact O-N 2.98Å; L531-Q535 WeakPolarHBondContact O-CB 3.28Å; L531-Q535 VanDerWaalsContact O-CG 3.29Å; L531-Q535 WeakPolarHBondContact O-CG 3.47Å; L531-Q535 PolarHBondContact O-N 2.82Å
532C87.1Confident83.9Confident14 Ų1464.3 Ų64.310%0.09532%0.32CS..Hα-helixtrans-60.5-46.1175.1-66.90000110.7K528 A529 L530 E534 Q535 F536 P620K528-C532 PolarHBondContact O-N 2.67Å; K528-C532 PolarHBondContact O-SG 2.86Å; A529-C532 WeakPolarHBondContact O-CB 3.3Å; A529-C532 PolarHBondContact O-N 2.88Å; L530-C532 VanDerWaalsContact C-N 3.35Å; L530-C532 PolarHBondContact O-N 2.8Å; C532-E534 PolarHBondContact O-N 3.29Å; C532-Q535 PolarHBondContact O-N 2.87Å; C532-F536 WeakPolarHBondContact O-CB 3.23Å; C532-F536 PolarHBondContact O-N 2.69Å; C532-P620 HydrophobicContact CB-CG 4.13Å
533V87.1Confident83.3Confident0 Ų063.7 Ų63.70%033%0.332CS..Hα-helixtrans-62.6-43.5176.2178.30000111.8A529 L530 F536 N537 P620 M623 T665A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 2.87Å; L530-V533 PolarHBondContact O-N 3.05Å; V533-F536 PolarHBondContact O-N 2.74Å; V533-N537 WeakPolarHBondContact CG1-ND2 3.44Å; V533-N537 WeakPolarHBondContact O-CB 3.22Å; V533-N537 PolarHBondContact O-N 3.43Å; V533-N537 PolarHBondContact O-ND2 3.47Å; V533-P620 HydrophobicContact CG2-CB 3.58Å; V533-P620 HydrophobicContact CG2-CG 3.68Å; V533-P620 WeakPolarHBondContact CG2-O 3.08Å; V533-M623 HydrophobicContact CB-SD 3.88Å; V533-M623 HydrophobicContact CG1-CG 3.58Å; V533-M623 HydrophobicContact CG1-SD 3.53Å; V533-M623 VanDerWaalsContact CG1-SD 3.53Å; V533-M623 HydrophobicContact CG2-SD 4.41Å; V533-T665 HydrophobicContact CG2-CG2 3.56Å
534E84.5Confident83Confident89 Ų8961.2 Ų61.242%0.41633%0.325SS..Hα-helixtrans-63.8-43.6178.6-76.3-177.2-171.200111.8L530 L531 C532 K538L530-E534 WeakPolarHBondContact O-CG 2.84Å; L530-E534 PolarHBondContact O-N 2.8Å; L531-E534 PolarHBondContact O-N 2.98Å; C532-E534 PolarHBondContact O-N 3.29Å; E534-K538 WeakPolarHBondContact O-CB 3.43Å; E534-K538 VanDerWaalsContact O-CG 3.25Å; E534-K538 WeakPolarHBondContact O-CG 3.47Å; E534-K538 PolarHBondContact O-N 2.83Å
535Q82.6Confident82.2Confident92 Ų9262.7 Ų62.743%0.4334%0.339SS..Hα-helixtrans-68.5-40.7176.5-73179.3-8.500111.6L531 C532 K538 T539 L551L531-Q535 WeakPolarHBondContact O-CB 3.28Å; L531-Q535 VanDerWaalsContact O-CG 3.29Å; L531-Q535 WeakPolarHBondContact O-CG 3.47Å; L531-Q535 PolarHBondContact O-N 2.82Å; C532-Q535 PolarHBondContact O-N 2.87Å; Q535-K538 PolarHBondContact O-N 3.11Å; Q535-T539 WeakPolarHBondContact O-CB 3.34Å; Q535-T539 PolarHBondContact O-N 3.32Å; Q535-T539 PolarHBondContact O-OG1 2.93Å; Q535-L551 HydrophobicContact CB-CD2 3.48Å; Q535-L551 VanDerWaalsContact CB-CD2 3.48Å
536F81.5Confident81.1Confident11 Ų1164.3 Ų64.35%0.04835%0.348CS..Hα-helixtrans-59.2-50.1174.8-177-95.4000111C532 V533 K538 T539 I540 L546 L548 L551 V592 A621C532-F536 WeakPolarHBondContact O-CB 3.23Å; C532-F536 PolarHBondContact O-N 2.69Å; V533-F536 PolarHBondContact O-N 2.74Å; F536-K538 PolarHBondContact O-N 2.94Å; F536-T539 PolarHBondContact O-N 2.92Å; F536-I540 HydrophobicContact CD1-CD1 3.73Å; F536-I540 HydrophobicContact CE1-CD1 3.17Å; F536-I540 HydrophobicContact CE1-CG1 4.27Å; F536-I540 HydrophobicContact CE2-CD1 4.35Å; F536-I540 HydrophobicContact CZ-CD1 3.53Å; F536-I540 HydrophobicContact CZ-CG1 4.46Å; F536-I540 WeakPolarHBondContact O-CG1 3.35Å; F536-I540 PolarHBondContact O-N 2.94Å; F536-L546 HydrophobicContact CD2-CD2 3.82Å; F536-L546 HydrophobicContact CE2-CD1 4.4Å; F536-L546 HydrophobicContact CE2-CD2 3.86Å; F536-L548 HydrophobicContact CE2-CD2 4.33Å; F536-L551 HydrophobicContact CB-CD1 4.48Å; F536-L551 HydrophobicContact CD2-CD1 4.17Å; F536-V592 HydrophobicContact CE2-CG1 4.01Å; F536-V592 HydrophobicContact CZ-CG1 3.77Å; F536-A621 HydrophobicContact CD1-CB 4.41Å; F536-A621 HydrophobicContact CE1-CB 3.84Å; F536-A621 HydrophobicContact CZ-CB 4.32Å
537N80.2Confident80.4Confident56 Ų5667.2 Ų67.230%0.29936%0.364SS..Hα-helixtrans-64.1-38.5176.2-76.4-53.5000112.5V533 N541V533-N537 WeakPolarHBondContact CG1-ND2 3.44Å; V533-N537 WeakPolarHBondContact O-CB 3.22Å; V533-N537 PolarHBondContact O-N 3.43Å; V533-N537 PolarHBondContact O-ND2 3.47Å; N537-N541 VanDerWaalsContact O-CB 3.23Å; N537-N541 WeakPolarHBondContact O-CB 3.23Å; N537-N541 PolarHBondContact O-N 2.91Å; N537-N541 PolarHBondContact O-ND2 2.98Å
538K80.1Confident79.6Confident118 Ų11867.5 Ų67.551%0.51336%0.362SS..Hα-helixtrans-61.6-44.7172.9-80171.3-178.2167.80111.5E534 Q535 F536 N541 Q542E534-K538 WeakPolarHBondContact O-CB 3.43Å; E534-K538 VanDerWaalsContact O-CG 3.25Å; E534-K538 WeakPolarHBondContact O-CG 3.47Å; E534-K538 PolarHBondContact O-N 2.83Å; Q535-K538 PolarHBondContact O-N 3.11Å; F536-K538 PolarHBondContact O-N 2.94Å; K538-N541 PolarHBondContact O-N 3Å; K538-Q542 VanDerWaalsContact O-CB 3.26Å; K538-Q542 WeakPolarHBondContact O-CB 3.49Å; K538-Q542 WeakPolarHBondContact O-CG 3.17Å; K538-Q542 PolarHBondContact O-N 2.81Å
539T76.7Confident78.8Confident23 Ų2366.7 Ų66.714%0.14136%0.362CS..Hα-helixtrans-64.8-45-179-52.50000110.9Q535 F536 Q542 G543 L544 L546Q535-T539 WeakPolarHBondContact O-CB 3.34Å; Q535-T539 PolarHBondContact O-N 3.32Å; Q535-T539 PolarHBondContact O-OG1 2.93Å; F536-T539 PolarHBondContact O-N 2.92Å; T539-Q542 PolarHBondContact O-N 2.66Å; T539-G543 PolarHBondContact O-N 3Å; T539-G543 VanDerWaalsContact O-N 3.09Å; T539-L544 HydrophobicContact CG2-CB 3.62Å; T539-L544 PolarHBondContact O-N 3.21Å; T539-L544 VanDerWaalsContact O-N 3.08Å; T539-L546 HydrophobicContact CG2-CD2 3.7Å; T539-L546 HydrophobicContact CG2-CG 4.19Å
540I73.8Confident78Confident82 Ų8272.5 Ų72.542%0.42139%0.393SS..Hα-helixtrans-60.1-50.4173.2-72.7-178.7000111.2F536 Q542 G543 L546F536-I540 HydrophobicContact CD1-CD1 3.73Å; F536-I540 HydrophobicContact CE1-CD1 3.17Å; F536-I540 HydrophobicContact CE1-CG1 4.27Å; F536-I540 HydrophobicContact CE2-CD1 4.35Å; F536-I540 HydrophobicContact CZ-CD1 3.53Å; F536-I540 HydrophobicContact CZ-CG1 4.46Å; F536-I540 WeakPolarHBondContact O-CG1 3.35Å; F536-I540 PolarHBondContact O-N 2.94Å; I540-Q542 PolarHBondContact O-N 2.67Å; I540-G543 PolarHBondContact O-N 2.78Å; I540-L546 HydrophobicContact CG1-CD1 4.05Å; I540-L546 HydrophobicContact CG1-CD2 4.17Å
541N76.7Confident77.5Confident136 Ų13672.1 Ų72.173%0.72739%0.391SS*.Hα-helixtrans-66.1-25.2-177.9-70.5-27.7000112.9N537 K538N537-N541 VanDerWaalsContact O-CB 3.23Å; N537-N541 WeakPolarHBondContact O-CB 3.23Å; N537-N541 PolarHBondContact O-N 2.91Å; N537-N541 PolarHBondContact O-ND2 2.98Å; K538-N541 PolarHBondContact O-N 3Å
542Q80.3Confident77.4Confident133 Ų13368.6 Ų68.662%0.62138%0.376SS*.THydrogen-bonded Turntrans-89.3-6.1175.8-70.1173.50.100113.2K538 T539 I540 L544K538-Q542 VanDerWaalsContact O-CB 3.26Å; K538-Q542 WeakPolarHBondContact O-CB 3.49Å; K538-Q542 WeakPolarHBondContact O-CG 3.17Å; K538-Q542 PolarHBondContact O-N 2.81Å; T539-Q542 PolarHBondContact O-N 2.66Å; I540-Q542 PolarHBondContact O-N 2.67Å; Q542-L544 HydrophobicContact CB-CD1 4.05Å; Q542-L544 HydrophobicContact CB-CG 4.08Å; Q542-L544 PolarHBondContact O-N 2.91Å; Q542-L544 VanDerWaalsContact OE1-CD1 3.26Å
543G74.2Confident77.6Confident68 Ų6868.6 Ų68.670%0.70137%0.374SS*.THydrogen-bonded Turntrans64.623.6-177.200000114.1T539 I540T539-G543 PolarHBondContact O-N 3Å; T539-G543 VanDerWaalsContact O-N 3.09Å; I540-G543 PolarHBondContact O-N 2.78Å
544L74.4Confident77.7Confident91 Ų9171.7 Ų71.748%0.47640%0.396SS..  trans-77.1149.6178.5-74.8168.2000110.5T539 Q542 L546T539-L544 HydrophobicContact CG2-CB 3.62Å; T539-L544 PolarHBondContact O-N 3.21Å; T539-L544 VanDerWaalsContact O-N 3.08Å; Q542-L544 HydrophobicContact CB-CD1 4.05Å; Q542-L544 HydrophobicContact CB-CG 4.08Å; Q542-L544 PolarHBondContact O-N 2.91Å; Q542-L544 VanDerWaalsContact OE1-CD1 3.26Å; L544-L546 PolarHBondContact O-N 3.49Å
545P69.7Low78.1Confident119 Ų11969.6 Ų69.677%0.77339%0.387SS*.  trans-59.7125.7172.322.7-29.9000110.2N547P545-N547 PolarHBondContact O-N 2.63Å
546L65.8Low78.5Confident62 Ų6268.4 Ų68.433%0.32539%0.386SS..  trans-7899.1179.4-74.1159.1000109.5F536 T539 I540 L544 L548 L551F536-L546 HydrophobicContact CD2-CD2 3.82Å; F536-L546 HydrophobicContact CE2-CD1 4.4Å; F536-L546 HydrophobicContact CE2-CD2 3.86Å; T539-L546 HydrophobicContact CG2-CD2 3.7Å; T539-L546 HydrophobicContact CG2-CG 4.19Å; I540-L546 HydrophobicContact CG1-CD1 4.05Å; I540-L546 HydrophobicContact CG1-CD2 4.17Å; L544-L546 PolarHBondContact O-N 3.49Å; L546-L548 PolarHBondContact O-N 3.39Å; L546-L551 HydrophobicContact CD2-CD1 3.96Å
547N73Confident79Confident79 Ų7967.9 Ų67.942%0.42238%0.384SS..  trans-80.195.9160.4-1692.9000108.5P545 D549 D550P545-N547 PolarHBondContact O-N 2.63Å; N547-D549 PolarHBondContact O-N 3.06Å; N547-D549 PolarHBondContact OD1-N 2.57Å; N547-D550 HydrophobicContact CB-CB 4.45Å; N547-D550 VanDerWaalsContact ND2-CG 3.32Å; N547-D550 PolarHBondContact ND2-OD2 2.75Å; N547-D550 PolarHBondContact O-N 2.79Å
548L70.5Confident79.5Confident41 Ų4168.8 Ų68.822%0.21539%0.388CS..THydrogen-bonded Turntrans-62.8-27.4-176.5-79.4139000112.8F536 L546 L551 A552 V592 T619F536-L548 HydrophobicContact CE2-CD2 4.33Å; L546-L548 PolarHBondContact O-N 3.39Å; L548-L551 CarbonylContact O-C 3.52Å; L548-L551 PolarHBondContact O-N 2.79Å; L548-A552 PolarHBondContact O-N 2.91Å; L548-V592 HydrophobicContact CD2-CG1 4.36Å; L548-T619 HydrophobicContact CB-CG2 4.49Å; L548-T619 HydrophobicContact CD2-CG2 4.12Å; L548-T619 WeakPolarHBondContact O-CG2 3.24Å
549D70.1Confident80Confident73 Ų7363.1 Ų63.139%0.3936%0.363SS..THydrogen-bonded Turntrans-65.9-39179-67.6-39.4000112N547 L551 A552 R598 L617N547-D549 PolarHBondContact O-N 3.06Å; N547-D549 PolarHBondContact OD1-N 2.57Å; D549-L551 PolarHBondContact O-N 3.25Å; D549-A552 PolarHBondContact O-N 3.11Å; D549-R598 IonicContact OD1-CZ 3.6Å; D549-R598 IonicContact OD1-NH2 3.8Å; D549-R598 PolarHBondContact OD1-NH2 2.92Å; D549-L617 WeakPolarHBondContact OD1-CD2 3.26Å
550D73.3Confident80.6Confident122 Ų12265.5 Ų65.565%0.65237%0.373SS*.THydrogen-bonded Turntrans-72.6-16.3178.3-65.1-29.5000112.4N547N547-D550 HydrophobicContact CB-CB 4.45Å; N547-D550 VanDerWaalsContact ND2-CG 3.32Å; N547-D550 PolarHBondContact ND2-OD2 2.75Å; N547-D550 PolarHBondContact O-N 2.79Å
551L79.4Confident81.4Confident14 Ų1461.6 Ų61.67%0.07335%0.353CS..THydrogen-bonded Turntrans-107.220.8-177.8-63.8173000112.5Q535 F536 L546 L548 D549Q535-L551 HydrophobicContact CB-CD2 3.48Å; Q535-L551 VanDerWaalsContact CB-CD2 3.48Å; F536-L551 HydrophobicContact CB-CD1 4.48Å; F536-L551 HydrophobicContact CD2-CD1 4.17Å; L546-L551 HydrophobicContact CD2-CD1 3.96Å; L548-L551 CarbonylContact O-C 3.52Å; L548-L551 PolarHBondContact O-N 2.79Å; D549-L551 PolarHBondContact O-N 3.25Å
552A85.4Confident81.8Confident18 Ų1856.6 Ų56.615%0.14933%0.328CS..  trans-116.7144.9-175.500000113.2L548 D549 L617 F618 T619L548-A552 PolarHBondContact O-N 2.91Å; D549-A552 PolarHBondContact O-N 3.11Å; A552-L617 HydrophobicContact CB-CB 3.95Å; A552-L617 HydrophobicContact CB-CD2 3.87Å; A552-L617 HydrophobicContact CB-CG 4.42Å; A552-F618 WeakPolarHBondContact CA-O 3.3Å; A552-T619 HydrophobicContact CB-CG2 3.5Å
553I90.2Very high82.1Confident13 Ų1350.6 Ų50.67%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-84.4123.1159.3-52.8-177.8000107.8F519 L525 K528 A529 L617 F618F519-I553 HydrophobicContact CD1-CB 4.02Å; F519-I553 HydrophobicContact CD1-CG2 3.84Å; F519-I553 HydrophobicContact CE1-CG2 4.36Å; F519-I553 WeakPolarHBondContact CE1-O 3.35Å; L525-I553 HydrophobicContact CD2-CG2 4.14Å; L525-I553 WeakPolarHBondContact O-CD1 3.44Å; K528-I553 HydrophobicContact CB-CD1 3.8Å; K528-I553 HydrophobicContact CB-CG1 4.18Å; A529-I553 HydrophobicContact CB-CD1 3.87Å; I553-L617 CarbonylContact O-C 3.57Å; I553-L617 WeakPolarHBondContact O-CA 3.17Å; I553-F618 HydrophobicContact CB-CB 4.35Å; I553-F618 HydrophobicContact CD1-CD1 4.11Å; I553-F618 HydrophobicContact CG1-CD1 4.49Å; I553-F618 PolarHBondContact N-O 2.95Å; I553-F618 PolarHBondContact O-N 2.88Å
554C90.1Very high82.7Confident66 Ų6653.3 Ų53.345%0.44630%0.299SS..EExtended strand (participates in β ladder)trans-104.1140.6-178.3-62.70000111.5T615 I616C554-T615 HydrophobicContact CB-CG2 3.91Å; C554-I616 CarbonylContact C-O 3.6Å; C554-I616 WeakPolarHBondContact CA-O 2.9Å
555N91.1Very high83.5Confident44 Ų4452 Ų5224%0.23529%0.29CS..EExtended strand (participates in β ladder)trans-134152.5171.4-91.1-38.2000110.4W517 F519 T615 I616W517-N555 HydrophobicContact CE3-CB 3.63Å; W517-N555 HydrophobicContact CH2-CB 4.16Å; W517-N555 HydrophobicContact CZ3-CB 3.41Å; W517-N555 VanDerWaalsContact CZ3-CB 3.41Å; W517-N555 VanDerWaalsContact CZ3-CG 3.46Å; F519-N555 HydrophobicContact CE1-CB 3.94Å; F519-N555 VanDerWaalsContact CE1-ND2 3.27Å; F519-N555 WeakPolarHBondContact CE1-ND2 3.17Å; F519-N555 HydrophobicContact CZ-CB 3.91Å; N555-T615 CarbonylContact O-C 3.54Å; N555-T615 WeakPolarHBondContact O-CA 3.48Å; N555-I616 PolarHBondContact N-O 3.07Å; N555-I616 PolarHBondContact O-N 3.49Å
556T92.6Very high84.6Confident68 Ų6848.5 Ų48.542%0.41727%0.267SS..EExtended strand (participates in β ladder)trans-103.6115.4-176.3-53.60000111.2N513 W517 I558 E613 F614N513-T556 PolarHBondContact ND2-O 3.06Å; W517-T556 WeakPolarHBondContact CH2-O 3.3Å; T556-I558 HydrophobicContact CG2-CG1 4.29Å; T556-E613 HydrophobicContact CG2-CB 3.94Å; T556-F614 CarbonylContact C-O 3.47Å; T556-F614 WeakPolarHBondContact CA-O 3.15Å
557L92.1Very high86Confident0 Ų045.5 Ų45.50%025%0.251CS..EExtended strand (participates in β ladder)trans-90.9122.5173.4179.270.8000109.3L512 W517 I559 W571 I599 E613 F614 I616 V659L512-L557 HydrophobicContact CD2-CD1 4.06Å; L512-L557 HydrophobicContact CD2-CG 4.4Å; W517-L557 HydrophobicContact CZ2-CD1 4.29Å; L557-I559 HydrophobicContact CG-CG1 4.47Å; L557-W571 HydrophobicContact CD2-CH2 3.84Å; L557-W571 HydrophobicContact CD2-CZ2 3.44Å; L557-W571 VanDerWaalsContact CD2-CZ2 3.44Å; L557-I599 HydrophobicContact CD2-CD1 4.33Å; L557-E613 CarbonylContact O-C 3.53Å; L557-E613 WeakPolarHBondContact O-CA 3.29Å; L557-F614 HydrophobicContact CB-CB 4.19Å; L557-F614 HydrophobicContact CD2-CB 4.44Å; L557-F614 PolarHBondContact N-O 2.92Å; L557-F614 PolarHBondContact O-N 2.98Å; L557-I616 HydrophobicContact CB-CD1 3.95Å; L557-I616 HydrophobicContact CB-CG1 3.96Å; L557-I616 HydrophobicContact CD1-CD1 4.42Å; L557-I616 HydrophobicContact CD2-CD1 4.39Å; L557-V659 HydrophobicContact CD1-CG2 4.09Å; L557-V659 HydrophobicContact CD2-CG2 4.01Å
558I91Very high87Confident74 Ų7443.8 Ų43.838%0.37924%0.241SC..EExtended strand (participates in β ladder)trans-108.3127.5178.6-57.5173.8000108.4N513 T556N513-I558 HydrophobicContact CB-CB 4.23Å; N513-I558 PolarHBondContact N-O 2.59Å; N513-I558 VanDerWaalsContact N-O 3.09Å; N513-I558 PolarHBondContact OD1-N 3.4Å; N513-I558 PolarHBondContact OD1-O 3.06Å; T556-I558 HydrophobicContact CG2-CG1 4.29Å
559I90.1Very high88.2Confident0 Ų041.9 Ų41.90%023%0.231CC..EExtended strand (participates in β ladder)trans-114.3126.9177.1-44.9-171.6000108.5L510 S511 L512 L557 I569 W571 L606 S611 T612 F614 L657L510-I559 HydrophobicContact CD2-CG2 3.91Å; S511-I559 WeakPolarHBondContact O-CA 3.39Å; L512-I559 HydrophobicContact CD2-CB 4.29Å; L512-I559 HydrophobicContact CD2-CD1 4.13Å; L512-I559 HydrophobicContact CD2-CG1 3.66Å; L512-I559 HydrophobicContact CD2-CG2 4.24Å; L557-I559 HydrophobicContact CG-CG1 4.47Å; I559-I569 HydrophobicContact CD1-CD1 3.47Å; I559-I569 VanDerWaalsContact CD1-CD1 3.47Å; I559-I569 HydrophobicContact CD1-CG2 4.42Å; I559-W571 HydrophobicContact CD1-CZ2 3.68Å; I559-L606 HydrophobicContact CB-CD2 4.47Å; I559-L606 HydrophobicContact CG2-CD1 3.99Å; I559-S611 CarbonylContact O-C 3.47Å; I559-S611 VanDerWaalsContact O-CA 3.28Å; I559-S611 WeakPolarHBondContact O-CA 3.25Å; I559-T612 PolarHBondContact N-O 2.89Å; I559-T612 PolarHBondContact O-N 3.47Å; I559-F614 HydrophobicContact CD1-CD2 3.61Å; I559-F614 HydrophobicContact CD1-CE2 3.37Å; I559-F614 HydrophobicContact CD1-CZ 4.26Å; I559-F614 HydrophobicContact CG1-CD2 3.9Å; I559-F614 HydrophobicContact CG1-CE2 3.97Å; I559-L657 HydrophobicContact CD1-CD1 4.28Å; I559-L657 HydrophobicContact CG2-CD1 3.82Å
560Q89.2Confident89.3Confident73 Ų7339.4 Ų39.434%0.34122%0.218SC..EExtended strand (participates in β ladder)trans-107128.7174.8-171.3-179.6-0.200110L510 S511L510-Q560 WeakPolarHBondContact CA-O 3.23Å; S511-Q560 PolarHBondContact N-O 2.84Å; S511-Q560 VanDerWaalsContact N-O 3.14Å; S511-Q560 PolarHBondContact O-N 2.88Å; S511-Q560 WeakPolarHBondContact OG-CB 3.26Å
561N90.7Very high90.3Very high0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-99.3103.5172.2175.514.4000108.5T563 H565 L606 A607 N609 S610N561-T563 VanDerWaalsContact C-N 3.28Å; N561-T563 WeakPolarHBondContact OD1-CA 3.35Å; N561-T563 VanDerWaalsContact OD1-CB 3.27Å; N561-T563 WeakPolarHBondContact OD1-CB 3.47Å; N561-T563 WeakPolarHBondContact OD1-CG2 3.43Å; N561-T563 PolarHBondContact OD1-N 2.89Å; N561-T563 PolarHBondContact OD1-OG1 2.75Å; N561-H565 PolarHBondContact ND2-O 2.89Å; N561-L606 HydrophobicContact CB-CB 4.02Å; N561-L606 PolarHBondContact ND2-O 2.61Å; N561-A607 PolarHBondContact ND2-O 3.01Å; N561-N609 CarbonylContact O-C 3.51Å; N561-N609 WeakPolarHBondContact O-CA 3.15Å; N561-N609 PolarHBondContact O-N 2.82Å; N561-S610 PolarHBondContact N-O 2.94Å; N561-S610 PolarHBondContact O-N 3.21Å
562C85Confident90.8Very high31 Ų3133.8 Ų33.821%0.20919%0.188CC..  trans-91.212175.7-60.70000112.2L509 N609L509-C562 WeakPolarHBondContact O-CA 3.37Å; L509-C562 WeakPolarHBondContact O-CB 3.16Å; L509-C562 PolarHBondContact O-N 3.4Å; C562-N609 PolarHBondContact O-OD1 2.94Å
563T87.4Confident90.7Very high7 Ų734.8 Ų34.84%0.04319%0.194CC..SBendtrans-88.5155.7174.580.20000111.1L509 N561 H565 L567 P608 N609 Y655L509-T563 HydrophobicContact CB-CG2 3.94Å; L509-T563 HydrophobicContact CD2-CG2 4.33Å; N561-T563 VanDerWaalsContact C-N 3.28Å; N561-T563 WeakPolarHBondContact OD1-CA 3.35Å; N561-T563 VanDerWaalsContact OD1-CB 3.27Å; N561-T563 WeakPolarHBondContact OD1-CB 3.47Å; N561-T563 WeakPolarHBondContact OD1-CG2 3.43Å; N561-T563 PolarHBondContact OD1-N 2.89Å; N561-T563 PolarHBondContact OD1-OG1 2.75Å; T563-H565 PolarHBondContact O-N 2.87Å; T563-H565 PolarHBondContact OG1-N 2.79Å; T563-H565 PolarHBondContact OG1-O 2.81Å; T563-H565 VanDerWaalsContact OG1-O 3.1Å; T563-L567 HydrophobicContact CG2-CD1 4.42Å; T563-P608 VanDerWaalsContact O-CA 3.31Å; T563-P608 WeakPolarHBondContact O-CA 3.28Å; T563-P608 WeakPolarHBondContact O-CB 3.45Å; T563-N609 PolarHBondContact O-N 3.31Å; T563-Y655 HydrophobicContact CG2-CE2 4.35Å
564N86.8Confident90.4Very high125 Ų12535 Ų3567%0.66820%0.195SC*.SBendtrans-79.514.5172.2-67.6-23.7000113.4N609N564-N609 PolarHBondContact OD1-ND2 3.34Å
565H89.3Confident89.9Confident63 Ų6335.7 Ų35.729%0.29219%0.19SC..SBendtrans-125.2149.1-177.2-62.1-68.3000111.2N561 T563 Y637N561-H565 PolarHBondContact ND2-O 2.89Å; T563-H565 PolarHBondContact O-N 2.87Å; T563-H565 PolarHBondContact OG1-N 2.79Å; T563-H565 PolarHBondContact OG1-O 2.81Å; T563-H565 VanDerWaalsContact OG1-O 3.1Å; H565-Y637 HydrophobicContact CB-CD1 3.66Å; H565-Y637 HydrophobicContact CB-CE1 3.77Å; H565-Y637 AromaticContact CD2-CE1 3.72Å; H565-Y637 AromaticContact CG-CE1 3.99Å
566V94Very high89.2Confident45 Ų4537.3 Ų37.327%0.27320%0.197SC..  trans-73.5129.4172-1790000108.3E605 P608 K638V566-E605 HydrophobicContact CG1-CG 3.52Å; V566-E605 WeakPolarHBondContact CG1-OE1 3.4Å; V566-P608 HydrophobicContact CG2-CG 3.94Å; V566-K638 HydrophobicContact CB-CB 4.2Å; V566-K638 HydrophobicContact CB-CD 4.35Å; V566-K638 HydrophobicContact CG1-CB 4.05Å; V566-K638 HydrophobicContact CG1-CD 3.65Å; V566-K638 WeakPolarHBondContact O-CB 3.21Å; V566-K638 PolarHBondContact O-N 3.06Å
567L94.6Very high88.3Confident0 Ų034.4 Ų34.40%018%0.178CC..EExtended strand (participates in β ladder)trans-114.1152.2176.2-54177.8000110.4L510 T563 L606 A635 M636 Y637L510-L567 HydrophobicContact CD1-CD1 3.5Å; L510-L567 VanDerWaalsContact CD1-CD1 3.5Å; L510-L567 HydrophobicContact CD2-CD1 4.17Å; L510-L567 HydrophobicContact CG-CD1 4.13Å; T563-L567 HydrophobicContact CG2-CD1 4.42Å; L567-L606 HydrophobicContact CB-CB 4.23Å; L567-L606 HydrophobicContact CB-CD1 4.42Å; L567-L606 PolarHBondContact N-O 3.36Å; L567-L606 PolarHBondContact O-N 2.71Å; L567-A635 HydrophobicContact CD1-CB 4.36Å; L567-M636 CarbonylContact C-O 3.51Å; L567-M636 VanDerWaalsContact CA-O 3.22Å; L567-M636 WeakPolarHBondContact CA-O 3.41Å; L567-Y637 HydrophobicContact CD2-CD1 3.35Å; L567-Y637 HydrophobicContact CD2-CD2 4.15Å; L567-Y637 HydrophobicContact CD2-CE1 3.63Å; L567-Y637 HydrophobicContact CD2-CE2 4.37Å; L567-Y637 HydrophobicContact CD2-CG 3.63Å
568I94.3Very high87Confident43 Ų4336.4 Ų36.422%0.22119%0.189CC..EExtended strand (participates in β ladder)trans-116.5118.7168.7-61.6171.1000105.9M636 K638I568-M636 PolarHBondContact N-O 2.95Å; I568-M636 PolarHBondContact O-N 3.49Å; I568-K638 HydrophobicContact CD1-CB 4.1Å; I568-K638 HydrophobicContact CD1-CD 4.06Å; I568-K638 HydrophobicContact CD1-CG 3.81Å; I568-K638 HydrophobicContact CG1-CB 4.19Å; I568-K638 HydrophobicContact CG1-CD 4.31Å; I568-K638 HydrophobicContact CG1-CG 4.31Å
569I94.6Very high85.5Confident0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-96137.9174.6-168173.9000109.9I559 W571 S603 K604 L606 F614 F634 A635 L657I559-I569 HydrophobicContact CD1-CD1 3.47Å; I559-I569 VanDerWaalsContact CD1-CD1 3.47Å; I559-I569 HydrophobicContact CD1-CG2 4.42Å; I569-W571 HydrophobicContact CD1-CZ2 3.88Å; I569-S603 VanDerWaalsContact O-CA 3.24Å; I569-S603 WeakPolarHBondContact O-CA 3.26Å; I569-S603 WeakPolarHBondContact O-CB 3.17Å; I569-S603 PolarHBondContact O-OG 3.37Å; I569-K604 PolarHBondContact N-O 3.21Å; I569-K604 PolarHBondContact O-N 2.93Å; I569-L606 HydrophobicContact CB-CD1 4.09Å; I569-L606 HydrophobicContact CG2-CD1 4.09Å; I569-L606 HydrophobicContact CG2-CD2 4.23Å; I569-L606 HydrophobicContact CG2-CG 4.12Å; I569-F614 HydrophobicContact CG2-CE1 4.27Å; I569-F614 HydrophobicContact CG2-CE2 3.9Å; I569-F614 HydrophobicContact CG2-CZ 3.32Å; I569-F634 WeakPolarHBondContact CA-O 3.39Å; I569-A635 HydrophobicContact CB-CB 4.23Å; I569-A635 HydrophobicContact CD1-CB 4.48Å; I569-A635 HydrophobicContact CG1-CB 4.22Å; I569-L657 HydrophobicContact CD1-CD1 3.71Å
570H94.2Very high83.8Confident22 Ų2242 Ų4210%0.10222%0.222CC..EExtended strand (participates in β ladder)trans-127.3123.6174.4-174.5-80.1000110.1V421 G633 F634 M636V421-H570 VanDerWaalsContact CG1-NE2 3.27Å; V421-H570 WeakPolarHBondContact CG1-NE2 3.2Å; V421-H570 HydrophobicContact CG2-CB 4.2Å; H570-G633 WeakPolarHBondContact O-CA 3.11Å; H570-F634 PolarHBondContact N-O 2.99Å; H570-F634 PolarHBondContact O-N 3.11Å; H570-M636 HydrophobicContact CB-CE 4.27Å
571W94Very high81.9Confident3 Ų347.1 Ų47.11%0.01125%0.246CC..EExtended strand (participates in β ladder)trans-87.2133.4176.2-67.5104.6000111.2L557 I559 I569 I599 Q602 F614 F631 E632 G633 L657 V659L557-W571 HydrophobicContact CD2-CH2 3.84Å; L557-W571 HydrophobicContact CD2-CZ2 3.44Å; L557-W571 VanDerWaalsContact CD2-CZ2 3.44Å; I559-W571 HydrophobicContact CD1-CZ2 3.68Å; I569-W571 HydrophobicContact CD1-CZ2 3.88Å; W571-I599 HydrophobicContact CD2-CD1 3.71Å; W571-I599 HydrophobicContact CD2-CG2 4.35Å; W571-I599 HydrophobicContact CE3-CD1 3.72Å; W571-I599 HydrophobicContact CG-CB 4.3Å; W571-I599 HydrophobicContact CG-CD1 4.22Å; W571-I599 HydrophobicContact CG-CG2 4.06Å; W571-I599 HydrophobicContact CH2-CD1 4.33Å; W571-I599 HydrophobicContact CZ2-CD1 4.31Å; W571-I599 HydrophobicContact CZ3-CD1 4.03Å; W571-Q602 HydrophobicContact CB-CG 4.47Å; W571-Q602 PolarHBondContact N-O 2.91Å; W571-Q602 WeakPolarHBondContact O-CG 3.48Å; W571-Q602 PolarHBondContact O-NE2 3.06Å; W571-F614 AromaticContact CD1-CD1 3.83Å; W571-F614 AromaticContact CD1-CE1 3.64Å; W571-F614 AromaticContact NE1-CD1 3.49Å; W571-F614 AromaticContact NE1-CE1 3.41Å; W571-F614 AromaticContact NE1-CG 3.89Å; W571-F614 AromaticContact NE1-CZ 3.76Å; W571-F631 HydrophobicContact CE3-CB 3.81Å; W571-F631 HydrophobicContact CZ3-CB 3.91Å; W571-E632 WeakPolarHBondContact CA-O 3.45Å; W571-E632 VanDerWaalsContact CE3-C 3.47Å; W571-G633 VanDerWaalsContact CE3-N 3.28Å; W571-L657 HydrophobicContact CH2-CB 4.33Å; W571-V659 HydrophobicContact CH2-CB 4.43Å; W571-V659 HydrophobicContact CH2-CG2 3.56Å; W571-V659 HydrophobicContact CZ3-CB 4.36Å; W571-V659 HydrophobicContact CZ3-CG2 3.93Å
572T89.8Confident79.7Confident14 Ų1452.8 Ų52.89%0.08627%0.272CS..  trans-69.9145.3173.354.60000111.4S391 V393 E632 F634S391-T572 WeakPolarHBondContact O-CB 3.47Å; S391-T572 PolarHBondContact O-OG1 3.11Å; V393-T572 HydrophobicContact CG2-CG2 3.81Å; T572-E632 HydrophobicContact CG2-CB 4Å; T572-E632 PolarHBondContact N-O 2.79Å; T572-E632 PolarHBondContact OG1-N 2.77Å; T572-E632 PolarHBondContact OG1-O 2.72Å; T572-F634 HydrophobicContact CG2-CD2 4.19Å; T572-F634 HydrophobicContact CG2-CE2 3.87Å
573S84.6Confident77.7Confident40 Ų4056.3 Ų56.328%0.2830%0.297SS..  trans-119.3152.1174.961.60000109.4K575S573-K575 PolarHBondContact O-N 2.9Å
574N82.9Confident75.6Confident18 Ų1860.3 Ų60.310%0.09632%0.317CS..  trans-59.7131.2175.6-64.8-10.6000111I389 S391 I594 N595 Q629I389-N574 HydrophobicContact CG2-CB 3.97Å; S391-N574 VanDerWaalsContact CB-OD1 3.27Å; S391-N574 WeakPolarHBondContact CB-OD1 3.17Å; S391-N574 PolarHBondContact OG-OD1 2.71Å; N574-I594 HydrophobicContact CB-CG2 4.32Å; N574-N595 WeakPolarHBondContact CB-OD1 3.3Å; N574-N595 PolarHBondContact ND2-OD1 3.39Å; N574-Q629 PolarHBondContact ND2-OE1 2.74Å; N574-Q629 PolarHBondContact OD1-NE2 2.97Å; N574-Q629 PolarHBondContact OD1-OE1 3.26Å
575K79.1Confident73.5Confident79 Ų7960.7 Ų60.734%0.34332%0.319SS..EExtended strand (participates in β ladder)trans-135.7149177.3-70.4-64.4177.5-171.50111.1I389 V390 S573 L577I389-K575 WeakPolarHBondContact CA-O 3.46Å; V390-K575 PolarHBondContact N-O 2.9Å; V390-K575 PolarHBondContact O-N 3.09Å; S573-K575 PolarHBondContact O-N 2.9Å; K575-L577 PolarHBondContact O-N 3.27Å
576H76.6Confident71.3Confident79 Ų7963.6 Ų63.637%0.36634%0.337SS..EExtended strand (participates in β ladder)trans-79.4114.7173.5-164.5-87.9000109.2F387F387-H576 VanDerWaalsContact CB-CE1 3.42Å; F387-H576 WeakPolarHBondContact CB-CE1 3.36Å; F387-H576 WeakPolarHBondContact CB-NE2 3.35Å; F387-H576 AromaticContact CD2-CD2 3.43Å; F387-H576 VanDerWaalsContact CD2-CD2 3.43Å; F387-H576 WeakPolarHBondContact CD2-CD2 3.1Å; F387-H576 AromaticContact CD2-NE2 3.27Å; F387-H576 VanDerWaalsContact CD2-NE2 3.27Å; F387-H576 WeakPolarHBondContact CD2-NE2 3.3Å; F387-H576 AromaticContact CG-CD2 3.88Å; F387-H576 AromaticContact CG-NE2 3.18Å; F387-H576 WeakPolarHBondContact CG-NE2 3.11Å
577L73.8Confident69Low6 Ų667.6 Ų67.63%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-94.7103.8170.4-170.577.9000107.7L352 T388 V390 P395 I397 Y418 K575 V579L352-L577 HydrophobicContact CD1-CD1 4.31Å; L352-L577 HydrophobicContact CD2-CD1 4.11Å; T388-L577 PolarHBondContact N-O 2.73Å; T388-L577 WeakPolarHBondContact O-CA 3.46Å; T388-L577 WeakPolarHBondContact O-CB 3.4Å; T388-L577 PolarHBondContact O-N 3.09Å; V390-L577 HydrophobicContact CG1-CB 3.99Å; V390-L577 HydrophobicContact CG1-CD2 4.08Å; V390-L577 HydrophobicContact CG2-CB 4.05Å; P395-L577 HydrophobicContact CG-CD2 4.46Å; I397-L577 HydrophobicContact CG1-CD2 4.49Å; Y418-L577 HydrophobicContact CD1-CD1 3.84Å; Y418-L577 HydrophobicContact CD2-CD1 4.38Å; Y418-L577 HydrophobicContact CE1-CD1 3.96Å; Y418-L577 HydrophobicContact CE2-CD1 4.49Å; Y418-L577 HydrophobicContact CG-CD1 4.07Å; K575-L577 PolarHBondContact O-N 3.27Å; L577-V579 HydrophobicContact CD2-CG2 4.41Å
578D65.8Low66.8Low43 Ų4372.9 Ų72.923%0.2339%0.385CS..  trans-92.6109.3169-17112.4000110.1N580 Q582D578-N580 PolarHBondContact O-N 2.67Å; D578-N580 PolarHBondContact OD1-N 2.85Å; D578-Q582 VanDerWaalsContact OD2-CA 3.25Å; D578-Q582 WeakPolarHBondContact OD2-CA 3.23Å; D578-Q582 WeakPolarHBondContact OD2-CB 3.48Å; D578-Q582 PolarHBondContact OD2-N 3.22Å
579V58.5Low64.5Low73 Ų7378.9 Ų78.944%0.44241%0.413SS..THydrogen-bonded Turntrans-71.6-20.5178.1-170.40000110.8I397 L577I397-V579 HydrophobicContact CG2-CG1 4.38Å; I397-V579 HydrophobicContact CG2-CG2 4.17Å; L577-V579 HydrophobicContact CD2-CG2 4.41Å
580N55.3Low62.2Low118 Ų11884.3 Ų84.363%0.63143%0.434SS*.THydrogen-bonded Turntrans-96.18.8-174.9-70-27.1000114.5D578 Q582D578-N580 PolarHBondContact O-N 2.67Å; D578-N580 PolarHBondContact OD1-N 2.85Å; N580-Q582 PolarHBondContact O-N 2.71Å; N580-Q582 VanDerWaalsContact O-N 3.15Å
581H49.8Very low59.9Low180 Ų18088.1 Ų88.183%0.83345%0.451SS*.  trans54.328.4178.9-72-69.3000114.9
582Q43.8Very low57.7Low119 Ų11990.4 Ų90.456%0.55647%0.466SS*.  trans-92.2103.3171.6-64.9-173.3-1.100108.9D578 N580 I584D578-Q582 VanDerWaalsContact OD2-CA 3.25Å; D578-Q582 WeakPolarHBondContact OD2-CA 3.23Å; D578-Q582 WeakPolarHBondContact OD2-CB 3.48Å; D578-Q582 PolarHBondContact OD2-N 3.22Å; N580-Q582 PolarHBondContact O-N 2.71Å; N580-Q582 VanDerWaalsContact O-N 3.15Å; Q582-I584 PolarHBondContact O-N 3.44Å
583S41.7Very low55.9Low106 Ų10697 Ų9774%0.74149%0.493SS*.  trans-60.795175.2-164.60000110.2N585S583-N585 PolarHBondContact O-N 2.74Å
584I43.6Very low54.7Low90 Ų9097.6 Ų97.646%0.46249%0.493SS..  trans-80.399.9173.4-65.4167.5000107.5Q582 N586Q582-I584 PolarHBondContact O-N 3.44Å; I584-N586 HydrophobicContact CG2-CB 3.69Å; I584-N586 PolarHBondContact O-N 2.85Å
585N44.2Very low54.1Low133 Ų13399 Ų9971%0.71150%0.5SS*.  trans-80.236.5169.1-73-8.2000111.7S583 D587S583-N585 PolarHBondContact O-N 2.74Å; N585-D587 PolarHBondContact O-N 3.01Å
586N43.1Very low54.5Low124 Ų12495.8 Ų95.866%0.66349%0.488SS*.  trans-86101.5175.2-84.1-7.8000110I584 N588I584-N586 HydrophobicContact CG2-CB 3.69Å; I584-N586 PolarHBondContact O-N 2.85Å; N586-N588 PolarHBondContact O-N 2.95Å
587D45.6Very low55.1Low130 Ų13092.3 Ų92.370%0.69547%0.472SS*.  trans-38120170.6-68.9-50.6000113.8N585 Q589N585-D587 PolarHBondContact O-N 3.01Å; D587-Q589 PolarHBondContact O-N 3.03Å
588N48.4Very low55.9Low110 Ų11094.7 Ų94.759%0.58848%0.48SS*.SBendtrans47.6-20.9139.5-59.7-8.8000122.2N586 Y590N586-N588 PolarHBondContact O-N 2.95Å; N588-Y590 VanDerWaalsContact C-N 3.32Å; N588-Y590 PolarHBondContact O-N 3.36Å
589Q45.8Very low57.2Low170 Ų17093.2 Ų93.279%0.79447%0.472SS*.Hα-helixtrans-70.7-30.8-177.7-71-167.9-0.600112.4D587D587-Q589 PolarHBondContact O-N 3.03Å
590Y45.5Very low58.7Low114 Ų11493.4 Ų93.445%0.44747%0.468SS..Hα-helixtrans-75.2-38.7177.7-73-88.7000112.2N588 V592 K593 I594N588-Y590 VanDerWaalsContact C-N 3.32Å; N588-Y590 PolarHBondContact O-N 3.36Å; Y590-V592 PolarHBondContact O-N 3.36Å; Y590-V592 VanDerWaalsContact O-N 3.16Å; Y590-K593 PolarHBondContact O-N 3.17Å; Y590-I594 VanDerWaalsContact O-CD1 3.24Å; Y590-I594 WeakPolarHBondContact O-CD1 3.34Å; Y590-I594 WeakPolarHBondContact O-CG1 3.37Å; Y590-I594 PolarHBondContact O-N 3.02Å
591E46.9Very low60.6Low101 Ų10190.8 Ų90.847%0.47246%0.457SS..Hα-helixtrans-55.3-39.3-175.6-83.2-166.7150.800112.7K593 I594 N595E591-K593 PolarHBondContact O-N 3.41Å; E591-I594 PolarHBondContact O-N 3.2Å; E591-N595 PolarHBondContact O-N 2.83Å
592V48Very low62.6Low51 Ų5186.2 Ų86.231%0.30944%0.437SS..Hα-helixtrans-68.3-36.7-178.8-172.90000112F536 L548 Y590 I594F536-V592 HydrophobicContact CE2-CG1 4.01Å; F536-V592 HydrophobicContact CZ-CG1 3.77Å; L548-V592 HydrophobicContact CD2-CG1 4.36Å; Y590-V592 PolarHBondContact O-N 3.36Å; Y590-V592 VanDerWaalsContact O-N 3.16Å; V592-I594 VanDerWaalsContact C-N 3.27Å; V592-I594 PolarHBondContact O-N 2.9Å
593K51.7Low65Low153 Ų15383 Ų8367%0.66543%0.427SS*.Hα-helixtrans-70.6-24.9176.5-83.2-176.1176.9177.10112.7Y590 E591Y590-K593 PolarHBondContact O-N 3.17Å; E591-K593 PolarHBondContact O-N 3.41Å
594I58.1Low67.5Low52 Ų5281.3 Ų81.327%0.26741%0.406SS..Hα-helixtrans-88.6-33.8-170.5-65.1162.1000111.5I389 N574 Y590 E591 V592 S596I389-I594 HydrophobicContact CD1-CD1 3.71Å; I389-I594 HydrophobicContact CD1-CG1 3.98Å; I389-I594 HydrophobicContact CD1-CG2 3.66Å; I389-I594 HydrophobicContact CG2-CG2 4.29Å; N574-I594 HydrophobicContact CB-CG2 4.32Å; Y590-I594 VanDerWaalsContact O-CD1 3.24Å; Y590-I594 WeakPolarHBondContact O-CD1 3.34Å; Y590-I594 WeakPolarHBondContact O-CG1 3.37Å; Y590-I594 PolarHBondContact O-N 3.02Å; E591-I594 PolarHBondContact O-N 3.2Å; V592-I594 VanDerWaalsContact C-N 3.27Å; V592-I594 PolarHBondContact O-N 2.9Å; I594-S596 PolarHBondContact O-N 3.41Å
595N71.6Confident69.9Low49 Ų4981.4 Ų81.426%0.26241%0.405SS..  trans-103.872.2-171.6-69.1-6.7000112.9N574 E591 F597 T619N574-N595 WeakPolarHBondContact CB-OD1 3.3Å; N574-N595 PolarHBondContact ND2-OD1 3.39Å; E591-N595 PolarHBondContact O-N 2.83Å; N595-F597 PolarHBondContact O-N 2.89Å; N595-T619 PolarHBondContact O-OG1 2.95Å
596S86.1Confident72.3Confident11 Ų1175 Ų758%0.07737%0.371CS..SBendtrans-71.4-17.7172.6-56.80000113.6I594 F618 T619 Y627I594-S596 PolarHBondContact O-N 3.41Å; S596-F618 CarbonylContact O-C 3.55Å; S596-F618 WeakPolarHBondContact O-CA 3.31Å; S596-F618 WeakPolarHBondContact O-CD2 3.42Å; S596-T619 WeakPolarHBondContact CA-O 3.21Å; S596-T619 PolarHBondContact O-N 3.01Å; S596-T619 PolarHBondContact O-OG1 3.1Å; S596-Y627 VanDerWaalsContact OG-CD1 3.32Å; S596-Y627 WeakPolarHBondContact OG-CD1 3.23Å; S596-Y627 VanDerWaalsContact OG-CE1 3.25Å; S596-Y627 WeakPolarHBondContact OG-CE1 3.48Å
597F90.7Very high74.7Confident6 Ų671.3 Ų71.33%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-123.2144.2173.3-64.7-79.6000110.6F519 N595 L617 F618 Q629 F631 C661F519-F597 HydrophobicContact CB-CE1 4.41Å; F519-F597 HydrophobicContact CD2-CD1 4.25Å; F519-F597 AromaticContact CD2-CE1 3.48Å; F519-F597 HydrophobicContact CD2-CE1 3.48Å; F519-F597 VanDerWaalsContact CD2-CE1 3.48Å; F519-F597 HydrophobicContact CD2-CZ 4.35Å; F519-F597 HydrophobicContact CE2-CD1 4.14Å; F519-F597 AromaticContact CE2-CE1 3.82Å; F519-F597 HydrophobicContact CE2-CE1 3.82Å; F519-F597 AromaticContact CG-CE1 3.98Å; F519-F597 HydrophobicContact CG-CE1 3.98Å; N595-F597 PolarHBondContact O-N 2.89Å; F597-L617 CarbonylContact C-O 3.54Å; F597-L617 VanDerWaalsContact CA-O 3.26Å; F597-L617 WeakPolarHBondContact CA-O 3.4Å; F597-F618 HydrophobicContact CD1-CB 3.77Å; F597-F618 AromaticContact CD1-CD2 3.6Å; F597-F618 HydrophobicContact CD1-CD2 3.6Å; F597-F618 HydrophobicContact CD1-CG 4.01Å; F597-F618 HydrophobicContact CD2-CD2 4.35Å; F597-F618 HydrophobicContact CE1-CB 3.58Å; F597-F618 HydrophobicContact CE1-CD1 4.39Å; F597-F618 AromaticContact CE1-CD2 3.1Å; F597-F618 HydrophobicContact CE1-CD2 3.1Å; F597-F618 AromaticContact CE1-CE2 3.82Å; F597-F618 HydrophobicContact CE1-CE2 3.82Å; F597-F618 AromaticContact CE1-CG 3.44Å; F597-F618 HydrophobicContact CE1-CG 3.44Å; F597-F618 VanDerWaalsContact CE1-CG 3.44Å; F597-F618 AromaticContact CE2-CD2 3.97Å; F597-F618 HydrophobicContact CE2-CD2 3.97Å; F597-F618 HydrophobicContact CE2-CE2 4.02Å; F597-F618 HydrophobicContact CG-CD2 4.19Å; F597-F618 AromaticContact CZ-CD2 3.32Å; F597-F618 HydrophobicContact CZ-CD2 3.32Å; F597-F618 AromaticContact CZ-CE2 3.51Å; F597-F618 HydrophobicContact CZ-CE2 3.51Å; F597-F618 HydrophobicContact CZ-CG 4.01Å; F597-F618 HydrophobicContact CZ-CZ 4.31Å; F597-Q629 HydrophobicContact CB-CB 4.02Å; F597-Q629 HydrophobicContact CB-CG 4.31Å; F597-Q629 HydrophobicContact CD2-CB 3.64Å; F597-Q629 HydrophobicContact CE2-CB 4.5Å; F597-Q629 HydrophobicContact CG-CB 4.18Å; F597-F631 HydrophobicContact CB-CE2 3.73Å; F597-F631 HydrophobicContact CB-CZ 3.63Å; F597-C661 HydrophobicContact CD1-CB 3.67Å; F597-C661 HydrophobicContact CD2-CB 4.15Å; F597-C661 HydrophobicContact CE1-CB 3.71Å; F597-C661 HydrophobicContact CE2-CB 4.16Å; F597-C661 HydrophobicContact CG-CB 3.91Å; F597-C661 HydrophobicContact CZ-CB 3.96Å
598R89.7Confident76.8Confident56 Ų5667.6 Ų67.621%0.21134%0.34CS..EExtended strand (participates in β ladder)trans-148.1159.2168.664.3173-178.6-113.33.2112.6D549 E600 I616 L617D549-R598 IonicContact OD1-CZ 3.6Å; D549-R598 IonicContact OD1-NH2 3.8Å; D549-R598 PolarHBondContact OD1-NH2 2.92Å; R598-E600 WeakPolarHBondContact CD-OE1 3.5Å; R598-E600 IonicContact CZ-OE1 2.93Å; R598-E600 IonicContact NE-OE1 3.69Å; R598-E600 PolarHBondContact NE-OE1 3.26Å; R598-E600 IonicContact NH2-OE1 3.73Å; R598-I616 CarbonylContact O-C 3.57Å; R598-I616 WeakPolarHBondContact O-CA 3.25Å; R598-L617 HydrophobicContact CG-CB 3.84Å; R598-L617 HydrophobicContact CG-CD1 3.86Å; R598-L617 HydrophobicContact CG-CG 4.42Å; R598-L617 PolarHBondContact N-O 3.37Å; R598-L617 PolarHBondContact O-N 2.69Å
599I92.7Very high78.7Confident12 Ų1267.2 Ų67.26%0.06234%0.338CS..EExtended strand (participates in β ladder)trans-117.3129.5175.7-59.1-175.4000109.5L557 W571 F614 T615 I616 F631L557-I599 HydrophobicContact CD2-CD1 4.33Å; W571-I599 HydrophobicContact CD2-CD1 3.71Å; W571-I599 HydrophobicContact CD2-CG2 4.35Å; W571-I599 HydrophobicContact CE3-CD1 3.72Å; W571-I599 HydrophobicContact CG-CB 4.3Å; W571-I599 HydrophobicContact CG-CD1 4.22Å; W571-I599 HydrophobicContact CG-CG2 4.06Å; W571-I599 HydrophobicContact CH2-CD1 4.33Å; W571-I599 HydrophobicContact CZ2-CD1 4.31Å; W571-I599 HydrophobicContact CZ3-CD1 4.03Å; I599-F614 HydrophobicContact CG2-CB 3.82Å; I599-F614 HydrophobicContact CG2-CD1 3.83Å; I599-F614 HydrophobicContact CG2-CG 4.16Å; I599-T615 CarbonylContact C-O 3.52Å; I599-T615 WeakPolarHBondContact CA-O 3.39Å; I599-I616 HydrophobicContact CD1-CG1 4.49Å; I599-I616 HydrophobicContact CG1-CG1 4.19Å; I599-I616 HydrophobicContact CG1-CG2 4.47Å; I599-F631 HydrophobicContact CD1-CB 3.81Å; I599-F631 HydrophobicContact CD1-CD1 4.04Å; I599-F631 HydrophobicContact CD1-CD2 3.79Å; I599-F631 HydrophobicContact CD1-CE2 4.36Å; I599-F631 HydrophobicContact CD1-CG 3.61Å; I599-F631 HydrophobicContact CG1-CD1 4.16Å; I599-F631 HydrophobicContact CG1-CD2 4.1Å; I599-F631 HydrophobicContact CG1-CE1 4.23Å; I599-F631 HydrophobicContact CG1-CE2 4.16Å; I599-F631 HydrophobicContact CG1-CG 4.1Å; I599-F631 HydrophobicContact CG1-CZ 4.22Å
600E90.8Very high80.9Confident77 Ų7760.7 Ų60.736%0.3631%0.312SS..EExtended strand (participates in β ladder)trans-125.2139-179.9-70.7-172.8-166.500113.4R598 T615 L617R598-E600 WeakPolarHBondContact CD-OE1 3.5Å; R598-E600 IonicContact CZ-OE1 2.93Å; R598-E600 IonicContact NE-OE1 3.69Å; R598-E600 PolarHBondContact NE-OE1 3.26Å; R598-E600 IonicContact NH2-OE1 3.73Å; E600-T615 PolarHBondContact N-O 3.14Å; E600-T615 PolarHBondContact O-N 3.21Å; E600-L617 HydrophobicContact CB-CD1 4.02Å; E600-L617 HydrophobicContact CG-CD1 3.79Å
601P95Very high83Confident62 Ų6259.2 Ų59.240%0.40332%0.318SS..SBendcis-67.8156.3-1331.7-35.6000111.2S603 K604 F614P601-S603 PolarHBondContact O-N 3.07Å; P601-K604 HydrophobicContact CG-CB 4.29Å; P601-K604 HydrophobicContact CG-CD 3.87Å; P601-K604 HydrophobicContact CG-CG 4.35Å; P601-F614 HydrophobicContact CG-CE1 4.43Å; P601-F614 WeakPolarHBondContact O-CD1 3.41Å; P601-F614 WeakPolarHBondContact O-CE1 3.45Å
602Q92.1Very high85.1Confident85 Ų8555.3 Ų55.340%0.39730%0.301SS..SBendtrans-63-27.8-179.3-175.2172.78.800113.4W571W571-Q602 HydrophobicContact CB-CG 4.47Å; W571-Q602 PolarHBondContact N-O 2.91Å; W571-Q602 WeakPolarHBondContact O-CG 3.48Å; W571-Q602 PolarHBondContact O-NE2 3.06Å
603S93.6Very high87.3Confident52 Ų5258.8 Ų58.836%0.36431%0.314SS..EExtended strand (participates in β ladder)trans-139.2143.6175.8-172.70000111.4I569 P601I569-S603 VanDerWaalsContact O-CA 3.24Å; I569-S603 WeakPolarHBondContact O-CA 3.26Å; I569-S603 WeakPolarHBondContact O-CB 3.17Å; I569-S603 PolarHBondContact O-OG 3.37Å; P601-S603 PolarHBondContact O-N 3.07Å
604K94.6Very high89.3Confident69 Ų6951.5 Ų51.530%0.328%0.282SS..EExtended strand (participates in β ladder)trans-152.3151.6179.5-153.3164.3171.2-178.60110.8I569 P601 T612 E613 F614I569-K604 PolarHBondContact N-O 3.21Å; I569-K604 PolarHBondContact O-N 2.93Å; P601-K604 HydrophobicContact CG-CB 4.29Å; P601-K604 HydrophobicContact CG-CD 3.87Å; P601-K604 HydrophobicContact CG-CG 4.35Å; K604-T612 HydrophobicContact CD-CG2 3.38Å; K604-T612 HydrophobicContact CG-CG2 3.93Å; K604-E613 PolarHBondContact NZ-O 3.09Å; K604-F614 HydrophobicContact CB-CE1 3.74Å; K604-F614 HydrophobicContact CB-CE2 4.3Å; K604-F614 HydrophobicContact CB-CZ 3.39Å; K604-F614 HydrophobicContact CD-CE1 4.43Å; K604-F614 HydrophobicContact CD-CZ 4.22Å; K604-F614 HydrophobicContact CG-CZ 4.42Å
605E94.2Very high91Very high92 Ų9251.6 Ų51.643%0.4329%0.285SS..EExtended strand (participates in β ladder)trans-84.2135.4173.6-172.8166.8157.600110.5V566 K638V566-E605 HydrophobicContact CG1-CG 3.52Å; V566-E605 WeakPolarHBondContact CG1-OE1 3.4Å; E605-K638 IonicContact OE1-NZ 2.78Å; E605-K638 PolarHBondContact OE1-NZ 2.55Å; E605-K638 IonicContact OE2-NZ 2.64Å; E605-K638 PolarHBondContact OE2-NZ 2.75Å
606L93.2Very high92.1Very high0 Ų049.3 Ų49.30%027%0.273CS..EExtended strand (participates in β ladder)trans-109.7107.9176.5-52.4177.9000108.1L510 I559 N561 L567 I569 T612 F614L510-L606 HydrophobicContact CD2-CD1 3.86Å; I559-L606 HydrophobicContact CB-CD2 4.47Å; I559-L606 HydrophobicContact CG2-CD1 3.99Å; N561-L606 HydrophobicContact CB-CB 4.02Å; N561-L606 PolarHBondContact ND2-O 2.61Å; L567-L606 HydrophobicContact CB-CB 4.23Å; L567-L606 HydrophobicContact CB-CD1 4.42Å; L567-L606 PolarHBondContact N-O 3.36Å; L567-L606 PolarHBondContact O-N 2.71Å; I569-L606 HydrophobicContact CB-CD1 4.09Å; I569-L606 HydrophobicContact CG2-CD1 4.09Å; I569-L606 HydrophobicContact CG2-CD2 4.23Å; I569-L606 HydrophobicContact CG2-CG 4.12Å; L606-T612 VanDerWaalsContact CD2-CB 3.42Å; L606-T612 HydrophobicContact CD2-CG2 3.96Å; L606-T612 WeakPolarHBondContact CD2-OG1 3.43Å; L606-F614 HydrophobicContact CD2-CE2 4.43Å
607A93.5Very high92.4Very high46 Ų4649 Ų4938%0.3827%0.27SS..  trans-67.7154.2177.100000110.8N561 S610N561-A607 PolarHBondContact ND2-O 3.01Å; A607-S610 VanDerWaalsContact C-OG 3.24Å; A607-S610 WeakPolarHBondContact CA-OG 3.37Å; A607-S610 WeakPolarHBondContact CB-OG 3.15Å; A607-S610 PolarHBondContact N-OG 3.43Å; A607-S610 PolarHBondContact O-N 3.36Å; A607-S610 PolarHBondContact O-OG 2.79Å
608P91.6Very high92.5Very high51 Ų5148.7 Ų48.733%0.33127%0.269SS..THydrogen-bonded Turntrans-58140.2177.5-19.629.2000111.5T563 V566 S610T563-P608 VanDerWaalsContact O-CA 3.31Å; T563-P608 WeakPolarHBondContact O-CA 3.28Å; T563-P608 WeakPolarHBondContact O-CB 3.45Å; V566-P608 HydrophobicContact CG2-CG 3.94Å; P608-S610 PolarHBondContact O-N 3.45Å; P608-S610 VanDerWaalsContact O-N 3.16Å
609N88.3Confident92.4Very high102 Ų10246.4 Ų46.455%0.54526%0.261SS..THydrogen-bonded Turntrans50.437.7177.6-57.9-46.7000113.5N561 C562 T563 N564N561-N609 CarbonylContact O-C 3.51Å; N561-N609 WeakPolarHBondContact O-CA 3.15Å; N561-N609 PolarHBondContact O-N 2.82Å; C562-N609 PolarHBondContact O-OD1 2.94Å; T563-N609 PolarHBondContact O-N 3.31Å; N564-N609 PolarHBondContact OD1-ND2 3.34Å
610S91Very high92.2Very high34 Ų3445.9 Ų45.924%0.23826%0.259CS..EExtended strand (participates in β ladder)trans-133.3161.4-176.678.50000111.9N561 A607 P608N561-S610 PolarHBondContact N-O 2.94Å; N561-S610 PolarHBondContact O-N 3.21Å; A607-S610 VanDerWaalsContact C-OG 3.24Å; A607-S610 WeakPolarHBondContact CA-OG 3.37Å; A607-S610 WeakPolarHBondContact CB-OG 3.15Å; A607-S610 PolarHBondContact N-OG 3.43Å; A607-S610 PolarHBondContact O-N 3.36Å; A607-S610 PolarHBondContact O-OG 2.79Å; P608-S610 PolarHBondContact O-N 3.45Å; P608-S610 VanDerWaalsContact O-N 3.16Å
611S89.9Confident91.8Very high82 Ų8242.3 Ų42.357%0.57324%0.243SC*.EExtended strand (participates in β ladder)trans-110.9143.1174.358.80000111.5I559I559-S611 CarbonylContact O-C 3.47Å; I559-S611 VanDerWaalsContact O-CA 3.28Å; I559-S611 WeakPolarHBondContact O-CA 3.25Å
612T91.6Very high91.3Very high20 Ų2042.8 Ų42.812%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-132.9139.2179.9-60.70000110.5I559 K604 L606 F614I559-T612 PolarHBondContact N-O 2.89Å; I559-T612 PolarHBondContact O-N 3.47Å; K604-T612 HydrophobicContact CD-CG2 3.38Å; K604-T612 HydrophobicContact CG-CG2 3.93Å; L606-T612 VanDerWaalsContact CD2-CB 3.42Å; L606-T612 HydrophobicContact CD2-CG2 3.96Å; L606-T612 WeakPolarHBondContact CD2-OG1 3.43Å; T612-F614 HydrophobicContact CG2-CE2 4.23Å
613E92.8Very high91.1Very high123 Ų12342.2 Ų42.258%0.57524%0.24SC*.EExtended strand (participates in β ladder)trans-95.6149.3177.767.2-172-176.500113.5T556 L557 K604T556-E613 HydrophobicContact CG2-CB 3.94Å; L557-E613 CarbonylContact O-C 3.53Å; L557-E613 WeakPolarHBondContact O-CA 3.29Å; K604-E613 PolarHBondContact NZ-O 3.09Å
614F95Very high90.8Very high1 Ų141.2 Ų41.20%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-131.7154.5168.6-69.2-98.7000108.9T556 L557 I559 I569 W571 I599 P601 K604 L606 T612T556-F614 CarbonylContact C-O 3.47Å; T556-F614 WeakPolarHBondContact CA-O 3.15Å; L557-F614 HydrophobicContact CB-CB 4.19Å; L557-F614 HydrophobicContact CD2-CB 4.44Å; L557-F614 PolarHBondContact N-O 2.92Å; L557-F614 PolarHBondContact O-N 2.98Å; I559-F614 HydrophobicContact CD1-CD2 3.61Å; I559-F614 HydrophobicContact CD1-CE2 3.37Å; I559-F614 HydrophobicContact CD1-CZ 4.26Å; I559-F614 HydrophobicContact CG1-CD2 3.9Å; I559-F614 HydrophobicContact CG1-CE2 3.97Å; I569-F614 HydrophobicContact CG2-CE1 4.27Å; I569-F614 HydrophobicContact CG2-CE2 3.9Å; I569-F614 HydrophobicContact CG2-CZ 3.32Å; W571-F614 AromaticContact CD1-CD1 3.83Å; W571-F614 AromaticContact CD1-CE1 3.64Å; W571-F614 AromaticContact NE1-CD1 3.49Å; W571-F614 AromaticContact NE1-CE1 3.41Å; W571-F614 AromaticContact NE1-CG 3.89Å; W571-F614 AromaticContact NE1-CZ 3.76Å; I599-F614 HydrophobicContact CG2-CB 3.82Å; I599-F614 HydrophobicContact CG2-CD1 3.83Å; I599-F614 HydrophobicContact CG2-CG 4.16Å; P601-F614 HydrophobicContact CG-CE1 4.43Å; P601-F614 WeakPolarHBondContact O-CD1 3.41Å; P601-F614 WeakPolarHBondContact O-CE1 3.45Å; K604-F614 HydrophobicContact CB-CE1 3.74Å; K604-F614 HydrophobicContact CB-CE2 4.3Å; K604-F614 HydrophobicContact CB-CZ 3.39Å; K604-F614 HydrophobicContact CD-CE1 4.43Å; K604-F614 HydrophobicContact CD-CZ 4.22Å; K604-F614 HydrophobicContact CG-CZ 4.42Å; L606-F614 HydrophobicContact CD2-CE2 4.43Å; T612-F614 HydrophobicContact CG2-CE2 4.23Å
615T94.2Very high90.4Very high54 Ų5441.7 Ų41.733%0.33124%0.236SC..EExtended strand (participates in β ladder)trans-107.1122.4175.4-53.80000109.7C554 N555 I599 E600 L617C554-T615 HydrophobicContact CB-CG2 3.91Å; N555-T615 CarbonylContact O-C 3.54Å; N555-T615 WeakPolarHBondContact O-CA 3.48Å; I599-T615 CarbonylContact C-O 3.52Å; I599-T615 WeakPolarHBondContact CA-O 3.39Å; E600-T615 PolarHBondContact N-O 3.14Å; E600-T615 PolarHBondContact O-N 3.21Å; T615-L617 HydrophobicContact CG2-CD1 4.21Å; T615-L617 HydrophobicContact CG2-CG 4.23Å
616I93.6Very high90.2Very high0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-93.3122.1170.7-48.2177.8000107.8W517 F519 C554 N555 L557 R598 I599 V659W517-I616 HydrophobicContact CD2-CD1 4.06Å; W517-I616 HydrophobicContact CG-CD1 4.03Å; W517-I616 HydrophobicContact CZ2-CD1 4.48Å; F519-I616 HydrophobicContact CE2-CG2 3.98Å; F519-I616 HydrophobicContact CZ-CB 3.93Å; F519-I616 HydrophobicContact CZ-CG2 3.56Å; C554-I616 CarbonylContact C-O 3.6Å; C554-I616 WeakPolarHBondContact CA-O 2.9Å; N555-I616 PolarHBondContact N-O 3.07Å; N555-I616 PolarHBondContact O-N 3.49Å; L557-I616 HydrophobicContact CB-CD1 3.95Å; L557-I616 HydrophobicContact CB-CG1 3.96Å; L557-I616 HydrophobicContact CD1-CD1 4.42Å; L557-I616 HydrophobicContact CD2-CD1 4.39Å; R598-I616 CarbonylContact O-C 3.57Å; R598-I616 WeakPolarHBondContact O-CA 3.25Å; I599-I616 HydrophobicContact CD1-CG1 4.49Å; I599-I616 HydrophobicContact CG1-CG1 4.19Å; I599-I616 HydrophobicContact CG1-CG2 4.47Å; I616-V659 HydrophobicContact CD1-CG1 3.92Å
617L92.4Very high90.1Very high5 Ų538.8 Ų38.83%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-107.1132.6179.4-59.8100.2000110.1D549 A552 I553 F597 R598 E600 T615D549-L617 WeakPolarHBondContact OD1-CD2 3.26Å; A552-L617 HydrophobicContact CB-CB 3.95Å; A552-L617 HydrophobicContact CB-CD2 3.87Å; A552-L617 HydrophobicContact CB-CG 4.42Å; I553-L617 CarbonylContact O-C 3.57Å; I553-L617 WeakPolarHBondContact O-CA 3.17Å; F597-L617 CarbonylContact C-O 3.54Å; F597-L617 VanDerWaalsContact CA-O 3.26Å; F597-L617 WeakPolarHBondContact CA-O 3.4Å; R598-L617 HydrophobicContact CG-CB 3.84Å; R598-L617 HydrophobicContact CG-CD1 3.86Å; R598-L617 HydrophobicContact CG-CG 4.42Å; R598-L617 PolarHBondContact N-O 3.37Å; R598-L617 PolarHBondContact O-N 2.69Å; E600-L617 HydrophobicContact CB-CD1 4.02Å; E600-L617 HydrophobicContact CG-CD1 3.79Å; T615-L617 HydrophobicContact CG2-CD1 4.21Å; T615-L617 HydrophobicContact CG2-CG 4.23Å
618F92.7Very high89.9Confident0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-114111172.5175.3-132.6000110.9F519 T520 A529 A552 I553 S596 F597 P620 Y627F519-F618 HydrophobicContact CB-CB 4.18Å; F519-F618 HydrophobicContact CB-CD1 3.47Å; F519-F618 VanDerWaalsContact CB-CD1 3.47Å; F519-F618 HydrophobicContact CB-CE1 4.01Å; F519-F618 HydrophobicContact CB-CG 3.96Å; F519-F618 HydrophobicContact CD1-CB 3.4Å; F519-F618 VanDerWaalsContact CD1-CB 3.4Å; F519-F618 HydrophobicContact CD1-CD1 4.16Å; F519-F618 HydrophobicContact CD1-CG 4.14Å; F519-F618 HydrophobicContact CD2-CB 4.34Å; F519-F618 HydrophobicContact CE1-CB 3.75Å; F519-F618 HydrophobicContact CG-CB 3.72Å; F519-F618 HydrophobicContact CG-CD1 4.01Å; F519-F618 HydrophobicContact CG-CG 4.04Å; F519-F618 HydrophobicContact CZ-CB 4.34Å; T520-F618 HydrophobicContact CG2-CE1 4.1Å; A529-F618 HydrophobicContact CB-CE1 3.99Å; A552-F618 WeakPolarHBondContact CA-O 3.3Å; I553-F618 HydrophobicContact CB-CB 4.35Å; I553-F618 HydrophobicContact CD1-CD1 4.11Å; I553-F618 HydrophobicContact CG1-CD1 4.49Å; I553-F618 PolarHBondContact N-O 2.95Å; I553-F618 PolarHBondContact O-N 2.88Å; S596-F618 CarbonylContact O-C 3.55Å; S596-F618 WeakPolarHBondContact O-CA 3.31Å; S596-F618 WeakPolarHBondContact O-CD2 3.42Å; F597-F618 HydrophobicContact CD1-CB 3.77Å; F597-F618 AromaticContact CD1-CD2 3.6Å; F597-F618 HydrophobicContact CD1-CD2 3.6Å; F597-F618 HydrophobicContact CD1-CG 4.01Å; F597-F618 HydrophobicContact CD2-CD2 4.35Å; F597-F618 HydrophobicContact CE1-CB 3.58Å; F597-F618 HydrophobicContact CE1-CD1 4.39Å; F597-F618 AromaticContact CE1-CD2 3.1Å; F597-F618 HydrophobicContact CE1-CD2 3.1Å; F597-F618 AromaticContact CE1-CE2 3.82Å; F597-F618 HydrophobicContact CE1-CE2 3.82Å; F597-F618 AromaticContact CE1-CG 3.44Å; F597-F618 HydrophobicContact CE1-CG 3.44Å; F597-F618 VanDerWaalsContact CE1-CG 3.44Å; F597-F618 AromaticContact CE2-CD2 3.97Å; F597-F618 HydrophobicContact CE2-CD2 3.97Å; F597-F618 HydrophobicContact CE2-CE2 4.02Å; F597-F618 HydrophobicContact CG-CD2 4.19Å; F597-F618 AromaticContact CZ-CD2 3.32Å; F597-F618 HydrophobicContact CZ-CD2 3.32Å; F597-F618 AromaticContact CZ-CE2 3.51Å; F597-F618 HydrophobicContact CZ-CE2 3.51Å; F597-F618 HydrophobicContact CZ-CG 4.01Å; F597-F618 HydrophobicContact CZ-CZ 4.31Å; F618-P620 HydrophobicContact CD1-CG 4.34Å; F618-P620 HydrophobicContact CE1-CB 4.11Å; F618-P620 HydrophobicContact CE1-CG 3.88Å; F618-P620 HydrophobicContact CE2-CB 3.89Å; F618-P620 HydrophobicContact CE2-CG 4.33Å; F618-P620 HydrophobicContact CZ-CB 3.59Å; F618-P620 HydrophobicContact CZ-CG 3.89Å; F618-P620 VanDerWaalsContact O-CD 3.29Å; F618-P620 WeakPolarHBondContact O-CD 3.5Å; F618-Y627 HydrophobicContact CE2-CD1 4.29Å; F618-Y627 HydrophobicContact CE2-CD2 4.1Å; F618-Y627 AromaticContact CE2-CG 3.84Å; F618-Y627 HydrophobicContact CE2-CG 3.84Å; F618-Y627 AromaticContact CZ-CD2 3.9Å; F618-Y627 HydrophobicContact CZ-CD2 3.9Å; F618-Y627 HydrophobicContact CZ-CE2 4.48Å; F618-Y627 HydrophobicContact CZ-CG 4.12Å
619T88.4Confident89.9Confident7 Ų737.1 Ų37.14%0.04320%0.201CC..  trans-115.680.8179.552.30000110.1L548 A552 N595 S596L548-T619 HydrophobicContact CB-CG2 4.49Å; L548-T619 HydrophobicContact CD2-CG2 4.12Å; L548-T619 WeakPolarHBondContact O-CG2 3.24Å; A552-T619 HydrophobicContact CB-CG2 3.5Å; N595-T619 PolarHBondContact O-OG1 2.95Å; S596-T619 WeakPolarHBondContact CA-O 3.21Å; S596-T619 PolarHBondContact O-N 3.01Å; S596-T619 PolarHBondContact O-OG1 3.1Å
620P88.9Confident90Very high1 Ų133 Ų331%0.00618%0.178CC..  trans-67.6133.5179.326.5-33.7000111.9A529 C532 V533 F618 Y627 T665A529-P620 HydrophobicContact CB-CG 4.33Å; C532-P620 HydrophobicContact CB-CG 4.13Å; V533-P620 HydrophobicContact CG2-CB 3.58Å; V533-P620 HydrophobicContact CG2-CG 3.68Å; V533-P620 WeakPolarHBondContact CG2-O 3.08Å; F618-P620 HydrophobicContact CD1-CG 4.34Å; F618-P620 HydrophobicContact CE1-CB 4.11Å; F618-P620 HydrophobicContact CE1-CG 3.88Å; F618-P620 HydrophobicContact CE2-CB 3.89Å; F618-P620 HydrophobicContact CE2-CG 4.33Å; F618-P620 HydrophobicContact CZ-CB 3.59Å; F618-P620 HydrophobicContact CZ-CG 3.89Å; F618-P620 VanDerWaalsContact O-CD 3.29Å; F618-P620 WeakPolarHBondContact O-CD 3.5Å; P620-Y627 HydrophobicContact CB-CE2 4.05Å; P620-T665 HydrophobicContact CB-CG2 3.7Å; P620-T665 HydrophobicContact CG-CG2 4.31Å
621A80.4Confident90Very high3 Ų331.7 Ų31.73%0.02517%0.169CC..  trans-97.1-38-175.900000113.8F536 Y627F536-A621 HydrophobicContact CD1-CB 4.41Å; F536-A621 HydrophobicContact CE1-CB 3.84Å; F536-A621 HydrophobicContact CZ-CB 4.32Å; A621-Y627 PolarHBondContact N-OH 2.88Å
622N86.1Confident90.1Very high72 Ų7227.8 Ų27.839%0.38514%0.141SC..SBendtrans-114.8147.7-172.4-59.1-37.8000112.4Q625 Y627 T665N622-Q625 HydrophobicContact CB-CB 4.49Å; N622-Q625 PolarHBondContact ND2-OE1 3.41Å; N622-Y627 WeakPolarHBondContact CA-OH 3.24Å; N622-Y627 PolarHBondContact N-OH 3.28Å; N622-Y627 PolarHBondContact O-OH 3.26Å; N622-T665 WeakPolarHBondContact O-CB 3.4Å; N622-T665 PolarHBondContact O-OG1 2.8Å
623M86.6Confident90.2Very high72 Ų7226.9 Ų26.936%0.35514%0.135SC..SBendtrans-78.5154.1170-69.7-66-86.900111.3L530 V533 Q625 T665 P667L530-M623 HydrophobicContact CD2-CE 3.73Å; L530-M623 HydrophobicContact CD2-SD 3.88Å; V533-M623 HydrophobicContact CB-SD 3.88Å; V533-M623 HydrophobicContact CG1-CG 3.58Å; V533-M623 HydrophobicContact CG1-SD 3.53Å; V533-M623 VanDerWaalsContact CG1-SD 3.53Å; V533-M623 HydrophobicContact CG2-SD 4.41Å; M623-Q625 PolarHBondContact O-N 2.93Å; M623-T665 WeakPolarHBondContact CA-OG1 3.45Å; M623-P667 HydrophobicContact CE-CG 4.44Å
624C87.5Confident90.2Very high31 Ų3121 Ų2121%0.20911%0.108CC..SBendtrans57.541174.6-58.50000114.4T665 F666 K670C624-T665 WeakPolarHBondContact CA-O 3.46Å; C624-T665 PolarHBondContact N-O 2.96Å; C624-T665 PolarHBondContact N-OG1 2.99Å; C624-T665 VanDerWaalsContact N-OG1 3.12Å; C624-F666 VanDerWaalsContact C-CZ 3.49Å; C624-F666 HydrophobicContact CB-CD1 4.02Å; C624-F666 HydrophobicContact CB-CE1 3.91Å; C624-F666 WeakPolarHBondContact O-CE1 3.4Å; C624-F666 WeakPolarHBondContact O-CZ 3.42Å; C624-K670 WeakPolarHBondContact SG-CD 3.42Å
625Q87.4Confident90.2Very high80 Ų8021 Ų2137%0.37411%0.108SC..  trans-131.6151.7-178.7-175.2170.6-6.600111.5N622 M623 Y627 H664 T665N622-Q625 HydrophobicContact CB-CB 4.49Å; N622-Q625 PolarHBondContact ND2-OE1 3.41Å; M623-Q625 PolarHBondContact O-N 2.93Å; Q625-Y627 HydrophobicContact CB-CE2 4.1Å; Q625-Y627 HydrophobicContact CG-CE2 4.43Å; Q625-H664 CarbonylContact O-C 3.56Å; Q625-H664 WeakPolarHBondContact O-CA 3.42Å; Q625-T665 PolarHBondContact N-OG1 2.95Å; Q625-T665 VanDerWaalsContact N-OG1 3.12Å; Q625-T665 PolarHBondContact O-N 2.94Å; Q625-T665 PolarHBondContact O-OG1 3.38Å
626Y90Very high90.2Very high15 Ų1519.5 Ų19.56%0.05910%0.097CC..EExtended strand (participates in β ladder)trans-91.4140.2166.5-71.6-70.9000110.9H664 F666 P672 P708 L710 L740 N784Y626-H664 HydrophobicContact CD1-CB 3.53Å; Y626-H664 HydrophobicContact CE1-CB 3.74Å; Y626-H664 HydrophobicContact CG-CB 4.42Å; Y626-F666 HydrophobicContact CD1-CE2 4.27Å; Y626-F666 AromaticContact CD2-CE2 3.67Å; Y626-F666 HydrophobicContact CD2-CE2 3.67Å; Y626-F666 HydrophobicContact CD2-CZ 4.22Å; Y626-F666 HydrophobicContact CE1-CD2 4.28Å; Y626-F666 HydrophobicContact CE1-CE2 4.05Å; Y626-F666 HydrophobicContact CE2-CD2 4.33Å; Y626-F666 AromaticContact CE2-CE2 3.45Å; Y626-F666 HydrophobicContact CE2-CE2 3.45Å; Y626-F666 VanDerWaalsContact CE2-CE2 3.45Å; Y626-F666 AromaticContact CE2-CZ 3.97Å; Y626-F666 HydrophobicContact CE2-CZ 3.97Å; Y626-F666 HydrophobicContact CG-CE2 4.07Å; Y626-F666 AromaticContact CZ-CE2 3.64Å; Y626-P672 WeakPolarHBondContact OH-CB 3.34Å; Y626-P708 HydrophobicContact CD2-CG 4.26Å; Y626-L710 HydrophobicContact CD1-CB 4.26Å; Y626-L710 HydrophobicContact CD1-CD2 4.05Å; Y626-L710 HydrophobicContact CE1-CB 3.94Å; Y626-L710 HydrophobicContact CE1-CD2 3.67Å; Y626-L710 HydrophobicContact CE1-CG 4.44Å; Y626-L740 HydrophobicContact CD1-CD1 4.48Å; Y626-L740 HydrophobicContact CD2-CD1 4.43Å; Y626-L740 HydrophobicContact CG-CD1 4.05Å; Y626-N784 VanDerWaalsContact OH-CA 3.27Å; Y626-N784 WeakPolarHBondContact OH-CA 3.48Å; Y626-N784 WeakPolarHBondContact OH-CB 3.32Å; Y626-N784 PolarHBondContact OH-O 2.87Å; Y626-N784 PolarHBondContact OH-OD1 3.05Å
627Y89.8Confident90.1Very high15 Ų1520 Ų206%0.05910%0.1CC..EExtended strand (participates in β ladder)trans-120.3138.1178.3-61.5-92.3000109.7S596 F618 P620 A621 N622 Q625 Y662 G663 T665S596-Y627 VanDerWaalsContact OG-CD1 3.32Å; S596-Y627 WeakPolarHBondContact OG-CD1 3.23Å; S596-Y627 VanDerWaalsContact OG-CE1 3.25Å; S596-Y627 WeakPolarHBondContact OG-CE1 3.48Å; F618-Y627 HydrophobicContact CE2-CD1 4.29Å; F618-Y627 HydrophobicContact CE2-CD2 4.1Å; F618-Y627 AromaticContact CE2-CG 3.84Å; F618-Y627 HydrophobicContact CE2-CG 3.84Å; F618-Y627 AromaticContact CZ-CD2 3.9Å; F618-Y627 HydrophobicContact CZ-CD2 3.9Å; F618-Y627 HydrophobicContact CZ-CE2 4.48Å; F618-Y627 HydrophobicContact CZ-CG 4.12Å; P620-Y627 HydrophobicContact CB-CE2 4.05Å; A621-Y627 PolarHBondContact N-OH 2.88Å; N622-Y627 WeakPolarHBondContact CA-OH 3.24Å; N622-Y627 PolarHBondContact N-OH 3.28Å; N622-Y627 PolarHBondContact O-OH 3.26Å; Q625-Y627 HydrophobicContact CB-CE2 4.1Å; Q625-Y627 HydrophobicContact CG-CE2 4.43Å; Y627-Y662 WeakPolarHBondContact O-CA 3.29Å; Y627-G663 PolarHBondContact N-O 3.01Å; Y627-G663 PolarHBondContact O-N 2.97Å; Y627-T665 HydrophobicContact CE2-CG2 3.7Å
628H90.5Very high90.1Very high52 Ų5222.9 Ų22.924%0.24111%0.112CC..EExtended strand (participates in β ladder)trans-150.2135.5175.1167.358.7000110.2N660 C661 Y662 L740H628-N660 PolarHBondContact CE1-OD1 3.04Å; H628-C661 VanDerWaalsContact CA-O 3.25Å; H628-C661 WeakPolarHBondContact CA-O 3.26Å; H628-C661 PolarHBondContact ND1-O 2.96Å; H628-Y662 HydrophobicContact CB-CD1 4.01Å; H628-Y662 HydrophobicContact CB-CE1 4.09Å; H628-Y662 AromaticContact CE1-CE1 3.77Å; H628-Y662 AromaticContact CE1-CZ 3.69Å; H628-Y662 PolarHBondContact CE1-OH 2.95Å; H628-Y662 AromaticContact CG-CE1 3.67Å; H628-Y662 AromaticContact ND1-CD1 3.62Å; H628-Y662 AromaticContact ND1-CE1 3.09Å; H628-Y662 WeakPolarHBondContact ND1-CE1 3.4Å; H628-Y662 AromaticContact ND1-CZ 3.39Å; H628-L740 HydrophobicContact CB-CB 4.39Å; H628-L740 HydrophobicContact CB-CD2 3.83Å
629Q89.9Confident90Very high10 Ų1025.7 Ų25.75%0.04713%0.127CC..EExtended strand (participates in β ladder)trans-143.3130172-179.366.961.500109.6S391 N574 F597 F631 C661S391-Q629 VanDerWaalsContact CB-NE2 3.33Å; S391-Q629 PolarHBondContact OG-NE2 2.91Å; N574-Q629 PolarHBondContact ND2-OE1 2.74Å; N574-Q629 PolarHBondContact OD1-NE2 2.97Å; N574-Q629 PolarHBondContact OD1-OE1 3.26Å; F597-Q629 HydrophobicContact CB-CB 4.02Å; F597-Q629 HydrophobicContact CB-CG 4.31Å; F597-Q629 HydrophobicContact CD2-CB 3.64Å; F597-Q629 HydrophobicContact CE2-CB 4.5Å; F597-Q629 HydrophobicContact CG-CB 4.18Å; Q629-F631 HydrophobicContact CB-CE2 4.21Å; Q629-F631 HydrophobicContact CB-CZ 4.46Å; Q629-F631 HydrophobicContact CG-CD1 4.4Å; Q629-F631 HydrophobicContact CG-CD2 4.1Å; Q629-F631 HydrophobicContact CG-CE1 3.98Å; Q629-F631 HydrophobicContact CG-CE2 3.65Å; Q629-F631 HydrophobicContact CG-CG 4.45Å; Q629-F631 HydrophobicContact CG-CZ 3.58Å; Q629-C661 PolarHBondContact N-O 2.91Å; Q629-C661 PolarHBondContact O-N 2.89Å
630E91.1Very high90.2Very high15 Ų1525.6 Ų25.67%0.0713%0.126CC..EExtended strand (participates in β ladder)trans-94.7128.3164.9-173.3-179.779.700109.1R427 L658 V659 N660R427-E630 IonicContact CZ-OE1 3.93Å; R427-E630 IonicContact NH2-OE1 3.26Å; R427-E630 PolarHBondContact NH2-OE1 2.87Å; R427-E630 IonicContact NH2-OE2 3.89Å; E630-L658 HydrophobicContact CG-CD2 4.38Å; E630-V659 WeakPolarHBondContact CA-O 3.35Å; E630-N660 WeakPolarHBondContact CB-OD1 3.48Å
631F91.5Very high90.3Very high8 Ų830.9 Ų30.94%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-104.9138.7171.7-67.8-79.3000110.8W571 F597 I599 Q629 L658 V659W571-F631 HydrophobicContact CE3-CB 3.81Å; W571-F631 HydrophobicContact CZ3-CB 3.91Å; F597-F631 HydrophobicContact CB-CE2 3.73Å; F597-F631 HydrophobicContact CB-CZ 3.63Å; I599-F631 HydrophobicContact CD1-CB 3.81Å; I599-F631 HydrophobicContact CD1-CD1 4.04Å; I599-F631 HydrophobicContact CD1-CD2 3.79Å; I599-F631 HydrophobicContact CD1-CE2 4.36Å; I599-F631 HydrophobicContact CD1-CG 3.61Å; I599-F631 HydrophobicContact CG1-CD1 4.16Å; I599-F631 HydrophobicContact CG1-CD2 4.1Å; I599-F631 HydrophobicContact CG1-CE1 4.23Å; I599-F631 HydrophobicContact CG1-CE2 4.16Å; I599-F631 HydrophobicContact CG1-CG 4.1Å; I599-F631 HydrophobicContact CG1-CZ 4.22Å; Q629-F631 HydrophobicContact CB-CE2 4.21Å; Q629-F631 HydrophobicContact CB-CZ 4.46Å; Q629-F631 HydrophobicContact CG-CD1 4.4Å; Q629-F631 HydrophobicContact CG-CD2 4.1Å; Q629-F631 HydrophobicContact CG-CE1 3.98Å; Q629-F631 HydrophobicContact CG-CE2 3.65Å; Q629-F631 HydrophobicContact CG-CG 4.45Å; Q629-F631 HydrophobicContact CG-CZ 3.58Å; F631-L658 WeakPolarHBondContact O-CA 3.47Å; F631-V659 HydrophobicContact CB-CB 4.32Å; F631-V659 PolarHBondContact N-O 2.93Å; F631-V659 PolarHBondContact O-N 3.1Å
632E92Very high90.7Very high0 Ų032.4 Ų32.40%015%0.153CC..EExtended strand (participates in β ladder)trans-109.1120.6171.4-72.9155.2-126.600110.5T392 R427 W571 T572 F634 L657 L658T392-E632 WeakPolarHBondContact CA-OE1 3.47Å; T392-E632 WeakPolarHBondContact CB-OE1 3.15Å; T392-E632 WeakPolarHBondContact CB-OE2 2.98Å; T392-E632 PolarHBondContact OG1-OE1 2.75Å; T392-E632 PolarHBondContact OG1-OE2 2.61Å; R427-E632 IonicContact CZ-OE1 3.75Å; R427-E632 IonicContact CZ-OE2 2.88Å; R427-E632 IonicContact NE-OE2 2.83Å; R427-E632 IonicContact NH1-OE1 3.86Å; R427-E632 PolarHBondContact NH1-OE1 3.21Å; R427-E632 IonicContact NH1-OE2 2.77Å; R427-E632 PolarHBondContact NH1-OE2 3.2Å; R427-E632 IonicContact NH2-OE1 3.61Å; W571-E632 WeakPolarHBondContact CA-O 3.45Å; W571-E632 VanDerWaalsContact CE3-C 3.47Å; T572-E632 HydrophobicContact CG2-CB 4Å; T572-E632 PolarHBondContact N-O 2.79Å; T572-E632 PolarHBondContact OG1-N 2.77Å; T572-E632 PolarHBondContact OG1-O 2.72Å; E632-F634 HydrophobicContact CB-CD2 4.37Å; E632-F634 HydrophobicContact CB-CE2 3.76Å; E632-F634 HydrophobicContact CB-CZ 4.29Å; E632-F634 WeakPolarHBondContact OE2-CZ 3.33Å; E632-L657 WeakPolarHBondContact CA-O 3.1Å; E632-L658 HydrophobicContact CG-CD2 3.59Å
633G92.7Very high90.6Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-103.6110.2173.500000110.1H570 W571 C656 L657H570-G633 WeakPolarHBondContact O-CA 3.11Å; W571-G633 VanDerWaalsContact CE3-N 3.28Å; G633-C656 WeakPolarHBondContact O-CA 3.47Å; G633-L657 PolarHBondContact N-O 3.18Å; G633-L657 PolarHBondContact O-N 3Å
634F93.9Very high90.7Very high0 Ų033.8 Ų33.80%017%0.169CC..EExtended strand (participates in β ladder)trans-92104.1176.3-68.5-82.8000110.3V393 F394 F425 Y426 R427 I569 H570 T572 E632 M636 Y655 C656V393-F634 HydrophobicContact CB-CE2 4.05Å; V393-F634 HydrophobicContact CB-CZ 4.2Å; V393-F634 HydrophobicContact CG2-CD2 4.18Å; V393-F634 HydrophobicContact CG2-CE2 3.65Å; V393-F634 HydrophobicContact CG2-CZ 4.3Å; F394-F634 HydrophobicContact CD2-CZ 4.35Å; F394-F634 HydrophobicContact CE2-CE1 4.19Å; F394-F634 HydrophobicContact CE2-CZ 4.28Å; F425-F634 HydrophobicContact CB-CD1 4.44Å; F425-F634 HydrophobicContact CB-CE1 4.38Å; F425-F634 HydrophobicContact CD1-CB 4.12Å; F425-F634 AromaticContact CD1-CD1 3.73Å; F425-F634 HydrophobicContact CD1-CD1 3.73Å; F425-F634 AromaticContact CD1-CD2 3.79Å; F425-F634 HydrophobicContact CD1-CD2 3.79Å; F425-F634 HydrophobicContact CD1-CE1 4.04Å; F425-F634 HydrophobicContact CD1-CE2 4.09Å; F425-F634 AromaticContact CD1-CG 3.58Å; F425-F634 HydrophobicContact CD1-CG 3.58Å; F425-F634 HydrophobicContact CD1-CZ 4.21Å; F425-F634 HydrophobicContact CE1-CB 4.19Å; F425-F634 AromaticContact CE1-CD2 3.95Å; F425-F634 HydrophobicContact CE1-CD2 3.95Å; F425-F634 AromaticContact CE1-CG 3.97Å; F425-F634 HydrophobicContact CE1-CG 3.97Å; Y426-F634 WeakPolarHBondContact O-CE1 3.41Å; R427-F634 HydrophobicContact CB-CE1 4.38Å; I569-F634 WeakPolarHBondContact CA-O 3.39Å; H570-F634 PolarHBondContact N-O 2.99Å; H570-F634 PolarHBondContact O-N 3.11Å; T572-F634 HydrophobicContact CG2-CD2 4.19Å; T572-F634 HydrophobicContact CG2-CE2 3.87Å; E632-F634 HydrophobicContact CB-CD2 4.37Å; E632-F634 HydrophobicContact CB-CE2 3.76Å; E632-F634 HydrophobicContact CB-CZ 4.29Å; E632-F634 WeakPolarHBondContact OE2-CZ 3.33Å; F634-M636 PolarHBondContact O-N 2.86Å; F634-Y655 CarbonylContact C-O 3.57Å; F634-Y655 WeakPolarHBondContact CA-O 3.48Å; F634-C656 HydrophobicContact CD1-CB 4.25Å; F634-C656 HydrophobicContact CE1-CB 4.07Å
635A93.8Very high90.7Very high0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-88.8102.1176.900000110.3L510 L567 I569 P654 Y655L510-A635 HydrophobicContact CD1-CB 4.29Å; L510-A635 HydrophobicContact CD2-CB 3.87Å; L567-A635 HydrophobicContact CD1-CB 4.36Å; I569-A635 HydrophobicContact CB-CB 4.23Å; I569-A635 HydrophobicContact CD1-CB 4.48Å; I569-A635 HydrophobicContact CG1-CB 4.22Å; A635-P654 WeakPolarHBondContact O-CA 3.46Å; A635-P654 WeakPolarHBondContact O-CB 3.26Å; A635-Y655 PolarHBondContact N-O 2.75Å; A635-Y655 PolarHBondContact O-N 3.24Å
636M94.2Very high90.8Very high23 Ų2334 Ų3411%0.11317%0.17CC..EExtended strand (participates in β ladder)trans-101.8144.2-174-58.5175.2-75.100111.2H424 L567 I568 H570 F634 K638 P654H424-M636 VanDerWaalsContact O-CG 3.32Å; H424-M636 WeakPolarHBondContact O-CG 2.69Å; H424-M636 VanDerWaalsContact O-SD 3.35Å; L567-M636 CarbonylContact C-O 3.51Å; L567-M636 VanDerWaalsContact CA-O 3.22Å; L567-M636 WeakPolarHBondContact CA-O 3.41Å; I568-M636 PolarHBondContact N-O 2.95Å; I568-M636 PolarHBondContact O-N 3.49Å; H570-M636 HydrophobicContact CB-CE 4.27Å; F634-M636 PolarHBondContact O-N 2.86Å; M636-K638 PolarHBondContact O-N 2.92Å; M636-P654 HydrophobicContact CG-CB 4.07Å
637Y92.9Very high90.7Very high12 Ų1235.9 Ų35.95%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-71.7121177.1-71.1-89.5000111.6H565 L567 N639 Q640 K652 Y655H565-Y637 HydrophobicContact CB-CD1 3.66Å; H565-Y637 HydrophobicContact CB-CE1 3.77Å; H565-Y637 AromaticContact CD2-CE1 3.72Å; H565-Y637 AromaticContact CG-CE1 3.99Å; L567-Y637 HydrophobicContact CD2-CD1 3.35Å; L567-Y637 HydrophobicContact CD2-CD2 4.15Å; L567-Y637 HydrophobicContact CD2-CE1 3.63Å; L567-Y637 HydrophobicContact CD2-CE2 4.37Å; L567-Y637 HydrophobicContact CD2-CG 3.63Å; Y637-N639 PolarHBondContact O-N 2.92Å; Y637-Q640 HydrophobicContact CG-CG 4.42Å; Y637-Q640 VanDerWaalsContact CG-NE2 3.29Å; Y637-Q640 PolarHBondContact O-N 2.91Å; Y637-K652 HydrophobicContact CD2-CB 4.21Å; Y637-K652 HydrophobicContact CE1-CD 4.42Å; Y637-K652 HydrophobicContact CE2-CB 3.64Å; Y637-K652 HydrophobicContact CE2-CD 4.48Å; Y637-Y655 HydrophobicContact CE2-CE2 4.1Å; Y637-Y655 AromaticContact CZ-CE2 3.93Å; Y637-Y655 WeakPolarHBondContact OH-CE2 3.35Å; Y637-Y655 PolarHBondContact OH-OH 2.58Å
638K91.8Very high90.5Very high65 Ų6537.6 Ų37.628%0.28320%0.2SC..G310 helixtrans-61.2-29.8-176.9-175.3170.5177.8176.40113.2V566 I568 E605 M636 Q640 R641V566-K638 HydrophobicContact CB-CB 4.2Å; V566-K638 HydrophobicContact CB-CD 4.35Å; V566-K638 HydrophobicContact CG1-CB 4.05Å; V566-K638 HydrophobicContact CG1-CD 3.65Å; V566-K638 WeakPolarHBondContact O-CB 3.21Å; V566-K638 PolarHBondContact O-N 3.06Å; I568-K638 HydrophobicContact CD1-CB 4.1Å; I568-K638 HydrophobicContact CD1-CD 4.06Å; I568-K638 HydrophobicContact CD1-CG 3.81Å; I568-K638 HydrophobicContact CG1-CB 4.19Å; I568-K638 HydrophobicContact CG1-CD 4.31Å; I568-K638 HydrophobicContact CG1-CG 4.31Å; E605-K638 IonicContact OE1-NZ 2.78Å; E605-K638 PolarHBondContact OE1-NZ 2.55Å; E605-K638 IonicContact OE2-NZ 2.64Å; E605-K638 PolarHBondContact OE2-NZ 2.75Å; M636-K638 PolarHBondContact O-N 2.92Å; K638-Q640 VanDerWaalsContact C-N 3.27Å; K638-Q640 PolarHBondContact O-N 3.45Å; K638-R641 WeakPolarHBondContact O-CD 3.27Å; K638-R641 VanDerWaalsContact O-CG 3.29Å; K638-R641 WeakPolarHBondContact O-CG 3.38Å
639N90.8Very high90.2Very high58 Ų5842.3 Ų42.331%0.3122%0.222SC..G310 helixtrans-82.12.3176.169.6-20000114.1Y637 L645Y637-N639 PolarHBondContact O-N 2.92Å; N639-L645 WeakPolarHBondContact O-CB 3.21Å
640Q93Very high89.9Confident6 Ų649.1 Ų49.13%0.02825%0.251CS..G310 helixtrans-110.66.9176.4-55.9-17624.500112.8H424 P454 Y637 K638 D642 I646 K652H424-Q640 PolarHBondContact CE1-OE1 3.5Å; H424-Q640 PolarHBondContact ND1-OE1 2.93Å; H424-Q640 VanDerWaalsContact ND1-OE1 3.13Å; P454-Q640 WeakPolarHBondContact CB-O 3.26Å; Y637-Q640 HydrophobicContact CG-CG 4.42Å; Y637-Q640 VanDerWaalsContact CG-NE2 3.29Å; Y637-Q640 PolarHBondContact O-N 2.91Å; K638-Q640 VanDerWaalsContact C-N 3.27Å; K638-Q640 PolarHBondContact O-N 3.45Å; Q640-D642 PolarHBondContact O-N 2.82Å; Q640-I646 HydrophobicContact CB-CG2 4.39Å; Q640-I646 HydrophobicContact CG-CD1 4.19Å; Q640-I646 HydrophobicContact CG-CG2 4.14Å; Q640-K652 VanDerWaalsContact NE2-N 3.15Å; Q640-K652 PolarHBondContact NE2-O 2.89Å; Q640-K652 PolarHBondContact OE1-O 2.83Å
641R90.3Very high89.7Confident111 Ų11148.7 Ų48.742%0.41925%0.249SC..SBendtrans-68.1-15.7-177.667.8-175.4178.4154.5-0.1114.8E452 R453 P454 K638 L645E452-R641 CarbonylContact C-O 3.57Å; E452-R641 WeakPolarHBondContact CA-O 3.46Å; E452-R641 WeakPolarHBondContact CB-O 3.29Å; E452-R641 WeakPolarHBondContact OE1-CD 3.45Å; E452-R641 IonicContact OE1-NH1 3.61Å; R453-R641 PolarHBondContact N-O 3.43Å; P454-R641 WeakPolarHBondContact CD-O 3.39Å; K638-R641 WeakPolarHBondContact O-CD 3.27Å; K638-R641 VanDerWaalsContact O-CG 3.29Å; K638-R641 WeakPolarHBondContact O-CG 3.38Å; R641-L645 HydrophobicContact CG-CD1 3.64Å
642D89.2Confident89.5Confident35 Ų3552.1 Ų52.119%0.18726%0.264CS..SBendtrans-146146-179.2-166.954.5000109.8R453 Q640 S644 L645R453-D642 PolarHBondContact N-OD1 2.51Å; Q640-D642 PolarHBondContact O-N 2.82Å; D642-S644 PolarHBondContact O-N 2.87Å; D642-S644 WeakPolarHBondContact OD2-CB 3.32Å; D642-S644 PolarHBondContact OD2-OG 2.94Å; D642-L645 HydrophobicContact CB-CD1 4.13Å; D642-L645 HydrophobicContact CB-CG 4.26Å; D642-L645 PolarHBondContact O-N 3.26Å
643D84Confident89.4Confident82 Ų8252.5 Ų52.544%0.43927%0.267SS..THydrogen-bonded Turntrans-66.2-20.6-178624.5000113.5R453 L645R453-D643 PolarHBondContact O-N 3.34Å; D643-L645 VanDerWaalsContact C-N 3.3Å; D643-L645 PolarHBondContact O-N 2.94Å
644S87.4Confident89.3Confident91 Ų9152.6 Ų52.664%0.63627%0.268SS*.THydrogen-bonded Turntrans-71.1-19.7175.168.40000114.5D642D642-S644 PolarHBondContact O-N 2.87Å; D642-S644 WeakPolarHBondContact OD2-CB 3.32Å; D642-S644 PolarHBondContact OD2-OG 2.94Å
645L89.1Confident89.1Confident86 Ų8655.3 Ų55.345%0.4528%0.278SS..SBendtrans-90.6-23-170-63174.4000114.1N639 R641 D642 D643N639-L645 WeakPolarHBondContact O-CB 3.21Å; R641-L645 HydrophobicContact CG-CD1 3.64Å; D642-L645 HydrophobicContact CB-CD1 4.13Å; D642-L645 HydrophobicContact CB-CG 4.26Å; D642-L645 PolarHBondContact O-N 3.26Å; D643-L645 VanDerWaalsContact C-N 3.3Å; D643-L645 PolarHBondContact O-N 2.94Å
646I88.8Confident89Confident30 Ų3057 Ų5715%0.15429%0.29CS..SBendtrans-152.8140.5-174.9-164166.9000111.2H455 Q640 K650 I651H455-I646 PolarHBondContact CD2-O 2.84Å; H455-I646 PolarHBondContact NE2-O 2.83Å; H455-I646 VanDerWaalsContact NE2-O 3.15Å; Q640-I646 HydrophobicContact CB-CG2 4.39Å; Q640-I646 HydrophobicContact CG-CD1 4.19Å; Q640-I646 HydrophobicContact CG-CG2 4.14Å; I646-K650 HydrophobicContact CD1-CB 4Å; I646-K650 HydrophobicContact CG1-CB 3.97Å; I646-I651 HydrophobicContact CG2-CG1 4.44Å
647S88.6Confident88.8Confident54 Ų5456.8 Ų56.838%0.37829%0.289SS..  trans-65.2141.917359.90000111.7E649 K650S647-E649 PolarHBondContact O-N 2.82Å; S647-K650 PolarHBondContact O-N 2.86Å; S647-K650 WeakPolarHBondContact OG-CD 3.33Å; S647-K650 WeakPolarHBondContact OG-CG 3.49Å
648S84.7Confident88.7Confident51 Ų5157.2 Ų57.236%0.35729%0.292SS..G310 helixtrans-50.7-31.2-18076.70000115.7H455 H461 K650 I651H455-S648 PolarHBondContact NE2-N 2.82Å; H461-S648 PolarHBondContact NE2-O 2.8Å; S648-K650 VanDerWaalsContact C-N 3.33Å; S648-K650 PolarHBondContact O-N 2.8Å; S648-I651 WeakPolarHBondContact O-CD1 3.23Å; S648-I651 WeakPolarHBondContact O-CG1 3.44Å
649E83.7Confident88.6Confident152 Ų15254.1 Ų54.171%0.7128%0.278SS*.G310 helixtrans-73.6-21.3-179.1-60.6-178.8173.700114.3S647S647-E649 PolarHBondContact O-N 2.82Å
650K84.2Confident88.7Confident152 Ų15252.4 Ų52.466%0.66127%0.269SS*.G310 helixtrans-99.95.7-175.5-65.6-177.3-177.9179.80113.2I646 S647 S648I646-K650 HydrophobicContact CD1-CB 4Å; I646-K650 HydrophobicContact CG1-CB 3.97Å; S647-K650 PolarHBondContact O-N 2.86Å; S647-K650 WeakPolarHBondContact OG-CD 3.33Å; S647-K650 WeakPolarHBondContact OG-CG 3.49Å; S648-K650 VanDerWaalsContact C-N 3.33Å; S648-K650 PolarHBondContact O-N 2.8Å
651I88.3Confident88.7Confident6 Ų652.1 Ų52.13%0.03127%0.268CS..  trans-63.5136.2176.7-66.1169.7000109.4H455 L457 I646 S648H455-I651 HydrophobicContact CB-CD1 3.23Å; H455-I651 HydrophobicContact CB-CG1 4.4Å; L457-I651 HydrophobicContact CD1-CG2 3.93Å; I646-I651 HydrophobicContact CG2-CG1 4.44Å; S648-I651 WeakPolarHBondContact O-CD1 3.23Å; S648-I651 WeakPolarHBondContact O-CG1 3.44Å
652K86.2Confident88.8Confident80 Ų8047.4 Ų47.435%0.34825%0.25SS..  trans-114.9133.8172.6-62.8178.6-178.7176.80108.7I465 Y637 Q640I465-K652 HydrophobicContact CD1-CB 4.07Å; I465-K652 HydrophobicContact CD1-CG 4.2Å; Y637-K652 HydrophobicContact CD2-CB 4.21Å; Y637-K652 HydrophobicContact CE1-CD 4.42Å; Y637-K652 HydrophobicContact CE2-CB 3.64Å; Y637-K652 HydrophobicContact CE2-CD 4.48Å; Q640-K652 VanDerWaalsContact NE2-N 3.15Å; Q640-K652 PolarHBondContact NE2-O 2.89Å; Q640-K652 PolarHBondContact OE1-O 2.83Å
653P89.5Confident88.9Confident8 Ų846 Ų465%0.05224%0.243CC..PPolyproline II helixtrans-53.8144.9171.8-22.534000111.6Y426 L457 H461 L462 I465Y426-P653 HydrophobicContact CD1-CB 4.33Å; Y426-P653 HydrophobicContact CG-CB 4.18Å; L457-P653 HydrophobicContact CD1-CB 4.38Å; L457-P653 HydrophobicContact CD1-CG 4.32Å; H461-P653 HydrophobicContact CB-CG 4.28Å; L462-P653 HydrophobicContact CB-CG 4.18Å; L462-P653 HydrophobicContact CD1-CG 4.34Å; I465-P653 HydrophobicContact CD1-CG 4.36Å
654P91Very high89.3Confident3 Ų342.8 Ų42.82%0.01923%0.226CC..PPolyproline II helixtrans-70.4165.3173.635.5-39.6000110.2H424 Y426 A635 M636H424-P654 HydrophobicContact CB-CG 4.03Å; H424-P654 WeakPolarHBondContact O-CG 3.48Å; Y426-P654 WeakPolarHBondContact CD1-O 3.16Å; A635-P654 WeakPolarHBondContact O-CA 3.46Å; A635-P654 WeakPolarHBondContact O-CB 3.26Å; M636-P654 HydrophobicContact CG-CB 4.07Å
655Y89.5Confident89.4Confident57 Ų5738.4 Ų38.422%0.22420%0.195CC..EExtended strand (participates in β ladder)trans-95.9140.8173.4-58.6-94.5000110.2L509 L510 T563 F634 A635 Y637L509-Y655 HydrophobicContact CB-CE1 4.12Å; L509-Y655 HydrophobicContact CD1-CE1 4.49Å; L509-Y655 WeakPolarHBondContact CD1-OH 3.26Å; L510-Y655 HydrophobicContact CD1-CD1 4.03Å; L510-Y655 HydrophobicContact CD1-CD2 3.12Å; L510-Y655 HydrophobicContact CD1-CE1 4.45Å; L510-Y655 HydrophobicContact CD1-CE2 3.62Å; L510-Y655 HydrophobicContact CD1-CG 3.36Å; T563-Y655 HydrophobicContact CG2-CE2 4.35Å; F634-Y655 CarbonylContact C-O 3.57Å; F634-Y655 WeakPolarHBondContact CA-O 3.48Å; A635-Y655 PolarHBondContact N-O 2.75Å; A635-Y655 PolarHBondContact O-N 3.24Å; Y637-Y655 HydrophobicContact CE2-CE2 4.1Å; Y637-Y655 AromaticContact CZ-CE2 3.93Å; Y637-Y655 WeakPolarHBondContact OH-CE2 3.35Å; Y637-Y655 PolarHBondContact OH-OH 2.58Å
656C91.1Very high89.4Confident35 Ų3534.8 Ų34.824%0.23618%0.176CC..EExtended strand (participates in β ladder)trans-109.2117.5171.8-178.80000108.6Y426 G633 F634Y426-C656 VanDerWaalsContact O-CB 3.31Å; Y426-C656 WeakPolarHBondContact O-CB 3.21Å; G633-C656 WeakPolarHBondContact O-CA 3.47Å; F634-C656 HydrophobicContact CD1-CB 4.25Å; F634-C656 HydrophobicContact CE1-CB 4.07Å
657L90.4Very high89.1Confident19 Ų1934.3 Ų34.310%0.09918%0.175CC..EExtended strand (participates in β ladder)trans-99.9134.1176.2-59.2-178.7000109L510 L512 I559 I569 W571 E632 G633L510-L657 HydrophobicContact CB-CD2 4.19Å; L510-L657 HydrophobicContact CD2-CD1 4.05Å; L512-L657 HydrophobicContact CD1-CB 4.07Å; L512-L657 HydrophobicContact CD2-CD1 3.8Å; L512-L657 HydrophobicContact CG-CB 4.48Å; L512-L657 HydrophobicContact CG-CD1 4.17Å; L512-L657 HydrophobicContact CG-CD2 4.43Å; I559-L657 HydrophobicContact CD1-CD1 4.28Å; I559-L657 HydrophobicContact CG2-CD1 3.82Å; I569-L657 HydrophobicContact CD1-CD1 3.71Å; W571-L657 HydrophobicContact CH2-CB 4.33Å; E632-L657 WeakPolarHBondContact CA-O 3.1Å; G633-L657 PolarHBondContact N-O 3.18Å; G633-L657 PolarHBondContact O-N 3Å
658L91Very high88.4Confident21 Ų2136.3 Ų36.311%0.1119%0.189CC..EExtended strand (participates in β ladder)trans-110.3129.7178.8-62.1176.8000110.2R427 M497 E630 F631 E632R427-L658 VanDerWaalsContact NH2-CD2 3.29Å; M497-L658 HydrophobicContact CE-CD1 3.89Å; E630-L658 HydrophobicContact CG-CD2 4.38Å; F631-L658 WeakPolarHBondContact O-CA 3.47Å; E632-L658 HydrophobicContact CG-CD2 3.59Å
659V90.7Very high88Confident0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-127.1114.5175.2178.10000109.1L512 T515 L557 W571 I616 E630 F631L512-V659 HydrophobicContact CD1-CG2 3.71Å; T515-V659 CarbonylContact O-C 3.47Å; T515-V659 WeakPolarHBondContact O-CA 3.24Å; L557-V659 HydrophobicContact CD1-CG2 4.09Å; L557-V659 HydrophobicContact CD2-CG2 4.01Å; W571-V659 HydrophobicContact CH2-CB 4.43Å; W571-V659 HydrophobicContact CH2-CG2 3.56Å; W571-V659 HydrophobicContact CZ3-CB 4.36Å; W571-V659 HydrophobicContact CZ3-CG2 3.93Å; I616-V659 HydrophobicContact CD1-CG1 3.92Å; E630-V659 WeakPolarHBondContact CA-O 3.35Å; F631-V659 HydrophobicContact CB-CB 4.32Å; F631-V659 PolarHBondContact N-O 2.93Å; F631-V659 PolarHBondContact O-N 3.1Å
660N91.8Very high87.7Confident21 Ų2138.8 Ų38.811%0.11220%0.197CC..EExtended strand (participates in β ladder)trans-100.9114.2-179.7-78.8-76.8000110.2T515 I516 W517 H628 E630 Y662T515-N660 PolarHBondContact O-N 2.71Å; I516-N660 CarbonylContact C-O 3.43Å; I516-N660 WeakPolarHBondContact CA-O 3.45Å; I516-N660 HydrophobicContact CG1-CB 4.48Å; W517-N660 PolarHBondContact N-O 3.12Å; H628-N660 PolarHBondContact CE1-OD1 3.04Å; E630-N660 WeakPolarHBondContact CB-OD1 3.48Å; N660-Y662 HydrophobicContact CB-CE2 3.79Å
661C93.3Very high87.1Confident0 Ų036.4 Ų36.40%019%0.188CC..EExtended strand (participates in β ladder)trans-103.1137.1178.5-60.80000110.3W517 F519 F597 H628 Q629W517-C661 CarbonylContact O-C 3.56Å; W517-C661 WeakPolarHBondContact O-CA 3.44Å; F519-C661 HydrophobicContact CE2-CB 4.22Å; F597-C661 HydrophobicContact CD1-CB 3.67Å; F597-C661 HydrophobicContact CD2-CB 4.15Å; F597-C661 HydrophobicContact CE1-CB 3.71Å; F597-C661 HydrophobicContact CE2-CB 4.16Å; F597-C661 HydrophobicContact CG-CB 3.91Å; F597-C661 HydrophobicContact CZ-CB 3.96Å; H628-C661 VanDerWaalsContact CA-O 3.25Å; H628-C661 WeakPolarHBondContact CA-O 3.26Å; H628-C661 PolarHBondContact ND1-O 2.96Å; Q629-C661 PolarHBondContact N-O 2.91Å; Q629-C661 PolarHBondContact O-N 2.89Å
662Y93.2Very high86.6Confident13 Ų1336.4 Ų36.45%0.05119%0.189CC..EExtended strand (participates in β ladder)trans-132.2152178.7-61.9-86.7000110.6I516 W517 F519 Y627 H628 N660 L710 I738 L740I516-Y662 HydrophobicContact CG2-CD2 4.24Å; I516-Y662 HydrophobicContact CG2-CE2 4.22Å; W517-Y662 PolarHBondContact O-N 2.73Å; F519-Y662 PolarHBondContact N-O 3Å; Y627-Y662 WeakPolarHBondContact O-CA 3.29Å; H628-Y662 HydrophobicContact CB-CD1 4.01Å; H628-Y662 HydrophobicContact CB-CE1 4.09Å; H628-Y662 AromaticContact CE1-CE1 3.77Å; H628-Y662 AromaticContact CE1-CZ 3.69Å; H628-Y662 PolarHBondContact CE1-OH 2.95Å; H628-Y662 AromaticContact CG-CE1 3.67Å; H628-Y662 AromaticContact ND1-CD1 3.62Å; H628-Y662 AromaticContact ND1-CE1 3.09Å; H628-Y662 WeakPolarHBondContact ND1-CE1 3.4Å; H628-Y662 AromaticContact ND1-CZ 3.39Å; N660-Y662 HydrophobicContact CB-CE2 3.79Å; Y662-L710 HydrophobicContact CD1-CD1 4.33Å; Y662-I738 HydrophobicContact CD2-CD1 4.33Å; Y662-I738 HydrophobicContact CD2-CG2 3.87Å; Y662-I738 HydrophobicContact CE2-CG2 3.59Å; Y662-I738 HydrophobicContact CG-CD1 4.22Å; Y662-I738 PolarHBondContact OH-O 3.18Å; Y662-L740 HydrophobicContact CE1-CB 4.21Å
663G91.3Very high86.4Confident4 Ų435.7 Ų35.74%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-171.1165.6171.800000111.6T520 Y627T520-G663 WeakPolarHBondContact OG1-CA 3.26Å; Y627-G663 PolarHBondContact N-O 3.01Å; Y627-G663 PolarHBondContact O-N 2.97Å
664H91.4Very high86.2Confident15 Ų1540 Ų407%0.06921%0.212CC..EExtended strand (participates in β ladder)trans-150154.7174.370.572.1000113.9T520 L526 Q625 Y626 F666T520-H664 WeakPolarHBondContact CG2-O 3.4Å; T520-H664 PolarHBondContact OG1-CD2 3.26Å; T520-H664 PolarHBondContact OG1-N 2.83Å; T520-H664 PolarHBondContact OG1-NE2 3.12Å; L526-H664 WeakPolarHBondContact CD1-O 3.43Å; Q625-H664 CarbonylContact O-C 3.56Å; Q625-H664 WeakPolarHBondContact O-CA 3.42Å; Y626-H664 HydrophobicContact CD1-CB 3.53Å; Y626-H664 HydrophobicContact CE1-CB 3.74Å; Y626-H664 HydrophobicContact CG-CB 4.42Å; H664-F666 HydrophobicContact CB-CD2 3.98Å; H664-F666 HydrophobicContact CB-CE2 4.46Å
665T90.5Very high85.9Confident0 Ų040.9 Ų40.90%022%0.218CC..  trans-118.130.6-176.553.90000112.6L530 V533 P620 N622 M623 C624 Q625 Y627 P667L530-T665 WeakPolarHBondContact CD2-O 3.11Å; V533-T665 HydrophobicContact CG2-CG2 3.56Å; P620-T665 HydrophobicContact CB-CG2 3.7Å; P620-T665 HydrophobicContact CG-CG2 4.31Å; N622-T665 WeakPolarHBondContact O-CB 3.4Å; N622-T665 PolarHBondContact O-OG1 2.8Å; M623-T665 WeakPolarHBondContact CA-OG1 3.45Å; C624-T665 WeakPolarHBondContact CA-O 3.46Å; C624-T665 PolarHBondContact N-O 2.96Å; C624-T665 PolarHBondContact N-OG1 2.99Å; C624-T665 VanDerWaalsContact N-OG1 3.12Å; Q625-T665 PolarHBondContact N-OG1 2.95Å; Q625-T665 VanDerWaalsContact N-OG1 3.12Å; Q625-T665 PolarHBondContact O-N 2.94Å; Q625-T665 PolarHBondContact O-OG1 3.38Å; Y627-T665 HydrophobicContact CE2-CG2 3.7Å; T665-P667 WeakPolarHBondContact O-CD 3.37Å
666F88.6Confident85.9Confident10 Ų1041.3 Ų41.34%0.04423%0.228CC..  trans-74.1111.9168.3-66.1-83.5000110.2C624 Y626 H664 P672 F673C624-F666 VanDerWaalsContact C-CZ 3.49Å; C624-F666 HydrophobicContact CB-CD1 4.02Å; C624-F666 HydrophobicContact CB-CE1 3.91Å; C624-F666 WeakPolarHBondContact O-CE1 3.4Å; C624-F666 WeakPolarHBondContact O-CZ 3.42Å; Y626-F666 HydrophobicContact CD1-CE2 4.27Å; Y626-F666 AromaticContact CD2-CE2 3.67Å; Y626-F666 HydrophobicContact CD2-CE2 3.67Å; Y626-F666 HydrophobicContact CD2-CZ 4.22Å; Y626-F666 HydrophobicContact CE1-CD2 4.28Å; Y626-F666 HydrophobicContact CE1-CE2 4.05Å; Y626-F666 HydrophobicContact CE2-CD2 4.33Å; Y626-F666 AromaticContact CE2-CE2 3.45Å; Y626-F666 HydrophobicContact CE2-CE2 3.45Å; Y626-F666 VanDerWaalsContact CE2-CE2 3.45Å; Y626-F666 AromaticContact CE2-CZ 3.97Å; Y626-F666 HydrophobicContact CE2-CZ 3.97Å; Y626-F666 HydrophobicContact CG-CE2 4.07Å; Y626-F666 AromaticContact CZ-CE2 3.64Å; H664-F666 HydrophobicContact CB-CD2 3.98Å; H664-F666 HydrophobicContact CB-CE2 4.46Å; F666-P672 HydrophobicContact CB-CG 4.28Å; F666-P672 HydrophobicContact CD1-CB 4.26Å; F666-P672 HydrophobicContact CD1-CG 4.3Å; F666-P672 HydrophobicContact CD2-CB 4.42Å; F666-P672 HydrophobicContact CD2-CG 4.33Å; F666-P672 HydrophobicContact CE1-CB 4.33Å; F666-P672 HydrophobicContact CG-CB 4.32Å; F666-P672 HydrophobicContact CG-CG 4.04Å; F666-P672 HydrophobicContact CZ-CB 4.46Å; F666-F673 HydrophobicContact CE1-CE2 4.23Å; F666-F673 HydrophobicContact CE1-CZ 4.5Å; F666-F673 HydrophobicContact CZ-CD2 4.09Å; F666-F673 AromaticContact CZ-CE2 3.71Å; F666-F673 HydrophobicContact CZ-CE2 3.71Å; F666-F673 HydrophobicContact CZ-CZ 4.36Å
667P81.8Confident85.7Confident19 Ų1941.6 Ų41.612%0.12323%0.23CC..  trans-68.8156.6174.729.4-34.4000111L530 M623 T665 N669 K670L530-P667 HydrophobicContact CD1-CB 4.12Å; L530-P667 HydrophobicContact CD2-CB 4.13Å; M623-P667 HydrophobicContact CE-CG 4.44Å; T665-P667 WeakPolarHBondContact O-CD 3.37Å; P667-N669 WeakPolarHBondContact CB-OD1 2.94Å; P667-N669 VanDerWaalsContact CG-OD1 3.24Å; P667-N669 WeakPolarHBondContact CG-OD1 3.06Å; P667-N669 PolarHBondContact O-N 2.87Å; P667-K670 HydrophobicContact CG-CB 3.98Å; P667-K670 HydrophobicContact CG-CD 4.03Å; P667-K670 HydrophobicContact CG-CG 4.05Å; P667-K670 PolarHBondContact O-N 2.79Å; P667-K670 VanDerWaalsContact O-O 3.1Å
668S74.5Confident85.6Confident96 Ų9645.5 Ų45.567%0.67125%0.248SC*.THydrogen-bonded Turntrans-58.6-19.4-174.8-44.50000114.7
669N76.2Confident85.4Confident138 Ų13846.4 Ų46.474%0.73825%0.252SS*.THydrogen-bonded Turntrans-92.3-4.5178.266.7-14.4000114.1P667P667-N669 WeakPolarHBondContact CB-OD1 2.94Å; P667-N669 VanDerWaalsContact CG-OD1 3.24Å; P667-N669 WeakPolarHBondContact CG-OD1 3.06Å; P667-N669 PolarHBondContact O-N 2.87Å
670K76.5Confident85Confident118 Ų11849.3 Ų49.351%0.51327%0.272SS..SBendtrans-119.8121176.8-72.3-174.5175.1-176.80109.9C624 P667C624-K670 WeakPolarHBondContact SG-CD 3.42Å; P667-K670 HydrophobicContact CG-CB 3.98Å; P667-K670 HydrophobicContact CG-CD 4.03Å; P667-K670 HydrophobicContact CG-CG 4.05Å; P667-K670 PolarHBondContact O-N 2.79Å; P667-K670 VanDerWaalsContact O-O 3.1Å
671Q71.6Confident84.6Confident101 Ų10150.7 Ų50.747%0.47228%0.278SS..PPolyproline II helixtrans-70.7136.7175.3-164.3164.916.600110.1E788 Y789Q671-E788 PolarHBondContact NE2-OE2 3.22Å; Q671-Y789 HydrophobicContact CG-CE2 4.37Å; Q671-Y789 VanDerWaalsContact NE2-CZ 3.27Å; Q671-Y789 PolarHBondContact NE2-OH 2.56Å
672P78.3Confident83.9Confident6 Ų655.5 Ų55.54%0.03931%0.311CS..PPolyproline II helixtrans-59.1168.8166.6-2233.2000112.3Y626 F666 T674 N784 Q786Y626-P672 WeakPolarHBondContact OH-CB 3.34Å; F666-P672 HydrophobicContact CB-CG 4.28Å; F666-P672 HydrophobicContact CD1-CB 4.26Å; F666-P672 HydrophobicContact CD1-CG 4.3Å; F666-P672 HydrophobicContact CD2-CB 4.42Å; F666-P672 HydrophobicContact CD2-CG 4.33Å; F666-P672 HydrophobicContact CE1-CB 4.33Å; F666-P672 HydrophobicContact CG-CB 4.32Å; F666-P672 HydrophobicContact CG-CG 4.04Å; F666-P672 HydrophobicContact CZ-CB 4.46Å; P672-T674 PolarHBondContact O-N 3.03Å; P672-N784 HydrophobicContact CB-CB 4Å; P672-Q786 HydrophobicContact CG-CG 3.94Å
673F82.6Confident83.5Confident65 Ų6558.4 Ų58.429%0.28532%0.324SS..PPolyproline II helixtrans-57.2137.8178-51.8-68.3000112F666 P675 Y707 N784F666-F673 HydrophobicContact CE1-CE2 4.23Å; F666-F673 HydrophobicContact CE1-CZ 4.5Å; F666-F673 HydrophobicContact CZ-CD2 4.09Å; F666-F673 AromaticContact CZ-CE2 3.71Å; F666-F673 HydrophobicContact CZ-CE2 3.71Å; F666-F673 HydrophobicContact CZ-CZ 4.36Å; F673-P675 WeakPolarHBondContact O-CD 3.32Å; F673-Y707 HydrophobicContact CB-CD2 4.09Å; F673-Y707 HydrophobicContact CB-CG 4.15Å; F673-Y707 AromaticContact CD1-CD1 3.82Å; F673-Y707 HydrophobicContact CD1-CD1 3.82Å; F673-Y707 AromaticContact CD1-CD2 3.7Å; F673-Y707 HydrophobicContact CD1-CD2 3.7Å; F673-Y707 HydrophobicContact CD1-CE1 4.05Å; F673-Y707 AromaticContact CD1-CE2 3.94Å; F673-Y707 HydrophobicContact CD1-CE2 3.94Å; F673-Y707 AromaticContact CD1-CG 3.64Å; F673-Y707 HydrophobicContact CD1-CG 3.64Å; F673-Y707 HydrophobicContact CD2-CD1 4.14Å; F673-Y707 AromaticContact CD2-CG 3.88Å; F673-Y707 HydrophobicContact CD2-CG 3.88Å; F673-Y707 AromaticContact CE1-CD1 3.61Å; F673-Y707 HydrophobicContact CE1-CD1 3.61Å; F673-Y707 HydrophobicContact CE1-CD2 4.28Å; F673-Y707 AromaticContact CE1-CE1 3.64Å; F673-Y707 HydrophobicContact CE1-CE1 3.64Å; F673-Y707 HydrophobicContact CE1-CE2 4.31Å; F673-Y707 AromaticContact CE1-CG 3.95Å; F673-Y707 HydrophobicContact CE1-CG 3.95Å; F673-Y707 AromaticContact CE2-CD1 3.94Å; F673-Y707 HydrophobicContact CE2-CD1 3.94Å; F673-Y707 HydrophobicContact CE2-CG 4.16Å; F673-Y707 HydrophobicContact CG-CD1 4.09Å; F673-Y707 AromaticContact CG-CD2 3.87Å; F673-Y707 HydrophobicContact CG-CD2 3.87Å; F673-Y707 AromaticContact CG-CG 3.6Å; F673-Y707 HydrophobicContact CG-CG 3.6Å; F673-Y707 AromaticContact CZ-CD1 3.68Å; F673-Y707 HydrophobicContact CZ-CD1 3.68Å; F673-Y707 AromaticContact CZ-CE1 4Å; F673-Y707 HydrophobicContact CZ-CE1 4Å; F673-Y707 HydrophobicContact CZ-CG 4.2Å; F673-N784 PolarHBondContact O-ND2 3.3Å
674T84.7Confident83.2Confident99 Ų9958.2 Ų58.261%0.60732%0.322SS*.PPolyproline II helixtrans-65.6121.6173.6-49.90000109.5P672 Y789P672-T674 PolarHBondContact O-N 3.03Å; T674-Y789 HydrophobicContact CG2-CE1 4.05Å; T674-Y789 PolarHBondContact OG1-OH 2.76Å
675P85.9Confident82.6Confident22 Ų2259.1 Ų59.114%0.14333%0.327CS..PPolyproline II helixtrans-72.5138.3-176.730-35.4000111.4F673 L709 M783 Y789F673-P675 WeakPolarHBondContact O-CD 3.32Å; P675-L709 HydrophobicContact CB-CD1 3.42Å; P675-L709 VanDerWaalsContact CB-CD1 3.42Å; P675-M783 HydrophobicContact CB-CB 4.11Å; P675-M783 HydrophobicContact CB-CE 4.48Å; P675-M783 HydrophobicContact CB-SD 3.96Å; P675-M783 HydrophobicContact CG-CB 3.89Å; P675-M783 HydrophobicContact CG-CE 3.97Å; P675-M783 HydrophobicContact CG-SD 4.07Å; P675-Y789 HydrophobicContact CG-CD1 4.3Å; P675-Y789 HydrophobicContact CG-CD2 3.99Å; P675-Y789 HydrophobicContact CG-CG 3.78Å
676C88.4Confident82.4Confident65 Ų6559.2 Ų59.244%0.43933%0.327SS..  trans-126.7106.4170.7-172.90000108.1N703 K704 S705C676-N703 PolarHBondContact O-OD1 3.12Å; C676-K704 HydrophobicContact CB-CB 4.37Å; C676-K704 PolarHBondContact O-N 3.25Å; C676-S705 PolarHBondContact O-N 2.95Å
677C86.8Confident81.9Confident41 Ų4161.9 Ų61.928%0.27734%0.342SS..EExtended strand (participates in β ladder)trans-134.9154.8-178.5660000112.9Y702 L709C677-Y702 CarbonylContact C-O 3.28Å; C677-Y702 WeakPolarHBondContact CA-O 3.32Å; C677-Y702 WeakPolarHBondContact CB-O 3.41Å; C677-L709 HydrophobicContact CB-CD2 3.84Å
678E88.7Confident81.9Confident102 Ų10262.2 Ų62.248%0.47734%0.344SS..EExtended strand (participates in β ladder)trans-121151171.7174175.4-165.200110.1F701 Y702 K704E678-F701 CarbonylContact O-C 3.56Å; E678-F701 WeakPolarHBondContact O-CA 3.26Å; E678-Y702 HydrophobicContact CB-CD1 4.42Å; E678-Y702 PolarHBondContact N-O 2.92Å; E678-Y702 PolarHBondContact O-N 2.85Å; E678-K704 HydrophobicContact CB-CD 4.32Å; E678-K704 WeakPolarHBondContact OE2-CE 3.44Å; E678-K704 IonicContact OE2-NZ 2.79Å; E678-K704 PolarHBondContact OE2-NZ 3.43Å
679M86.3Confident82.3Confident39 Ų3957.7 Ų57.719%0.19231%0.313CS..EExtended strand (participates in β ladder)trans-131.6145.3-172.6-58.1-163.459.300111.5K681 I699 S700 F701 W791M679-K681 VanDerWaalsContact C-N 3.3Å; M679-K681 PolarHBondContact O-N 3.48Å; M679-I699 HydrophobicContact CB-CD1 4.5Å; M679-I699 HydrophobicContact CE-CD1 3.35Å; M679-I699 HydrophobicContact CE-CG1 3.79Å; M679-I699 HydrophobicContact CE-CG2 4.17Å; M679-S700 WeakPolarHBondContact CA-O 3.45Å; M679-F701 HydrophobicContact CE-CD1 3.78Å; M679-F701 HydrophobicContact CE-CD2 3.99Å; M679-F701 HydrophobicContact CE-CE1 3.25Å; M679-F701 HydrophobicContact CE-CE2 3.48Å; M679-F701 VanDerWaalsContact CE-CE2 3.48Å; M679-F701 HydrophobicContact CE-CG 4.15Å; M679-F701 HydrophobicContact CE-CZ 3.12Å; M679-F701 HydrophobicContact CG-CD1 4Å; M679-F701 HydrophobicContact CG-CE1 4.12Å; M679-F701 HydrophobicContact SD-CD1 3.87Å; M679-F701 HydrophobicContact SD-CE1 3.37Å; M679-F701 WeakPolarHBondContact SD-CE1 3.42Å; M679-F701 HydrophobicContact SD-CZ 3.86Å; M679-W791 HydrophobicContact CE-CE3 3.96Å; M679-W791 HydrophobicContact CE-CH2 3.02Å; M679-W791 HydrophobicContact CE-CZ2 3.81Å; M679-W791 HydrophobicContact CE-CZ3 3.07Å; M679-W791 HydrophobicContact SD-CD2 3.77Å; M679-W791 VanDerWaalsContact SD-CE2 3.57Å; M679-W791 HydrophobicContact SD-CE3 3.58Å; M679-W791 VanDerWaalsContact SD-CE3 3.58Å; M679-W791 HydrophobicContact SD-CH2 3.17Å; M679-W791 WeakPolarHBondContact SD-CH2 3.34Å; M679-W791 HydrophobicContact SD-CZ2 3.32Å; M679-W791 WeakPolarHBondContact SD-CZ2 3.25Å; M679-W791 HydrophobicContact SD-CZ3 3.26Å; M679-W791 WeakPolarHBondContact SD-CZ3 3.3Å
680S83.2Confident82.4Confident61 Ų6151.3 Ų51.343%0.42728%0.279SS..SBendtrans-72.2-19.9-178.954.40000114.7I699 S700S680-I699 WeakPolarHBondContact OG-CG1 3.38Å; S680-S700 WeakPolarHBondContact CB-OG 3.2Å; S680-S700 PolarHBondContact N-O 2.63Å; S680-S700 PolarHBondContact OG-N 2.84Å; S680-S700 PolarHBondContact OG-OG 3.47Å
681K82.2Confident82.3Confident51 Ų5147.7 Ų47.722%0.22226%0.262CS..  trans-140.9151.3-178.9-55.2175.4-178.3164.70110.2N435 M679 D697 S698 I699N435-K681 WeakPolarHBondContact OD1-CE 3.48Å; N435-K681 PolarHBondContact OD1-NZ 2.97Å; M679-K681 VanDerWaalsContact C-N 3.3Å; M679-K681 PolarHBondContact O-N 3.48Å; K681-D697 IonicContact NZ-OD1 3.57Å; K681-D697 PolarHBondContact NZ-OD1 2.93Å; K681-D697 IonicContact NZ-OD2 2.62Å; K681-D697 PolarHBondContact NZ-OD2 2.8Å; K681-S698 PolarHBondContact NZ-O 2.74Å; K681-I699 HydrophobicContact CB-CD1 3.89Å; K681-I699 HydrophobicContact CB-CG1 4.33Å; K681-I699 WeakPolarHBondContact O-CD1 3.46Å
682S79.5Confident82.4Confident101 Ų10146.6 Ų46.671%0.70627%0.265SS*.SBendtrans-94.2-12.6176.656.80000114.1P794S682-P794 VanDerWaalsContact O-CD 3.29Å; S682-P794 WeakPolarHBondContact O-CD 3.35Å
683K84.1Confident82.3Confident74 Ų7448 Ų4832%0.32227%0.271SS..SBendtrans-149.3152.4177.563173.8178.8168.80111I685 P794 E796K683-I685 HydrophobicContact CD-CD1 3.98Å; K683-I685 HydrophobicContact CD-CG1 4.26Å; K683-I685 HydrophobicContact CG-CG1 4.29Å; K683-P794 CarbonylContact C-O 3.57Å; K683-P794 VanDerWaalsContact CA-O 3.31Å; K683-P794 WeakPolarHBondContact CA-O 3.26Å; K683-P794 HydrophobicContact CB-CB 3.92Å; K683-P794 HydrophobicContact CB-CG 4.39Å; K683-P794 WeakPolarHBondContact CB-O 3.4Å; K683-E796 IonicContact NZ-OE2 3.82Å; K683-E796 PolarHBondContact NZ-OE2 3.21Å
684I85.1Confident82.4Confident0 Ų047.1 Ų47.10%027%0.269CS..EExtended strand (participates in β ladder)trans-100.7130.2172.4-60.5-62.1000108.4F686 D697 I699 F751 I793 P794 I795 E796I684-F686 HydrophobicContact CG2-CD2 4.21Å; I684-F686 HydrophobicContact CG2-CE1 4.43Å; I684-F686 HydrophobicContact CG2-CE2 3.84Å; I684-F686 HydrophobicContact CG2-CZ 3.98Å; I684-D697 HydrophobicContact CG2-CB 3.99Å; I684-I699 HydrophobicContact CD1-CB 4.24Å; I684-I699 HydrophobicContact CD1-CD1 4Å; I684-F751 HydrophobicContact CD1-CD2 4.16Å; I684-F751 HydrophobicContact CD1-CE2 4.31Å; I684-F751 HydrophobicContact CG1-CD1 4.33Å; I684-F751 HydrophobicContact CG1-CD2 4.4Å; I684-F751 HydrophobicContact CG1-CE1 4.35Å; I684-F751 HydrophobicContact CG1-CE2 4.47Å; I684-F751 HydrophobicContact CG1-CG 4.37Å; I684-F751 HydrophobicContact CG1-CZ 4.44Å; I684-F751 HydrophobicContact CG2-CB 4.47Å; I684-I793 HydrophobicContact CG1-CG2 3.86Å; I684-P794 PolarHBondContact N-O 3.41Å; I684-I795 HydrophobicContact CB-CG1 4.26Å; I684-I795 WeakPolarHBondContact O-CA 3.41Å; I684-E796 PolarHBondContact O-N 2.99Å
685I79.7Confident82.5Confident34 Ų3443.9 Ų43.917%0.17425%0.246CC..EExtended strand (participates in β ladder)trans-124.2113.5177.8-54.4-108.2000105.3K683 E796K683-I685 HydrophobicContact CD-CD1 3.98Å; K683-I685 HydrophobicContact CD-CG1 4.26Å; K683-I685 HydrophobicContact CG-CG1 4.29Å; I685-E796 HydrophobicContact CD1-CB 4.01Å; I685-E796 HydrophobicContact CD1-CG 4.24Å; I685-E796 WeakPolarHBondContact CD1-OE2 2.98Å
686F84.8Confident82.6Confident1 Ų143.9 Ų43.90%0.00424%0.244CC..PPolyproline II helixtrans-77.9146.8171.4-68.2-78.5000110I684 K695 I732 F751 C753 I795 E796 I797I684-F686 HydrophobicContact CG2-CD2 4.21Å; I684-F686 HydrophobicContact CG2-CE1 4.43Å; I684-F686 HydrophobicContact CG2-CE2 3.84Å; I684-F686 HydrophobicContact CG2-CZ 3.98Å; F686-K695 HydrophobicContact CB-CB 4.28Å; F686-K695 HydrophobicContact CD1-CB 3.96Å; F686-I732 HydrophobicContact CE2-CD1 4.36Å; F686-F751 HydrophobicContact CE1-CB 4.11Å; F686-F751 HydrophobicContact CZ-CB 3.83Å; F686-C753 HydrophobicContact CD1-CB 3.67Å; F686-C753 HydrophobicContact CD2-CB 3.99Å; F686-C753 HydrophobicContact CE1-CB 3.58Å; F686-C753 HydrophobicContact CE2-CB 3.89Å; F686-C753 HydrophobicContact CG-CB 3.85Å; F686-C753 HydrophobicContact CZ-CB 3.67Å; F686-I795 HydrophobicContact CD2-CG2 3.88Å; F686-I795 HydrophobicContact CE2-CG2 3.64Å; F686-E796 PolarHBondContact N-O 2.85Å; F686-E796 VanDerWaalsContact N-O 3.12Å; F686-I797 HydrophobicContact CD2-CG1 3.91Å; F686-I797 HydrophobicContact CE2-CG1 4.5Å
687D79.1Confident82.5Confident66 Ų6641.3 Ų41.335%0.35323%0.225SC..PPolyproline II helixtrans-57.5149.3168.8-69.9-26.1000110.1M302 I689 K695M302-D687 WeakPolarHBondContact CE-OD1 3.36Å; M302-D687 VanDerWaalsContact SD-OD1 3.37Å; D687-I689 WeakPolarHBondContact O-CG1 3.29Å; D687-K695 HydrophobicContact CB-CD 4.14Å
688P81.9Confident82.6Confident26 Ų2639.3 Ų39.317%0.16921%0.212CC..PPolyproline II helixtrans-56.6142.9-177.6-28.538.7000113.4K695 D798 P834 Y835P688-K695 VanDerWaalsContact O-CE 3.3Å; P688-K695 WeakPolarHBondContact O-CE 3.38Å; P688-D798 CarbonylContact C-O 3.57Å; P688-D798 VanDerWaalsContact CA-O 3.3Å; P688-D798 WeakPolarHBondContact CA-O 3.35Å; P688-D798 HydrophobicContact CB-CB 4.29Å; P688-D798 HydrophobicContact CG-CB 4.21Å; P688-D798 WeakPolarHBondContact CG-OD2 3.46Å; P688-P834 HydrophobicContact CB-CB 4.25Å; P688-P834 HydrophobicContact CB-CG 3.46Å; P688-P834 VanDerWaalsContact CB-CG 3.46Å; P688-P834 HydrophobicContact CG-CB 3.74Å; P688-P834 HydrophobicContact CG-CG 3.45Å; P688-P834 VanDerWaalsContact CG-CG 3.45Å; P688-Y835 HydrophobicContact CB-CE1 4.1Å; P688-Y835 WeakPolarHBondContact CB-OH 3.4Å; P688-Y835 PolarHBondContact O-OH 2.92Å
689I82.8Confident82.6Confident1 Ų134.5 Ų34.51%0.00519%0.189CC..BIsolated β-bridgetrans-119126.2-175.5-56.3179.9000110.2D687 Y691 E693 K695 T755 I797 D798 F799 T800 Y835D687-I689 WeakPolarHBondContact O-CG1 3.29Å; I689-Y691 VanDerWaalsContact CG2-O 3.22Å; I689-Y691 WeakPolarHBondContact CG2-O 3.4Å; I689-E693 HydrophobicContact CG2-CG 4.07Å; I689-K695 HydrophobicContact CD1-CB 4.32Å; I689-K695 HydrophobicContact CD1-CG 3.76Å; I689-K695 HydrophobicContact CG1-CG 3.57Å; I689-T755 HydrophobicContact CD1-CG2 3.72Å; I689-T755 HydrophobicContact CG2-CG2 4.07Å; I689-I797 HydrophobicContact CD1-CG2 4Å; I689-D798 PolarHBondContact N-O 3.2Å; I689-F799 HydrophobicContact CB-CD1 4.12Å; I689-F799 HydrophobicContact CB-CE1 4.27Å; I689-F799 HydrophobicContact CG2-CD1 4.25Å; I689-F799 HydrophobicContact CG2-CE1 4.15Å; I689-F799 WeakPolarHBondContact O-CA 3.39Å; I689-T800 PolarHBondContact O-N 3.26Å; I689-Y835 WeakPolarHBondContact CA-OH 3.35Å; I689-Y835 PolarHBondContact N-OH 3.03Å; I689-Y835 VanDerWaalsContact N-OH 3.12Å
690E77.9Confident82.8Confident5 Ų533 Ų332%0.02318%0.183CC..SBendtrans-111.6-45.7175.6-177.2168.7-150.600111.8E693 Y759 T800 I801 A802 Y835 R890 K902E690-E693 PolarHBondContact N-OE1 2.74Å; E690-Y759 WeakPolarHBondContact O-CB 3.31Å; E690-Y759 PolarHBondContact O-N 2.95Å; E690-Y759 VanDerWaalsContact O-N 3.16Å; E690-T800 WeakPolarHBondContact CB-O 3.22Å; E690-I801 HydrophobicContact CG-CG2 4.35Å; E690-I801 WeakPolarHBondContact OE1-CA 3.29Å; E690-A802 VanDerWaalsContact CD-N 3.34Å; E690-A802 PolarHBondContact OE1-N 3.46Å; E690-Y835 HydrophobicContact CB-CE2 4.06Å; E690-Y835 PolarHBondContact N-OH 3Å; E690-R890 VanDerWaalsContact OE2-CD 3.31Å; E690-R890 WeakPolarHBondContact OE2-CD 3.24Å; E690-K902 IonicContact OE1-NZ 3.44Å; E690-K902 PolarHBondContact OE1-NZ 3.04Å
691Y74.7Confident83.2Confident42 Ų4230.1 Ų30.117%0.16516%0.163CC..SBendtrans-110.4-179.9-177.6-55.3-70.8000111.1I689 E693 T755 R890 E900I689-Y691 VanDerWaalsContact CG2-O 3.22Å; I689-Y691 WeakPolarHBondContact CG2-O 3.4Å; Y691-E693 PolarHBondContact O-N 2.74Å; Y691-T755 PolarHBondContact O-OG1 3.3Å; Y691-R890 HydrophobicContact CE2-CB 4.5Å; Y691-E900 HydrophobicContact CE1-CB 4.27Å
692C74.4Confident83.8Confident78 Ų7830.3 Ų30.353%0.52716%0.162SC..SBendtrans-69.977.6172.2-62.40000110.7S758C692-S758 PolarHBondContact SG-N 2.85Å; C692-S758 VanDerWaalsContact SG-N 3.41Å
693E76Confident84.4Confident36 Ų3625.5 Ų25.517%0.16813%0.129CC..  trans-122149.1178.864.5-171.2138.600111I689 E690 Y691 K695 T755 R890I689-E693 HydrophobicContact CG2-CG 4.07Å; E690-E693 PolarHBondContact N-OE1 2.74Å; Y691-E693 PolarHBondContact O-N 2.74Å; E693-K695 VanDerWaalsContact CD-CE 3.42Å; E693-K695 VanDerWaalsContact CD-NZ 3.33Å; E693-K695 IonicContact OE1-NZ 2.78Å; E693-K695 WeakPolarHBondContact OE2-CE 3.36Å; E693-K695 IonicContact OE2-NZ 2.89Å; E693-K695 PolarHBondContact OE2-NZ 2.88Å; E693-T755 PolarHBondContact N-OG1 2.87Å; E693-T755 PolarHBondContact O-OG1 2.71Å; E693-T755 VanDerWaalsContact O-OG1 3.13Å; E693-R890 IonicContact OE1-CZ 2.56Å; E693-R890 IonicContact OE1-NH1 3.94Å; E693-R890 PolarHBondContact OE1-NH1 2.82Å; E693-R890 IonicContact OE1-NH2 3.78Å; E693-R890 PolarHBondContact OE1-NH2 2.9Å; E693-R890 IonicContact OE2-CZ 3.38Å; E693-R890 IonicContact OE2-NH1 3.75Å; E693-R890 IonicContact OE2-NH2 2.91Å; E693-R890 PolarHBondContact OE2-NH2 3.25Å
694N83.5Confident84.8Confident45 Ų4526.2 Ų26.224%0.24113%0.132CC..  trans-86.5129.7174.5-67.7-41.7000109.8Y696 R752 C753 E754N694-Y696 HydrophobicContact CB-CE2 3.94Å; N694-R752 PolarHBondContact ND2-NH2 2.79Å; N694-R752 VanDerWaalsContact ND2-NH2 3.19Å; N694-C753 WeakPolarHBondContact CA-O 3.24Å; N694-E754 WeakPolarHBondContact OD1-CA 3.39Å; N694-E754 WeakPolarHBondContact OD1-CB 3.33Å; N694-E754 WeakPolarHBondContact OD1-CG 3.41Å
695K87.7Confident85Confident31 Ų3126.9 Ų26.914%0.13514%0.137CC..EExtended strand (participates in β ladder)trans-114.1149173.9-64.5-57.9-171.7-170.60111.1F686 D687 P688 I689 E693 R752 C753F686-K695 HydrophobicContact CB-CB 4.28Å; F686-K695 HydrophobicContact CD1-CB 3.96Å; D687-K695 HydrophobicContact CB-CD 4.14Å; P688-K695 VanDerWaalsContact O-CE 3.3Å; P688-K695 WeakPolarHBondContact O-CE 3.38Å; I689-K695 HydrophobicContact CD1-CB 4.32Å; I689-K695 HydrophobicContact CD1-CG 3.76Å; I689-K695 HydrophobicContact CG1-CG 3.57Å; E693-K695 VanDerWaalsContact CD-CE 3.42Å; E693-K695 VanDerWaalsContact CD-NZ 3.33Å; E693-K695 IonicContact OE1-NZ 2.78Å; E693-K695 WeakPolarHBondContact OE2-CE 3.36Å; E693-K695 IonicContact OE2-NZ 2.89Å; E693-K695 PolarHBondContact OE2-NZ 2.88Å; K695-R752 CarbonylContact O-C 3.51Å; K695-R752 WeakPolarHBondContact O-CA 3.42Å; K695-C753 HydrophobicContact CB-CB 4.42Å; K695-C753 PolarHBondContact N-O 2.59Å; K695-C753 PolarHBondContact O-N 2.8Å
696Y87.4Confident85.4Confident23 Ų2331.7 Ų31.79%0.0916%0.158CC..EExtended strand (participates in β ladder)trans-130.1141.5-176.4-56.3-89.8000110.7Y491 N694 V750 F751 R752Y491-Y696 VanDerWaalsContact CB-CG 3.48Å; Y491-Y696 HydrophobicContact CD1-CD1 4.37Å; Y491-Y696 HydrophobicContact CD1-CG 4.22Å; Y491-Y696 HydrophobicContact CD2-CD2 4.31Å; Y491-Y696 HydrophobicContact CD2-CG 4.2Å; Y491-Y696 HydrophobicContact CG-CD1 4.17Å; Y491-Y696 HydrophobicContact CG-CD2 4.08Å; Y491-Y696 AromaticContact CG-CG 3.74Å; Y491-Y696 HydrophobicContact CG-CG 3.74Å; N694-Y696 HydrophobicContact CB-CE2 3.94Å; Y696-V750 HydrophobicContact CD1-CG1 4.05Å; Y696-F751 VanDerWaalsContact CA-O 3.22Å; Y696-F751 WeakPolarHBondContact CA-O 3.36Å; Y696-R752 HydrophobicContact CD1-CB 3.83Å; Y696-R752 HydrophobicContact CD1-CG 4.1Å; Y696-R752 HydrophobicContact CE1-CB 3.69Å; Y696-R752 HydrophobicContact CE1-CG 3.55Å
697D87.7Confident85.6Confident10 Ų1037.4 Ų37.45%0.05318%0.181CC..EExtended strand (participates in β ladder)trans-136.6162162.7-165.710.5000108.7K681 I684 F751K681-D697 IonicContact NZ-OD1 3.57Å; K681-D697 PolarHBondContact NZ-OD1 2.93Å; K681-D697 IonicContact NZ-OD2 2.62Å; K681-D697 PolarHBondContact NZ-OD2 2.8Å; I684-D697 HydrophobicContact CG2-CB 3.99Å; D697-F751 PolarHBondContact N-O 2.86Å; D697-F751 PolarHBondContact O-N 2.93Å
698S87.9Confident86.1Confident0 Ų036.2 Ų36.20%018%0.177CC..EExtended strand (participates in β ladder)trans-133.3152-179.752.20000112.4N435 K681 I749N435-S698 PolarHBondContact N-OG 2.93Å; K681-S698 PolarHBondContact NZ-O 2.74Å; S698-I749 WeakPolarHBondContact CA-O 3.43Å
699I89Confident86.6Confident0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-139.3143.9178.9-160.3157.8000109.9M679 S680 K681 I684 F701 V748 I749 F751 W791M679-I699 HydrophobicContact CB-CD1 4.5Å; M679-I699 HydrophobicContact CE-CD1 3.35Å; M679-I699 HydrophobicContact CE-CG1 3.79Å; M679-I699 HydrophobicContact CE-CG2 4.17Å; S680-I699 WeakPolarHBondContact OG-CG1 3.38Å; K681-I699 HydrophobicContact CB-CD1 3.89Å; K681-I699 HydrophobicContact CB-CG1 4.33Å; K681-I699 WeakPolarHBondContact O-CD1 3.46Å; I684-I699 HydrophobicContact CD1-CB 4.24Å; I684-I699 HydrophobicContact CD1-CD1 4Å; I699-F701 HydrophobicContact CG2-CD2 3.97Å; I699-F701 HydrophobicContact CG2-CE2 3.51Å; I699-F701 HydrophobicContact CG2-CZ 4.48Å; I699-V748 WeakPolarHBondContact O-CA 3.14Å; I699-I749 HydrophobicContact CG2-CB 4.27Å; I699-I749 PolarHBondContact N-O 2.86Å; I699-I749 PolarHBondContact O-N 2.89Å; I699-F751 HydrophobicContact CG2-CD2 4.31Å; I699-F751 HydrophobicContact CG2-CE2 3.6Å; I699-W791 HydrophobicContact CD1-CH2 4.3Å
700S90.3Very high87Confident8 Ų835.2 Ų35.26%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-99.5133.9170.7580000110.4C434 M679 S680 K747C434-S700 WeakPolarHBondContact SG-CB 3.34Å; C434-S700 PolarHBondContact SG-N 3.08Å; M679-S700 WeakPolarHBondContact CA-O 3.45Å; S680-S700 WeakPolarHBondContact CB-OG 3.2Å; S680-S700 PolarHBondContact N-O 2.63Å; S680-S700 PolarHBondContact OG-N 2.84Å; S680-S700 PolarHBondContact OG-OG 3.47Å; S700-K747 CarbonylContact C-O 3.57Å; S700-K747 VanDerWaalsContact CA-O 3.27Å; S700-K747 WeakPolarHBondContact CA-O 3.34Å
701F91.2Very high87.6Confident1 Ų135.1 Ų35.10%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-100.8138167.2-74-100.4000109.6E678 M679 I699 I711 I741 Y746 K747 I749 W791E678-F701 CarbonylContact O-C 3.56Å; E678-F701 WeakPolarHBondContact O-CA 3.26Å; M679-F701 HydrophobicContact CE-CD1 3.78Å; M679-F701 HydrophobicContact CE-CD2 3.99Å; M679-F701 HydrophobicContact CE-CE1 3.25Å; M679-F701 HydrophobicContact CE-CE2 3.48Å; M679-F701 VanDerWaalsContact CE-CE2 3.48Å; M679-F701 HydrophobicContact CE-CG 4.15Å; M679-F701 HydrophobicContact CE-CZ 3.12Å; M679-F701 HydrophobicContact CG-CD1 4Å; M679-F701 HydrophobicContact CG-CE1 4.12Å; M679-F701 HydrophobicContact SD-CD1 3.87Å; M679-F701 HydrophobicContact SD-CE1 3.37Å; M679-F701 WeakPolarHBondContact SD-CE1 3.42Å; M679-F701 HydrophobicContact SD-CZ 3.86Å; I699-F701 HydrophobicContact CG2-CD2 3.97Å; I699-F701 HydrophobicContact CG2-CE2 3.51Å; I699-F701 HydrophobicContact CG2-CZ 4.48Å; F701-I711 HydrophobicContact CD1-CD1 3.56Å; F701-I711 HydrophobicContact CD2-CD1 4.46Å; F701-I711 HydrophobicContact CE1-CD1 3.65Å; F701-I711 HydrophobicContact CG-CD1 3.96Å; F701-I711 HydrophobicContact CZ-CD1 4.13Å; F701-I741 HydrophobicContact CB-CD1 3.85Å; F701-I741 HydrophobicContact CG-CD1 4.45Å; F701-Y746 CarbonylContact O-C 3.49Å; F701-Y746 VanDerWaalsContact O-CA 3.31Å; F701-Y746 WeakPolarHBondContact O-CA 3.49Å; F701-K747 HydrophobicContact CB-CB 4.46Å; F701-K747 PolarHBondContact N-O 2.72Å; F701-K747 PolarHBondContact O-N 3.37Å; F701-I749 HydrophobicContact CD2-CB 4.38Å; F701-I749 HydrophobicContact CD2-CD1 3.67Å; F701-I749 HydrophobicContact CD2-CG1 3.85Å; F701-I749 HydrophobicContact CE2-CB 4.14Å; F701-I749 HydrophobicContact CE2-CD1 3.46Å; F701-I749 VanDerWaalsContact CE2-CD1 3.46Å; F701-I749 HydrophobicContact CE2-CG1 3.91Å; F701-I749 HydrophobicContact CZ-CD1 4.19Å; F701-W791 HydrophobicContact CE1-CE3 4.1Å; F701-W791 HydrophobicContact CE1-CZ3 4.09Å; F701-W791 HydrophobicContact CZ-CE3 4Å; F701-W791 AromaticContact CZ-CZ3 3.67Å; F701-W791 HydrophobicContact CZ-CZ3 3.67Å
702Y94Very high88.3Confident54 Ų5435.8 Ų35.821%0.21217%0.174CC..EExtended strand (participates in β ladder)trans-119.4114.5170.2175.7-136.3000108.7C677 E678 K704 S745 Y746C677-Y702 CarbonylContact C-O 3.28Å; C677-Y702 WeakPolarHBondContact CA-O 3.32Å; C677-Y702 WeakPolarHBondContact CB-O 3.41Å; E678-Y702 HydrophobicContact CB-CD1 4.42Å; E678-Y702 PolarHBondContact N-O 2.92Å; E678-Y702 PolarHBondContact O-N 2.85Å; Y702-K704 HydrophobicContact CD1-CD 4.23Å; Y702-K704 HydrophobicContact CD1-CG 3.51Å; Y702-K704 HydrophobicContact CE1-CD 4.19Å; Y702-K704 HydrophobicContact CE1-CG 3.37Å; Y702-K704 HydrophobicContact CG-CG 4.36Å; Y702-K704 PolarHBondContact O-N 2.87Å; Y702-S745 WeakPolarHBondContact CD2-O 3.44Å; Y702-Y746 HydrophobicContact CD1-CE1 4.27Å; Y702-Y746 AromaticContact CD2-CD1 3.85Å; Y702-Y746 HydrophobicContact CD2-CD1 3.85Å; Y702-Y746 AromaticContact CD2-CD2 3.91Å; Y702-Y746 HydrophobicContact CD2-CD2 3.91Å; Y702-Y746 AromaticContact CD2-CE1 3.54Å; Y702-Y746 HydrophobicContact CD2-CE1 3.54Å; Y702-Y746 AromaticContact CD2-CE2 3.6Å; Y702-Y746 HydrophobicContact CD2-CE2 3.6Å; Y702-Y746 HydrophobicContact CD2-CG 4.02Å; Y702-Y746 AromaticContact CD2-CZ 3.39Å; Y702-Y746 HydrophobicContact CE2-CD2 4.27Å; Y702-Y746 HydrophobicContact CE2-CE1 4.31Å; Y702-Y746 AromaticContact CE2-CE2 3.69Å; Y702-Y746 HydrophobicContact CE2-CE2 3.69Å; Y702-Y746 AromaticContact CE2-CZ 3.7Å; Y702-Y746 HydrophobicContact CG-CD1 4.04Å; Y702-Y746 AromaticContact CG-CE1 3.54Å; Y702-Y746 HydrophobicContact CG-CE1 3.54Å; Y702-Y746 HydrophobicContact CG-CE2 4.4Å; Y702-Y746 AromaticContact CG-CZ 3.74Å
703N94.2Very high88.9Confident0 Ų033.3 Ų33.30%016%0.155CC..EExtended strand (participates in β ladder)trans-80.7109.6174179.914000109.2C676 S705 Y707 L709 I741 P742 N744 S745C676-N703 PolarHBondContact O-OD1 3.12Å; N703-S705 VanDerWaalsContact C-N 3.33Å; N703-S705 WeakPolarHBondContact OD1-CB 3.18Å; N703-S705 PolarHBondContact OD1-N 2.92Å; N703-S705 PolarHBondContact OD1-OG 2.84Å; N703-Y707 PolarHBondContact ND2-O 3.33Å; N703-L709 HydrophobicContact CB-CB 4.4Å; N703-L709 HydrophobicContact CB-CD2 4.49Å; N703-I741 HydrophobicContact CB-CB 4.38Å; N703-I741 HydrophobicContact CB-CG2 3.68Å; N703-I741 PolarHBondContact ND2-O 2.93Å; N703-P742 PolarHBondContact ND2-O 3.04Å; N703-N744 WeakPolarHBondContact O-CA 3.24Å; N703-N744 PolarHBondContact O-N 3.08Å; N703-N744 VanDerWaalsContact O-N 3.14Å; N703-S745 PolarHBondContact N-O 2.79Å
704K91.4Very high89Confident90 Ų9036.3 Ų36.339%0.39117%0.167SC..  trans-88.1-1.4178.4-71.4-179175.2178.20113.3C676 E678 Y702C676-K704 HydrophobicContact CB-CB 4.37Å; C676-K704 PolarHBondContact O-N 3.25Å; E678-K704 HydrophobicContact CB-CD 4.32Å; E678-K704 WeakPolarHBondContact OE2-CE 3.44Å; E678-K704 IonicContact OE2-NZ 2.79Å; E678-K704 PolarHBondContact OE2-NZ 3.43Å; Y702-K704 HydrophobicContact CD1-CD 4.23Å; Y702-K704 HydrophobicContact CD1-CG 3.51Å; Y702-K704 HydrophobicContact CE1-CD 4.19Å; Y702-K704 HydrophobicContact CE1-CG 3.37Å; Y702-K704 HydrophobicContact CG-CG 4.36Å; Y702-K704 PolarHBondContact O-N 2.87Å
705S89.2Confident88.5Confident14 Ų1438.7 Ų38.710%0.09818%0.18CC..SBendtrans-87.9154.7-179.872.80000111.5C676 N703 Y707 A743 N744C676-S705 PolarHBondContact O-N 2.95Å; N703-S705 VanDerWaalsContact C-N 3.33Å; N703-S705 WeakPolarHBondContact OD1-CB 3.18Å; N703-S705 PolarHBondContact OD1-N 2.92Å; N703-S705 PolarHBondContact OD1-OG 2.84Å; S705-Y707 PolarHBondContact O-N 3.04Å; S705-Y707 PolarHBondContact OG-O 3.17Å; S705-A743 WeakPolarHBondContact O-CA 3.38Å; S705-A743 WeakPolarHBondContact O-CB 3.49Å; S705-N744 PolarHBondContact O-N 2.67Å
706E87.6Confident87.5Confident134 Ų13442.3 Ų42.363%0.62620%0.2SC*.SBendtrans-752.7172.5-63.2-60.6136.400112.8A743 N744E706-A743 VanDerWaalsContact C-CB 3.46Å; E706-N744 PolarHBondContact OE1-ND2 3.21Å
707Y89.6Confident86.7Confident121 Ų12142.4 Ų42.448%0.47520%0.202SC..SBendtrans-123.4155.2-178.1-57-71.7000110.3F673 N703 S705F673-Y707 HydrophobicContact CB-CD2 4.09Å; F673-Y707 HydrophobicContact CB-CG 4.15Å; F673-Y707 AromaticContact CD1-CD1 3.82Å; F673-Y707 HydrophobicContact CD1-CD1 3.82Å; F673-Y707 AromaticContact CD1-CD2 3.7Å; F673-Y707 HydrophobicContact CD1-CD2 3.7Å; F673-Y707 HydrophobicContact CD1-CE1 4.05Å; F673-Y707 AromaticContact CD1-CE2 3.94Å; F673-Y707 HydrophobicContact CD1-CE2 3.94Å; F673-Y707 AromaticContact CD1-CG 3.64Å; F673-Y707 HydrophobicContact CD1-CG 3.64Å; F673-Y707 HydrophobicContact CD2-CD1 4.14Å; F673-Y707 AromaticContact CD2-CG 3.88Å; F673-Y707 HydrophobicContact CD2-CG 3.88Å; F673-Y707 AromaticContact CE1-CD1 3.61Å; F673-Y707 HydrophobicContact CE1-CD1 3.61Å; F673-Y707 HydrophobicContact CE1-CD2 4.28Å; F673-Y707 AromaticContact CE1-CE1 3.64Å; F673-Y707 HydrophobicContact CE1-CE1 3.64Å; F673-Y707 HydrophobicContact CE1-CE2 4.31Å; F673-Y707 AromaticContact CE1-CG 3.95Å; F673-Y707 HydrophobicContact CE1-CG 3.95Å; F673-Y707 AromaticContact CE2-CD1 3.94Å; F673-Y707 HydrophobicContact CE2-CD1 3.94Å; F673-Y707 HydrophobicContact CE2-CG 4.16Å; F673-Y707 HydrophobicContact CG-CD1 4.09Å; F673-Y707 AromaticContact CG-CD2 3.87Å; F673-Y707 HydrophobicContact CG-CD2 3.87Å; F673-Y707 AromaticContact CG-CG 3.6Å; F673-Y707 HydrophobicContact CG-CG 3.6Å; F673-Y707 AromaticContact CZ-CD1 3.68Å; F673-Y707 HydrophobicContact CZ-CD1 3.68Å; F673-Y707 AromaticContact CZ-CE1 4Å; F673-Y707 HydrophobicContact CZ-CE1 4Å; F673-Y707 HydrophobicContact CZ-CG 4.2Å; N703-Y707 PolarHBondContact ND2-O 3.33Å; S705-Y707 PolarHBondContact O-N 3.04Å; S705-Y707 PolarHBondContact OG-O 3.17Å
708P90.1Very high85.8Confident42 Ų4248.4 Ų48.427%0.27323%0.227SC..  trans-67.5144.9175.528.5-34.9000111.5Y626 L740 I741Y626-P708 HydrophobicContact CD2-CG 4.26Å; P708-L740 HydrophobicContact CB-CD1 4Å; P708-L740 HydrophobicContact CB-CD2 4.39Å; P708-L740 HydrophobicContact CB-CG 4.14Å; P708-I741 CarbonylContact C-O 3.42Å; P708-I741 WeakPolarHBondContact CA-O 3.49Å
709L91.6Very high85.1Confident1 Ų149.7 Ų49.71%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-111.3114.9-179.9173.559.1000110P675 C677 N703 I711 I741 M783P675-L709 HydrophobicContact CB-CD1 3.42Å; P675-L709 VanDerWaalsContact CB-CD1 3.42Å; C677-L709 HydrophobicContact CB-CD2 3.84Å; N703-L709 HydrophobicContact CB-CB 4.4Å; N703-L709 HydrophobicContact CB-CD2 4.49Å; L709-I711 HydrophobicContact CD2-CD1 4.25Å; L709-I711 HydrophobicContact CD2-CG1 4.27Å; L709-I711 HydrophobicContact CG-CG1 4.01Å; L709-I741 HydrophobicContact CB-CB 4.33Å; L709-I741 PolarHBondContact N-O 2.94Å; L709-I741 PolarHBondContact O-N 3.47Å; L709-M783 HydrophobicContact CD1-CB 3.91Å; L709-M783 HydrophobicContact CD1-CG 4.16Å; L709-M783 HydrophobicContact CD1-SD 4.35Å
710L92.1Very high84.4Confident5 Ų554.6 Ų54.63%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-86.6120.8173.1-177.168.3000109.3Y626 Y662 I738 L740 M783 N784 K785Y626-L710 HydrophobicContact CD1-CB 4.26Å; Y626-L710 HydrophobicContact CD1-CD2 4.05Å; Y626-L710 HydrophobicContact CE1-CB 3.94Å; Y626-L710 HydrophobicContact CE1-CD2 3.67Å; Y626-L710 HydrophobicContact CE1-CG 4.44Å; Y662-L710 HydrophobicContact CD1-CD1 4.33Å; L710-I738 HydrophobicContact CD1-CD1 4.16Å; L710-I738 HydrophobicContact CD1-CG1 3.93Å; L710-L740 HydrophobicContact CB-CD1 3.87Å; L710-L740 HydrophobicContact CD1-CB 4.39Å; L710-L740 HydrophobicContact CD1-CD1 4.09Å; L710-M783 CarbonylContact O-C 3.58Å; L710-M783 WeakPolarHBondContact O-CA 3.06Å; L710-N784 PolarHBondContact N-OD1 3.31Å; L710-N784 PolarHBondContact O-N 3.02Å; L710-K785 HydrophobicContact CD2-CD 4.09Å; L710-K785 HydrophobicContact CD2-CG 4.03Å
711I90.8Very high83.7Confident3 Ų357.3 Ų57.32%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-107.7129.8173.9-61.8-165.2000108.3F701 L709 I738 T739 I741 I749 V781F701-I711 HydrophobicContact CD1-CD1 3.56Å; F701-I711 HydrophobicContact CD2-CD1 4.46Å; F701-I711 HydrophobicContact CE1-CD1 3.65Å; F701-I711 HydrophobicContact CG-CD1 3.96Å; F701-I711 HydrophobicContact CZ-CD1 4.13Å; L709-I711 HydrophobicContact CD2-CD1 4.25Å; L709-I711 HydrophobicContact CD2-CG1 4.27Å; L709-I711 HydrophobicContact CG-CG1 4.01Å; I711-I738 CarbonylContact O-C 3.5Å; I711-I738 VanDerWaalsContact O-CA 3.3Å; I711-I738 WeakPolarHBondContact O-CA 3.48Å; I711-T739 HydrophobicContact CB-CG2 4.05Å; I711-T739 PolarHBondContact N-O 3.15Å; I711-T739 PolarHBondContact O-N 3.15Å; I711-I741 HydrophobicContact CD1-CD1 3.43Å; I711-I741 VanDerWaalsContact CD1-CD1 3.43Å; I711-I741 HydrophobicContact CD1-CG1 4.45Å; I711-I741 HydrophobicContact CG1-CD1 4.03Å; I711-I749 HydrophobicContact CD1-CD1 4.35Å; I711-I749 HydrophobicContact CG2-CD1 4.11Å; I711-V781 HydrophobicContact CG2-CG1 3.33Å
712Q88.6Confident82.6Confident56 Ų5660.3 Ų60.326%0.26229%0.287SS..EExtended strand (participates in β ladder)trans-135.7129.8177.4-173.8173.712.800111I738 S782Q712-I738 HydrophobicContact CB-CD1 4.48Å; Q712-I738 HydrophobicContact CB-CG1 4.26Å; Q712-I738 HydrophobicContact CG-CB 4.44Å; Q712-I738 HydrophobicContact CG-CD1 4.27Å; Q712-I738 HydrophobicContact CG-CG1 4.33Å; Q712-S782 PolarHBondContact N-O 2.77Å; Q712-S782 PolarHBondContact O-N 2.62Å
713H87Confident81.2Confident25 Ų2567.2 Ų67.212%0.11632%0.321CS..EExtended strand (participates in β ladder)trans-72.9127.3172.3-175.9-140.6000110N715 I732 L734 S737 E779H713-N715 PolarHBondContact CD2-N 3.26Å; H713-N715 WeakPolarHBondContact NE2-CA 2.97Å; H713-N715 PolarHBondContact NE2-N 3.37Å; H713-I732 PolarHBondContact CE1-O 3.16Å; H713-L734 HydrophobicContact CB-CB 4.02Å; H713-L734 HydrophobicContact CB-CD2 4.05Å; H713-L734 HydrophobicContact CB-CG 4.45Å; H713-S737 VanDerWaalsContact CB-O 3.3Å; H713-S737 WeakPolarHBondContact CB-O 3.5Å; H713-S737 PolarHBondContact N-O 2.95Å; H713-E779 IonicContact CD2-OE1 3.08Å; H713-E779 PolarHBondContact CD2-OE1 2.87Å; H713-E779 IonicContact CE1-OE1 3.38Å; H713-E779 IonicContact NE2-OE1 2.93Å; H713-E779 PolarHBondContact NE2-OE1 3Å
714K78.7Confident79.7Confident100 Ų10074.8 Ų74.844%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-89.3-9.9176.8-76.9-164164.4-167.80113.7L716 I780 E790K714-L716 HydrophobicContact CB-CB 4.34Å; K714-L716 PolarHBondContact O-N 3.17Å; K714-I780 HydrophobicContact CD-CG2 4.23Å; K714-I780 PolarHBondContact N-O 3.44Å; K714-E790 WeakPolarHBondContact CE-OE1 3.5Å; K714-E790 IonicContact NZ-OE1 2.91Å; K714-E790 PolarHBondContact NZ-OE1 2.75Å
715N71.9Confident78.5Confident94 Ų9471.3 Ų71.350%0.50335%0.347SS..EExtended strand (participates in β ladder)trans47.848.3-172.9-159.222.9000112.3H713 I732H713-N715 PolarHBondContact CD2-N 3.26Å; H713-N715 WeakPolarHBondContact NE2-CA 2.97Å; H713-N715 PolarHBondContact NE2-N 3.37Å; N715-I732 PolarHBondContact OD1-O 2.89Å
716L67.5Low77.4Confident108 Ų10873.7 Ų73.757%0.56536%0.358SS*.EExtended strand (participates in β ladder)trans-130.780.5-177-161.2106.7000108.2K714 I780K714-L716 HydrophobicContact CB-CB 4.34Å; K714-L716 PolarHBondContact O-N 3.17Å; L716-I780 HydrophobicContact CD2-CD1 3.92Å
717M69.8Low76.4Confident24 Ų2473.7 Ų73.712%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-81.9132.1173.2-167.8-178.4175.300109.6F730 I732 E779 I795 I797M717-F730 HydrophobicContact CE-CE2 4.14Å; M717-F730 HydrophobicContact CE-CZ 4.01Å; M717-F730 HydrophobicContact SD-CD2 4.47Å; M717-F730 HydrophobicContact SD-CE2 3.26Å; M717-F730 WeakPolarHBondContact SD-CE2 3.25Å; M717-F730 HydrophobicContact SD-CZ 3.57Å; M717-F730 VanDerWaalsContact SD-CZ 3.57Å; M717-I732 HydrophobicContact CE-CD1 4.03Å; M717-I732 HydrophobicContact CG-CD1 4.46Å; M717-I732 HydrophobicContact SD-CD1 3.35Å; M717-I732 WeakPolarHBondContact SD-CD1 3.27Å; M717-I732 HydrophobicContact SD-CG1 4.22Å; M717-E779 VanDerWaalsContact CB-OE2 3.28Å; M717-E779 WeakPolarHBondContact CB-OE2 3.13Å; M717-I795 HydrophobicContact CE-CB 4.34Å; M717-I795 HydrophobicContact CE-CG2 4.42Å; M717-I797 HydrophobicContact CE-CD1 4.29Å
718K70.2Confident75.4Confident137 Ų13773.9 Ų73.960%0.59637%0.368SS*.EExtended strand (participates in β ladder)trans-107.6116.4168.5-171.7175.2-179.4178.10110.1G777 L778K718-G777 CarbonylContact O-C 3.55Å; K718-G777 WeakPolarHBondContact O-CA 3.45Å; K718-L778 PolarHBondContact N-O 3.48Å; K718-L778 VanDerWaalsContact N-O 3.08Å; K718-L778 PolarHBondContact O-N 3.08Å
719C72.8Confident74.5Confident26 Ų2672 Ų7218%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-67.8132.6169.9-168.10000109.8N721C719-N721 PolarHBondContact SG-OD1 2.94Å; C719-N721 VanDerWaalsContact SG-OD1 3.35Å
720L74.1Confident73.7Confident104 Ų10472.8 Ų72.855%0.54536%0.359SS..SBendtrans-98.4-25.8-177.5-67179.8000113.3K776 L778L720-K776 WeakPolarHBondContact CB-O 3.36Å; L720-K776 PolarHBondContact N-O 3.21Å; L720-L778 HydrophobicContact CD1-CD1 4.09Å; L720-L778 HydrophobicContact CD1-CD2 4.47Å; L720-L778 HydrophobicContact CD1-CG 3.87Å; L720-L778 HydrophobicContact CD2-CD1 3.99Å; L720-L778 HydrophobicContact CD2-CG 4.35Å; L720-L778 HydrophobicContact CG-CD1 4.42Å; L720-L778 HydrophobicContact CG-CG 4.28Å
721N75Confident73.1Confident65 Ų6574.7 Ų74.735%0.34837%0.369SS..SBendtrans-111.6-14.8-169.261.6-27.1000115C719 I774 K776C719-N721 PolarHBondContact SG-OD1 2.94Å; C719-N721 VanDerWaalsContact SG-OD1 3.35Å; N721-I774 PolarHBondContact ND2-O 2.63Å; N721-K776 PolarHBondContact ND2-N 3.07Å; N721-K776 PolarHBondContact OD1-N 3.36Å; N721-K776 PolarHBondContact OD1-O 2.91Å
722Y69.6Low72.9Confident64 Ų6474.7 Ų74.725%0.25137%0.369SS..  trans-130.8103.7175.5-68.4-84.6000110.5N724 F725 I768 I773 L775Y722-N724 VanDerWaalsContact C-N 3.32Å; Y722-N724 PolarHBondContact O-N 3.28Å; Y722-F725 WeakPolarHBondContact O-CB 3.4Å; Y722-F725 PolarHBondContact O-N 2.79Å; Y722-I768 HydrophobicContact CE1-CD1 4.03Å; Y722-I773 HydrophobicContact CE2-CG2 3.77Å; Y722-L775 HydrophobicContact CD2-CD2 3.32Å; Y722-L775 HydrophobicContact CE2-CD2 3.71Å; Y722-L775 HydrophobicContact CG-CD2 4.22Å
723E63.7Low72.8Confident198 Ų19874 Ų7493%0.92537%0.366SS*.THydrogen-bonded Turntrans-67.1-29.1-176.3-65.7-175.2162.900113.6
724N63Low72.9Confident160 Ų16073.1 Ų73.186%0.85636%0.362SS*.THydrogen-bonded Turntrans-97.317.6-178.6-67.2-25000113.1Y722 D726Y722-N724 VanDerWaalsContact C-N 3.32Å; Y722-N724 PolarHBondContact O-N 3.28Å; N724-D726 PolarHBondContact O-N 2.99Å
725F65.1Low73.4Confident16 Ų1668.8 Ų68.87%0.0734%0.344CS..  trans-73.2123.9-179.6-163.6-75.5000110.4Y722 E727 F730 I762 M766 L775Y722-F725 WeakPolarHBondContact O-CB 3.4Å; Y722-F725 PolarHBondContact O-N 2.79Å; F725-E727 PolarHBondContact O-N 2.94Å; F725-E727 VanDerWaalsContact O-N 3.09Å; F725-F730 AromaticContact CD1-CE1 3.86Å; F725-F730 HydrophobicContact CD1-CE1 3.86Å; F725-F730 AromaticContact CE1-CD1 3.49Å; F725-F730 HydrophobicContact CE1-CD1 3.49Å; F725-F730 VanDerWaalsContact CE1-CD1 3.49Å; F725-F730 AromaticContact CE1-CE1 3.12Å; F725-F730 HydrophobicContact CE1-CE1 3.12Å; F725-F730 HydrophobicContact CE1-CZ 4.17Å; F725-F730 HydrophobicContact CE2-CE1 4.47Å; F725-F730 AromaticContact CZ-CD1 3.69Å; F725-F730 HydrophobicContact CZ-CD1 3.69Å; F725-F730 AromaticContact CZ-CE1 3.52Å; F725-F730 HydrophobicContact CZ-CE1 3.52Å; F725-I762 HydrophobicContact CE2-CG2 4.31Å; F725-M766 HydrophobicContact CB-CE 3.96Å; F725-M766 HydrophobicContact CD1-CE 4.39Å; F725-M766 HydrophobicContact CD2-CE 2.97Å; F725-M766 HydrophobicContact CD2-SD 3.92Å; F725-M766 HydrophobicContact CE2-CE 3.3Å; F725-M766 HydrophobicContact CE2-SD 4.11Å; F725-M766 HydrophobicContact CG-CE 3.55Å; F725-M766 HydrophobicContact CZ-CE 4.15Å; F725-L775 HydrophobicContact CD2-CD1 3.76Å; F725-L775 HydrophobicContact CD2-CD2 3.64Å; F725-L775 HydrophobicContact CD2-CG 4.39Å; F725-L775 HydrophobicContact CE1-CD1 4.09Å; F725-L775 HydrophobicContact CE2-CD1 3.22Å; F725-L775 HydrophobicContact CE2-CD2 3.74Å; F725-L775 HydrophobicContact CE2-CG 4.08Å; F725-L775 HydrophobicContact CG-CD1 4.46Å; F725-L775 HydrophobicContact CZ-CD1 3.41Å; F725-L775 VanDerWaalsContact CZ-CD1 3.41Å
726D68Low74.2Confident64 Ų6465.3 Ų65.334%0.34233%0.326SS..  trans-68.8105175.1179.19.6000108.8N724 N728 S729 K765N724-D726 PolarHBondContact O-N 2.99Å; D726-N728 PolarHBondContact O-N 3Å; D726-N728 WeakPolarHBondContact OD1-CB 3.39Å; D726-N728 PolarHBondContact OD1-N 3.17Å; D726-N728 PolarHBondContact OD1-ND2 3.15Å; D726-S729 WeakPolarHBondContact O-CB 3.39Å; D726-S729 PolarHBondContact O-N 2.96Å; D726-S729 PolarHBondContact O-OG 2.99Å; D726-K765 IonicContact OD2-NZ 3.66Å
727E65.4Low75.2Confident135 Ų13562.5 Ų62.563%0.63132%0.316SS*.G310 helixtrans-55.3-17.6-179.4-67.2179.7173.500112.7F725 S729F725-E727 PolarHBondContact O-N 2.94Å; F725-E727 VanDerWaalsContact O-N 3.09Å; E727-S729 VanDerWaalsContact C-N 3.33Å; E727-S729 PolarHBondContact O-N 2.85Å
728N68.9Low76.1Confident124 Ų12461.7 Ų61.766%0.66331%0.312SS*.G310 helixtrans-81.4-5.3176.1-55.7-60.5000114.6D726 F730 N756D726-N728 PolarHBondContact O-N 3Å; D726-N728 WeakPolarHBondContact OD1-CB 3.39Å; D726-N728 PolarHBondContact OD1-N 3.17Å; D726-N728 PolarHBondContact OD1-ND2 3.15Å; N728-F730 VanDerWaalsContact C-N 3.28Å; N728-F730 PolarHBondContact O-N 3.46Å; N728-N756 PolarHBondContact O-ND2 3.15Å
729S70.3Confident77.1Confident4 Ų455.4 Ų55.43%0.02829%0.285CS..G310 helixtrans-70.5-27.6-175-48.50000112.6D726 E727 N756D726-S729 WeakPolarHBondContact O-CB 3.39Å; D726-S729 PolarHBondContact O-N 2.96Å; D726-S729 PolarHBondContact O-OG 2.99Å; E727-S729 VanDerWaalsContact C-N 3.33Å; E727-S729 PolarHBondContact O-N 2.85Å; S729-N756 PolarHBondContact O-N 3.23Å
730F76.3Confident78Confident16 Ų1655.6 Ų55.67%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-145.4159.8175.563.7-100.5000109.8M717 F725 N728 I732 E754 T755 L775 I797 F799M717-F730 HydrophobicContact CE-CE2 4.14Å; M717-F730 HydrophobicContact CE-CZ 4.01Å; M717-F730 HydrophobicContact SD-CD2 4.47Å; M717-F730 HydrophobicContact SD-CE2 3.26Å; M717-F730 WeakPolarHBondContact SD-CE2 3.25Å; M717-F730 HydrophobicContact SD-CZ 3.57Å; M717-F730 VanDerWaalsContact SD-CZ 3.57Å; F725-F730 AromaticContact CD1-CE1 3.86Å; F725-F730 HydrophobicContact CD1-CE1 3.86Å; F725-F730 AromaticContact CE1-CD1 3.49Å; F725-F730 HydrophobicContact CE1-CD1 3.49Å; F725-F730 VanDerWaalsContact CE1-CD1 3.49Å; F725-F730 AromaticContact CE1-CE1 3.12Å; F725-F730 HydrophobicContact CE1-CE1 3.12Å; F725-F730 HydrophobicContact CE1-CZ 4.17Å; F725-F730 HydrophobicContact CE2-CE1 4.47Å; F725-F730 AromaticContact CZ-CD1 3.69Å; F725-F730 HydrophobicContact CZ-CD1 3.69Å; F725-F730 AromaticContact CZ-CE1 3.52Å; F725-F730 HydrophobicContact CZ-CE1 3.52Å; N728-F730 VanDerWaalsContact C-N 3.28Å; N728-F730 PolarHBondContact O-N 3.46Å; F730-I732 HydrophobicContact CD2-CG1 4.18Å; F730-I732 HydrophobicContact CE2-CD1 4.33Å; F730-I732 HydrophobicContact CE2-CG1 4.24Å; F730-E754 CarbonylContact C-O 3.58Å; F730-E754 WeakPolarHBondContact CA-O 3.49Å; F730-E754 WeakPolarHBondContact CB-O 3.46Å; F730-T755 HydrophobicContact CB-CG2 4.07Å; F730-L775 HydrophobicContact CD1-CD1 4.12Å; F730-L775 HydrophobicContact CE1-CD1 3.46Å; F730-L775 VanDerWaalsContact CE1-CD1 3.46Å; F730-L775 HydrophobicContact CZ-CD1 4.31Å; F730-I797 HydrophobicContact CD1-CD1 4.42Å; F730-I797 HydrophobicContact CD2-CD1 3.81Å; F730-I797 HydrophobicContact CE1-CD1 4.29Å; F730-I797 HydrophobicContact CE2-CD1 3.75Å; F730-I797 HydrophobicContact CG-CD1 4.19Å; F730-I797 HydrophobicContact CZ-CD1 3.99Å; F730-F799 HydrophobicContact CD1-CE2 4.47Å; F730-F799 HydrophobicContact CD1-CZ 4.25Å
731N79.7Confident78.8Confident45 Ų4550.7 Ų50.724%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-129.7128.9-179.7-174.612000109.2Q733 E754N731-Q733 PolarHBondContact ND2-NE2 2.87Å; N731-E754 HydrophobicContact CB-CB 4.43Å; N731-E754 PolarHBondContact N-O 2.54Å; N731-E754 PolarHBondContact O-N 3.31Å
732I86Confident79.6Confident4 Ų451.2 Ų51.22%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-105119.8175-58.4-175.4000108.1F686 H713 N715 M717 F730 L734 F751 R752 I795 I797F686-I732 HydrophobicContact CE2-CD1 4.36Å; H713-I732 PolarHBondContact CE1-O 3.16Å; N715-I732 PolarHBondContact OD1-O 2.89Å; M717-I732 HydrophobicContact CE-CD1 4.03Å; M717-I732 HydrophobicContact CG-CD1 4.46Å; M717-I732 HydrophobicContact SD-CD1 3.35Å; M717-I732 WeakPolarHBondContact SD-CD1 3.27Å; M717-I732 HydrophobicContact SD-CG1 4.22Å; F730-I732 HydrophobicContact CD2-CG1 4.18Å; F730-I732 HydrophobicContact CE2-CD1 4.33Å; F730-I732 HydrophobicContact CE2-CG1 4.24Å; I732-L734 HydrophobicContact CG2-CD1 4.47Å; I732-F751 HydrophobicContact CG2-CD1 4.31Å; I732-R752 CarbonylContact C-O 3.56Å; I732-R752 VanDerWaalsContact CA-O 3.32Å; I732-R752 WeakPolarHBondContact CA-O 3.41Å; I732-I795 HydrophobicContact CD1-CD1 3.55Å; I732-I795 HydrophobicContact CD1-CG2 3.91Å; I732-I795 HydrophobicContact CG2-CD1 4.07Å; I732-I797 HydrophobicContact CD1-CD1 4.12Å
733Q86.1Confident80.5Confident42 Ų4250 Ų5020%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-115.3140.3178.3-62.5175.28.400110.3N731 F751 R752N731-Q733 PolarHBondContact ND2-NE2 2.87Å; Q733-F751 CarbonylContact O-C 3.55Å; Q733-F751 WeakPolarHBondContact O-CA 2.96Å; Q733-R752 HydrophobicContact CB-CB 4.39Å; Q733-R752 PolarHBondContact N-O 3.05Å; Q733-R752 PolarHBondContact O-N 2.97Å
734L89.8Confident81.8Confident6 Ų644.1 Ų44.13%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-97.2136.2167.6-83.160.2000109.1H713 I732 P736 S737 I749 F751 E779 V781H713-L734 HydrophobicContact CB-CB 4.02Å; H713-L734 HydrophobicContact CB-CD2 4.05Å; H713-L734 HydrophobicContact CB-CG 4.45Å; I732-L734 HydrophobicContact CG2-CD1 4.47Å; L734-P736 CarbonylContact C-O 3.55Å; L734-P736 CarbonylContact O-C 3.48Å; L734-S737 VanDerWaalsContact O-CA 3.23Å; L734-S737 WeakPolarHBondContact O-CA 3.4Å; L734-S737 PolarHBondContact O-N 2.85Å; L734-I749 HydrophobicContact CB-CG2 4.17Å; L734-I749 HydrophobicContact CD2-CG2 4.27Å; L734-I749 HydrophobicContact CG-CG2 4.06Å; L734-F751 HydrophobicContact CD1-CD1 3.58Å; L734-F751 HydrophobicContact CD1-CE1 3.37Å; L734-F751 HydrophobicContact CD1-CG 4.39Å; L734-F751 HydrophobicContact CD1-CZ 4.02Å; L734-F751 HydrophobicContact CD2-CE1 4.11Å; L734-F751 HydrophobicContact CD2-CZ 3.93Å; L734-F751 HydrophobicContact CG-CD1 4.1Å; L734-F751 HydrophobicContact CG-CE1 3.74Å; L734-F751 HydrophobicContact CG-CE2 4.32Å; L734-F751 HydrophobicContact CG-CZ 3.84Å; L734-E779 HydrophobicContact CD1-CG 4.48Å; L734-V781 HydrophobicContact CD2-CG2 3.59Å
735I89.3Confident83.1Confident8 Ų837 Ų374%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-125108.9-177.4-51.5176.2000108.6Y494 S495 M498 V750 R752Y494-I735 HydrophobicContact CD1-CG2 4.07Å; Y494-I735 HydrophobicContact CE1-CB 4.29Å; Y494-I735 HydrophobicContact CE1-CG2 3.56Å; S495-I735 VanDerWaalsContact OG-CD1 3.26Å; S495-I735 WeakPolarHBondContact OG-CD1 3.32Å; M498-I735 HydrophobicContact CB-CG2 3.61Å; M498-I735 HydrophobicContact CG-CG2 3.89Å; I735-V750 HydrophobicContact CB-CB 4.35Å; I735-V750 PolarHBondContact N-O 3.08Å; I735-V750 PolarHBondContact O-N 3.05Å; I735-R752 HydrophobicContact CD1-CB 4.07Å
736P88.9Confident84.5Confident21 Ų2138.5 Ų38.514%0.13621%0.212CC..SBendcis-72.4157.2-5.233.6-37.7000112.7L734 I738L734-P736 CarbonylContact C-O 3.55Å; L734-P736 CarbonylContact O-C 3.48Å; P736-I738 VanDerWaalsContact C-N 3.32Å
737S86.5Confident85.7Confident50 Ų5037 Ų3735%0.3520%0.202SC..SBendtrans-76.1-20.7-179.158.80000113.3H713 L734H713-S737 VanDerWaalsContact CB-O 3.3Å; H713-S737 WeakPolarHBondContact CB-O 3.5Å; H713-S737 PolarHBondContact N-O 2.95Å; L734-S737 VanDerWaalsContact O-CA 3.23Å; L734-S737 WeakPolarHBondContact O-CA 3.4Å; L734-S737 PolarHBondContact O-N 2.85Å
738I90.4Very high87.1Confident6 Ų630.7 Ų30.73%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-139.1139.9171.8-172.4170000108.8I516 Y662 L710 I711 Q712 P736I516-I738 HydrophobicContact CD1-CG2 4.22Å; I516-I738 HydrophobicContact CG2-CG2 3.37Å; Y662-I738 HydrophobicContact CD2-CD1 4.33Å; Y662-I738 HydrophobicContact CD2-CG2 3.87Å; Y662-I738 HydrophobicContact CE2-CG2 3.59Å; Y662-I738 HydrophobicContact CG-CD1 4.22Å; Y662-I738 PolarHBondContact OH-O 3.18Å; L710-I738 HydrophobicContact CD1-CD1 4.16Å; L710-I738 HydrophobicContact CD1-CG1 3.93Å; I711-I738 CarbonylContact O-C 3.5Å; I711-I738 VanDerWaalsContact O-CA 3.3Å; I711-I738 WeakPolarHBondContact O-CA 3.48Å; Q712-I738 HydrophobicContact CB-CD1 4.48Å; Q712-I738 HydrophobicContact CB-CG1 4.26Å; Q712-I738 HydrophobicContact CG-CB 4.44Å; Q712-I738 HydrophobicContact CG-CD1 4.27Å; Q712-I738 HydrophobicContact CG-CG1 4.33Å; P736-I738 VanDerWaalsContact C-N 3.32Å
739T90.8Very high88.1Confident5 Ų524.9 Ų24.93%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-154.5145.3176.4-174.90000111I711 I741 K747 I749I711-T739 HydrophobicContact CB-CG2 4.05Å; I711-T739 PolarHBondContact N-O 3.15Å; I711-T739 PolarHBondContact O-N 3.15Å; T739-I741 HydrophobicContact CG2-CG1 4.29Å; T739-K747 HydrophobicContact CG2-CG 4.29Å; T739-K747 VanDerWaalsContact OG1-CE 3.26Å; T739-K747 WeakPolarHBondContact OG1-CE 3.24Å; T739-I749 HydrophobicContact CG2-CD1 4.24Å
740L91.6Very high89.1Confident31 Ų3124.7 Ų24.716%0.16214%0.141CC..EExtended strand (participates in β ladder)trans-102.3117.2171.1-170.171000108.5Y626 H628 Y662 P708 L710 P742Y626-L740 HydrophobicContact CD1-CD1 4.48Å; Y626-L740 HydrophobicContact CD2-CD1 4.43Å; Y626-L740 HydrophobicContact CG-CD1 4.05Å; H628-L740 HydrophobicContact CB-CB 4.39Å; H628-L740 HydrophobicContact CB-CD2 3.83Å; Y662-L740 HydrophobicContact CE1-CB 4.21Å; P708-L740 HydrophobicContact CB-CD1 4Å; P708-L740 HydrophobicContact CB-CD2 4.39Å; P708-L740 HydrophobicContact CB-CG 4.14Å; L710-L740 HydrophobicContact CB-CD1 3.87Å; L710-L740 HydrophobicContact CD1-CB 4.39Å; L710-L740 HydrophobicContact CD1-CD1 4.09Å; L740-P742 WeakPolarHBondContact O-CD 3.43Å
741I91.6Very high89.8Confident1 Ų124 Ų241%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-95.7116.5178.7-53.2179.2000108.3F701 N703 P708 L709 I711 T739 S745 K747F701-I741 HydrophobicContact CB-CD1 3.85Å; F701-I741 HydrophobicContact CG-CD1 4.45Å; N703-I741 HydrophobicContact CB-CB 4.38Å; N703-I741 HydrophobicContact CB-CG2 3.68Å; N703-I741 PolarHBondContact ND2-O 2.93Å; P708-I741 CarbonylContact C-O 3.42Å; P708-I741 WeakPolarHBondContact CA-O 3.49Å; L709-I741 HydrophobicContact CB-CB 4.33Å; L709-I741 PolarHBondContact N-O 2.94Å; L709-I741 PolarHBondContact O-N 3.47Å; I711-I741 HydrophobicContact CD1-CD1 3.43Å; I711-I741 VanDerWaalsContact CD1-CD1 3.43Å; I711-I741 HydrophobicContact CD1-CG1 4.45Å; I711-I741 HydrophobicContact CG1-CD1 4.03Å; T739-I741 HydrophobicContact CG2-CG1 4.29Å; I741-S745 WeakPolarHBondContact CG2-OG 3.25Å; I741-K747 HydrophobicContact CD1-CB 3.55Å; I741-K747 HydrophobicContact CD1-CG 4.04Å; I741-K747 HydrophobicContact CG1-CB 3.78Å; I741-K747 HydrophobicContact CG1-CD 4.47Å; I741-K747 HydrophobicContact CG1-CG 4.03Å; I741-K747 HydrophobicContact CG2-CB 4.29Å
742P89.7Confident90.3Very high76 Ų7622.6 Ų22.649%0.49413%0.129SC..PPolyproline II helixtrans-56.8163.3176.2-24.933.4000113.7N703 L740 S745N703-P742 PolarHBondContact ND2-O 3.04Å; L740-P742 WeakPolarHBondContact O-CD 3.43Å; P742-S745 WeakPolarHBondContact CB-OG 3.44Å; P742-S745 VanDerWaalsContact CD-OG 3.27Å; P742-S745 WeakPolarHBondContact CD-OG 3.44Å; P742-S745 PolarHBondContact O-OG 3.07Å
743A89Confident90.4Very high39 Ų3922.4 Ų22.432%0.32213%0.128SC..THydrogen-bonded Turntrans-57.8140.9172.900000111.2S705 E706 S745S705-A743 WeakPolarHBondContact O-CA 3.38Å; S705-A743 WeakPolarHBondContact O-CB 3.49Å; E706-A743 VanDerWaalsContact C-CB 3.46Å; A743-S745 VanDerWaalsContact C-N 3.25Å; A743-S745 PolarHBondContact O-N 3.23Å
744N90.6Very high90.2Very high74 Ų7422.7 Ų22.740%0.39613%0.129SC..THydrogen-bonded Turntrans51.538.4176.8-64.6-40.4000114.6N703 S705 E706N703-N744 WeakPolarHBondContact O-CA 3.24Å; N703-N744 PolarHBondContact O-N 3.08Å; N703-N744 VanDerWaalsContact O-N 3.14Å; S705-N744 PolarHBondContact O-N 2.67Å; E706-N744 PolarHBondContact OE1-ND2 3.21Å
745S91.8Very high89.7Confident10 Ų1022.7 Ų22.77%0.0713%0.129CC..  trans-130.7162.3-175.873.20000113.5Y702 N703 I741 P742 A743Y702-S745 WeakPolarHBondContact CD2-O 3.44Å; N703-S745 PolarHBondContact N-O 2.79Å; I741-S745 WeakPolarHBondContact CG2-OG 3.25Å; P742-S745 WeakPolarHBondContact CB-OG 3.44Å; P742-S745 VanDerWaalsContact CD-OG 3.27Å; P742-S745 WeakPolarHBondContact CD-OG 3.44Å; P742-S745 PolarHBondContact O-OG 3.07Å; A743-S745 VanDerWaalsContact C-N 3.25Å; A743-S745 PolarHBondContact O-N 3.23Å
746Y94.2Very high88.9Confident48 Ų4827.2 Ų27.219%0.18815%0.154CC..EExtended strand (participates in β ladder)trans-106.3148-178.4-65.6-96.3000111.5V368 N402 I404 F701 Y702V368-Y746 HydrophobicContact CG1-CD1 3.9Å; V368-Y746 HydrophobicContact CG1-CG 4.13Å; V368-Y746 HydrophobicContact CG2-CD1 3.89Å; V368-Y746 HydrophobicContact CG2-CE1 4.16Å; N402-Y746 WeakPolarHBondContact CB-O 3.45Å; N402-Y746 PolarHBondContact OD1-N 2.77Å; N402-Y746 PolarHBondContact OD1-O 2.8Å; I404-Y746 HydrophobicContact CD1-CE1 4.16Å; I404-Y746 WeakPolarHBondContact CD1-OH 3.35Å; I404-Y746 HydrophobicContact CG1-CE1 4.06Å; I404-Y746 HydrophobicContact CG1-CE2 4.38Å; F701-Y746 CarbonylContact O-C 3.49Å; F701-Y746 VanDerWaalsContact O-CA 3.31Å; F701-Y746 WeakPolarHBondContact O-CA 3.49Å; Y702-Y746 HydrophobicContact CD1-CE1 4.27Å; Y702-Y746 AromaticContact CD2-CD1 3.85Å; Y702-Y746 HydrophobicContact CD2-CD1 3.85Å; Y702-Y746 AromaticContact CD2-CD2 3.91Å; Y702-Y746 HydrophobicContact CD2-CD2 3.91Å; Y702-Y746 AromaticContact CD2-CE1 3.54Å; Y702-Y746 HydrophobicContact CD2-CE1 3.54Å; Y702-Y746 AromaticContact CD2-CE2 3.6Å; Y702-Y746 HydrophobicContact CD2-CE2 3.6Å; Y702-Y746 HydrophobicContact CD2-CG 4.02Å; Y702-Y746 AromaticContact CD2-CZ 3.39Å; Y702-Y746 HydrophobicContact CE2-CD2 4.27Å; Y702-Y746 HydrophobicContact CE2-CE1 4.31Å; Y702-Y746 AromaticContact CE2-CE2 3.69Å; Y702-Y746 HydrophobicContact CE2-CE2 3.69Å; Y702-Y746 AromaticContact CE2-CZ 3.7Å; Y702-Y746 HydrophobicContact CG-CD1 4.04Å; Y702-Y746 AromaticContact CG-CE1 3.54Å; Y702-Y746 HydrophobicContact CG-CE1 3.54Å; Y702-Y746 HydrophobicContact CG-CE2 4.4Å; Y702-Y746 AromaticContact CG-CZ 3.74Å
747K93.6Very high88.1Confident33 Ų3328.2 Ų28.214%0.14316%0.156CC..EExtended strand (participates in β ladder)trans-139.2137.7175.3-170.677.8-169.51770109.8E370 S700 F701 T739 I741 I749E370-K747 WeakPolarHBondContact OE1-CD 3.22Å; E370-K747 WeakPolarHBondContact OE1-CE 3.36Å; E370-K747 IonicContact OE1-NZ 2.65Å; E370-K747 PolarHBondContact OE1-NZ 3.45Å; E370-K747 WeakPolarHBondContact OE2-CA 3.43Å; E370-K747 WeakPolarHBondContact OE2-CD 3.22Å; E370-K747 IonicContact OE2-NZ 3.96Å; S700-K747 CarbonylContact C-O 3.57Å; S700-K747 VanDerWaalsContact CA-O 3.27Å; S700-K747 WeakPolarHBondContact CA-O 3.34Å; F701-K747 HydrophobicContact CB-CB 4.46Å; F701-K747 PolarHBondContact N-O 2.72Å; F701-K747 PolarHBondContact O-N 3.37Å; T739-K747 HydrophobicContact CG2-CG 4.29Å; T739-K747 VanDerWaalsContact OG1-CE 3.26Å; T739-K747 WeakPolarHBondContact OG1-CE 3.24Å; I741-K747 HydrophobicContact CD1-CB 3.55Å; I741-K747 HydrophobicContact CD1-CG 4.04Å; I741-K747 HydrophobicContact CG1-CB 3.78Å; I741-K747 HydrophobicContact CG1-CD 4.47Å; I741-K747 HydrophobicContact CG1-CG 4.03Å; I741-K747 HydrophobicContact CG2-CB 4.29Å; K747-I749 HydrophobicContact CG-CG1 4.29Å
748V93.3Very high87.4Confident2 Ų226.9 Ų26.91%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-101.9127.8170.3-178.50000108.5V368 E370 L432 I699V368-V748 HydrophobicContact CG1-CG2 4.27Å; E370-V748 HydrophobicContact CB-CB 4.32Å; E370-V748 HydrophobicContact CB-CG2 3.97Å; E370-V748 PolarHBondContact OE2-N 2.86Å; L432-V748 HydrophobicContact CB-CB 3.94Å; L432-V748 HydrophobicContact CB-CG1 3.99Å; L432-V748 HydrophobicContact CB-CG2 4.36Å; L432-V748 HydrophobicContact CD1-CB 4.29Å; I699-V748 WeakPolarHBondContact O-CA 3.14Å
749I90.9Very high86.5Confident1 Ų127 Ų271%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-114.5129.7175.3-58.3-169.7000108.3S698 I699 F701 I711 L734 T739 K747 F751S698-I749 WeakPolarHBondContact CA-O 3.43Å; I699-I749 HydrophobicContact CG2-CB 4.27Å; I699-I749 PolarHBondContact N-O 2.86Å; I699-I749 PolarHBondContact O-N 2.89Å; F701-I749 HydrophobicContact CD2-CB 4.38Å; F701-I749 HydrophobicContact CD2-CD1 3.67Å; F701-I749 HydrophobicContact CD2-CG1 3.85Å; F701-I749 HydrophobicContact CE2-CB 4.14Å; F701-I749 HydrophobicContact CE2-CD1 3.46Å; F701-I749 VanDerWaalsContact CE2-CD1 3.46Å; F701-I749 HydrophobicContact CE2-CG1 3.91Å; F701-I749 HydrophobicContact CZ-CD1 4.19Å; I711-I749 HydrophobicContact CD1-CD1 4.35Å; I711-I749 HydrophobicContact CG2-CD1 4.11Å; L734-I749 HydrophobicContact CB-CG2 4.17Å; L734-I749 HydrophobicContact CD2-CG2 4.27Å; L734-I749 HydrophobicContact CG-CG2 4.06Å; T739-I749 HydrophobicContact CG2-CD1 4.24Å; K747-I749 HydrophobicContact CG-CG1 4.29Å; I749-F751 HydrophobicContact CB-CE2 4.44Å; I749-F751 HydrophobicContact CG2-CD2 4.36Å; I749-F751 HydrophobicContact CG2-CE2 3.95Å
750V91Very high85.5Confident1 Ų127.9 Ų27.91%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-96.9129.4175.5179.10000108.7L432 Y491 Y494 Y696 I735L432-V750 HydrophobicContact CD2-CG2 4.39Å; Y491-V750 HydrophobicContact CD1-CG1 3.67Å; Y491-V750 HydrophobicContact CD1-CG2 4.27Å; Y491-V750 HydrophobicContact CE1-CG1 3.92Å; Y491-V750 HydrophobicContact CE1-CG2 4.04Å; Y494-V750 HydrophobicContact CD1-CG2 4.25Å; Y494-V750 HydrophobicContact CE1-CB 4.4Å; Y494-V750 HydrophobicContact CE1-CG2 3.99Å; Y696-V750 HydrophobicContact CD1-CG1 4.05Å; I735-V750 HydrophobicContact CB-CB 4.35Å; I735-V750 PolarHBondContact N-O 3.08Å; I735-V750 PolarHBondContact O-N 3.05Å
751F90.8Very high84.6Confident0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-97.8127.6172-73.8-107.3000107.9I684 F686 Y696 D697 I699 I732 Q733 L734 I749 I793 I795I684-F751 HydrophobicContact CD1-CD2 4.16Å; I684-F751 HydrophobicContact CD1-CE2 4.31Å; I684-F751 HydrophobicContact CG1-CD1 4.33Å; I684-F751 HydrophobicContact CG1-CD2 4.4Å; I684-F751 HydrophobicContact CG1-CE1 4.35Å; I684-F751 HydrophobicContact CG1-CE2 4.47Å; I684-F751 HydrophobicContact CG1-CG 4.37Å; I684-F751 HydrophobicContact CG1-CZ 4.44Å; I684-F751 HydrophobicContact CG2-CB 4.47Å; F686-F751 HydrophobicContact CE1-CB 4.11Å; F686-F751 HydrophobicContact CZ-CB 3.83Å; Y696-F751 VanDerWaalsContact CA-O 3.22Å; Y696-F751 WeakPolarHBondContact CA-O 3.36Å; D697-F751 PolarHBondContact N-O 2.86Å; D697-F751 PolarHBondContact O-N 2.93Å; I699-F751 HydrophobicContact CG2-CD2 4.31Å; I699-F751 HydrophobicContact CG2-CE2 3.6Å; I732-F751 HydrophobicContact CG2-CD1 4.31Å; Q733-F751 CarbonylContact O-C 3.55Å; Q733-F751 WeakPolarHBondContact O-CA 2.96Å; L734-F751 HydrophobicContact CD1-CD1 3.58Å; L734-F751 HydrophobicContact CD1-CE1 3.37Å; L734-F751 HydrophobicContact CD1-CG 4.39Å; L734-F751 HydrophobicContact CD1-CZ 4.02Å; L734-F751 HydrophobicContact CD2-CE1 4.11Å; L734-F751 HydrophobicContact CD2-CZ 3.93Å; L734-F751 HydrophobicContact CG-CD1 4.1Å; L734-F751 HydrophobicContact CG-CE1 3.74Å; L734-F751 HydrophobicContact CG-CE2 4.32Å; L734-F751 HydrophobicContact CG-CZ 3.84Å; I749-F751 HydrophobicContact CB-CE2 4.44Å; I749-F751 HydrophobicContact CG2-CD2 4.36Å; I749-F751 HydrophobicContact CG2-CE2 3.95Å; F751-I793 HydrophobicContact CE1-CD1 3.75Å; F751-I793 HydrophobicContact CZ-CD1 3.51Å; F751-I795 HydrophobicContact CD1-CD1 4.42Å
752R89.4Confident83.6Confident17 Ų1729.6 Ų29.66%0.06416%0.164CC..EExtended strand (participates in β ladder)trans-109.9125.7172.3174.7-178.8172.8167.5-7.5108.5S495 N694 K695 Y696 I732 Q733 I735 E754S495-R752 PolarHBondContact OG-NH1 3.31Å; N694-R752 PolarHBondContact ND2-NH2 2.79Å; N694-R752 VanDerWaalsContact ND2-NH2 3.19Å; K695-R752 CarbonylContact O-C 3.51Å; K695-R752 WeakPolarHBondContact O-CA 3.42Å; Y696-R752 HydrophobicContact CD1-CB 3.83Å; Y696-R752 HydrophobicContact CD1-CG 4.1Å; Y696-R752 HydrophobicContact CE1-CB 3.69Å; Y696-R752 HydrophobicContact CE1-CG 3.55Å; I732-R752 CarbonylContact C-O 3.56Å; I732-R752 VanDerWaalsContact CA-O 3.32Å; I732-R752 WeakPolarHBondContact CA-O 3.41Å; Q733-R752 HydrophobicContact CB-CB 4.39Å; Q733-R752 PolarHBondContact N-O 3.05Å; Q733-R752 PolarHBondContact O-N 2.97Å; I735-R752 HydrophobicContact CD1-CB 4.07Å; R752-E754 IonicContact CZ-OE1 3.02Å; R752-E754 IonicContact NH2-OE1 3.21Å; R752-E754 PolarHBondContact NH2-OE1 2.64Å; R752-E754 IonicContact NH2-OE2 2.81Å
753C88.5Confident82.7Confident0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-101.6116.1165.9-177.20000107.9F686 N694 K695F686-C753 HydrophobicContact CD1-CB 3.67Å; F686-C753 HydrophobicContact CD2-CB 3.99Å; F686-C753 HydrophobicContact CE1-CB 3.58Å; F686-C753 HydrophobicContact CE2-CB 3.89Å; F686-C753 HydrophobicContact CG-CB 3.85Å; F686-C753 HydrophobicContact CZ-CB 3.67Å; N694-C753 WeakPolarHBondContact CA-O 3.24Å; K695-C753 HydrophobicContact CB-CB 4.42Å; K695-C753 PolarHBondContact N-O 2.59Å; K695-C753 PolarHBondContact O-N 2.8Å
754E83.2Confident81.8Confident47 Ų4734.3 Ų34.322%0.2217%0.17CC..EExtended strand (participates in β ladder)trans-108.6129.8176.5174.1164.3-124.100109.4N694 F730 N731 R752N694-E754 WeakPolarHBondContact OD1-CA 3.39Å; N694-E754 WeakPolarHBondContact OD1-CB 3.33Å; N694-E754 WeakPolarHBondContact OD1-CG 3.41Å; F730-E754 CarbonylContact C-O 3.58Å; F730-E754 WeakPolarHBondContact CA-O 3.49Å; F730-E754 WeakPolarHBondContact CB-O 3.46Å; N731-E754 HydrophobicContact CB-CB 4.43Å; N731-E754 PolarHBondContact N-O 2.54Å; N731-E754 PolarHBondContact O-N 3.31Å; R752-E754 IonicContact CZ-OE1 3.02Å; R752-E754 IonicContact NH2-OE1 3.21Å; R752-E754 PolarHBondContact NH2-OE1 2.64Å; R752-E754 IonicContact NH2-OE2 2.81Å
755T79.3Confident80.8Confident7 Ų736.7 Ų36.74%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-115.7118.3-176.457.60000110.4I689 Y691 E693 F730 Q757 F799I689-T755 HydrophobicContact CD1-CG2 3.72Å; I689-T755 HydrophobicContact CG2-CG2 4.07Å; Y691-T755 PolarHBondContact O-OG1 3.3Å; E693-T755 PolarHBondContact N-OG1 2.87Å; E693-T755 PolarHBondContact O-OG1 2.71Å; E693-T755 VanDerWaalsContact O-OG1 3.13Å; F730-T755 HydrophobicContact CB-CG2 4.07Å; T755-Q757 VanDerWaalsContact C-N 3.32Å; T755-F799 HydrophobicContact CG2-CE1 3.94Å; T755-F799 HydrophobicContact CG2-CZ 4.1Å
756N72.8Confident79.6Confident102 Ų10238.5 Ų38.555%0.54519%0.185SC..SBendtrans-84.7-12.2-178.1-68-27000112.6N728 S729N728-N756 PolarHBondContact O-ND2 3.15Å; S729-N756 PolarHBondContact O-N 3.23Å
757Q71.9Confident78.3Confident42 Ų4240.4 Ų40.420%0.19621%0.21CC..SBendtrans-133.3142.2-173.6-53.7-151.7-68.900109.6T755 D761 I762T755-Q757 VanDerWaalsContact C-N 3.32Å; Q757-D761 HydrophobicContact CB-CB 4.1Å; Q757-I762 HydrophobicContact CB-CG1 4.2Å
758S70.9Confident76.9Confident23 Ų2340.3 Ų40.316%0.16121%0.211CC..  trans-71159.9172.471.10000110.1C692 A760 D761 I762C692-S758 PolarHBondContact SG-N 2.85Å; C692-S758 VanDerWaalsContact SG-N 3.41Å; S758-A760 PolarHBondContact O-N 2.8Å; S758-A760 PolarHBondContact OG-N 3.03Å; S758-D761 PolarHBondContact N-OD2 3.22Å; S758-D761 WeakPolarHBondContact O-CB 3.19Å; S758-D761 PolarHBondContact O-N 2.91Å; S758-D761 VanDerWaalsContact OG-CG 3.27Å; S758-D761 PolarHBondContact OG-N 2.77Å; S758-D761 PolarHBondContact OG-OD2 3.03Å; S758-I762 PolarHBondContact O-N 2.79Å; S758-I762 VanDerWaalsContact O-N 3.11Å
759Y71.7Confident75.5Confident8 Ų849.7 Ų49.73%0.03125%0.252CS..Hα-helixtrans-54.5-37.1172.3169.7-92000112.3E690 D761 I762 K763 E770 D771 I773 F799 I801E690-Y759 WeakPolarHBondContact O-CB 3.31Å; E690-Y759 PolarHBondContact O-N 2.95Å; E690-Y759 VanDerWaalsContact O-N 3.16Å; Y759-D761 VanDerWaalsContact C-N 3.25Å; Y759-D761 PolarHBondContact O-N 2.77Å; Y759-I762 PolarHBondContact O-N 3.07Å; Y759-K763 HydrophobicContact CD1-CB 4.48Å; Y759-K763 HydrophobicContact CE1-CB 4.13Å; Y759-K763 HydrophobicContact CE1-CD 3.61Å; Y759-K763 HydrophobicContact CE1-CG 4.41Å; Y759-K763 VanDerWaalsContact O-CB 3.32Å; Y759-K763 WeakPolarHBondContact O-CB 3.23Å; Y759-K763 PolarHBondContact O-N 2.98Å; Y759-K763 PolarHBondContact OH-NZ 2.92Å; Y759-E770 PolarHBondContact OH-O 2.69Å; Y759-D771 VanDerWaalsContact OH-C 3.29Å; Y759-D771 VanDerWaalsContact OH-CA 3.28Å; Y759-D771 WeakPolarHBondContact OH-CA 3.29Å; Y759-I773 HydrophobicContact CD2-CD1 4.48Å; Y759-I773 HydrophobicContact CE2-CD1 3.77Å; Y759-I773 HydrophobicContact CE2-CG1 4.04Å; Y759-F799 HydrophobicContact CD2-CB 3.82Å; Y759-F799 HydrophobicContact CE2-CB 4.42Å; Y759-I801 HydrophobicContact CD1-CB 4.47Å; Y759-I801 HydrophobicContact CD1-CG2 3.01Å; Y759-I801 HydrophobicContact CD2-CG2 4.44Å; Y759-I801 HydrophobicContact CE1-CB 4.42Å; Y759-I801 HydrophobicContact CE1-CD1 4.37Å; Y759-I801 HydrophobicContact CE1-CG1 4.46Å; Y759-I801 HydrophobicContact CE1-CG2 3.23Å; Y759-I801 HydrophobicContact CG-CG2 3.65Å
760A70.3Confident74.4Confident23 Ų2355.2 Ų55.219%0.1928%0.278CS..Hα-helixtrans-60.4-35.8178.600000112.3S758 K764S758-A760 PolarHBondContact O-N 2.8Å; S758-A760 PolarHBondContact OG-N 3.03Å; A760-K764 WeakPolarHBondContact O-CB 3.32Å; A760-K764 VanDerWaalsContact O-CG 3.31Å; A760-K764 WeakPolarHBondContact O-CG 3.42Å; A760-K764 PolarHBondContact O-N 3Å; A760-K764 VanDerWaalsContact O-N 3.09Å
761D72.7Confident73.3Confident65 Ų6558.7 Ų58.735%0.34830%0.296SS..Hα-helixtrans-73.4-41.7176.5-59.5-47.6000111.6Q757 S758 Y759 K764 K765Q757-D761 HydrophobicContact CB-CB 4.1Å; S758-D761 PolarHBondContact N-OD2 3.22Å; S758-D761 WeakPolarHBondContact O-CB 3.19Å; S758-D761 PolarHBondContact O-N 2.91Å; S758-D761 VanDerWaalsContact OG-CG 3.27Å; S758-D761 PolarHBondContact OG-N 2.77Å; S758-D761 PolarHBondContact OG-OD2 3.03Å; Y759-D761 VanDerWaalsContact C-N 3.25Å; Y759-D761 PolarHBondContact O-N 2.77Å; D761-K764 PolarHBondContact O-N 2.68Å; D761-K765 PolarHBondContact O-N 2.63Å
762I69.9Low72.3Confident3 Ų361.9 Ų61.92%0.01531%0.311CS..Hα-helixtrans-60.8-48.2175.1-62.9171.3000109.9F725 Q757 S758 Y759 K764 K765 M766 F799F725-I762 HydrophobicContact CE2-CG2 4.31Å; Q757-I762 HydrophobicContact CB-CG1 4.2Å; S758-I762 PolarHBondContact O-N 2.79Å; S758-I762 VanDerWaalsContact O-N 3.11Å; Y759-I762 PolarHBondContact O-N 3.07Å; I762-K764 PolarHBondContact O-N 3.23Å; I762-K765 PolarHBondContact O-N 3Å; I762-M766 HydrophobicContact CG2-CE 4.42Å; I762-M766 HydrophobicContact CG2-CG 4.49Å; I762-M766 HydrophobicContact CG2-SD 4.09Å; I762-M766 WeakPolarHBondContact O-CB 3.27Å; I762-M766 WeakPolarHBondContact O-CG 3.37Å; I762-M766 PolarHBondContact O-N 2.94Å; I762-F799 HydrophobicContact CD1-CD1 3.88Å; I762-F799 HydrophobicContact CD1-CE1 3.6Å; I762-F799 HydrophobicContact CD1-CG 4.49Å; I762-F799 HydrophobicContact CD1-CZ 4.01Å
763K70.4Confident71.6Confident49 Ų4961.1 Ų61.121%0.21331%0.308CS..Hα-helixtrans-59.7-44.4178.6-170.5173.6-172.2147.90111.9Y759 A767 I768 E770 D771Y759-K763 HydrophobicContact CD1-CB 4.48Å; Y759-K763 HydrophobicContact CE1-CB 4.13Å; Y759-K763 HydrophobicContact CE1-CD 3.61Å; Y759-K763 HydrophobicContact CE1-CG 4.41Å; Y759-K763 VanDerWaalsContact O-CB 3.32Å; Y759-K763 WeakPolarHBondContact O-CB 3.23Å; Y759-K763 PolarHBondContact O-N 2.98Å; Y759-K763 PolarHBondContact OH-NZ 2.92Å; K763-A767 PolarHBondContact O-N 2.63Å; K763-I768 VanDerWaalsContact CE-O 3.26Å; K763-I768 WeakPolarHBondContact CE-O 3.22Å; K763-I768 VanDerWaalsContact CG-O 3.25Å; K763-I768 WeakPolarHBondContact CG-O 3.49Å; K763-E770 WeakPolarHBondContact CE-O 3.34Å; K763-E770 PolarHBondContact NZ-O 3.43Å; K763-D771 IonicContact NZ-OD1 2.69Å; K763-D771 PolarHBondContact NZ-OD1 3.34Å
764K70.5Confident71.2Confident166 Ų16664.1 Ų64.172%0.72232%0.324SS*.Hα-helixtrans-62.3-45.2176.3-80.8174.7-175.7168.50112.4A760 D761 I762A760-K764 WeakPolarHBondContact O-CB 3.32Å; A760-K764 VanDerWaalsContact O-CG 3.31Å; A760-K764 WeakPolarHBondContact O-CG 3.42Å; A760-K764 PolarHBondContact O-N 3Å; A760-K764 VanDerWaalsContact O-N 3.09Å; D761-K764 PolarHBondContact O-N 2.68Å; I762-K764 PolarHBondContact O-N 3.23Å
765K69.1Low70.9Confident123 Ų12361.9 Ų61.954%0.53531%0.313SS..Hα-helixtrans-65.2-41.1178.7-83.7-177.5171.6179.90112.4D726 D761 I762D726-K765 IonicContact OD2-NZ 3.66Å; D761-K765 PolarHBondContact O-N 2.63Å; I762-K765 PolarHBondContact O-N 3Å
766M67.3Low71.2Confident48 Ų4865.9 Ų65.924%0.23633%0.33CS..Hα-helixtrans-87.8-8.2-174.7-64.5-165.9169.600114.8F725 I762 I768F725-M766 HydrophobicContact CB-CE 3.96Å; F725-M766 HydrophobicContact CD1-CE 4.39Å; F725-M766 HydrophobicContact CD2-CE 2.97Å; F725-M766 HydrophobicContact CD2-SD 3.92Å; F725-M766 HydrophobicContact CE2-CE 3.3Å; F725-M766 HydrophobicContact CE2-SD 4.11Å; F725-M766 HydrophobicContact CG-CE 3.55Å; F725-M766 HydrophobicContact CZ-CE 4.15Å; I762-M766 HydrophobicContact CG2-CE 4.42Å; I762-M766 HydrophobicContact CG2-CG 4.49Å; I762-M766 HydrophobicContact CG2-SD 4.09Å; I762-M766 WeakPolarHBondContact O-CB 3.27Å; I762-M766 WeakPolarHBondContact O-CG 3.37Å; I762-M766 PolarHBondContact O-N 2.94Å; M766-I768 HydrophobicContact CB-CB 4.48Å; M766-I768 HydrophobicContact CB-CD1 3.48Å; M766-I768 VanDerWaalsContact CB-CD1 3.48Å; M766-I768 HydrophobicContact CB-CG1 3.65Å; M766-I768 HydrophobicContact CG-CD1 4.19Å; M766-I768 PolarHBondContact O-N 3Å; M766-I768 VanDerWaalsContact O-N 3.16Å; M766-I768 HydrophobicContact SD-CD1 3.67Å
767A65.8Low71.6Confident88 Ų8861.1 Ų61.173%0.72730%0.304SS*.THydrogen-bonded Turntrans53.130.1-17400000113.7K763K763-A767 PolarHBondContact O-N 2.63Å
768I66.1Low72.2Confident31 Ų3161.2 Ų61.216%0.15931%0.306CS..  trans-79.5135.1179.3-66.1166.3000109.4Y722 K763 M766 E770 I773Y722-I768 HydrophobicContact CE1-CD1 4.03Å; K763-I768 VanDerWaalsContact CE-O 3.26Å; K763-I768 WeakPolarHBondContact CE-O 3.22Å; K763-I768 VanDerWaalsContact CG-O 3.25Å; K763-I768 WeakPolarHBondContact CG-O 3.49Å; M766-I768 HydrophobicContact CB-CB 4.48Å; M766-I768 HydrophobicContact CB-CD1 3.48Å; M766-I768 VanDerWaalsContact CB-CD1 3.48Å; M766-I768 HydrophobicContact CB-CG1 3.65Å; M766-I768 HydrophobicContact CG-CD1 4.19Å; M766-I768 PolarHBondContact O-N 3Å; M766-I768 VanDerWaalsContact O-N 3.16Å; M766-I768 HydrophobicContact SD-CD1 3.67Å; I768-E770 HydrophobicContact CG2-CB 3.83Å; I768-E770 HydrophobicContact CG2-CG 4.28Å; I768-I773 HydrophobicContact CB-CD1 4.39Å; I768-I773 HydrophobicContact CD1-CD1 3.68Å; I768-I773 HydrophobicContact CD1-CG1 4.36Å; I768-I773 HydrophobicContact CG2-CD1 4.17Å; I768-I773 HydrophobicContact CG2-CG1 4.3Å
769K63.7Low72.8Confident199 Ų19960.1 Ų60.187%0.86530%0.298SS*.  trans-91.3-17.7177.7-72.3-172.8178.7-179.10113.9
770E67.2Low73.5Confident118 Ų11860.7 Ų60.755%0.55130%0.302SS*.  trans-66.2152.1-178.9-62175.5175.900110.8Y759 K763 I768Y759-E770 PolarHBondContact OH-O 2.69Å; K763-E770 WeakPolarHBondContact CE-O 3.34Å; K763-E770 PolarHBondContact NZ-O 3.43Å; I768-E770 HydrophobicContact CG2-CB 3.83Å; I768-E770 HydrophobicContact CG2-CG 4.28Å
771D67.5Low74.2Confident74 Ų7459.7 Ų59.740%0.39629%0.293SS..SBendtrans-95.90.2179.9-73.2-19.1000112.8Y759 K763 I801 N803Y759-D771 VanDerWaalsContact OH-C 3.29Å; Y759-D771 VanDerWaalsContact OH-CA 3.28Å; Y759-D771 WeakPolarHBondContact OH-CA 3.29Å; K763-D771 IonicContact NZ-OD1 2.69Å; K763-D771 PolarHBondContact NZ-OD1 3.34Å; D771-I801 HydrophobicContact CB-CD1 4.11Å; D771-I801 HydrophobicContact CB-CG1 4.17Å; D771-I801 WeakPolarHBondContact O-CG1 3.18Å; D771-N803 PolarHBondContact OD2-ND2 2.97Å
772E70.6Confident75Confident66 Ų6656.7 Ų56.731%0.30828%0.277SS..EExtended strand (participates in β ladder)trans-143.3136.3179.9169.2177.4-175.600107.9I774 F799 T800E772-I774 HydrophobicContact CG-CG1 4.23Å; E772-I774 WeakPolarHBondContact OE1-CD1 3.48Å; E772-F799 CarbonylContact C-O 3.54Å; E772-F799 WeakPolarHBondContact CA-O 3.23Å; E772-T800 WeakPolarHBondContact CG-OG1 3.34Å
773I74.4Confident75.9Confident1 Ų157.5 Ų57.51%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-133104.7176.1-59.1169.5000107.7Y722 Y759 I768 L775 F799Y722-I773 HydrophobicContact CE2-CG2 3.77Å; Y759-I773 HydrophobicContact CD2-CD1 4.48Å; Y759-I773 HydrophobicContact CE2-CD1 3.77Å; Y759-I773 HydrophobicContact CE2-CG1 4.04Å; I768-I773 HydrophobicContact CB-CD1 4.39Å; I768-I773 HydrophobicContact CD1-CD1 3.68Å; I768-I773 HydrophobicContact CD1-CG1 4.36Å; I768-I773 HydrophobicContact CG2-CD1 4.17Å; I768-I773 HydrophobicContact CG2-CG1 4.3Å; I773-L775 HydrophobicContact CG2-CD2 3.69Å; I773-L775 HydrophobicContact CG2-CG 4.18Å; I773-L775 PolarHBondContact O-N 3.28Å; I773-F799 HydrophobicContact CB-CB 4.36Å; I773-F799 PolarHBondContact N-O 3.07Å; I773-F799 PolarHBondContact O-N 3.49Å
774I79.4Confident76.7Confident64 Ų6455.3 Ų55.333%0.32827%0.272SS..EExtended strand (participates in β ladder)trans-87.8106.4171-56.3174.4000107.8N721 E772 K776 E796 I797N721-I774 PolarHBondContact ND2-O 2.63Å; E772-I774 HydrophobicContact CG-CG1 4.23Å; E772-I774 WeakPolarHBondContact OE1-CD1 3.48Å; I774-K776 HydrophobicContact CG2-CG 4.25Å; I774-E796 HydrophobicContact CG2-CB 4.46Å; I774-I797 CarbonylContact C-O 3.58Å
775L78.3Confident77.2Confident0 Ų049.3 Ų49.30%025%0.246CC..EExtended strand (participates in β ladder)trans-81.1131.4170.5-60.7-176.2000109.9Y722 F725 F730 I773 E796 I797 F799Y722-L775 HydrophobicContact CD2-CD2 3.32Å; Y722-L775 HydrophobicContact CE2-CD2 3.71Å; Y722-L775 HydrophobicContact CG-CD2 4.22Å; F725-L775 HydrophobicContact CD2-CD1 3.76Å; F725-L775 HydrophobicContact CD2-CD2 3.64Å; F725-L775 HydrophobicContact CD2-CG 4.39Å; F725-L775 HydrophobicContact CE1-CD1 4.09Å; F725-L775 HydrophobicContact CE2-CD1 3.22Å; F725-L775 HydrophobicContact CE2-CD2 3.74Å; F725-L775 HydrophobicContact CE2-CG 4.08Å; F725-L775 HydrophobicContact CG-CD1 4.46Å; F725-L775 HydrophobicContact CZ-CD1 3.41Å; F725-L775 VanDerWaalsContact CZ-CD1 3.41Å; F730-L775 HydrophobicContact CD1-CD1 4.12Å; F730-L775 HydrophobicContact CE1-CD1 3.46Å; F730-L775 VanDerWaalsContact CE1-CD1 3.46Å; F730-L775 HydrophobicContact CZ-CD1 4.31Å; I773-L775 HydrophobicContact CG2-CD2 3.69Å; I773-L775 HydrophobicContact CG2-CG 4.18Å; I773-L775 PolarHBondContact O-N 3.28Å; L775-E796 CarbonylContact O-C 3.57Å; L775-E796 VanDerWaalsContact O-CA 3.29Å; L775-E796 WeakPolarHBondContact O-CA 3.48Å; L775-I797 HydrophobicContact CB-CB 4.39Å; L775-I797 PolarHBondContact N-O 2.77Å; L775-I797 PolarHBondContact O-N 2.8Å; L775-F799 HydrophobicContact CD1-CD2 3.97Å; L775-F799 HydrophobicContact CD1-CE2 3.47Å; L775-F799 VanDerWaalsContact CD1-CE2 3.47Å; L775-F799 HydrophobicContact CG-CD2 4.09Å; L775-F799 HydrophobicContact CG-CE2 4.06Å
776K83.8Confident77.9Confident91 Ų9146 Ų4640%0.39623%0.232SC..EExtended strand (participates in β ladder)trans-116.4125174.8-54.2-164.6-175.6-147.20108.1L720 N721 I774 I795 E796L720-K776 WeakPolarHBondContact CB-O 3.36Å; L720-K776 PolarHBondContact N-O 3.21Å; N721-K776 PolarHBondContact ND2-N 3.07Å; N721-K776 PolarHBondContact OD1-N 3.36Å; N721-K776 PolarHBondContact OD1-O 2.91Å; I774-K776 HydrophobicContact CG2-CG 4.25Å; K776-I795 WeakPolarHBondContact CA-O 3.48Å; K776-E796 HydrophobicContact CD-CG 4.49Å; K776-E796 WeakPolarHBondContact CD-OE1 3.19Å; K776-E796 VanDerWaalsContact CE-OE1 3.24Å; K776-E796 WeakPolarHBondContact CE-OE1 3.25Å; K776-E796 HydrophobicContact CG-CG 4.22Å; K776-E796 IonicContact NZ-OE1 3.57Å; K776-E796 PolarHBondContact NZ-OE1 2.89Å
777G82.6Confident78.5Confident1 Ų147.6 Ų47.61%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-138.6174.1176.900000112.9K718 P794 I795K718-G777 CarbonylContact O-C 3.55Å; K718-G777 WeakPolarHBondContact O-CA 3.45Å; G777-P794 WeakPolarHBondContact O-CA 3.44Å; G777-I795 PolarHBondContact N-O 2.75Å; G777-I795 PolarHBondContact O-N 2.98Å
778L83.4Confident79.3Confident44 Ų4450.3 Ų50.323%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-117.2116.8172.4-66.7169.8000108.6K718 L720 R792 I793 P794K718-L778 PolarHBondContact N-O 3.48Å; K718-L778 VanDerWaalsContact N-O 3.08Å; K718-L778 PolarHBondContact O-N 3.08Å; L720-L778 HydrophobicContact CD1-CD1 4.09Å; L720-L778 HydrophobicContact CD1-CD2 4.47Å; L720-L778 HydrophobicContact CD1-CG 3.87Å; L720-L778 HydrophobicContact CD2-CD1 3.99Å; L720-L778 HydrophobicContact CD2-CG 4.35Å; L720-L778 HydrophobicContact CG-CD1 4.42Å; L720-L778 HydrophobicContact CG-CG 4.28Å; L778-R792 HydrophobicContact CD2-CB 4.27Å; L778-I793 WeakPolarHBondContact CA-O 3.31Å; L778-P794 HydrophobicContact CD2-CB 4.44Å; L778-P794 HydrophobicContact CD2-CG 4.32Å
779E84.2Confident80.2Confident0 Ų050.4 Ų50.40%024%0.243CC..EExtended strand (participates in β ladder)trans-86.7136.8168.5-17057.3-143.200109.5H713 M717 L734 R792 I793 I795H713-E779 IonicContact CD2-OE1 3.08Å; H713-E779 PolarHBondContact CD2-OE1 2.87Å; H713-E779 IonicContact CE1-OE1 3.38Å; H713-E779 IonicContact NE2-OE1 2.93Å; H713-E779 PolarHBondContact NE2-OE1 3Å; M717-E779 VanDerWaalsContact CB-OE2 3.28Å; M717-E779 WeakPolarHBondContact CB-OE2 3.13Å; L734-E779 HydrophobicContact CD1-CG 4.48Å; E779-R792 WeakPolarHBondContact O-CA 3.37Å; E779-I793 HydrophobicContact CB-CB 4.27Å; E779-I793 PolarHBondContact N-O 2.83Å; E779-I793 PolarHBondContact O-N 2.87Å; E779-I795 HydrophobicContact CB-CD1 3.42Å; E779-I795 VanDerWaalsContact CB-CD1 3.42Å; E779-I795 HydrophobicContact CB-CG1 3.97Å; E779-I795 HydrophobicContact CG-CD1 4.09Å
780I85.3Confident81.3Confident21 Ų2142.8 Ų42.811%0.10821%0.21CC..EExtended strand (participates in β ladder)trans-106.3118.2-176.6-55.2-177.4000109.7K714 L716 E790K714-I780 HydrophobicContact CD-CG2 4.23Å; K714-I780 PolarHBondContact N-O 3.44Å; L716-I780 HydrophobicContact CD2-CD1 3.92Å; I780-E790 HydrophobicContact CG2-CB 3.95Å; I780-E790 HydrophobicContact CG2-CG 3.85Å
781V86.8Confident82.1Confident1 Ų139.9 Ų39.91%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-111.1122.3174.1176.40000108.7I711 L734 W791 I793I711-V781 HydrophobicContact CG2-CG1 3.33Å; L734-V781 HydrophobicContact CD2-CG2 3.59Å; V781-W791 HydrophobicContact CB-CE3 4.45Å; V781-W791 PolarHBondContact N-O 2.62Å; V781-W791 PolarHBondContact O-N 3.01Å; V781-I793 HydrophobicContact CB-CD1 4.4Å; V781-I793 HydrophobicContact CG2-CD1 3.52Å; V781-I793 HydrophobicContact CG2-CG1 4.28Å
782S88.1Confident83Confident2 Ų243.1 Ų43.11%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-84.7128.3178.1-1700000110.2Q712 K785Q712-S782 PolarHBondContact N-O 2.77Å; Q712-S782 PolarHBondContact O-N 2.62Å; S782-K785 WeakPolarHBondContact OG-CA 3.26Å
783M89.1Confident83.7Confident21 Ų2140 Ų4010%0.10319%0.186CC..EExtended strand (participates in β ladder)trans-99.2130.9168.1-64-178.8-71.500109.5P675 L709 L710 K785 Q786 Y789 W791P675-M783 HydrophobicContact CB-CB 4.11Å; P675-M783 HydrophobicContact CB-CE 4.48Å; P675-M783 HydrophobicContact CB-SD 3.96Å; P675-M783 HydrophobicContact CG-CB 3.89Å; P675-M783 HydrophobicContact CG-CE 3.97Å; P675-M783 HydrophobicContact CG-SD 4.07Å; L709-M783 HydrophobicContact CD1-CB 3.91Å; L709-M783 HydrophobicContact CD1-CG 4.16Å; L709-M783 HydrophobicContact CD1-SD 4.35Å; L710-M783 CarbonylContact O-C 3.58Å; L710-M783 WeakPolarHBondContact O-CA 3.06Å; M783-K785 PolarHBondContact O-N 2.64Å; M783-K785 VanDerWaalsContact O-N 3.07Å; M783-Q786 PolarHBondContact O-N 2.96Å; M783-Y789 WeakPolarHBondContact CB-O 3.44Å; M783-Y789 WeakPolarHBondContact CE-O 3.24Å; M783-Y789 PolarHBondContact N-O 3.47Å; M783-Y789 WeakPolarHBondContact O-CB 3.34Å; M783-W791 HydrophobicContact CE-CB 4.04Å
784N88.5Confident84.4Confident3 Ų342.3 Ų42.32%0.01620%0.202CC..THydrogen-bonded Turntrans56.226.1177.4-68.4-15.8000114.1Y626 P672 F673 L710 Q786 Y789Y626-N784 VanDerWaalsContact OH-CA 3.27Å; Y626-N784 WeakPolarHBondContact OH-CA 3.48Å; Y626-N784 WeakPolarHBondContact OH-CB 3.32Å; Y626-N784 PolarHBondContact OH-O 2.87Å; Y626-N784 PolarHBondContact OH-OD1 3.05Å; P672-N784 HydrophobicContact CB-CB 4Å; F673-N784 PolarHBondContact O-ND2 3.3Å; L710-N784 PolarHBondContact N-OD1 3.31Å; L710-N784 PolarHBondContact O-N 3.02Å; N784-Q786 PolarHBondContact O-N 3.08Å; N784-Q786 VanDerWaalsContact O-N 3.08Å; N784-Y789 HydrophobicContact CB-CD2 4.32Å
785K80.6Confident84.8Confident40 Ų4039.3 Ų39.317%0.17419%0.186CC..THydrogen-bonded Turntrans53.923.6-177.8-70.6177.8168.6-178.90114.5D518 T520 L710 S782 M783D518-K785 IonicContact OD1-NZ 3.95Å; D518-K785 PolarHBondContact OD1-NZ 3.29Å; D518-K785 VanDerWaalsContact OD2-CE 3.3Å; D518-K785 WeakPolarHBondContact OD2-CE 3.1Å; D518-K785 IonicContact OD2-NZ 3.82Å; D518-K785 PolarHBondContact OD2-NZ 3.22Å; T520-K785 PolarHBondContact O-NZ 3.2Å; L710-K785 HydrophobicContact CD2-CD 4.09Å; L710-K785 HydrophobicContact CD2-CG 4.03Å; S782-K785 WeakPolarHBondContact OG-CA 3.26Å; M783-K785 PolarHBondContact O-N 2.64Å; M783-K785 VanDerWaalsContact O-N 3.07Å
786Q83.2Confident85.2Confident52 Ų5241 Ų4124%0.24319%0.194CC..  trans-103.9130176.6-64-53.7-52.400110.5P672 M783 N784 E788 Y789P672-Q786 HydrophobicContact CG-CG 3.94Å; M783-Q786 PolarHBondContact O-N 2.96Å; N784-Q786 PolarHBondContact O-N 3.08Å; N784-Q786 VanDerWaalsContact O-N 3.08Å; Q786-E788 PolarHBondContact O-N 2.86Å; Q786-Y789 HydrophobicContact CB-CD2 3.58Å; Q786-Y789 HydrophobicContact CB-CE2 4.11Å; Q786-Y789 HydrophobicContact CB-CG 4.08Å; Q786-Y789 HydrophobicContact CG-CD2 3.9Å; Q786-Y789 HydrophobicContact CG-CE2 4.02Å; Q786-Y789 PolarHBondContact O-N 2.65Å; Q786-Y789 VanDerWaalsContact O-N 3.12Å
787P79.7Confident85.2Confident82 Ų8236.6 Ų36.653%0.53218%0.175SC..G310 helixtrans-58.2-32.4174-24.133.7000113.2Y789 E790P787-Y789 PolarHBondContact O-N 3.44Å; P787-E790 WeakPolarHBondContact O-CB 3.34Å; P787-E790 WeakPolarHBondContact O-CG 3.2Å; P787-E790 PolarHBondContact O-N 2.88Å
788E82.7Confident85.2Confident146 Ų14638 Ų3868%0.68218%0.182SC*.G310 helixtrans-66.7-22.7179.2-64.3167.8-169.800113.1Q671 Q786Q671-E788 PolarHBondContact NE2-OE2 3.22Å; Q786-E788 PolarHBondContact O-N 2.86Å
789Y86.1Confident85Confident32 Ų3236 Ų3613%0.12517%0.171CC..G310 helixtrans-107.822.9-179.3-54-29.9000111.9Q671 T674 P675 M783 N784 Q786 P787 W791Q671-Y789 HydrophobicContact CG-CE2 4.37Å; Q671-Y789 VanDerWaalsContact NE2-CZ 3.27Å; Q671-Y789 PolarHBondContact NE2-OH 2.56Å; T674-Y789 HydrophobicContact CG2-CE1 4.05Å; T674-Y789 PolarHBondContact OG1-OH 2.76Å; P675-Y789 HydrophobicContact CG-CD1 4.3Å; P675-Y789 HydrophobicContact CG-CD2 3.99Å; P675-Y789 HydrophobicContact CG-CG 3.78Å; M783-Y789 WeakPolarHBondContact CB-O 3.44Å; M783-Y789 WeakPolarHBondContact CE-O 3.24Å; M783-Y789 PolarHBondContact N-O 3.47Å; M783-Y789 WeakPolarHBondContact O-CB 3.34Å; N784-Y789 HydrophobicContact CB-CD2 4.32Å; Q786-Y789 HydrophobicContact CB-CD2 3.58Å; Q786-Y789 HydrophobicContact CB-CE2 4.11Å; Q786-Y789 HydrophobicContact CB-CG 4.08Å; Q786-Y789 HydrophobicContact CG-CD2 3.9Å; Q786-Y789 HydrophobicContact CG-CE2 4.02Å; Q786-Y789 PolarHBondContact O-N 2.65Å; Q786-Y789 VanDerWaalsContact O-N 3.12Å; P787-Y789 PolarHBondContact O-N 3.44Å; Y789-W791 PolarHBondContact O-N 3.14Å
790E86.7Confident84.8Confident40 Ų4036.4 Ų36.419%0.18717%0.174CC..EExtended strand (participates in β ladder)trans-69.7126.5173.8-77.1173.8-174.600111.2K714 I780 P787K714-E790 WeakPolarHBondContact CE-OE1 3.5Å; K714-E790 IonicContact NZ-OE1 2.91Å; K714-E790 PolarHBondContact NZ-OE1 2.75Å; I780-E790 HydrophobicContact CG2-CB 3.95Å; I780-E790 HydrophobicContact CG2-CG 3.85Å; P787-E790 WeakPolarHBondContact O-CB 3.34Å; P787-E790 WeakPolarHBondContact O-CG 3.2Å; P787-E790 PolarHBondContact O-N 2.88Å
791W83.2Confident84.7Confident56 Ų5636.6 Ų36.621%0.21218%0.175CC..EExtended strand (participates in β ladder)trans-94.6133.3170.8-174.651.9000110M679 I699 F701 V781 M783 Y789 I793M679-W791 HydrophobicContact CE-CE3 3.96Å; M679-W791 HydrophobicContact CE-CH2 3.02Å; M679-W791 HydrophobicContact CE-CZ2 3.81Å; M679-W791 HydrophobicContact CE-CZ3 3.07Å; M679-W791 HydrophobicContact SD-CD2 3.77Å; M679-W791 VanDerWaalsContact SD-CE2 3.57Å; M679-W791 HydrophobicContact SD-CE3 3.58Å; M679-W791 VanDerWaalsContact SD-CE3 3.58Å; M679-W791 HydrophobicContact SD-CH2 3.17Å; M679-W791 WeakPolarHBondContact SD-CH2 3.34Å; M679-W791 HydrophobicContact SD-CZ2 3.32Å; M679-W791 WeakPolarHBondContact SD-CZ2 3.25Å; M679-W791 HydrophobicContact SD-CZ3 3.26Å; M679-W791 WeakPolarHBondContact SD-CZ3 3.3Å; I699-W791 HydrophobicContact CD1-CH2 4.3Å; F701-W791 HydrophobicContact CE1-CE3 4.1Å; F701-W791 HydrophobicContact CE1-CZ3 4.09Å; F701-W791 HydrophobicContact CZ-CE3 4Å; F701-W791 AromaticContact CZ-CZ3 3.67Å; F701-W791 HydrophobicContact CZ-CZ3 3.67Å; V781-W791 HydrophobicContact CB-CE3 4.45Å; V781-W791 PolarHBondContact N-O 2.62Å; V781-W791 PolarHBondContact O-N 3.01Å; M783-W791 HydrophobicContact CE-CB 4.04Å; Y789-W791 PolarHBondContact O-N 3.14Å; W791-I793 HydrophobicContact CD2-CD1 4.42Å; W791-I793 HydrophobicContact CD2-CG1 3.83Å; W791-I793 HydrophobicContact CE3-CD1 3.45Å; W791-I793 VanDerWaalsContact CE3-CD1 3.45Å; W791-I793 HydrophobicContact CE3-CG1 3.34Å; W791-I793 HydrophobicContact CH2-CB 3.94Å; W791-I793 HydrophobicContact CH2-CD1 3.6Å; W791-I793 HydrophobicContact CH2-CG1 3.42Å; W791-I793 VanDerWaalsContact CH2-CG1 3.42Å; W791-I793 HydrophobicContact CH2-CG2 3.57Å; W791-I793 HydrophobicContact CZ2-CB 4.33Å; W791-I793 HydrophobicContact CZ2-CG1 3.96Å; W791-I793 HydrophobicContact CZ2-CG2 4.11Å; W791-I793 HydrophobicContact CZ3-CB 4.14Å; W791-I793 HydrophobicContact CZ3-CD1 2.96Å; W791-I793 HydrophobicContact CZ3-CG1 3.12Å; W791-I793 HydrophobicContact CZ3-CG2 4.12Å
792R86.1Confident84.6Confident142 Ų14236.6 Ų36.654%0.53618%0.175SC..EExtended strand (participates in β ladder)trans-108.1109.5-179.3-62.5-175.7177.989.68.3108.8L778 E779 P794L778-R792 HydrophobicContact CD2-CB 4.27Å; E779-R792 WeakPolarHBondContact O-CA 3.37Å; R792-P794 WeakPolarHBondContact O-CD 3.12Å
793I86.1Confident84.6Confident0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-93.7117.1-176.6-38.6-175.1000108.2I684 F751 L778 E779 V781 W791 I795I684-I793 HydrophobicContact CG1-CG2 3.86Å; F751-I793 HydrophobicContact CE1-CD1 3.75Å; F751-I793 HydrophobicContact CZ-CD1 3.51Å; L778-I793 WeakPolarHBondContact CA-O 3.31Å; E779-I793 HydrophobicContact CB-CB 4.27Å; E779-I793 PolarHBondContact N-O 2.83Å; E779-I793 PolarHBondContact O-N 2.87Å; V781-I793 HydrophobicContact CB-CD1 4.4Å; V781-I793 HydrophobicContact CG2-CD1 3.52Å; V781-I793 HydrophobicContact CG2-CG1 4.28Å; W791-I793 HydrophobicContact CD2-CD1 4.42Å; W791-I793 HydrophobicContact CD2-CG1 3.83Å; W791-I793 HydrophobicContact CE3-CD1 3.45Å; W791-I793 VanDerWaalsContact CE3-CD1 3.45Å; W791-I793 HydrophobicContact CE3-CG1 3.34Å; W791-I793 HydrophobicContact CH2-CB 3.94Å; W791-I793 HydrophobicContact CH2-CD1 3.6Å; W791-I793 HydrophobicContact CH2-CG1 3.42Å; W791-I793 VanDerWaalsContact CH2-CG1 3.42Å; W791-I793 HydrophobicContact CH2-CG2 3.57Å; W791-I793 HydrophobicContact CZ2-CB 4.33Å; W791-I793 HydrophobicContact CZ2-CG1 3.96Å; W791-I793 HydrophobicContact CZ2-CG2 4.11Å; W791-I793 HydrophobicContact CZ3-CB 4.14Å; W791-I793 HydrophobicContact CZ3-CD1 2.96Å; W791-I793 HydrophobicContact CZ3-CG1 3.12Å; W791-I793 HydrophobicContact CZ3-CG2 4.12Å; I793-I795 PolarHBondContact O-N 3.29Å
794P89.4Confident84.6Confident51 Ų5136 Ų3633%0.33117%0.172SC..EExtended strand (participates in β ladder)trans-63.7122.9168-15.730000109.4S682 K683 I684 G777 L778 R792S682-P794 VanDerWaalsContact O-CD 3.29Å; S682-P794 WeakPolarHBondContact O-CD 3.35Å; K683-P794 CarbonylContact C-O 3.57Å; K683-P794 VanDerWaalsContact CA-O 3.31Å; K683-P794 WeakPolarHBondContact CA-O 3.26Å; K683-P794 HydrophobicContact CB-CB 3.92Å; K683-P794 HydrophobicContact CB-CG 4.39Å; K683-P794 WeakPolarHBondContact CB-O 3.4Å; I684-P794 PolarHBondContact N-O 3.41Å; G777-P794 WeakPolarHBondContact O-CA 3.44Å; L778-P794 HydrophobicContact CD2-CB 4.44Å; L778-P794 HydrophobicContact CD2-CG 4.32Å; R792-P794 WeakPolarHBondContact O-CD 3.12Å
795I87.3Confident84.6Confident1 Ų138.2 Ų38.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-115.3131.9173.7-58.2-162.5000108.4I684 F686 M717 I732 F751 K776 G777 E779 I793 I797I684-I795 HydrophobicContact CB-CG1 4.26Å; I684-I795 WeakPolarHBondContact O-CA 3.41Å; F686-I795 HydrophobicContact CD2-CG2 3.88Å; F686-I795 HydrophobicContact CE2-CG2 3.64Å; M717-I795 HydrophobicContact CE-CB 4.34Å; M717-I795 HydrophobicContact CE-CG2 4.42Å; I732-I795 HydrophobicContact CD1-CD1 3.55Å; I732-I795 HydrophobicContact CD1-CG2 3.91Å; I732-I795 HydrophobicContact CG2-CD1 4.07Å; F751-I795 HydrophobicContact CD1-CD1 4.42Å; K776-I795 WeakPolarHBondContact CA-O 3.48Å; G777-I795 PolarHBondContact N-O 2.75Å; G777-I795 PolarHBondContact O-N 2.98Å; E779-I795 HydrophobicContact CB-CD1 3.42Å; E779-I795 VanDerWaalsContact CB-CD1 3.42Å; E779-I795 HydrophobicContact CB-CG1 3.97Å; E779-I795 HydrophobicContact CG-CD1 4.09Å; I793-I795 PolarHBondContact O-N 3.29Å; I795-I797 HydrophobicContact CG2-CG1 4.01Å
796E86.5Confident85.1Confident34 Ų3437.3 Ų37.316%0.15918%0.183CC..EExtended strand (participates in β ladder)trans-115.5122.7168.6-58.5-174.7136.300108.5K683 I684 I685 F686 I774 L775 K776K683-E796 IonicContact NZ-OE2 3.82Å; K683-E796 PolarHBondContact NZ-OE2 3.21Å; I684-E796 PolarHBondContact O-N 2.99Å; I685-E796 HydrophobicContact CD1-CB 4.01Å; I685-E796 HydrophobicContact CD1-CG 4.24Å; I685-E796 WeakPolarHBondContact CD1-OE2 2.98Å; F686-E796 PolarHBondContact N-O 2.85Å; F686-E796 VanDerWaalsContact N-O 3.12Å; I774-E796 HydrophobicContact CG2-CB 4.46Å; L775-E796 CarbonylContact O-C 3.57Å; L775-E796 VanDerWaalsContact O-CA 3.29Å; L775-E796 WeakPolarHBondContact O-CA 3.48Å; K776-E796 HydrophobicContact CD-CG 4.49Å; K776-E796 WeakPolarHBondContact CD-OE1 3.19Å; K776-E796 VanDerWaalsContact CE-OE1 3.24Å; K776-E796 WeakPolarHBondContact CE-OE1 3.25Å; K776-E796 HydrophobicContact CG-CG 4.22Å; K776-E796 IonicContact NZ-OE1 3.57Å; K776-E796 PolarHBondContact NZ-OE1 2.89Å
797I83.4Confident85.1Confident0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-112.1118.4172.6-54.9168.4000106.8F686 I689 M717 F730 I732 I774 L775 I795 F799F686-I797 HydrophobicContact CD2-CG1 3.91Å; F686-I797 HydrophobicContact CE2-CG1 4.5Å; I689-I797 HydrophobicContact CD1-CG2 4Å; M717-I797 HydrophobicContact CE-CD1 4.29Å; F730-I797 HydrophobicContact CD1-CD1 4.42Å; F730-I797 HydrophobicContact CD2-CD1 3.81Å; F730-I797 HydrophobicContact CE1-CD1 4.29Å; F730-I797 HydrophobicContact CE2-CD1 3.75Å; F730-I797 HydrophobicContact CG-CD1 4.19Å; F730-I797 HydrophobicContact CZ-CD1 3.99Å; I732-I797 HydrophobicContact CD1-CD1 4.12Å; I774-I797 CarbonylContact C-O 3.58Å; L775-I797 HydrophobicContact CB-CB 4.39Å; L775-I797 PolarHBondContact N-O 2.77Å; L775-I797 PolarHBondContact O-N 2.8Å; I795-I797 HydrophobicContact CG2-CG1 4.01Å; I797-F799 HydrophobicContact CB-CE2 4.09Å; I797-F799 HydrophobicContact CG2-CD2 3.89Å; I797-F799 HydrophobicContact CG2-CE2 3.36Å; I797-F799 HydrophobicContact CG2-CZ 3.77Å
798D82.3Confident85.3Confident30 Ų3039.2 Ų39.216%0.1619%0.188CC..EExtended strand (participates in β ladder)trans-95.1112.2178.1-179.1-5000109.4P688 I689 T800P688-D798 CarbonylContact C-O 3.57Å; P688-D798 VanDerWaalsContact CA-O 3.3Å; P688-D798 WeakPolarHBondContact CA-O 3.35Å; P688-D798 HydrophobicContact CB-CB 4.29Å; P688-D798 HydrophobicContact CG-CB 4.21Å; P688-D798 WeakPolarHBondContact CG-OD2 3.46Å; I689-D798 PolarHBondContact N-O 3.2Å; D798-T800 WeakPolarHBondContact OD1-CB 3.32Å; D798-T800 PolarHBondContact OD1-N 3.49Å; D798-T800 PolarHBondContact OD1-OG1 3.18Å
799F80.4Confident85.4Confident1 Ų140.2 Ų40.20%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-98.499.9167.6-66.2-89.3000109.7I689 F730 T755 Y759 I762 E772 I773 L775 I797I689-F799 HydrophobicContact CB-CD1 4.12Å; I689-F799 HydrophobicContact CB-CE1 4.27Å; I689-F799 HydrophobicContact CG2-CD1 4.25Å; I689-F799 HydrophobicContact CG2-CE1 4.15Å; I689-F799 WeakPolarHBondContact O-CA 3.39Å; F730-F799 HydrophobicContact CD1-CE2 4.47Å; F730-F799 HydrophobicContact CD1-CZ 4.25Å; T755-F799 HydrophobicContact CG2-CE1 3.94Å; T755-F799 HydrophobicContact CG2-CZ 4.1Å; Y759-F799 HydrophobicContact CD2-CB 3.82Å; Y759-F799 HydrophobicContact CE2-CB 4.42Å; I762-F799 HydrophobicContact CD1-CD1 3.88Å; I762-F799 HydrophobicContact CD1-CE1 3.6Å; I762-F799 HydrophobicContact CD1-CG 4.49Å; I762-F799 HydrophobicContact CD1-CZ 4.01Å; E772-F799 CarbonylContact C-O 3.54Å; E772-F799 WeakPolarHBondContact CA-O 3.23Å; I773-F799 HydrophobicContact CB-CB 4.36Å; I773-F799 PolarHBondContact N-O 3.07Å; I773-F799 PolarHBondContact O-N 3.49Å; L775-F799 HydrophobicContact CD1-CD2 3.97Å; L775-F799 HydrophobicContact CD1-CE2 3.47Å; L775-F799 VanDerWaalsContact CD1-CE2 3.47Å; L775-F799 HydrophobicContact CG-CD2 4.09Å; L775-F799 HydrophobicContact CG-CE2 4.06Å; I797-F799 HydrophobicContact CB-CE2 4.09Å; I797-F799 HydrophobicContact CG2-CD2 3.89Å; I797-F799 HydrophobicContact CG2-CE2 3.36Å; I797-F799 HydrophobicContact CG2-CZ 3.77Å
800T79.4Confident85.4Confident9 Ų938.9 Ų38.96%0.05519%0.194CC..EExtended strand (participates in β ladder)trans-123.3142.5-179.4-720000110I689 E690 E772 D798 P834 Y835I689-T800 PolarHBondContact O-N 3.26Å; E690-T800 WeakPolarHBondContact CB-O 3.22Å; E772-T800 WeakPolarHBondContact CG-OG1 3.34Å; D798-T800 WeakPolarHBondContact OD1-CB 3.32Å; D798-T800 PolarHBondContact OD1-N 3.49Å; D798-T800 PolarHBondContact OD1-OG1 3.18Å; T800-P834 VanDerWaalsContact CG2-CD 3.44Å; T800-P834 HydrophobicContact CG2-CG 4.08Å; T800-Y835 HydrophobicContact CG2-CE2 4.46Å; T800-Y835 WeakPolarHBondContact O-CE2 3.46Å; T800-Y835 PolarHBondContact O-OH 2.87Å
801I83Confident85.6Confident26 Ų2639.8 Ų39.813%0.13320%0.198CC..  trans-96148.4172.261.1169.4000112.4E690 Y759 D771 N803 S833E690-I801 HydrophobicContact CG-CG2 4.35Å; E690-I801 WeakPolarHBondContact OE1-CA 3.29Å; Y759-I801 HydrophobicContact CD1-CB 4.47Å; Y759-I801 HydrophobicContact CD1-CG2 3.01Å; Y759-I801 HydrophobicContact CD2-CG2 4.44Å; Y759-I801 HydrophobicContact CE1-CB 4.42Å; Y759-I801 HydrophobicContact CE1-CD1 4.37Å; Y759-I801 HydrophobicContact CE1-CG1 4.46Å; Y759-I801 HydrophobicContact CE1-CG2 3.23Å; Y759-I801 HydrophobicContact CG-CG2 3.65Å; D771-I801 HydrophobicContact CB-CD1 4.11Å; D771-I801 HydrophobicContact CB-CG1 4.17Å; D771-I801 WeakPolarHBondContact O-CG1 3.18Å; I801-N803 PolarHBondContact O-N 3.04Å; I801-S833 WeakPolarHBondContact O-CB 3.45Å
802A85.5Confident86Confident0 Ų037.3 Ų37.30%019%0.189CC..  trans-59.8120.9167.600000109.9E690 Y835 I837 R890 K902E690-A802 VanDerWaalsContact CD-N 3.34Å; E690-A802 PolarHBondContact OE1-N 3.46Å; A802-Y835 HydrophobicContact CB-CD2 4.17Å; A802-I837 HydrophobicContact CB-CD1 3.86Å; A802-I837 HydrophobicContact CB-CG1 4.1Å; A802-R890 HydrophobicContact CB-CB 4.04Å; A802-K902 WeakPolarHBondContact O-CD 3.35Å; A802-K902 PolarHBondContact O-NZ 3.07Å
803N87.7Confident86.1Confident11 Ų1136.5 Ų36.56%0.05919%0.187CC..  trans-146.5131-173.8-162.6-1.5000110.3D771 I801 I832 K904D771-N803 PolarHBondContact OD2-ND2 2.97Å; I801-N803 PolarHBondContact O-N 3.04Å; N803-I832 HydrophobicContact CB-CD1 4.17Å; N803-I832 HydrophobicContact CB-CG1 4.03Å; N803-I832 WeakPolarHBondContact O-CG1 3.47Å; N803-I832 PolarHBondContact O-N 3.41Å; N803-K904 WeakPolarHBondContact OD1-CE 3.48Å; N803-K904 PolarHBondContact OD1-NZ 2.85Å
804I90Very high86.2Confident0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-110129.1173.1-64.5176.2000108.5I829 T830 I837 F839 L860 L886 Y888 K904I804-I829 HydrophobicContact CG2-CB 3.86Å; I804-T830 CarbonylContact C-O 3.57Å; I804-T830 VanDerWaalsContact CA-O 3.3Å; I804-T830 WeakPolarHBondContact CA-O 3.46Å; I804-I837 HydrophobicContact CD1-CG2 3.73Å; I804-I837 HydrophobicContact CG1-CD1 3.92Å; I804-I837 HydrophobicContact CG1-CG2 4.16Å; I804-F839 HydrophobicContact CD1-CB 4.06Å; I804-L860 HydrophobicContact CD1-CD1 3.54Å; I804-L860 HydrophobicContact CG1-CD1 4.04Å; I804-L886 HydrophobicContact CB-CD2 4.25Å; I804-L886 HydrophobicContact CD1-CD2 4.11Å; I804-L886 HydrophobicContact CG2-CD2 3.79Å; I804-Y888 HydrophobicContact CD1-CD1 4.25Å; I804-Y888 HydrophobicContact CD1-CD2 3.98Å; I804-Y888 HydrophobicContact CD1-CG 3.7Å; I804-Y888 HydrophobicContact CG1-CD2 3.99Å; I804-Y888 HydrophobicContact CG1-CE2 4.33Å; I804-Y888 HydrophobicContact CG1-CG 4.17Å; I804-K904 VanDerWaalsContact O-CD 3.24Å; I804-K904 WeakPolarHBondContact O-CD 3.33Å; I804-K904 VanDerWaalsContact O-CE 3.23Å; I804-K904 WeakPolarHBondContact O-CE 3.27Å; I804-K904 PolarHBondContact O-NZ 2.86Å
805T88Confident86Confident50 Ų5040 Ų4031%0.30720%0.202SC..EExtended strand (participates in β ladder)trans-94.5141169.853.50000111T830 I832T805-T830 PolarHBondContact N-O 2.94Å; T805-T830 PolarHBondContact O-N 2.93Å; T805-T830 PolarHBondContact OG1-O 2.83Å; T805-I832 HydrophobicContact CG2-CD1 3.58Å; T805-I832 HydrophobicContact CG2-CG1 4.01Å; T805-I832 HydrophobicContact CG2-CG2 3.97Å
806L89.8Confident85.9Confident21 Ų2141.5 Ų41.511%0.1121%0.211CC..EExtended strand (participates in β ladder)trans-93.5135175.2-58-177.3000108.5F827 I829 W841 L886 K904 L906L806-F827 HydrophobicContact CB-CE1 4.04Å; L806-F827 HydrophobicContact CB-CZ 3.88Å; L806-F827 HydrophobicContact CD2-CE1 4.17Å; L806-I829 HydrophobicContact CD2-CG2 3.73Å; L806-W841 HydrophobicContact CD2-CH2 4.18Å; L806-L886 HydrophobicContact CD2-CD2 3.72Å; L806-K904 HydrophobicContact CD1-CB 4.1Å; L806-K904 HydrophobicContact CG-CD 4.45Å; L806-L906 HydrophobicContact CD1-CB 4.26Å; L806-L906 HydrophobicContact CD1-CD1 4.35Å
807E84.5Confident85.9Confident68 Ų6840 Ų4032%0.31820%0.204SC..G310 helixtrans-53.9148.8172.3-176.7177.3178.200111.2N809 G810 F827 N828E807-N809 PolarHBondContact O-N 2.8Å; E807-N809 VanDerWaalsContact O-N 3.11Å; E807-G810 PolarHBondContact O-N 2.96Å; E807-F827 HydrophobicContact CB-CD2 4.23Å; E807-F827 HydrophobicContact CB-CE1 4.45Å; E807-F827 HydrophobicContact CB-CE2 3.83Å; E807-F827 HydrophobicContact CB-CZ 3.95Å; E807-F827 VanDerWaalsContact O-CE2 3.26Å; E807-F827 WeakPolarHBondContact O-CE2 3.41Å; E807-F827 WeakPolarHBondContact O-CZ 3.42Å; E807-N828 HydrophobicContact CB-CB 4.36Å; E807-N828 VanDerWaalsContact CB-O 3.25Å; E807-N828 WeakPolarHBondContact CB-O 3.46Å; E807-N828 PolarHBondContact N-O 3.08Å; E807-N828 VanDerWaalsContact N-O 3.1Å; E807-N828 VanDerWaalsContact OE2-CB 3.27Å; E807-N828 WeakPolarHBondContact OE2-CB 3.41Å; E807-N828 PolarHBondContact OE2-N 2.6Å; E807-N828 PolarHBondContact OE2-ND2 3.17Å
808N83.5Confident85.9Confident106 Ų10640.5 Ų40.557%0.56721%0.206SC*.G310 helixtrans50.638.2178-60.2-31000114.7G810 E811N808-G810 PolarHBondContact O-N 2.9Å; N808-E811 PolarHBondContact O-N 2.94Å
809N83.7Confident86.1Confident166 Ų16640.9 Ų40.989%0.88821%0.208SC*.G310 helixtrans56.828.5-178.6-60.3-26.5000114E807E807-N809 PolarHBondContact O-N 2.8Å; E807-N809 VanDerWaalsContact O-N 3.11Å
810G86.5Confident85.9Confident5 Ų542.2 Ų42.25%0.05222%0.222CC..G310 helixtrans79.726.6179.300000113.9E807 N808 R907E807-G810 PolarHBondContact O-N 2.96Å; N808-G810 PolarHBondContact O-N 2.9Å; G810-R907 WeakPolarHBondContact O-CB 3.3Å; G810-R907 PolarHBondContact O-N 2.93Å
811E91.8Very high86.1Confident58 Ų5842.4 Ų42.427%0.27122%0.224SC..EExtended strand (participates in β ladder)trans-112.7119.9170.7-59.6-163.9138.300111.4N808 Y813 R907N808-E811 PolarHBondContact O-N 2.94Å; E811-Y813 HydrophobicContact CB-CD2 4.33Å; E811-Y813 HydrophobicContact CB-CE2 3.57Å; E811-Y813 PolarHBondContact OE2-OH 2.99Å; E811-R907 WeakPolarHBondContact CA-O 3.44Å; E811-R907 IonicContact OE1-CZ 3.9Å; E811-R907 IonicContact OE1-NH1 2.65Å; E811-R907 PolarHBondContact OE1-NH1 2.64Å
812L90.5Very high86.2Confident4 Ų443.3 Ų43.32%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-112.5112.9177.2173.859.6000109.3F814 K825 F827 W870 L906 R907 V908 I909L812-F814 HydrophobicContact CD2-CD2 4.44Å; L812-F814 HydrophobicContact CD2-CE2 3.65Å; L812-F814 HydrophobicContact CD2-CZ 4.3Å; L812-F814 HydrophobicContact CG-CD2 4.21Å; L812-F814 HydrophobicContact CG-CE2 3.88Å; L812-K825 HydrophobicContact CD1-CB 4.05Å; L812-K825 HydrophobicContact CD1-CG 3.52Å; L812-F827 HydrophobicContact CB-CD2 4.08Å; L812-F827 HydrophobicContact CB-CE2 4.27Å; L812-F827 HydrophobicContact CD1-CB 4.21Å; L812-F827 HydrophobicContact CD1-CD2 3.9Å; L812-F827 HydrophobicContact CD1-CG 4.43Å; L812-F827 HydrophobicContact CD2-CB 4.4Å; L812-F827 HydrophobicContact CG-CD2 4.41Å; L812-W870 HydrophobicContact CD2-CB 3.74Å; L812-W870 HydrophobicContact CD2-CD2 3.84Å; L812-W870 HydrophobicContact CD2-CG 3.43Å; L812-W870 VanDerWaalsContact CD2-CG 3.43Å; L812-L906 HydrophobicContact CB-CD1 4.19Å; L812-L906 HydrophobicContact CB-CD2 4.41Å; L812-L906 HydrophobicContact CB-CG 4.47Å; L812-L906 HydrophobicContact CD2-CD2 4.21Å; L812-R907 PolarHBondContact N-O 3.03Å; L812-V908 HydrophobicContact CB-CG2 4.33Å; L812-V908 HydrophobicContact CD2-CG1 4.26Å; L812-V908 HydrophobicContact CD2-CG2 4.17Å; L812-V908 HydrophobicContact CG-CG1 4.37Å; L812-V908 CarbonylContact O-C 3.57Å; L812-V908 WeakPolarHBondContact O-CA 3.33Å; L812-I909 PolarHBondContact O-N 2.92Å
813Y88.4Confident86.3Confident126 Ų12644.3 Ų44.349%0.49423%0.232SC..EExtended strand (participates in β ladder)trans-99.8118.1179.1-64.4-93.5000109.9E811 I909E811-Y813 HydrophobicContact CB-CD2 4.33Å; E811-Y813 HydrophobicContact CB-CE2 3.57Å; E811-Y813 PolarHBondContact OE2-OH 2.99Å; Y813-I909 HydrophobicContact CD1-CB 3.97Å; Y813-I909 HydrophobicContact CD1-CD1 3.86Å; Y813-I909 HydrophobicContact CD1-CG2 4.11Å; Y813-I909 HydrophobicContact CE1-CB 4.22Å; Y813-I909 HydrophobicContact CE1-CD1 3.24Å; Y813-I909 HydrophobicContact CE1-CG1 4.31Å; Y813-I909 HydrophobicContact CE1-CG2 4.3Å; Y813-I909 HydrophobicContact CE2-CD1 4.34Å
814F88.6Confident86.3Confident16 Ų1648.6 Ų48.67%0.0725%0.251CS..PPolyproline II helixtrans-83.4144.7168-83.6-91.3000110.5L812 T823 K825 L851 W870 F872 V908 I909 T910L812-F814 HydrophobicContact CD2-CD2 4.44Å; L812-F814 HydrophobicContact CD2-CE2 3.65Å; L812-F814 HydrophobicContact CD2-CZ 4.3Å; L812-F814 HydrophobicContact CG-CD2 4.21Å; L812-F814 HydrophobicContact CG-CE2 3.88Å; F814-T823 WeakPolarHBondContact CD1-OG1 3.45Å; F814-T823 WeakPolarHBondContact CE1-O 3.47Å; F814-K825 HydrophobicContact CD1-CB 4.27Å; F814-K825 HydrophobicContact CE1-CB 3.86Å; F814-K825 HydrophobicContact CZ-CB 4.1Å; F814-L851 HydrophobicContact CE2-CD1 4.39Å; F814-W870 HydrophobicContact CE2-CB 4.11Å; F814-W870 HydrophobicContact CZ-CB 3.56Å; F814-W870 WeakPolarHBondContact CZ-O 3.32Å; F814-F872 HydrophobicContact CD1-CB 3.81Å; F814-F872 HydrophobicContact CD2-CB 4.41Å; F814-F872 HydrophobicContact CE1-CB 3.76Å; F814-F872 HydrophobicContact CE2-CB 4.36Å; F814-F872 HydrophobicContact CG-CB 4.12Å; F814-F872 HydrophobicContact CZ-CB 4.02Å; F814-V908 HydrophobicContact CD2-CG1 3.66Å; F814-V908 HydrophobicContact CE2-CG1 3.6Å; F814-I909 PolarHBondContact N-O 3.46Å; F814-T910 HydrophobicContact CB-CG2 4.25Å; F814-T910 HydrophobicContact CD2-CG2 4.07Å; F814-T910 HydrophobicContact CG-CG2 4.39Å
815I85Confident86.2Confident109 Ų10953.7 Ų53.756%0.55927%0.274SS*.PPolyproline II helixtrans-63.9149.9166.557.3168.6000109.3T817 T823I815-T817 PolarHBondContact O-N 2.92Å; I815-T817 PolarHBondContact O-OG1 3.22Å; I815-T823 HydrophobicContact CD1-CG2 3.91Å; I815-T823 HydrophobicContact CG1-CG2 3.83Å
816P85.6Confident86.2Confident31 Ų3156.3 Ų56.320%0.20128%0.282CS..PPolyproline II helixtrans-56.3129.9177.4-25.136.8000110.8M911 I946 I947P816-M911 WeakPolarHBondContact CA-O 3.43Å; P816-M911 HydrophobicContact CB-CB 4.43Å; P816-M911 HydrophobicContact CB-CE 3.76Å; P816-M911 HydrophobicContact CB-CG 4.26Å; P816-M911 HydrophobicContact CG-CE 3.3Å; P816-I946 HydrophobicContact CB-CG2 4.06Å; P816-I946 HydrophobicContact CG-CG2 4.2Å; P816-I947 HydrophobicContact CB-CB 4.42Å; P816-I947 HydrophobicContact CB-CG1 3.56Å
817T86.5Confident86.3Confident2 Ų255.4 Ų55.41%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-124.3141.5-167.8-55.90000112.3I815 S821 T823 F872 P874 M911 S912 G913I815-T817 PolarHBondContact O-N 2.92Å; I815-T817 PolarHBondContact O-OG1 3.22Å; T817-S821 WeakPolarHBondContact CG2-OG 3Å; T817-T823 HydrophobicContact CG2-CG2 3.68Å; T817-T823 WeakPolarHBondContact OG1-CB 3.33Å; T817-T823 WeakPolarHBondContact OG1-CG2 3.39Å; T817-T823 PolarHBondContact OG1-OG1 2.77Å; T817-F872 HydrophobicContact CG2-CD1 4.46Å; T817-P874 HydrophobicContact CG2-CG 3.76Å; T817-M911 PolarHBondContact N-O 3.43Å; T817-S912 VanDerWaalsContact O-CA 3.26Å; T817-S912 WeakPolarHBondContact O-CA 3.46Å; T817-G913 PolarHBondContact O-N 2.95Å
818H84.3Confident86.5Confident11 Ų1154.1 Ų54.15%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-76.6143.6179.2-172.8-90.8000112.4G820 S821 P874 G913 V915 I947H818-G820 PolarHBondContact O-N 3.03Å; H818-S821 PolarHBondContact N-OG 2.81Å; H818-S821 WeakPolarHBondContact O-CB 3.31Å; H818-S821 PolarHBondContact O-N 2.89Å; H818-S821 PolarHBondContact O-OG 2.93Å; H818-P874 WeakPolarHBondContact O-CG 3.32Å; H818-G913 WeakPolarHBondContact CA-O 3.5Å; H818-G913 PolarHBondContact CD2-O 3.14Å; H818-V915 PolarHBondContact CD2-N 2.82Å; H818-V915 PolarHBondContact NE2-N 2.68Å; H818-V915 VanDerWaalsContact NE2-N 3.15Å; H818-I947 HydrophobicContact CB-CG2 4.15Å
819I84.8Confident86.9Confident38 Ų3849.1 Ų49.120%0.19525%0.246CC..THydrogen-bonded Turntrans-56.6137.5175.9-65.6165.3000111.7S821 V877 G913 N914I819-S821 PolarHBondContact O-N 3.14Å; I819-V877 HydrophobicContact CD1-CB 4.24Å; I819-V877 HydrophobicContact CD1-CG2 3.23Å; I819-V877 HydrophobicContact CG1-CG2 4.34Å; I819-G913 PolarHBondContact N-O 3.2Å; I819-N914 VanDerWaalsContact CD1-OD1 3.23Å; I819-N914 WeakPolarHBondContact CD1-OD1 3.5Å
820G77.4Confident87.1Confident29 Ų2942.3 Ų42.330%0.29921%0.211SC..THydrogen-bonded Turntrans76.2-7.417900000115.1H818 P874 K1038 L1040H818-G820 PolarHBondContact O-N 3.03Å; G820-P874 PolarHBondContact N-O 2.93Å; G820-K1038 PolarHBondContact O-NZ 2.95Å; G820-L1040 VanDerWaalsContact C-CD2 3.41Å; G820-L1040 WeakPolarHBondContact O-CD2 3.24Å
821S84Confident87.2Confident13 Ų1342.1 Ų42.19%0.09121%0.208CC..  trans-91.6-175.1168.182.30000110.6T817 H818 I819 P874T817-S821 WeakPolarHBondContact CG2-OG 3Å; H818-S821 PolarHBondContact N-OG 2.81Å; H818-S821 WeakPolarHBondContact O-CB 3.31Å; H818-S821 PolarHBondContact O-N 2.89Å; H818-S821 PolarHBondContact O-OG 2.93Å; I819-S821 PolarHBondContact O-N 3.14Å; S821-P874 WeakPolarHBondContact O-CD 3.33Å
822Y85.1Confident86.8Confident46 Ų4641.5 Ų41.518%0.1821%0.207CC..  trans-141.8155.2174.675-90.7000111.5Q824 T871 F872 H873 T1012 E1014Y822-Q824 HydrophobicContact CD2-CG 4.07Å; Y822-Q824 HydrophobicContact CE2-CG 4.03Å; Y822-T871 HydrophobicContact CD2-CG2 3.56Å; Y822-T871 HydrophobicContact CE2-CG2 4.44Å; Y822-T871 HydrophobicContact CG-CG2 4.09Å; Y822-F872 CarbonylContact C-O 3.57Å; Y822-F872 WeakPolarHBondContact CA-O 3.32Å; Y822-H873 VanDerWaalsContact CB-CE1 3.44Å; Y822-H873 WeakPolarHBondContact CB-CE1 3.36Å; Y822-H873 WeakPolarHBondContact CB-ND1 3.3Å; Y822-H873 AromaticContact CG-CE1 3.93Å; Y822-T1012 WeakPolarHBondContact CE1-O 3.12Å; Y822-T1012 PolarHBondContact OH-O 3.32Å; Y822-E1014 PolarHBondContact OH-N 2.84Å
823T86Confident86.4Confident20 Ų2041.4 Ų41.412%0.12321%0.206CC..EExtended strand (participates in β ladder)trans-128.5145.6167.948.90000110.2F814 I815 T817 T871 F872F814-T823 WeakPolarHBondContact CD1-OG1 3.45Å; F814-T823 WeakPolarHBondContact CE1-O 3.47Å; I815-T823 HydrophobicContact CD1-CG2 3.91Å; I815-T823 HydrophobicContact CG1-CG2 3.83Å; T817-T823 HydrophobicContact CG2-CG2 3.68Å; T817-T823 WeakPolarHBondContact OG1-CB 3.33Å; T817-T823 WeakPolarHBondContact OG1-CG2 3.39Å; T817-T823 PolarHBondContact OG1-OG1 2.77Å; T823-T871 WeakPolarHBondContact O-CA 3.3Å; T823-F872 PolarHBondContact N-O 3.1Å; T823-F872 PolarHBondContact O-N 3.07Å
824Q88.4Confident85.9Confident101 Ų10137.8 Ų37.847%0.47220%0.198SC..EExtended strand (participates in β ladder)trans-113.9142.4176.6-74.4-179.2-28.600110.7Y822 I869 W870 T871Y822-Q824 HydrophobicContact CD2-CG 4.07Å; Y822-Q824 HydrophobicContact CE2-CG 4.03Å; Q824-I869 HydrophobicContact CB-CG2 4.22Å; Q824-I869 HydrophobicContact CG-CG2 4.16Å; Q824-W870 CarbonylContact C-O 3.44Å; Q824-W870 VanDerWaalsContact CA-O 3.24Å; Q824-W870 WeakPolarHBondContact CA-O 3.22Å; Q824-T871 HydrophobicContact CG-CG2 3.69Å; Q824-T871 PolarHBondContact NE2-OG1 3Å
825K87.8Confident85.7Confident108 Ų10837.8 Ų37.847%0.4720%0.198SC..EExtended strand (participates in β ladder)trans-138.9127.7173.5-172.362.9179.61770109.8L812 F814 W870L812-K825 HydrophobicContact CD1-CB 4.05Å; L812-K825 HydrophobicContact CD1-CG 3.52Å; F814-K825 HydrophobicContact CD1-CB 4.27Å; F814-K825 HydrophobicContact CE1-CB 3.86Å; F814-K825 HydrophobicContact CZ-CB 4.1Å; K825-W870 PolarHBondContact N-O 3.23Å; K825-W870 PolarHBondContact O-N 2.91Å
826E88.9Confident85.9Confident104 Ų10437.1 Ų37.149%0.48619%0.191SC..EExtended strand (participates in β ladder)trans-73.1129.2169.6171.8161.5-137.700109.7S867 Q868E826-S867 WeakPolarHBondContact CG-OG 3.35Å; E826-S867 WeakPolarHBondContact OE1-CB 3.46Å; E826-S867 PolarHBondContact OE1-OG 2.7Å; E826-Q868 WeakPolarHBondContact CA-O 3.18Å
827F90.4Very high86.1Confident2 Ų235.7 Ų35.71%0.00918%0.181CC..EExtended strand (participates in β ladder)trans-133.2122.2178.1-174.7-95.4000109.7L806 E807 L812 I829 Q868 L906L806-F827 HydrophobicContact CB-CE1 4.04Å; L806-F827 HydrophobicContact CB-CZ 3.88Å; L806-F827 HydrophobicContact CD2-CE1 4.17Å; E807-F827 HydrophobicContact CB-CD2 4.23Å; E807-F827 HydrophobicContact CB-CE1 4.45Å; E807-F827 HydrophobicContact CB-CE2 3.83Å; E807-F827 HydrophobicContact CB-CZ 3.95Å; E807-F827 VanDerWaalsContact O-CE2 3.26Å; E807-F827 WeakPolarHBondContact O-CE2 3.41Å; E807-F827 WeakPolarHBondContact O-CZ 3.42Å; L812-F827 HydrophobicContact CB-CD2 4.08Å; L812-F827 HydrophobicContact CB-CE2 4.27Å; L812-F827 HydrophobicContact CD1-CB 4.21Å; L812-F827 HydrophobicContact CD1-CD2 3.9Å; L812-F827 HydrophobicContact CD1-CG 4.43Å; L812-F827 HydrophobicContact CD2-CB 4.4Å; L812-F827 HydrophobicContact CG-CD2 4.41Å; F827-I829 HydrophobicContact CD1-CG2 4.29Å; F827-I829 HydrophobicContact CE1-CG2 4.19Å; F827-Q868 PolarHBondContact N-O 3.04Å; F827-Q868 WeakPolarHBondContact O-CB 3.35Å; F827-Q868 PolarHBondContact O-N 2.78Å; F827-L906 HydrophobicContact CD1-CD1 4.35Å; F827-L906 HydrophobicContact CD1-CD2 4.5Å; F827-L906 HydrophobicContact CE1-CD1 3.64Å; F827-L906 HydrophobicContact CE1-CD2 4.46Å; F827-L906 HydrophobicContact CE2-CD1 3.8Å; F827-L906 HydrophobicContact CZ-CD1 3.31Å
828N89.8Confident86.4Confident42 Ų4238.7 Ų38.723%0.22520%0.195CC..EExtended strand (participates in β ladder)trans-89.4135.2-175.9-63.6-64.5000112E807 I865 S867E807-N828 HydrophobicContact CB-CB 4.36Å; E807-N828 VanDerWaalsContact CB-O 3.25Å; E807-N828 WeakPolarHBondContact CB-O 3.46Å; E807-N828 PolarHBondContact N-O 3.08Å; E807-N828 VanDerWaalsContact N-O 3.1Å; E807-N828 VanDerWaalsContact OE2-CB 3.27Å; E807-N828 WeakPolarHBondContact OE2-CB 3.41Å; E807-N828 PolarHBondContact OE2-N 2.6Å; E807-N828 PolarHBondContact OE2-ND2 3.17Å; N828-I865 HydrophobicContact CB-CG2 3.72Å; N828-S867 WeakPolarHBondContact OD1-CA 3.24Å
829I91.6Very high86.9Confident0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-109.4136.2164.559.6177.1000108.4I804 L806 F827 F839 W841 L860 I865 Q866 Q868 L886I804-I829 HydrophobicContact CG2-CB 3.86Å; L806-I829 HydrophobicContact CD2-CG2 3.73Å; F827-I829 HydrophobicContact CD1-CG2 4.29Å; F827-I829 HydrophobicContact CE1-CG2 4.19Å; I829-F839 HydrophobicContact CD1-CD1 4.22Å; I829-F839 HydrophobicContact CD1-CD2 4.01Å; I829-F839 HydrophobicContact CD1-CE1 3.93Å; I829-F839 HydrophobicContact CD1-CE2 3.73Å; I829-F839 HydrophobicContact CD1-CG 4.26Å; I829-F839 HydrophobicContact CD1-CZ 3.7Å; I829-W841 HydrophobicContact CG2-CZ2 3.93Å; I829-L860 HydrophobicContact CD1-CD1 3.73Å; I829-L860 HydrophobicContact CG1-CD1 4.01Å; I829-I865 WeakPolarHBondContact O-CA 3.32Å; I829-Q866 HydrophobicContact CG1-CB 4.36Å; I829-Q866 WeakPolarHBondContact CG1-O 3.37Å; I829-Q866 PolarHBondContact N-O 2.8Å; I829-Q866 PolarHBondContact O-N 2.9Å; I829-Q868 HydrophobicContact CD1-CG 3.97Å; I829-Q868 HydrophobicContact CG1-CG 4Å; I829-Q868 HydrophobicContact CG2-CG 4.25Å; I829-L886 HydrophobicContact CG2-CD2 4.39Å
830T88.1Confident87.3Confident24 Ų2438.1 Ų38.115%0.14720%0.195CC..EExtended strand (participates in β ladder)trans-120.2123.6-176-54.40000109.9I804 T805 I832 E864 I865I804-T830 CarbonylContact C-O 3.57Å; I804-T830 VanDerWaalsContact CA-O 3.3Å; I804-T830 WeakPolarHBondContact CA-O 3.46Å; T805-T830 PolarHBondContact N-O 2.94Å; T805-T830 PolarHBondContact O-N 2.93Å; T805-T830 PolarHBondContact OG1-O 2.83Å; T830-I832 HydrophobicContact CG2-CG2 3.99Å; T830-I832 PolarHBondContact O-N 3.16Å; T830-E864 WeakPolarHBondContact CA-O 3.44Å; T830-I865 HydrophobicContact CG2-CG1 3.74Å
831N89.3Confident88.1Confident0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-78.2110167.1-179.68.8000108.8S833 Y835 I837 L860 L861 N863 E864N831-S833 VanDerWaalsContact C-N 3.34Å; N831-S833 WeakPolarHBondContact OD1-CB 3.35Å; N831-S833 PolarHBondContact OD1-N 2.99Å; N831-S833 PolarHBondContact OD1-O 2.76Å; N831-S833 PolarHBondContact OD1-OG 2.94Å; N831-Y835 PolarHBondContact ND2-O 2.87Å; N831-I837 VanDerWaalsContact OD1-CD1 3.28Å; N831-I837 WeakPolarHBondContact OD1-CD1 3.46Å; N831-L860 HydrophobicContact CB-CB 3.94Å; N831-L860 HydrophobicContact CB-CD2 4.42Å; N831-L860 PolarHBondContact ND2-O 3.02Å; N831-L861 WeakPolarHBondContact CB-O 3.5Å; N831-L861 VanDerWaalsContact ND2-C 3.34Å; N831-L861 PolarHBondContact ND2-O 2.81Å; N831-N863 CarbonylContact O-C 3.29Å; N831-N863 WeakPolarHBondContact O-CA 3.2Å; N831-N863 PolarHBondContact O-N 3.4Å; N831-E864 PolarHBondContact N-O 2.85Å
832I82.2Confident88.4Confident46 Ų4641.5 Ų41.524%0.23620%0.202CC..  trans-95.22.8178.357.6160000112.3N803 T805 T830N803-I832 HydrophobicContact CB-CD1 4.17Å; N803-I832 HydrophobicContact CB-CG1 4.03Å; N803-I832 WeakPolarHBondContact O-CG1 3.47Å; N803-I832 PolarHBondContact O-N 3.41Å; T805-I832 HydrophobicContact CG2-CD1 3.58Å; T805-I832 HydrophobicContact CG2-CG1 4.01Å; T805-I832 HydrophobicContact CG2-CG2 3.97Å; T830-I832 HydrophobicContact CG2-CG2 3.99Å; T830-I832 PolarHBondContact O-N 3.16Å
833S82.4Confident88.6Confident2 Ų240 Ų401%0.01420%0.196CC..SBendtrans-100.8158.5-178.5800000111.2I801 N831 Y835 I837I801-S833 WeakPolarHBondContact O-CB 3.45Å; N831-S833 VanDerWaalsContact C-N 3.34Å; N831-S833 WeakPolarHBondContact OD1-CB 3.35Å; N831-S833 PolarHBondContact OD1-N 2.99Å; N831-S833 PolarHBondContact OD1-O 2.76Å; N831-S833 PolarHBondContact OD1-OG 2.94Å; S833-Y835 PolarHBondContact O-N 2.84Å; S833-I837 WeakPolarHBondContact OG-CD1 3.49Å
834P78.7Confident88.5Confident49 Ų4943.9 Ų43.932%0.31822%0.215SC..SBendtrans-77.20.5178.431.7-35.5000113.3P688 T800 P862P688-P834 HydrophobicContact CB-CB 4.25Å; P688-P834 HydrophobicContact CB-CG 3.46Å; P688-P834 VanDerWaalsContact CB-CG 3.46Å; P688-P834 HydrophobicContact CG-CB 3.74Å; P688-P834 HydrophobicContact CG-CG 3.45Å; P688-P834 VanDerWaalsContact CG-CG 3.45Å; T800-P834 VanDerWaalsContact CG2-CD 3.44Å; T800-P834 HydrophobicContact CG2-CG 4.08Å; P834-P862 VanDerWaalsContact O-CG 3.23Å; P834-P862 WeakPolarHBondContact O-CG 3.16Å
835Y84.5Confident88.1Confident16 Ų1643.4 Ų43.46%0.06322%0.223CC..SBendtrans-99.5153.8-177.5-49.3-68.1000112P688 I689 E690 T800 A802 N831 S833 R890P688-Y835 HydrophobicContact CB-CE1 4.1Å; P688-Y835 WeakPolarHBondContact CB-OH 3.4Å; P688-Y835 PolarHBondContact O-OH 2.92Å; I689-Y835 WeakPolarHBondContact CA-OH 3.35Å; I689-Y835 PolarHBondContact N-OH 3.03Å; I689-Y835 VanDerWaalsContact N-OH 3.12Å; E690-Y835 HydrophobicContact CB-CE2 4.06Å; E690-Y835 PolarHBondContact N-OH 3Å; T800-Y835 HydrophobicContact CG2-CE2 4.46Å; T800-Y835 WeakPolarHBondContact O-CE2 3.46Å; T800-Y835 PolarHBondContact O-OH 2.87Å; A802-Y835 HydrophobicContact CB-CD2 4.17Å; N831-Y835 PolarHBondContact ND2-O 2.87Å; S833-Y835 PolarHBondContact O-N 2.84Å; Y835-R890 VanDerWaalsContact CE1-NH1 3.29Å; Y835-R890 HydrophobicContact CG-CG 4.24Å
836K88.3Confident87.8Confident96 Ų9644.6 Ų44.642%0.41723%0.234SC..  trans-72.6126.4164.3-173.3168175.1-174.60108.5V859 L861 L891K836-V859 HydrophobicContact CD-CG1 4.1Å; K836-V859 HydrophobicContact CG-CG1 3.61Å; K836-L861 HydrophobicContact CD-CD2 3.88Å; K836-L861 HydrophobicContact CG-CD2 4.1Å; K836-L891 HydrophobicContact CB-CB 4.47Å; K836-L891 HydrophobicContact CD-CD2 3.79Å; K836-L891 HydrophobicContact CG-CB 4.27Å; K836-L891 HydrophobicContact CG-CD2 3.97Å; K836-L891 WeakPolarHBondContact O-CB 3.26Å; K836-L891 PolarHBondContact O-N 2.88Å
837I90.8Very high87.6Confident0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans-115.3132.7-176-64.2-177000109.8A802 I804 N831 S833 V859 L860 Y888 W889A802-I837 HydrophobicContact CB-CD1 3.86Å; A802-I837 HydrophobicContact CB-CG1 4.1Å; I804-I837 HydrophobicContact CD1-CG2 3.73Å; I804-I837 HydrophobicContact CG1-CD1 3.92Å; I804-I837 HydrophobicContact CG1-CG2 4.16Å; N831-I837 VanDerWaalsContact OD1-CD1 3.28Å; N831-I837 WeakPolarHBondContact OD1-CD1 3.46Å; S833-I837 WeakPolarHBondContact OG-CD1 3.49Å; I837-V859 CarbonylContact O-C 3.35Å; I837-V859 WeakPolarHBondContact O-CA 3.37Å; I837-L860 HydrophobicContact CB-CB 4.48Å; I837-L860 PolarHBondContact N-O 2.79Å; I837-L860 PolarHBondContact O-N 2.84Å; I837-Y888 HydrophobicContact CD1-CD2 4.42Å; I837-Y888 HydrophobicContact CG2-CD2 3.98Å; I837-Y888 HydrophobicContact CG2-CG 4.35Å; I837-W889 WeakPolarHBondContact CA-O 3.23Å; I837-W889 WeakPolarHBondContact CG2-O 3.15Å
838E91.9Very high87.2Confident65 Ų6547.4 Ų47.430%0.30425%0.247SC..EExtended strand (participates in β ladder)trans-95.4139.9165.2-174.3171.9-151.400109.4V859 Y888 W889 L891E838-V859 HydrophobicContact CG-CG2 4.43Å; E838-Y888 VanDerWaalsContact O-CA 3.26Å; E838-Y888 WeakPolarHBondContact O-CA 3.22Å; E838-Y888 WeakPolarHBondContact O-CB 3.43Å; E838-W889 HydrophobicContact CB-CZ2 4.19Å; E838-W889 HydrophobicContact CG-CH2 4.45Å; E838-W889 HydrophobicContact CG-CZ2 3.75Å; E838-W889 PolarHBondContact N-O 2.74Å; E838-W889 PolarHBondContact O-N 3.14Å; E838-W889 VanDerWaalsContact OE2-CZ2 3.31Å; E838-W889 WeakPolarHBondContact OE2-CZ2 3.35Å; E838-W889 PolarHBondContact OE2-NE1 3.41Å; E838-W889 VanDerWaalsContact OE2-NE1 3.11Å; E838-L891 HydrophobicContact CB-CD1 4.18Å
839F93.8Very high86.9Confident1 Ų151.4 Ų51.40%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-139.7155.3-178.776.1-89.3000112.2I804 I829 W841 P855 K857 G858 L860 L886 I887I804-F839 HydrophobicContact CD1-CB 4.06Å; I829-F839 HydrophobicContact CD1-CD1 4.22Å; I829-F839 HydrophobicContact CD1-CD2 4.01Å; I829-F839 HydrophobicContact CD1-CE1 3.93Å; I829-F839 HydrophobicContact CD1-CE2 3.73Å; I829-F839 HydrophobicContact CD1-CG 4.26Å; I829-F839 HydrophobicContact CD1-CZ 3.7Å; F839-W841 AromaticContact CE2-NE1 3.9Å; F839-P855 HydrophobicContact CZ-CG 4.48Å; F839-K857 VanDerWaalsContact O-CA 3.3Å; F839-K857 WeakPolarHBondContact O-CA 3.46Å; F839-G858 VanDerWaalsContact CD1-O 3.26Å; F839-G858 WeakPolarHBondContact CD1-O 3.27Å; F839-G858 PolarHBondContact N-O 2.88Å; F839-G858 PolarHBondContact O-N 2.78Å; F839-L860 HydrophobicContact CD1-CD1 3.68Å; F839-L860 HydrophobicContact CD1-CG 3.99Å; F839-L860 HydrophobicContact CE1-CD1 3.94Å; F839-L860 HydrophobicContact CE1-CG 3.91Å; F839-L860 HydrophobicContact CG-CD1 4.47Å; F839-L886 HydrophobicContact CB-CD1 3.87Å; F839-L886 HydrophobicContact CD2-CD1 3.54Å; F839-L886 HydrophobicContact CE2-CD1 4.49Å; F839-L886 HydrophobicContact CG-CD1 4.04Å; F839-I887 CarbonylContact C-O 3.47Å; F839-I887 VanDerWaalsContact CA-O 3.25Å; F839-I887 WeakPolarHBondContact CA-O 3.4Å
840C94Very high86.6Confident36 Ų3652.9 Ų52.924%0.24328%0.275CS..EExtended strand (participates in β ladder)trans-143.9145.5170.9640000111.6T856 K857 I887C840-T856 WeakPolarHBondContact CA-O 3.39Å; C840-K857 HydrophobicContact CB-CB 4.1Å; C840-I887 PolarHBondContact N-O 3.1Å; C840-I887 PolarHBondContact O-N 2.83Å
841W93.6Very high86.8Confident13 Ų1351.8 Ų51.85%0.04927%0.269CS..EExtended strand (participates in β ladder)trans-93.3126.2175-73.5105.6000110.8L806 I829 F839 V853 T856 W870 P884 L886 L906L806-W841 HydrophobicContact CD2-CH2 4.18Å; I829-W841 HydrophobicContact CG2-CZ2 3.93Å; F839-W841 AromaticContact CE2-NE1 3.9Å; W841-V853 HydrophobicContact CB-CG1 3.57Å; W841-V853 HydrophobicContact CG-CG1 3.73Å; W841-V853 HydrophobicContact CG-CG2 4.38Å; W841-T856 PolarHBondContact N-O 3.19Å; W841-W870 HydrophobicContact CD2-CH2 4.04Å; W841-W870 AromaticContact CD2-CZ2 3.69Å; W841-W870 HydrophobicContact CD2-CZ2 3.69Å; W841-W870 AromaticContact CE2-CZ2 3.74Å; W841-W870 AromaticContact CE3-CH2 3.75Å; W841-W870 HydrophobicContact CE3-CH2 3.75Å; W841-W870 AromaticContact CE3-CZ2 3.63Å; W841-W870 HydrophobicContact CE3-CZ2 3.63Å; W841-W870 HydrophobicContact CG-CZ2 4.42Å; W841-W870 AromaticContact CH2-CZ2 3.73Å; W841-W870 HydrophobicContact CH2-CZ2 3.73Å; W841-W870 AromaticContact CZ2-CZ2 3.78Å; W841-W870 HydrophobicContact CZ2-CZ2 3.78Å; W841-W870 HydrophobicContact CZ3-CH2 4.02Å; W841-W870 AromaticContact CZ3-CZ2 3.64Å; W841-W870 HydrophobicContact CZ3-CZ2 3.64Å; W841-P884 HydrophobicContact CE3-CB 4.41Å; W841-L886 HydrophobicContact CD2-CB 4.39Å; W841-L886 HydrophobicContact CD2-CD1 3.99Å; W841-L886 HydrophobicContact CE3-CB 3.93Å; W841-L886 HydrophobicContact CE3-CD1 4.39Å; W841-L886 HydrophobicContact CG-CD1 4.46Å; W841-L886 HydrophobicContact CH2-CB 3.78Å; W841-L886 HydrophobicContact CH2-CD1 4.4Å; W841-L886 HydrophobicContact CH2-CD2 4.45Å; W841-L886 HydrophobicContact CH2-CG 4.44Å; W841-L886 HydrophobicContact CZ2-CB 4.24Å; W841-L886 HydrophobicContact CZ2-CD1 3.99Å; W841-L886 HydrophobicContact CZ2-CD2 4.4Å; W841-L886 HydrophobicContact CZ2-CG 4.44Å; W841-L886 HydrophobicContact CZ3-CB 3.62Å; W841-L906 HydrophobicContact CH2-CB 3.98Å; W841-L906 HydrophobicContact CH2-CD2 3.85Å; W841-L906 HydrophobicContact CH2-CG 4.45Å; W841-L906 HydrophobicContact CZ3-CB 3.81Å; W841-L906 HydrophobicContact CZ3-CD2 4.05Å
842E91.1Very high86.8Confident101 Ų10156.1 Ų56.147%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-106.6115.3171.9-172.7-178.5-150.400109.5P884 R885 I887E842-P884 WeakPolarHBondContact O-CA 3.39Å; E842-R885 HydrophobicContact CB-CB 4.41Å; E842-R885 PolarHBondContact N-O 3.08Å; E842-R885 PolarHBondContact O-N 3.49Å; E842-I887 HydrophobicContact CB-CD1 4.03Å
843I88.2Confident87.3Confident14 Ų1454.3 Ų54.37%0.07228%0.28CS..  trans-108.3134.4172.8-56173000106.8D847 K848 V853 W870 P884I843-D847 HydrophobicContact CG2-CB 3.82Å; I843-K848 HydrophobicContact CB-CG 3.94Å; I843-K848 HydrophobicContact CG2-CG 3.85Å; I843-K848 WeakPolarHBondContact O-CE 3.49Å; I843-V853 HydrophobicContact CD1-CG1 4.06Å; I843-W870 HydrophobicContact CD1-CZ3 4.08Å; I843-P884 HydrophobicContact CG1-CB 4.04Å
844I85.5Confident87.6Confident102 Ų10261.3 Ų61.352%0.52331%0.307SS..  trans-60.9142.2178.9-60.1171.2000109D846 D847 K848I844-D846 VanDerWaalsContact C-N 3.27Å; I844-D846 PolarHBondContact O-N 2.87Å; I844-D846 VanDerWaalsContact O-N 3.17Å; I844-D847 PolarHBondContact O-N 2.95Å; I844-K848 PolarHBondContact O-N 2.77Å
845S79.5Confident88.3Confident90 Ų9060.4 Ų60.463%0.62930%0.301SS*.THydrogen-bonded Turntrans-53.5-39.1-172.2-62.10000114.4
846D80.2Confident88.5Confident133 Ų13363.4 Ų63.471%0.71132%0.321SS*.THydrogen-bonded Turntrans-69.1-35.4-179.4-60.1-25.1000111.7I844I844-D846 VanDerWaalsContact C-N 3.27Å; I844-D846 PolarHBondContact O-N 2.87Å; I844-D846 VanDerWaalsContact O-N 3.17Å
847D85.1Confident88.7Confident40 Ų4066.5 Ų66.521%0.21434%0.335CS..G310 helixtrans-76.6-23.4-178.6-62.2-19.4000112.8I843 I844 N849 E850 L851 Y882I843-D847 HydrophobicContact CG2-CB 3.82Å; I844-D847 PolarHBondContact O-N 2.95Å; D847-N849 PolarHBondContact O-N 2.86Å; D847-N849 VanDerWaalsContact O-N 3.09Å; D847-E850 PolarHBondContact O-N 2.92Å; D847-L851 PolarHBondContact O-N 3.39Å; D847-Y882 HydrophobicContact CB-CD1 3.84Å; D847-Y882 HydrophobicContact CB-CE1 4.2Å
848K82.4Confident88.7Confident126 Ų12667.3 Ų67.355%0.54834%0.344SS..G310 helixtrans-60.4-20.1-179.2-77.2-174.7-178.6175.90114.1I843 I844 E850I843-K848 HydrophobicContact CB-CG 3.94Å; I843-K848 HydrophobicContact CG2-CG 3.85Å; I843-K848 WeakPolarHBondContact O-CE 3.49Å; I844-K848 PolarHBondContact O-N 2.77Å; K848-E850 VanDerWaalsContact C-N 3.27Å
849N82.7Confident88.7Confident126 Ų12666.8 Ų66.867%0.67434%0.344SS*.G310 helixtrans-73-23.4175.9-63.6-33.8000112.2D847D847-N849 PolarHBondContact O-N 2.86Å; D847-N849 VanDerWaalsContact O-N 3.09Å
850E86.9Confident88.4Confident31 Ų3166.7 Ų66.715%0.14534%0.344CS..THydrogen-bonded Turntrans-115.1-23.6-177.5-57.7-164.6132.400113.4D847 K848 F872 H873 T875 Y882D847-E850 PolarHBondContact O-N 2.92Å; K848-E850 VanDerWaalsContact C-N 3.27Å; E850-F872 HydrophobicContact CB-CE2 4.32Å; E850-F872 CarbonylContact O-C 3.5Å; E850-F872 WeakPolarHBondContact O-CA 3.08Å; E850-F872 WeakPolarHBondContact O-CD2 3.29Å; E850-H873 WeakPolarHBondContact CA-O 3.5Å; E850-H873 PolarHBondContact O-N 3.05Å; E850-T875 HydrophobicContact CG-CG2 4.07Å; E850-T875 WeakPolarHBondContact OE1-CB 3.21Å; E850-T875 PolarHBondContact OE1-N 3.02Å; E850-T875 PolarHBondContact OE1-OG1 2.86Å; E850-Y882 PolarHBondContact OE2-OH 3.11Å
851L90.7Very high88.2Confident1 Ų167 Ų671%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-127.8129.7-175.3-169.471.3000111.9F814 D847 W870 Y882 P884 V908F814-L851 HydrophobicContact CE2-CD1 4.39Å; D847-L851 PolarHBondContact O-N 3.39Å; L851-W870 HydrophobicContact CD1-CE3 3.95Å; L851-W870 HydrophobicContact CD1-CZ3 4.41Å; L851-W870 HydrophobicContact CD2-CE3 4.09Å; L851-W870 HydrophobicContact CD2-CZ3 3.71Å; L851-W870 HydrophobicContact CG-CE3 3.95Å; L851-W870 HydrophobicContact CG-CZ3 3.94Å; L851-Y882 HydrophobicContact CD2-CD2 4.31Å; L851-Y882 HydrophobicContact CD2-CG 4.04Å; L851-P884 HydrophobicContact CD2-CG 4.23Å; L851-V908 HydrophobicContact CD1-CG1 4.13Å; L851-V908 HydrophobicContact CD2-CB 4.47Å; L851-V908 HydrophobicContact CD2-CG2 4.24Å
852E90.1Very high87.7Confident91 Ų9167.9 Ų67.943%0.42535%0.35SS..EExtended strand (participates in β ladder)trans-135.3158.5175.362.1173.6-17300112.1W870 T871 H873E852-W870 WeakPolarHBondContact O-CA 3.22Å; E852-T871 VanDerWaalsContact CG-CB 3.44Å; E852-T871 HydrophobicContact CG-CG2 4.48Å; E852-T871 PolarHBondContact N-O 2.84Å; E852-T871 PolarHBondContact O-N 3.25Å; E852-T871 WeakPolarHBondContact OE1-CB 3.5Å; E852-T871 PolarHBondContact OE1-OG1 2.9Å; E852-H873 IonicContact OE1-CD2 3.79Å; E852-H873 IonicContact OE1-CE1 2.71Å; E852-H873 IonicContact OE1-NE2 2.77Å; E852-H873 PolarHBondContact OE1-NE2 3.42Å
853V92.3Very high87.2Confident8 Ų864.3 Ų64.35%0.04834%0.335CS..EExtended strand (participates in β ladder)trans-140.9135.617962.90000111.5W841 I843 T856 Q868 I869 W870W841-V853 HydrophobicContact CB-CG1 3.57Å; W841-V853 HydrophobicContact CG-CG1 3.73Å; W841-V853 HydrophobicContact CG-CG2 4.38Å; I843-V853 HydrophobicContact CD1-CG1 4.06Å; V853-T856 PolarHBondContact O-N 2.87Å; V853-T856 PolarHBondContact O-OG1 2.87Å; V853-Q868 HydrophobicContact CG2-CB 4.05Å; V853-I869 WeakPolarHBondContact CA-O 3.41Å; V853-W870 HydrophobicContact CB-CD2 3.83Å; V853-W870 HydrophobicContact CB-CE3 3.79Å; V853-W870 HydrophobicContact CB-CG 4.47Å; V853-W870 HydrophobicContact CB-CH2 3.94Å; V853-W870 HydrophobicContact CB-CZ2 3.98Å; V853-W870 HydrophobicContact CB-CZ3 3.85Å; V853-W870 HydrophobicContact CG1-CH2 4.08Å; V853-W870 HydrophobicContact CG1-CZ2 4.37Å; V853-W870 HydrophobicContact CG1-CZ3 4.25Å; V853-W870 HydrophobicContact CG2-CD2 3.78Å; V853-W870 VanDerWaalsContact CG2-CE2 3.49Å; V853-W870 HydrophobicContact CG2-CE3 4.27Å; V853-W870 HydrophobicContact CG2-CG 4.16Å; V853-W870 HydrophobicContact CG2-CH2 4.22Å; V853-W870 HydrophobicContact CG2-CZ2 3.74Å; V853-W870 HydrophobicContact CG2-CZ3 4.47Å
854Y89.6Confident87.1Confident148 Ų14864.8 Ų64.858%0.5834%0.337SS*.EExtended strand (participates in β ladder)trans-126.8131.4173.5-178.7-94.4000111.7I869Y854-I869 PolarHBondContact N-O 2.88Å; Y854-I869 PolarHBondContact O-N 2.67Å
855P92.4Very high87.2Confident30 Ų3061.1 Ų61.120%0.19532%0.318CS..SBendcis-72.8141.4-731.5-36000112.3F839 K857 Q868F839-P855 HydrophobicContact CZ-CG 4.48Å; P855-K857 VanDerWaalsContact C-N 3.28Å; P855-K857 PolarHBondContact O-N 3.1Å; P855-Q868 PolarHBondContact O-OE1 2.89Å; P855-Q868 VanDerWaalsContact O-OE1 3.1Å
856T88.6Confident87.7Confident80 Ų8058.8 Ų58.849%0.49130%0.297SS..SBendtrans-71.7-25.5177.5-40.60000112.6C840 W841 V853C840-T856 WeakPolarHBondContact CA-O 3.39Å; W841-T856 PolarHBondContact N-O 3.19Å; V853-T856 PolarHBondContact O-N 2.87Å; V853-T856 PolarHBondContact O-OG1 2.87Å
857K92.4Very high88.1Confident160 Ų16054.2 Ų54.270%0.69628%0.275SS*.EExtended strand (participates in β ladder)trans-142.4147.717462.7177-177.4174.40109.9F839 C840 P855F839-K857 VanDerWaalsContact O-CA 3.3Å; F839-K857 WeakPolarHBondContact O-CA 3.46Å; C840-K857 HydrophobicContact CB-CB 4.1Å; P855-K857 VanDerWaalsContact C-N 3.28Å; P855-K857 PolarHBondContact O-N 3.1Å
858G91.1Very high88.3Confident18 Ų1852.3 Ų52.319%0.18627%0.265CS..EExtended strand (participates in β ladder)trans-167.8179.1-177.300000113.1F839F839-G858 VanDerWaalsContact CD1-O 3.26Å; F839-G858 WeakPolarHBondContact CD1-O 3.27Å; F839-G858 PolarHBondContact N-O 2.88Å; F839-G858 PolarHBondContact O-N 2.78Å
859V91.6Very high88.7Confident53 Ų5349.6 Ų49.632%0.32126%0.256SS..EExtended strand (participates in β ladder)trans-122.9131.9176.1-177.70000108.4K836 I837 E838 Q866 L891K836-V859 HydrophobicContact CD-CG1 4.1Å; K836-V859 HydrophobicContact CG-CG1 3.61Å; I837-V859 CarbonylContact O-C 3.35Å; I837-V859 WeakPolarHBondContact O-CA 3.37Å; E838-V859 HydrophobicContact CG-CG2 4.43Å; V859-Q866 PolarHBondContact O-NE2 2.88Å; V859-L891 HydrophobicContact CG1-CD2 4.3Å
860L88.2Confident89.2Confident0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-107.7121.6177-84.3158000109.4I804 I829 N831 I837 F839 E864 Q866I804-L860 HydrophobicContact CD1-CD1 3.54Å; I804-L860 HydrophobicContact CG1-CD1 4.04Å; I829-L860 HydrophobicContact CD1-CD1 3.73Å; I829-L860 HydrophobicContact CG1-CD1 4.01Å; N831-L860 HydrophobicContact CB-CB 3.94Å; N831-L860 HydrophobicContact CB-CD2 4.42Å; N831-L860 PolarHBondContact ND2-O 3.02Å; I837-L860 HydrophobicContact CB-CB 4.48Å; I837-L860 PolarHBondContact N-O 2.79Å; I837-L860 PolarHBondContact O-N 2.84Å; F839-L860 HydrophobicContact CD1-CD1 3.68Å; F839-L860 HydrophobicContact CD1-CG 3.99Å; F839-L860 HydrophobicContact CE1-CD1 3.94Å; F839-L860 HydrophobicContact CE1-CG 3.91Å; F839-L860 HydrophobicContact CG-CD1 4.47Å; L860-E864 HydrophobicContact CD2-CB 4.18Å; L860-E864 HydrophobicContact CD2-CG 4.28Å; L860-E864 WeakPolarHBondContact CD2-O 3.13Å; L860-Q866 HydrophobicContact CD2-CB 3.47Å; L860-Q866 VanDerWaalsContact CD2-CB 3.47Å; L860-Q866 HydrophobicContact CG-CB 4.41Å
861L89.1Confident89.4Confident42 Ų4242.4 Ų42.422%0.2222%0.218CC..  trans-73.6162.4172.2-63.8176.4000110.9Y306 I308 N831 K836 N863 E864Y306-L861 HydrophobicContact CD1-CD1 4.09Å; Y306-L861 HydrophobicContact CE1-CD1 3.73Å; I308-L861 HydrophobicContact CD1-CB 3.67Å; I308-L861 HydrophobicContact CD1-CD1 3.91Å; I308-L861 HydrophobicContact CD1-CG 4.43Å; N831-L861 WeakPolarHBondContact CB-O 3.5Å; N831-L861 VanDerWaalsContact ND2-C 3.34Å; N831-L861 PolarHBondContact ND2-O 2.81Å; K836-L861 HydrophobicContact CD-CD2 3.88Å; K836-L861 HydrophobicContact CG-CD2 4.1Å; L861-N863 PolarHBondContact O-N 2.82Å; L861-E864 HydrophobicContact CB-CB 4.16Å; L861-E864 WeakPolarHBondContact CB-OE2 3.5Å; L861-E864 PolarHBondContact N-OE2 2.97Å; L861-E864 WeakPolarHBondContact O-CB 3.37Å; L861-E864 PolarHBondContact O-N 2.83Å
862P83.7Confident89.4Confident31 Ų3142.4 Ų42.420%0.20122%0.218CC..THydrogen-bonded Turntrans-51.9134.9174.7-27.836.3000111.5P834 E864P834-P862 VanDerWaalsContact O-CG 3.23Å; P834-P862 WeakPolarHBondContact O-CG 3.16Å; P862-E864 PolarHBondContact O-N 2.86Å; P862-E864 VanDerWaalsContact O-N 3.07Å
863N81Confident89.3Confident27 Ų2741 Ų4114%0.14421%0.212CC..THydrogen-bonded Turntrans618.7-178.3-62.2-47000115.9A269 F271 I308 Y310 N831 L861A269-N863 WeakPolarHBondContact CB-OD1 3.42Å; F271-N863 HydrophobicContact CE2-CB 3.8Å; F271-N863 VanDerWaalsContact CE2-CG 3.45Å; F271-N863 VanDerWaalsContact CE2-ND2 3.3Å; F271-N863 WeakPolarHBondContact CE2-ND2 3.41Å; F271-N863 HydrophobicContact CZ-CB 4.42Å; I308-N863 VanDerWaalsContact O-CB 3.28Å; I308-N863 WeakPolarHBondContact O-CB 3.46Å; Y310-N863 WeakPolarHBondContact CE2-O 3.35Å; N831-N863 CarbonylContact O-C 3.29Å; N831-N863 WeakPolarHBondContact O-CA 3.2Å; N831-N863 PolarHBondContact O-N 3.4Å; L861-N863 PolarHBondContact O-N 2.82Å
864E87.1Confident89.1Confident24 Ų2440.7 Ų40.711%0.11221%0.21CC..  trans-76.5130.7-178.4-170.7162.4-14300112.2I308 K325 T830 N831 L860 L861 P862I308-E864 HydrophobicContact CD1-CB 4Å; I308-E864 HydrophobicContact CD1-CG 4.28Å; K325-E864 IonicContact NZ-OE1 2.79Å; K325-E864 PolarHBondContact NZ-OE1 2.91Å; T830-E864 WeakPolarHBondContact CA-O 3.44Å; N831-E864 PolarHBondContact N-O 2.85Å; L860-E864 HydrophobicContact CD2-CB 4.18Å; L860-E864 HydrophobicContact CD2-CG 4.28Å; L860-E864 WeakPolarHBondContact CD2-O 3.13Å; L861-E864 HydrophobicContact CB-CB 4.16Å; L861-E864 WeakPolarHBondContact CB-OE2 3.5Å; L861-E864 PolarHBondContact N-OE2 2.97Å; L861-E864 WeakPolarHBondContact O-CB 3.37Å; L861-E864 PolarHBondContact O-N 2.83Å; P862-E864 PolarHBondContact O-N 2.86Å; P862-E864 VanDerWaalsContact O-N 3.07Å
865I87.5Confident88.7Confident25 Ų2537.5 Ų37.513%0.12821%0.206CC..EExtended strand (participates in β ladder)trans-94.2119.6163.8-55.3173.6000106.8V265 Y310 M323 N828 I829 T830V265-I865 HydrophobicContact CG1-CD1 3.99Å; Y310-I865 HydrophobicContact CD1-CD1 4.03Å; Y310-I865 HydrophobicContact CD2-CD1 3.88Å; Y310-I865 HydrophobicContact CD2-CG1 3.99Å; Y310-I865 HydrophobicContact CE1-CB 4.23Å; Y310-I865 HydrophobicContact CE1-CD1 4.3Å; Y310-I865 HydrophobicContact CE1-CG1 4.44Å; Y310-I865 HydrophobicContact CE2-CB 4.15Å; Y310-I865 HydrophobicContact CE2-CD1 4.21Å; Y310-I865 HydrophobicContact CE2-CG1 3.86Å; Y310-I865 HydrophobicContact CG-CD1 3.79Å; Y310-I865 HydrophobicContact CG-CG1 4.36Å; Y310-I865 PolarHBondContact OH-N 3.09Å; Y310-I865 PolarHBondContact OH-O 2.88Å; M323-I865 HydrophobicContact CE-CD1 3.56Å; N828-I865 HydrophobicContact CB-CG2 3.72Å; I829-I865 WeakPolarHBondContact O-CA 3.32Å; T830-I865 HydrophobicContact CG2-CG1 3.74Å
866Q88.2Confident88.3Confident41 Ų4142.8 Ų42.819%0.19223%0.228CC..EExtended strand (participates in β ladder)trans-117.5125.2175.9-167.7179.784.200110.3I829 V859 L860I829-Q866 HydrophobicContact CG1-CB 4.36Å; I829-Q866 WeakPolarHBondContact CG1-O 3.37Å; I829-Q866 PolarHBondContact N-O 2.8Å; I829-Q866 PolarHBondContact O-N 2.9Å; V859-Q866 PolarHBondContact O-NE2 2.88Å; L860-Q866 HydrophobicContact CD2-CB 3.47Å; L860-Q866 VanDerWaalsContact CD2-CB 3.47Å; L860-Q866 HydrophobicContact CG-CB 4.41Å
867S88.6Confident87.9Confident36 Ų3643.4 Ų43.425%0.25223%0.231SC..EExtended strand (participates in β ladder)trans-73.3131.8174.2166.10000111.4E826 N828E826-S867 WeakPolarHBondContact CG-OG 3.35Å; E826-S867 WeakPolarHBondContact OE1-CB 3.46Å; E826-S867 PolarHBondContact OE1-OG 2.7Å; N828-S867 WeakPolarHBondContact OD1-CA 3.24Å
868Q90.7Very high87.5Confident0 Ų037.6 Ų37.60%021%0.213CC..EExtended strand (participates in β ladder)trans-111.8126.1171.3-48.7-61.8-61.100108E826 F827 I829 V853 P855 W870E826-Q868 WeakPolarHBondContact CA-O 3.18Å; F827-Q868 PolarHBondContact N-O 3.04Å; F827-Q868 WeakPolarHBondContact O-CB 3.35Å; F827-Q868 PolarHBondContact O-N 2.78Å; I829-Q868 HydrophobicContact CD1-CG 3.97Å; I829-Q868 HydrophobicContact CG1-CG 4Å; I829-Q868 HydrophobicContact CG2-CG 4.25Å; V853-Q868 HydrophobicContact CG2-CB 4.05Å; P855-Q868 PolarHBondContact O-OE1 2.89Å; P855-Q868 VanDerWaalsContact O-OE1 3.1Å; Q868-W870 PolarHBondContact O-N 3.49Å
869I91Very high87.2Confident69 Ų6942.5 Ų42.535%0.35424%0.235SC..EExtended strand (participates in β ladder)trans-90.2109.4175.4-58.1174.6000107.1Q824 V853 Y854Q824-I869 HydrophobicContact CB-CG2 4.22Å; Q824-I869 HydrophobicContact CG-CG2 4.16Å; V853-I869 WeakPolarHBondContact CA-O 3.41Å; Y854-I869 PolarHBondContact N-O 2.88Å; Y854-I869 PolarHBondContact O-N 2.67Å
870W93.5Very high87Confident0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-92.3133.5172.2-71.381.3000109.5L812 F814 Q824 K825 W841 I843 L851 E852 V853 Q868 P884 L906L812-W870 HydrophobicContact CD2-CB 3.74Å; L812-W870 HydrophobicContact CD2-CD2 3.84Å; L812-W870 HydrophobicContact CD2-CG 3.43Å; L812-W870 VanDerWaalsContact CD2-CG 3.43Å; F814-W870 HydrophobicContact CE2-CB 4.11Å; F814-W870 HydrophobicContact CZ-CB 3.56Å; F814-W870 WeakPolarHBondContact CZ-O 3.32Å; Q824-W870 CarbonylContact C-O 3.44Å; Q824-W870 VanDerWaalsContact CA-O 3.24Å; Q824-W870 WeakPolarHBondContact CA-O 3.22Å; K825-W870 PolarHBondContact N-O 3.23Å; K825-W870 PolarHBondContact O-N 2.91Å; W841-W870 HydrophobicContact CD2-CH2 4.04Å; W841-W870 AromaticContact CD2-CZ2 3.69Å; W841-W870 HydrophobicContact CD2-CZ2 3.69Å; W841-W870 AromaticContact CE2-CZ2 3.74Å; W841-W870 AromaticContact CE3-CH2 3.75Å; W841-W870 HydrophobicContact CE3-CH2 3.75Å; W841-W870 AromaticContact CE3-CZ2 3.63Å; W841-W870 HydrophobicContact CE3-CZ2 3.63Å; W841-W870 HydrophobicContact CG-CZ2 4.42Å; W841-W870 AromaticContact CH2-CZ2 3.73Å; W841-W870 HydrophobicContact CH2-CZ2 3.73Å; W841-W870 AromaticContact CZ2-CZ2 3.78Å; W841-W870 HydrophobicContact CZ2-CZ2 3.78Å; W841-W870 HydrophobicContact CZ3-CH2 4.02Å; W841-W870 AromaticContact CZ3-CZ2 3.64Å; W841-W870 HydrophobicContact CZ3-CZ2 3.64Å; I843-W870 HydrophobicContact CD1-CZ3 4.08Å; L851-W870 HydrophobicContact CD1-CE3 3.95Å; L851-W870 HydrophobicContact CD1-CZ3 4.41Å; L851-W870 HydrophobicContact CD2-CE3 4.09Å; L851-W870 HydrophobicContact CD2-CZ3 3.71Å; L851-W870 HydrophobicContact CG-CE3 3.95Å; L851-W870 HydrophobicContact CG-CZ3 3.94Å; E852-W870 WeakPolarHBondContact O-CA 3.22Å; V853-W870 HydrophobicContact CB-CD2 3.83Å; V853-W870 HydrophobicContact CB-CE3 3.79Å; V853-W870 HydrophobicContact CB-CG 4.47Å; V853-W870 HydrophobicContact CB-CH2 3.94Å; V853-W870 HydrophobicContact CB-CZ2 3.98Å; V853-W870 HydrophobicContact CB-CZ3 3.85Å; V853-W870 HydrophobicContact CG1-CH2 4.08Å; V853-W870 HydrophobicContact CG1-CZ2 4.37Å; V853-W870 HydrophobicContact CG1-CZ3 4.25Å; V853-W870 HydrophobicContact CG2-CD2 3.78Å; V853-W870 VanDerWaalsContact CG2-CE2 3.49Å; V853-W870 HydrophobicContact CG2-CE3 4.27Å; V853-W870 HydrophobicContact CG2-CG 4.16Å; V853-W870 HydrophobicContact CG2-CH2 4.22Å; V853-W870 HydrophobicContact CG2-CZ2 3.74Å; V853-W870 HydrophobicContact CG2-CZ3 4.47Å; Q868-W870 PolarHBondContact O-N 3.49Å; W870-P884 HydrophobicContact CH2-CB 3.71Å; W870-P884 HydrophobicContact CH2-CG 3.46Å; W870-P884 VanDerWaalsContact CH2-CG 3.46Å; W870-P884 HydrophobicContact CZ2-CG 4.4Å; W870-P884 HydrophobicContact CZ3-CB 4.16Å; W870-P884 HydrophobicContact CZ3-CG 3.77Å; W870-L906 HydrophobicContact CD2-CD2 4.33Å; W870-L906 HydrophobicContact CH2-CD2 3.89Å; W870-L906 HydrophobicContact CZ2-CD2 3.28Å
871T89.9Confident87Confident6 Ų646 Ų464%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-117.1133.9173.2-38.40000110Y822 T823 Q824 E852 H873Y822-T871 HydrophobicContact CD2-CG2 3.56Å; Y822-T871 HydrophobicContact CE2-CG2 4.44Å; Y822-T871 HydrophobicContact CG-CG2 4.09Å; T823-T871 WeakPolarHBondContact O-CA 3.3Å; Q824-T871 HydrophobicContact CG-CG2 3.69Å; Q824-T871 PolarHBondContact NE2-OG1 3Å; E852-T871 VanDerWaalsContact CG-CB 3.44Å; E852-T871 HydrophobicContact CG-CG2 4.48Å; E852-T871 PolarHBondContact N-O 2.84Å; E852-T871 PolarHBondContact O-N 3.25Å; E852-T871 WeakPolarHBondContact OE1-CB 3.5Å; E852-T871 PolarHBondContact OE1-OG1 2.9Å; T871-H873 WeakPolarHBondContact CG2-NE2 3.19Å
872F91.5Very high87.1Confident1 Ų144.4 Ų44.40%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-113.8125.6174.8173.6-123.1000110.4F814 T817 Y822 T823 E850 P874 Y882 T910F814-F872 HydrophobicContact CD1-CB 3.81Å; F814-F872 HydrophobicContact CD2-CB 4.41Å; F814-F872 HydrophobicContact CE1-CB 3.76Å; F814-F872 HydrophobicContact CE2-CB 4.36Å; F814-F872 HydrophobicContact CG-CB 4.12Å; F814-F872 HydrophobicContact CZ-CB 4.02Å; T817-F872 HydrophobicContact CG2-CD1 4.46Å; Y822-F872 CarbonylContact C-O 3.57Å; Y822-F872 WeakPolarHBondContact CA-O 3.32Å; T823-F872 PolarHBondContact N-O 3.1Å; T823-F872 PolarHBondContact O-N 3.07Å; E850-F872 HydrophobicContact CB-CE2 4.32Å; E850-F872 CarbonylContact O-C 3.5Å; E850-F872 WeakPolarHBondContact O-CA 3.08Å; E850-F872 WeakPolarHBondContact O-CD2 3.29Å; F872-P874 HydrophobicContact CD1-CG 4.37Å; F872-P874 HydrophobicContact CE1-CB 3.78Å; F872-P874 HydrophobicContact CE1-CG 3.83Å; F872-P874 HydrophobicContact CE2-CB 4.29Å; F872-P874 HydrophobicContact CZ-CB 3.57Å; F872-P874 HydrophobicContact CZ-CG 4.13Å; F872-Y882 HydrophobicContact CD2-CE2 4.3Å; F872-Y882 AromaticContact CE2-CE2 3.89Å; F872-Y882 HydrophobicContact CE2-CE2 3.89Å; F872-T910 HydrophobicContact CD1-CG2 4.06Å; F872-T910 HydrophobicContact CD2-CG2 3.89Å; F872-T910 HydrophobicContact CE1-CG2 4.11Å; F872-T910 HydrophobicContact CE2-CG2 3.95Å; F872-T910 HydrophobicContact CG-CG2 3.94Å; F872-T910 HydrophobicContact CZ-CG2 4.04Å
873H87.6Confident87.5Confident61 Ų6147.9 Ų47.928%0.28226%0.257SS..  trans-121.681-177-60.6-86.2000110Y822 E850 E852 T871 T875Y822-H873 VanDerWaalsContact CB-CE1 3.44Å; Y822-H873 WeakPolarHBondContact CB-CE1 3.36Å; Y822-H873 WeakPolarHBondContact CB-ND1 3.3Å; Y822-H873 AromaticContact CG-CE1 3.93Å; E850-H873 WeakPolarHBondContact CA-O 3.5Å; E850-H873 PolarHBondContact O-N 3.05Å; E852-H873 IonicContact OE1-CD2 3.79Å; E852-H873 IonicContact OE1-CE1 2.71Å; E852-H873 IonicContact OE1-NE2 2.77Å; E852-H873 PolarHBondContact OE1-NE2 3.42Å; T871-H873 WeakPolarHBondContact CG2-NE2 3.19Å; H873-T875 PolarHBondContact O-N 2.77Å
874P87.2Confident88Confident2 Ų246.8 Ų46.81%0.01325%0.251CS..  trans-64.9132.2-176.323.2-32.9000113.2T817 H818 G820 S821 F872 S912T817-P874 HydrophobicContact CG2-CG 3.76Å; H818-P874 WeakPolarHBondContact O-CG 3.32Å; G820-P874 PolarHBondContact N-O 2.93Å; S821-P874 WeakPolarHBondContact O-CD 3.33Å; F872-P874 HydrophobicContact CD1-CG 4.37Å; F872-P874 HydrophobicContact CE1-CB 3.78Å; F872-P874 HydrophobicContact CE1-CG 3.83Å; F872-P874 HydrophobicContact CE2-CB 4.29Å; F872-P874 HydrophobicContact CZ-CB 3.57Å; F872-P874 HydrophobicContact CZ-CG 4.13Å; P874-S912 VanDerWaalsContact CB-CB 3.49Å
875T81.6Confident88.4Confident81 Ų8151.1 Ų51.150%0.49727%0.267SS..  trans-102.5-23.9175.266.90000113.7E850 H873E850-T875 HydrophobicContact CG-CG2 4.07Å; E850-T875 WeakPolarHBondContact OE1-CB 3.21Å; E850-T875 PolarHBondContact OE1-N 3.02Å; E850-T875 PolarHBondContact OE1-OG1 2.86Å; H873-T875 PolarHBondContact O-N 2.77Å
876Q83.6Confident88.7Confident142 Ų14249.9 Ų49.966%0.66426%0.26SS*.SBendtrans-134.2160.8-179.1-60.9-178.411.100111.3A878 S912Q876-A878 PolarHBondContact O-N 2.86Å; Q876-S912 PolarHBondContact O-OG 3.44Å
877V81.1Confident88.9Confident92 Ų9249.5 Ų49.556%0.55826%0.259SS*.SBendtrans-78.7103.3175.6178.10000108.6I819I819-V877 HydrophobicContact CD1-CB 4.24Å; I819-V877 HydrophobicContact CD1-CG2 3.23Å; I819-V877 HydrophobicContact CG1-CG2 4.34Å
878A83.3Confident89.1Confident38 Ų3848.2 Ų48.231%0.31425%0.249SC..  trans-157.6157.2177.200000113.1Q876 C880 S912Q876-A878 PolarHBondContact O-N 2.86Å; A878-C880 VanDerWaalsContact CB-SG 3.58Å; A878-S912 PolarHBondContact N-OG 2.97Å; A878-S912 PolarHBondContact O-N 3.45Å; A878-S912 PolarHBondContact O-OG 3.1Å
879N86Confident89Confident122 Ų12250.6 Ų50.665%0.65226%0.258SS*.EExtended strand (participates in β ladder)trans-97.2106.3164.1-66.8-14000107.7T910 M911N879-T910 WeakPolarHBondContact CA-O 3.36Å; N879-M911 WeakPolarHBondContact OD1-CB 2.98Å; N879-M911 WeakPolarHBondContact OD1-CG 3.38Å
880C85.7Confident88.8Confident39 Ų3948.2 Ų48.226%0.26424%0.244SC..EExtended strand (participates in β ladder)trans-113147-173.4-67.80000111.2A878 Y882 T910A878-C880 VanDerWaalsContact CB-SG 3.58Å; C880-Y882 HydrophobicContact CB-CE1 4.46Å; C880-Y882 HydrophobicContact CB-CE2 3.8Å; C880-T910 WeakPolarHBondContact CB-OG1 3.31Å; C880-T910 PolarHBondContact N-O 2.92Å; C880-T910 VanDerWaalsContact N-O 3.12Å; C880-T910 PolarHBondContact O-N 2.83Å; C880-T910 PolarHBondContact O-OG1 3.31Å
881I89.6Confident88.2Confident87 Ų8750.5 Ų50.545%0.44626%0.256SS..EExtended strand (participates in β ladder)trans-119.7111.3172.2-58.5174.6000107.6R907 V908 I909I881-R907 HydrophobicContact CG2-CG 3.74Å; I881-V908 CarbonylContact C-O 3.57Å; I881-V908 VanDerWaalsContact CA-O 3.29Å; I881-V908 WeakPolarHBondContact CA-O 3.47Å; I881-I909 HydrophobicContact CG1-CG1 4.45Å
882Y90.6Very high87Confident8 Ų853 Ų533%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-94.8150.7174.2-49.2-87000110.4D847 E850 L851 F872 C880 V908 T910D847-Y882 HydrophobicContact CB-CD1 3.84Å; D847-Y882 HydrophobicContact CB-CE1 4.2Å; E850-Y882 PolarHBondContact OE2-OH 3.11Å; L851-Y882 HydrophobicContact CD2-CD2 4.31Å; L851-Y882 HydrophobicContact CD2-CG 4.04Å; F872-Y882 HydrophobicContact CD2-CE2 4.3Å; F872-Y882 AromaticContact CE2-CE2 3.89Å; F872-Y882 HydrophobicContact CE2-CE2 3.89Å; C880-Y882 HydrophobicContact CB-CE1 4.46Å; C880-Y882 HydrophobicContact CB-CE2 3.8Å; Y882-V908 HydrophobicContact CD2-CB 4.47Å; Y882-V908 HydrophobicContact CD2-CG1 4.45Å; Y882-V908 PolarHBondContact N-O 2.85Å; Y882-V908 PolarHBondContact O-N 2.8Å; Y882-T910 HydrophobicContact CD2-CG2 4Å; Y882-T910 HydrophobicContact CE2-CG2 3.75Å; Y882-T910 WeakPolarHBondContact CE2-OG1 3.3Å
883K91.5Very high85.3Confident105 Ų10562.3 Ų62.346%0.45731%0.313SS..  trans-128.357.1-176-72167.5163.5-106.10112.3E905 L906K883-E905 HydrophobicContact CB-CG 3.88Å; K883-E905 WeakPolarHBondContact CD-OE1 3.39Å; K883-E905 WeakPolarHBondContact CE-OE1 3.47Å; K883-E905 HydrophobicContact CG-CG 4.28Å; K883-E905 WeakPolarHBondContact CG-OE1 3.38Å; K883-E905 IonicContact NZ-OE1 3.97Å; K883-E905 PolarHBondContact NZ-OE1 2.8Å; K883-L906 WeakPolarHBondContact CA-O 3.43Å
884P93.1Very high83.5Confident3 Ų361.1 Ų61.12%0.01931%0.312CS..  trans-60.5148.6176.425.4-34.8000112.1W841 E842 I843 L851 W870 L906 V908W841-P884 HydrophobicContact CE3-CB 4.41Å; E842-P884 WeakPolarHBondContact O-CA 3.39Å; I843-P884 HydrophobicContact CG1-CB 4.04Å; L851-P884 HydrophobicContact CD2-CG 4.23Å; W870-P884 HydrophobicContact CH2-CB 3.71Å; W870-P884 HydrophobicContact CH2-CG 3.46Å; W870-P884 VanDerWaalsContact CH2-CG 3.46Å; W870-P884 HydrophobicContact CZ2-CG 4.4Å; W870-P884 HydrophobicContact CZ3-CB 4.16Å; W870-P884 HydrophobicContact CZ3-CG 3.77Å; P884-L906 WeakPolarHBondContact CD-O 3.14Å; P884-L906 HydrophobicContact CG-CB 4.18Å; P884-L906 HydrophobicContact CG-CD2 4.29Å; P884-L906 PolarHBondContact O-N 2.56Å; P884-V908 HydrophobicContact CG-CG2 3.79Å
885R93.6Very high81.4Confident115 Ų11565.1 Ų65.143%0.43433%0.333SS..EExtended strand (participates in β ladder)trans-106.5126.4-178.1-65.2178.9174.2175.5-2.1110.3E842 K904E842-R885 HydrophobicContact CB-CB 4.41Å; E842-R885 PolarHBondContact N-O 3.08Å; E842-R885 PolarHBondContact O-N 3.49Å; R885-K904 CarbonylContact C-O 3.25Å; R885-K904 WeakPolarHBondContact CA-O 3.39Å
886L94.2Very high79.5Confident0 Ų066.7 Ų66.70%034%0.335CS..EExtended strand (participates in β ladder)trans-87111.2166178.863.6000108.4I804 L806 I829 F839 W841 Y888 Q903 K904I804-L886 HydrophobicContact CB-CD2 4.25Å; I804-L886 HydrophobicContact CD1-CD2 4.11Å; I804-L886 HydrophobicContact CG2-CD2 3.79Å; L806-L886 HydrophobicContact CD2-CD2 3.72Å; I829-L886 HydrophobicContact CG2-CD2 4.39Å; F839-L886 HydrophobicContact CB-CD1 3.87Å; F839-L886 HydrophobicContact CD2-CD1 3.54Å; F839-L886 HydrophobicContact CE2-CD1 4.49Å; F839-L886 HydrophobicContact CG-CD1 4.04Å; W841-L886 HydrophobicContact CD2-CB 4.39Å; W841-L886 HydrophobicContact CD2-CD1 3.99Å; W841-L886 HydrophobicContact CE3-CB 3.93Å; W841-L886 HydrophobicContact CE3-CD1 4.39Å; W841-L886 HydrophobicContact CG-CD1 4.46Å; W841-L886 HydrophobicContact CH2-CB 3.78Å; W841-L886 HydrophobicContact CH2-CD1 4.4Å; W841-L886 HydrophobicContact CH2-CD2 4.45Å; W841-L886 HydrophobicContact CH2-CG 4.44Å; W841-L886 HydrophobicContact CZ2-CB 4.24Å; W841-L886 HydrophobicContact CZ2-CD1 3.99Å; W841-L886 HydrophobicContact CZ2-CD2 4.4Å; W841-L886 HydrophobicContact CZ2-CG 4.44Å; W841-L886 HydrophobicContact CZ3-CB 3.62Å; L886-Y888 HydrophobicContact CD2-CD1 4.43Å; L886-Y888 HydrophobicContact CG-CD1 4.2Å; L886-Q903 CarbonylContact O-C 3.52Å; L886-Q903 VanDerWaalsContact O-CA 3.23Å; L886-Q903 WeakPolarHBondContact O-CA 3.36Å; L886-K904 PolarHBondContact N-O 3.13Å; L886-K904 PolarHBondContact O-N 3.06Å
887I92.9Very high77.5Confident32 Ų3265.5 Ų65.516%0.16433%0.325CS..EExtended strand (participates in β ladder)trans-99.5129.8175.2-54.9176000107.9F839 C840 E842 W889 I901 K902F839-I887 CarbonylContact C-O 3.47Å; F839-I887 VanDerWaalsContact CA-O 3.25Å; F839-I887 WeakPolarHBondContact CA-O 3.4Å; C840-I887 PolarHBondContact N-O 3.1Å; C840-I887 PolarHBondContact O-N 2.83Å; E842-I887 HydrophobicContact CB-CD1 4.03Å; I887-W889 HydrophobicContact CG2-CE3 4.28Å; I887-W889 HydrophobicContact CG2-CZ3 4.02Å; I887-I901 HydrophobicContact CG2-CG2 3.24Å; I887-K902 WeakPolarHBondContact CA-O 3.49Å
888Y92.9Very high76Confident10 Ų1065.1 Ų65.14%0.03933%0.327CS..EExtended strand (participates in β ladder)trans-149.5153.7-177.166.4-82.5000113I804 I837 E838 L886 K902 K904I804-Y888 HydrophobicContact CD1-CD1 4.25Å; I804-Y888 HydrophobicContact CD1-CD2 3.98Å; I804-Y888 HydrophobicContact CD1-CG 3.7Å; I804-Y888 HydrophobicContact CG1-CD2 3.99Å; I804-Y888 HydrophobicContact CG1-CE2 4.33Å; I804-Y888 HydrophobicContact CG1-CG 4.17Å; I837-Y888 HydrophobicContact CD1-CD2 4.42Å; I837-Y888 HydrophobicContact CG2-CD2 3.98Å; I837-Y888 HydrophobicContact CG2-CG 4.35Å; E838-Y888 VanDerWaalsContact O-CA 3.26Å; E838-Y888 WeakPolarHBondContact O-CA 3.22Å; E838-Y888 WeakPolarHBondContact O-CB 3.43Å; L886-Y888 HydrophobicContact CD2-CD1 4.43Å; L886-Y888 HydrophobicContact CG-CD1 4.2Å; Y888-K902 HydrophobicContact CD1-CB 4.24Å; Y888-K902 HydrophobicContact CD2-CB 4.2Å; Y888-K902 HydrophobicContact CE1-CB 3.76Å; Y888-K902 HydrophobicContact CE2-CB 3.72Å; Y888-K902 HydrophobicContact CE2-CD 3.84Å; Y888-K902 HydrophobicContact CE2-CG 4.4Å; Y888-K902 HydrophobicContact CG-CB 4.44Å; Y888-K902 VanDerWaalsContact CZ-CB 3.47Å; Y888-K902 PolarHBondContact N-O 3.45Å; Y888-K902 PolarHBondContact O-N 2.85Å; Y888-K904 HydrophobicContact CE1-CG 4.16Å
889W88.9Confident74.6Confident49 Ų4966.5 Ų66.519%0.18633%0.326CS..EExtended strand (participates in β ladder)trans-151156.1178.957.389.7000111.1I837 E838 I887 L891 H899I837-W889 WeakPolarHBondContact CA-O 3.23Å; I837-W889 WeakPolarHBondContact CG2-O 3.15Å; E838-W889 HydrophobicContact CB-CZ2 4.19Å; E838-W889 HydrophobicContact CG-CH2 4.45Å; E838-W889 HydrophobicContact CG-CZ2 3.75Å; E838-W889 PolarHBondContact N-O 2.74Å; E838-W889 PolarHBondContact O-N 3.14Å; E838-W889 VanDerWaalsContact OE2-CZ2 3.31Å; E838-W889 WeakPolarHBondContact OE2-CZ2 3.35Å; E838-W889 PolarHBondContact OE2-NE1 3.41Å; E838-W889 VanDerWaalsContact OE2-NE1 3.11Å; I887-W889 HydrophobicContact CG2-CE3 4.28Å; I887-W889 HydrophobicContact CG2-CZ3 4.02Å; W889-L891 PolarHBondContact O-N 2.74Å; W889-H899 HydrophobicContact CB-CB 4.07Å; W889-H899 AromaticContact CD1-CD2 3.17Å; W889-H899 AromaticContact CD1-CG 3.87Å; W889-H899 AromaticContact CD1-NE2 3.58Å; W889-H899 HydrophobicContact CG-CB 4.28Å; W889-H899 AromaticContact CG-CD2 3.72Å
890R86.9Confident73.7Confident19 Ų1965.9 Ų65.97%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-63.7129.7172.9171.6172165.3-169.5-10.6109.9E690 Y691 E693 A802 Y835 H899E690-R890 VanDerWaalsContact OE2-CD 3.31Å; E690-R890 WeakPolarHBondContact OE2-CD 3.24Å; Y691-R890 HydrophobicContact CE2-CB 4.5Å; E693-R890 IonicContact OE1-CZ 2.56Å; E693-R890 IonicContact OE1-NH1 3.94Å; E693-R890 PolarHBondContact OE1-NH1 2.82Å; E693-R890 IonicContact OE1-NH2 3.78Å; E693-R890 PolarHBondContact OE1-NH2 2.9Å; E693-R890 IonicContact OE2-CZ 3.38Å; E693-R890 IonicContact OE2-NH1 3.75Å; E693-R890 IonicContact OE2-NH2 2.91Å; E693-R890 PolarHBondContact OE2-NH2 3.25Å; A802-R890 HydrophobicContact CB-CB 4.04Å; Y835-R890 VanDerWaalsContact CE1-NH1 3.29Å; Y835-R890 HydrophobicContact CG-CG 4.24Å; R890-H899 PolarHBondContact O-CD2 2.81Å
891L80.9Confident73.4Confident48 Ų4869.3 Ų69.325%0.25133%0.334SS..  trans-83.6113.4172.9-170.378.2000109K836 E838 V859 W889K836-L891 HydrophobicContact CB-CB 4.47Å; K836-L891 HydrophobicContact CD-CD2 3.79Å; K836-L891 HydrophobicContact CG-CB 4.27Å; K836-L891 HydrophobicContact CG-CD2 3.97Å; K836-L891 WeakPolarHBondContact O-CB 3.26Å; K836-L891 PolarHBondContact O-N 2.88Å; E838-L891 HydrophobicContact CB-CD1 4.18Å; V859-L891 HydrophobicContact CG1-CD2 4.3Å; W889-L891 PolarHBondContact O-N 2.74Å
892N64.4Low73.2Confident60 Ų6066.5 Ų66.532%0.32132%0.319SS..  trans-96.1154.3178.1-139.814.9000110.9S894N892-S894 WeakPolarHBondContact CB-O 3.22Å
893Q55.6Low73.2Confident195 Ų19572 Ų7291%0.91135%0.345SS*.SBendtrans-73.3-35.9177.7-72.9-177000111.8
894S50.3Low73.1Confident37 Ų3769.8 Ų69.826%0.25934%0.335SS..SBendtrans-88.1117.3166.154.40000107.9N892 Q896N892-S894 WeakPolarHBondContact CB-O 3.22Å; S894-Q896 PolarHBondContact O-N 2.79Å
895N42Very low73Confident86 Ų8674 Ų7446%0.4636%0.355SS..  trans-68.137.2174.6-82.4-27.1000112.5Y482Y482-N895 HydrophobicContact CD1-CB 4.48Å
896Q42Very low73Confident113 Ų11368.6 Ų68.653%0.52833%0.334SS..  trans-77.9130.3177.3-72-176.5200110.4S894 S898S894-Q896 PolarHBondContact O-N 2.79Å; Q896-S898 PolarHBondContact O-N 2.91Å
897Y42.9Very low73Confident118 Ų11873.1 Ų73.146%0.46335%0.351SS..SBendtrans-73.897.3-165.9-69.2-89.6000114Q480 Y482Q480-Y897 HydrophobicContact CG-CD2 4.35Å; Q480-Y897 HydrophobicContact CG-CE2 4.32Å; Y482-Y897 AromaticContact CD2-CE2 3.73Å; Y482-Y897 HydrophobicContact CD2-CE2 3.73Å; Y482-Y897 AromaticContact CE2-CE2 3.83Å; Y482-Y897 HydrophobicContact CE2-CE2 3.83Å; Y482-Y897 AromaticContact CE2-CZ 3.65Å; Y482-Y897 WeakPolarHBondContact CE2-OH 3.41Å; Y482-Y897 PolarHBondContact OH-OH 2.83Å
898S47.9Very low73Confident84 Ų8471.6 Ų71.659%0.58734%0.343SS*.  trans-159.458.815268.40000110.7Q896 E900Q896-S898 PolarHBondContact O-N 2.91Å; S898-E900 PolarHBondContact O-N 2.83Å; S898-E900 VanDerWaalsContact O-N 3.14Å
899H55Low72.9Confident67 Ų6772.9 Ų72.931%0.3135%0.351SS..  trans-73.5106174-61.499.1000108.4W889 R890 I901W889-H899 HydrophobicContact CB-CB 4.07Å; W889-H899 AromaticContact CD1-CD2 3.17Å; W889-H899 AromaticContact CD1-CG 3.87Å; W889-H899 AromaticContact CD1-NE2 3.58Å; W889-H899 HydrophobicContact CG-CB 4.28Å; W889-H899 AromaticContact CG-CD2 3.72Å; R890-H899 PolarHBondContact O-CD2 2.81Å; H899-I901 HydrophobicContact CB-CG1 4.31Å; H899-I901 PolarHBondContact O-N 2.8Å
900E67.3Low73Confident108 Ų10870.8 Ų70.851%0.50534%0.343SS..  trans-6893.8160.8-166.9175.5-166.200106.5Y691 S898 K902Y691-E900 HydrophobicContact CE1-CB 4.27Å; S898-E900 PolarHBondContact O-N 2.83Å; S898-E900 VanDerWaalsContact O-N 3.14Å; E900-K902 PolarHBondContact O-N 2.84Å
901I78.5Confident73.1Confident112 Ų11272.7 Ų72.757%0.57435%0.354SS*.  trans-66.6120.9-177.4-64.1172.3000108.2I887 H899I887-I901 HydrophobicContact CG2-CG2 3.24Å; H899-I901 HydrophobicContact CB-CG1 4.31Å; H899-I901 PolarHBondContact O-N 2.8Å
902K86Confident73.3Confident28 Ų2870.9 Ų70.912%0.12235%0.345CS..EExtended strand (participates in β ladder)trans-102.4151177.5-62.9174.3-162.41770109.6E690 A802 I887 Y888 E900E690-K902 IonicContact OE1-NZ 3.44Å; E690-K902 PolarHBondContact OE1-NZ 3.04Å; A802-K902 WeakPolarHBondContact O-CD 3.35Å; A802-K902 PolarHBondContact O-NZ 3.07Å; I887-K902 WeakPolarHBondContact CA-O 3.49Å; Y888-K902 HydrophobicContact CD1-CB 4.24Å; Y888-K902 HydrophobicContact CD2-CB 4.2Å; Y888-K902 HydrophobicContact CE1-CB 3.76Å; Y888-K902 HydrophobicContact CE2-CB 3.72Å; Y888-K902 HydrophobicContact CE2-CD 3.84Å; Y888-K902 HydrophobicContact CE2-CG 4.4Å; Y888-K902 HydrophobicContact CG-CB 4.44Å; Y888-K902 VanDerWaalsContact CZ-CB 3.47Å; Y888-K902 PolarHBondContact N-O 3.45Å; Y888-K902 PolarHBondContact O-N 2.85Å; E900-K902 PolarHBondContact O-N 2.84Å
903Q89.5Confident74.2Confident123 Ų12368.4 Ų68.458%0.57533%0.334SS*.EExtended strand (participates in β ladder)trans-135.1142.417960.6-178.9-1900111.5L886L886-Q903 CarbonylContact O-C 3.52Å; L886-Q903 VanDerWaalsContact O-CA 3.23Å; L886-Q903 WeakPolarHBondContact O-CA 3.36Å
904K90.2Very high75.6Confident59 Ų5964.3 Ų64.326%0.25732%0.318SS..EExtended strand (participates in β ladder)trans-128.4141.5167-76.5-172179.7-175.80109.6N803 I804 L806 R885 L886 Y888N803-K904 WeakPolarHBondContact OD1-CE 3.48Å; N803-K904 PolarHBondContact OD1-NZ 2.85Å; I804-K904 VanDerWaalsContact O-CD 3.24Å; I804-K904 WeakPolarHBondContact O-CD 3.33Å; I804-K904 VanDerWaalsContact O-CE 3.23Å; I804-K904 WeakPolarHBondContact O-CE 3.27Å; I804-K904 PolarHBondContact O-NZ 2.86Å; L806-K904 HydrophobicContact CD1-CB 4.1Å; L806-K904 HydrophobicContact CG-CD 4.45Å; R885-K904 CarbonylContact C-O 3.25Å; R885-K904 WeakPolarHBondContact CA-O 3.39Å; L886-K904 PolarHBondContact N-O 3.13Å; L886-K904 PolarHBondContact O-N 3.06Å; Y888-K904 HydrophobicContact CE1-CG 4.16Å
905E92.1Very high77.1Confident92 Ų9262.9 Ų62.943%0.4331%0.308SS..EExtended strand (participates in β ladder)trans-94.3129.6176.5-173.2175.211300109K883K883-E905 HydrophobicContact CB-CG 3.88Å; K883-E905 WeakPolarHBondContact CD-OE1 3.39Å; K883-E905 WeakPolarHBondContact CE-OE1 3.47Å; K883-E905 HydrophobicContact CG-CG 4.28Å; K883-E905 WeakPolarHBondContact CG-OE1 3.38Å; K883-E905 IonicContact NZ-OE1 3.97Å; K883-E905 PolarHBondContact NZ-OE1 2.8Å
906L93.4Very high79.2Confident0 Ų065.5 Ų65.50%032%0.317CS..  trans-98.8129.1170.2174.872.3000108.2L806 L812 F827 W841 W870 K883 P884 V908L806-L906 HydrophobicContact CD1-CB 4.26Å; L806-L906 HydrophobicContact CD1-CD1 4.35Å; L812-L906 HydrophobicContact CB-CD1 4.19Å; L812-L906 HydrophobicContact CB-CD2 4.41Å; L812-L906 HydrophobicContact CB-CG 4.47Å; L812-L906 HydrophobicContact CD2-CD2 4.21Å; F827-L906 HydrophobicContact CD1-CD1 4.35Å; F827-L906 HydrophobicContact CD1-CD2 4.5Å; F827-L906 HydrophobicContact CE1-CD1 3.64Å; F827-L906 HydrophobicContact CE1-CD2 4.46Å; F827-L906 HydrophobicContact CE2-CD1 3.8Å; F827-L906 HydrophobicContact CZ-CD1 3.31Å; W841-L906 HydrophobicContact CH2-CB 3.98Å; W841-L906 HydrophobicContact CH2-CD2 3.85Å; W841-L906 HydrophobicContact CH2-CG 4.45Å; W841-L906 HydrophobicContact CZ3-CB 3.81Å; W841-L906 HydrophobicContact CZ3-CD2 4.05Å; W870-L906 HydrophobicContact CD2-CD2 4.33Å; W870-L906 HydrophobicContact CH2-CD2 3.89Å; W870-L906 HydrophobicContact CZ2-CD2 3.28Å; K883-L906 WeakPolarHBondContact CA-O 3.43Å; P884-L906 WeakPolarHBondContact CD-O 3.14Å; P884-L906 HydrophobicContact CG-CB 4.18Å; P884-L906 HydrophobicContact CG-CD2 4.29Å; P884-L906 PolarHBondContact O-N 2.56Å; L906-V908 HydrophobicContact CD2-CG2 3.82Å; L906-V908 HydrophobicContact CG-CG2 3.94Å
907R94.2Very high81.3Confident95 Ų9560.5 Ų60.536%0.35829%0.294SS..EExtended strand (participates in β ladder)trans-95.2104.4176.7-172.3-178179.6-138.7-1.1109.5G810 E811 L812 I881 I909G810-R907 WeakPolarHBondContact O-CB 3.3Å; G810-R907 PolarHBondContact O-N 2.93Å; E811-R907 WeakPolarHBondContact CA-O 3.44Å; E811-R907 IonicContact OE1-CZ 3.9Å; E811-R907 IonicContact OE1-NH1 2.65Å; E811-R907 PolarHBondContact OE1-NH1 2.64Å; L812-R907 PolarHBondContact N-O 3.03Å; I881-R907 HydrophobicContact CG2-CG 3.74Å; R907-I909 HydrophobicContact CG-CD1 4.5Å; R907-I909 HydrophobicContact CG-CG1 4.32Å
908V91.5Very high83.4Confident0 Ų057.5 Ų57.50%029%0.291CS..EExtended strand (participates in β ladder)trans-96.8118.2-179.9-1740000109.4L812 F814 L851 I881 Y882 P884 L906 T910L812-V908 HydrophobicContact CB-CG2 4.33Å; L812-V908 HydrophobicContact CD2-CG1 4.26Å; L812-V908 HydrophobicContact CD2-CG2 4.17Å; L812-V908 HydrophobicContact CG-CG1 4.37Å; L812-V908 CarbonylContact O-C 3.57Å; L812-V908 WeakPolarHBondContact O-CA 3.33Å; F814-V908 HydrophobicContact CD2-CG1 3.66Å; F814-V908 HydrophobicContact CE2-CG1 3.6Å; L851-V908 HydrophobicContact CD1-CG1 4.13Å; L851-V908 HydrophobicContact CD2-CB 4.47Å; L851-V908 HydrophobicContact CD2-CG2 4.24Å; I881-V908 CarbonylContact C-O 3.57Å; I881-V908 VanDerWaalsContact CA-O 3.29Å; I881-V908 WeakPolarHBondContact CA-O 3.47Å; Y882-V908 HydrophobicContact CD2-CB 4.47Å; Y882-V908 HydrophobicContact CD2-CG1 4.45Å; Y882-V908 PolarHBondContact N-O 2.85Å; Y882-V908 PolarHBondContact O-N 2.8Å; P884-V908 HydrophobicContact CG-CG2 3.79Å; L906-V908 HydrophobicContact CD2-CG2 3.82Å; L906-V908 HydrophobicContact CG-CG2 3.94Å; V908-T910 HydrophobicContact CG1-CG2 4.02Å
909I91.6Very high85.3Confident38 Ų3854.5 Ų54.520%0.19527%0.267CS..EExtended strand (participates in β ladder)trans-107.9122-175.9-62.3159.8000108.4L812 Y813 F814 I881 R907L812-I909 PolarHBondContact O-N 2.92Å; Y813-I909 HydrophobicContact CD1-CB 3.97Å; Y813-I909 HydrophobicContact CD1-CD1 3.86Å; Y813-I909 HydrophobicContact CD1-CG2 4.11Å; Y813-I909 HydrophobicContact CE1-CB 4.22Å; Y813-I909 HydrophobicContact CE1-CD1 3.24Å; Y813-I909 HydrophobicContact CE1-CG1 4.31Å; Y813-I909 HydrophobicContact CE1-CG2 4.3Å; Y813-I909 HydrophobicContact CE2-CD1 4.34Å; F814-I909 PolarHBondContact N-O 3.46Å; I881-I909 HydrophobicContact CG1-CG1 4.45Å; R907-I909 HydrophobicContact CG-CD1 4.5Å; R907-I909 HydrophobicContact CG-CG1 4.32Å
910T90.2Very high86.7Confident4 Ų456.6 Ų56.63%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-129.3148.8-174.163.80000110.8F814 F872 N879 C880 Y882 V908F814-T910 HydrophobicContact CB-CG2 4.25Å; F814-T910 HydrophobicContact CD2-CG2 4.07Å; F814-T910 HydrophobicContact CG-CG2 4.39Å; F872-T910 HydrophobicContact CD1-CG2 4.06Å; F872-T910 HydrophobicContact CD2-CG2 3.89Å; F872-T910 HydrophobicContact CE1-CG2 4.11Å; F872-T910 HydrophobicContact CE2-CG2 3.95Å; F872-T910 HydrophobicContact CG-CG2 3.94Å; F872-T910 HydrophobicContact CZ-CG2 4.04Å; N879-T910 WeakPolarHBondContact CA-O 3.36Å; C880-T910 WeakPolarHBondContact CB-OG1 3.31Å; C880-T910 PolarHBondContact N-O 2.92Å; C880-T910 VanDerWaalsContact N-O 3.12Å; C880-T910 PolarHBondContact O-N 2.83Å; C880-T910 PolarHBondContact O-OG1 3.31Å; Y882-T910 HydrophobicContact CD2-CG2 4Å; Y882-T910 HydrophobicContact CE2-CG2 3.75Å; Y882-T910 WeakPolarHBondContact CE2-OG1 3.3Å; V908-T910 HydrophobicContact CG1-CG2 4.02Å
911M88.8Confident87.8Confident60 Ų6053.7 Ų53.730%0.29627%0.271SS..EExtended strand (participates in β ladder)trans-133.9131.2171.8171.8155.870.600108.1P816 T817 N879 I946P816-M911 WeakPolarHBondContact CA-O 3.43Å; P816-M911 HydrophobicContact CB-CB 4.43Å; P816-M911 HydrophobicContact CB-CE 3.76Å; P816-M911 HydrophobicContact CB-CG 4.26Å; P816-M911 HydrophobicContact CG-CE 3.3Å; T817-M911 PolarHBondContact N-O 3.43Å; N879-M911 WeakPolarHBondContact OD1-CB 2.98Å; N879-M911 WeakPolarHBondContact OD1-CG 3.38Å; M911-I946 HydrophobicContact CE-CD1 4.2Å; M911-I946 HydrophobicContact CE-CG2 3.71Å
912S86.7Confident88.1Confident9 Ų955.1 Ų55.16%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-131.8148.5-178.759.70000112.1T817 P874 Q876 A878T817-S912 VanDerWaalsContact O-CA 3.26Å; T817-S912 WeakPolarHBondContact O-CA 3.46Å; P874-S912 VanDerWaalsContact CB-CB 3.49Å; Q876-S912 PolarHBondContact O-OG 3.44Å; A878-S912 PolarHBondContact N-OG 2.97Å; A878-S912 PolarHBondContact O-N 3.45Å; A878-S912 PolarHBondContact O-OG 3.1Å
913G83.2Confident88.3Confident9 Ų957 Ų579%0.09329%0.29CS..EExtended strand (participates in β ladder)trans-168.7175.8-176.300000113T817 H818 I819 I947T817-G913 PolarHBondContact O-N 2.95Å; H818-G913 WeakPolarHBondContact CA-O 3.5Å; H818-G913 PolarHBondContact CD2-O 3.14Å; I819-G913 PolarHBondContact N-O 3.2Å; G913-I947 VanDerWaalsContact CA-CD1 3.44Å
914N83.5Confident88.1Confident108 Ų10851.6 Ų51.658%0.57827%0.265SS*.  trans-99.8142176.2-72.6-28.1000110.7I819I819-N914 VanDerWaalsContact CD1-OD1 3.23Å; I819-N914 WeakPolarHBondContact CD1-OD1 3.5Å
915V82.8Confident87.9Confident7 Ų755.2 Ų55.24%0.04228%0.282CS..  trans-111.5130.5177.9179.40000108.6H818 L917 N943 S945 I947 T949 L1009H818-V915 PolarHBondContact CD2-N 2.82Å; H818-V915 PolarHBondContact NE2-N 2.68Å; H818-V915 VanDerWaalsContact NE2-N 3.15Å; V915-L917 HydrophobicContact CG1-CD2 4.01Å; V915-N943 WeakPolarHBondContact CG1-OD1 3.33Å; V915-S945 VanDerWaalsContact CG2-OG 3.26Å; V915-S945 WeakPolarHBondContact CG2-OG 3.28Å; V915-I947 HydrophobicContact CG2-CB 3.62Å; V915-I947 HydrophobicContact CG2-CD1 4.43Å; V915-I947 HydrophobicContact CG2-CG2 3.66Å; V915-T949 HydrophobicContact CB-CG2 4.28Å; V915-T949 HydrophobicContact CG1-CG2 3.68Å; V915-L1009 HydrophobicContact CB-CD1 3.91Å; V915-L1009 HydrophobicContact CG1-CD1 4.16Å; V915-L1009 WeakPolarHBondContact O-CD1 2.82Å
916Q85.1Confident87.5Confident141 Ų14151.6 Ų51.666%0.65927%0.267SS*.  trans-132.4129.2169.4-173.6174.6-4.300107.5P944Q916-P944 VanDerWaalsContact O-CD 3.24Å; Q916-P944 WeakPolarHBondContact O-CD 3.13Å
917L86.8Confident87Confident8 Ų858.4 Ų58.44%0.04230%0.298CS..  trans-87.2139.2-178.4-55.9-179.2000109V915 I919 F941 H942 N943 T949 F951 I981 Y1007 L1009V915-L917 HydrophobicContact CG1-CD2 4.01Å; L917-I919 HydrophobicContact CB-CD1 4.45Å; L917-I919 WeakPolarHBondContact O-CD1 3.13Å; L917-F941 HydrophobicContact CB-CD1 4.28Å; L917-F941 HydrophobicContact CD1-CD1 3.87Å; L917-H942 WeakPolarHBondContact CA-O 3.4Å; L917-N943 HydrophobicContact CD2-CB 3.74Å; L917-T949 HydrophobicContact CD2-CG2 4.48Å; L917-F951 HydrophobicContact CD1-CB 3.95Å; L917-F951 HydrophobicContact CD1-CD1 4.03Å; L917-F951 HydrophobicContact CD1-CD2 3.97Å; L917-F951 HydrophobicContact CD1-CE2 4.44Å; L917-F951 HydrophobicContact CD1-CG 3.72Å; L917-I981 HydrophobicContact CD1-CG2 4.5Å; L917-I981 HydrophobicContact CD2-CD1 4.43Å; L917-I981 HydrophobicContact CD2-CG2 3.83Å; L917-Y1007 HydrophobicContact CB-CE2 4.13Å; L917-Y1007 HydrophobicContact CD1-CD2 3.98Å; L917-Y1007 HydrophobicContact CD1-CE2 4.08Å; L917-Y1007 HydrophobicContact CG-CD2 4.44Å; L917-Y1007 HydrophobicContact CG-CE2 4.03Å; L917-Y1007 PolarHBondContact N-OH 2.73Å; L917-L1009 HydrophobicContact CD1-CD2 4.06Å; L917-L1009 HydrophobicContact CG-CD2 4.29Å
918S87Confident86.5Confident56 Ų5656.5 Ų56.539%0.39230%0.298SS..EExtended strand (participates in β ladder)trans-100.1134.3168.956.10000109.4H942S918-H942 PolarHBondContact N-O 3.25Å; S918-H942 PolarHBondContact O-N 3Å; S918-H942 WeakPolarHBondContact OG-CB 3.28Å; S918-H942 PolarHBondContact OG-O 3.38Å
919I88.8Confident86.3Confident20 Ų2057.2 Ų57.210%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-111.4139-172.5-66.688.4000110.1L917 I939 F941 Y1007 A1046L917-I919 HydrophobicContact CB-CD1 4.45Å; L917-I919 WeakPolarHBondContact O-CD1 3.13Å; I919-I939 HydrophobicContact CG2-CG2 3.47Å; I919-I939 VanDerWaalsContact CG2-CG2 3.47Å; I919-F941 HydrophobicContact CD1-CD1 4.24Å; I919-F941 HydrophobicContact CD1-CE1 4.16Å; I919-F941 HydrophobicContact CG1-CD1 3.7Å; I919-F941 HydrophobicContact CG1-CE1 3.62Å; I919-F941 HydrophobicContact CG1-CG 4.41Å; I919-F941 HydrophobicContact CG1-CZ 4.25Å; I919-Y1007 HydrophobicContact CD1-CD1 4.09Å; I919-Y1007 HydrophobicContact CD1-CE1 3.77Å; I919-A1046 HydrophobicContact CD1-CB 3.95Å; I919-A1046 HydrophobicContact CG1-CB 3.88Å
920N84.1Confident86.1Confident111 Ų11156.9 Ų56.959%0.59430%0.3SS*.EExtended strand (participates in β ladder)trans-142.6123.2170.8-177.510.2000110.7N940N920-N940 PolarHBondContact N-O 3.06Å; N920-N940 PolarHBondContact O-N 2.91Å
921P89.5Confident85.8Confident47 Ų4757 Ų5731%0.30530%0.301SS..  cis-80.5154-2.533.4-35.5000113.6I924P921-I924 HydrophobicContact CG-CG1 3.98Å
922E86.2Confident85.5Confident143 Ų14358.2 Ų58.267%0.66831%0.309SS*.SBendtrans-81.6-16.6176.5-64178.5175.800113A1047 T1048E922-A1047 WeakPolarHBondContact O-CA 3.32Å; E922-A1047 WeakPolarHBondContact O-CB 3.22Å; E922-T1048 PolarHBondContact O-N 2.91Å; E922-T1048 VanDerWaalsContact O-N 3.1Å
923T88.8Confident85.4Confident67 Ų6760.3 Ų60.341%0.41132%0.321SS..EExtended strand (participates in β ladder)trans-138.7134.2176.3-53.60000109.8T1048 F1050T923-T1048 WeakPolarHBondContact CA-O 3.34Å; T923-F1050 HydrophobicContact CG2-CD2 4.1Å; T923-F1050 HydrophobicContact CG2-CE2 3.82Å
924I86.3Confident85.5Confident10 Ų1064.2 Ų64.25%0.05135%0.347CS..EExtended strand (participates in β ladder)trans-119.5113.2177.4-60.6176.5000108.4P921 Y937 I939 I991 T1048 I1049 F1050P921-I924 HydrophobicContact CG-CG1 3.98Å; I924-Y937 HydrophobicContact CG2-CD1 3.64Å; I924-Y937 HydrophobicContact CG2-CE1 4.14Å; I924-Y937 HydrophobicContact CG2-CG 3.91Å; I924-I939 HydrophobicContact CD1-CD1 3.55Å; I924-I939 HydrophobicContact CD1-CG1 3.59Å; I924-I991 HydrophobicContact CD1-CD1 4.47Å; I924-T1048 PolarHBondContact N-O 3.29Å; I924-I1049 HydrophobicContact CB-CG1 4.47Å; I924-I1049 HydrophobicContact CB-CG2 4.42Å; I924-I1049 HydrophobicContact CG2-CG2 4.49Å; I924-I1049 WeakPolarHBondContact O-CA 3.31Å; I924-F1050 PolarHBondContact O-N 3.13Å
925H84.8Confident85.6Confident135 Ų13560 Ų6063%0.62533%0.327SS*.EExtended strand (participates in β ladder)trans-92.7109.5164.3-66.8-76.4000108.2F1050H925-F1050 AromaticContact CE1-CD2 3.37Å; H925-F1050 WeakPolarHBondContact CE1-CD2 3.45Å; H925-F1050 AromaticContact CE1-CE2 3.73Å; H925-F1050 AromaticContact ND1-CD2 3.53Å; H925-F1050 AromaticContact ND1-CG 3.94Å
926C85.1Confident85.9Confident15 Ų1563.5 Ų63.510%0.10135%0.352CS..PPolyproline II helixtrans-72.7144175.3-61.10000109.7Y937 I993 F1050 V1051C926-Y937 WeakPolarHBondContact CA-OH 3.41Å; C926-Y937 HydrophobicContact CB-CE1 4.39Å; C926-Y937 HydrophobicContact CB-CE2 3.96Å; C926-Y937 VanDerWaalsContact CB-OH 3.26Å; C926-Y937 WeakPolarHBondContact CB-OH 3.34Å; C926-Y937 WeakPolarHBondContact SG-CE2 3.45Å; C926-I993 WeakPolarHBondContact SG-CD1 3.25Å; C926-F1050 VanDerWaalsContact CB-O 3.24Å; C926-F1050 WeakPolarHBondContact CB-O 3.13Å; C926-F1050 PolarHBondContact N-O 3.22Å; C926-F1050 PolarHBondContact SG-O 3.4Å; C926-V1051 HydrophobicContact CB-CG2 4.43Å
927H82.3Confident86.1Confident144 Ų14458.8 Ų58.867%0.66733%0.329SS*.PPolyproline II helixtrans-63.8148.7165.4-64.183.7000108.6L929 Y937H927-L929 WeakPolarHBondContact O-CG 3.5Å; H927-L929 PolarHBondContact O-N 3.23Å; H927-Y937 PolarHBondContact N-OH 3.5Å; H927-Y937 VanDerWaalsContact N-OH 3.14Å
928P84.3Confident86.2Confident54 Ų5464.6 Ų64.635%0.35135%0.354SS..PPolyproline II helixtrans-51.4127.9176.7-25.433.7000110.9E1052 L1154 I1155P928-E1052 WeakPolarHBondContact CA-O 3.03Å; P928-L1154 HydrophobicContact CB-CB 3.95Å; P928-L1154 HydrophobicContact CG-CB 4.01Å; P928-I1155 HydrophobicContact CB-CG2 4.02Å
929L86.7Confident86.3Confident16 Ų1662 Ų628%0.08434%0.335CS..EExtended strand (participates in β ladder)trans-106.4135.8-176.7-63.7178.4000110.2H927 A935 I993 P995 V1051 E1052 A1053 V1054H927-L929 WeakPolarHBondContact O-CG 3.5Å; H927-L929 PolarHBondContact O-N 3.23Å; L929-A935 HydrophobicContact CD1-CB 4.01Å; L929-A935 HydrophobicContact CD2-CB 3.49Å; L929-A935 VanDerWaalsContact CD2-CB 3.49Å; L929-A935 HydrophobicContact CG-CB 4.41Å; L929-I993 HydrophobicContact CD1-CB 4.33Å; L929-I993 HydrophobicContact CD1-CG2 4.12Å; L929-P995 HydrophobicContact CB-CG 4.04Å; L929-P995 HydrophobicContact CD1-CG 4.35Å; L929-V1051 HydrophobicContact CD1-CG1 4.18Å; L929-E1052 PolarHBondContact N-O 3.49Å; L929-A1053 WeakPolarHBondContact O-CA 3.31Å; L929-V1054 PolarHBondContact O-N 2.9Å
930L87.8Confident86.3Confident30 Ų3063.5 Ų63.516%0.15734%0.343CS..EExtended strand (participates in β ladder)trans-67.9133.3165.717466000109T933 V1054 P1056 I1155 D1235L930-T933 HydrophobicContact CB-CG2 3.74Å; L930-T933 HydrophobicContact CD2-CG2 3.69Å; L930-T933 HydrophobicContact CG-CG2 3.84Å; L930-T933 WeakPolarHBondContact O-CB 3.38Å; L930-T933 PolarHBondContact O-N 2.78Å; L930-T933 PolarHBondContact O-OG1 2.79Å; L930-V1054 WeakPolarHBondContact CA-O 3.39Å; L930-P1056 HydrophobicContact CD1-CG 4.39Å; L930-I1155 HydrophobicContact CB-CD1 4.15Å; L930-I1155 HydrophobicContact CD1-CD1 3.74Å; L930-D1235 HydrophobicContact CD1-CB 3.98Å; L930-D1235 HydrophobicContact CD2-CB 3.44Å; L930-D1235 VanDerWaalsContact CD2-CB 3.44Å; L930-D1235 HydrophobicContact CG-CB 4.28Å
931V83.9Confident86.5Confident7 Ų758.2 Ų58.24%0.04232%0.315CS..THydrogen-bonded Turntrans-56.3142.4177.3-178.20000110.6T933 K996 K998 A1053 V1054 Y1055V931-T933 PolarHBondContact O-N 3.48Å; V931-K996 VanDerWaalsContact CG1-C 3.47Å; V931-K996 WeakPolarHBondContact CG1-O 3.1Å; V931-K998 HydrophobicContact CG2-CB 4.4Å; V931-A1053 HydrophobicContact CG2-CB 4.33Å; V931-V1054 PolarHBondContact N-O 2.86Å; V931-Y1055 HydrophobicContact CB-CD1 4.14Å; V931-Y1055 HydrophobicContact CB-CE1 3.55Å; V931-Y1055 HydrophobicContact CB-CE2 4.12Å; V931-Y1055 HydrophobicContact CG1-CE1 4.08Å; V931-Y1055 HydrophobicContact CG1-CE2 4.34Å; V931-Y1055 VanDerWaalsContact CG1-OH 3.28Å; V931-Y1055 WeakPolarHBondContact CG1-OH 3.48Å; V931-Y1055 HydrophobicContact CG2-CD1 4.28Å; V931-Y1055 HydrophobicContact CG2-CD2 4.09Å; V931-Y1055 HydrophobicContact CG2-CE1 4.01Å; V931-Y1055 HydrophobicContact CG2-CE2 3.79Å; V931-Y1055 HydrophobicContact CG2-CG 4.33Å
932N81.3Confident86.5Confident85 Ų8558.9 Ų58.946%0.45531%0.314SS..THydrogen-bonded Turntrans66.54.3-172.3-68.7-50.1000116.6P995 K996N932-P995 PolarHBondContact N-O 3.13Å; N932-K996 WeakPolarHBondContact OD1-CD 3.1Å; N932-K996 PolarHBondContact OD1-NZ 2.81Å; N932-K996 VanDerWaalsContact OD1-NZ 3.1Å
933T84.4Confident86.5Confident53 Ų5352.1 Ų52.133%0.32528%0.282SS..  trans-90.5165.516670.40000111.1L930 V931 C994L930-T933 HydrophobicContact CB-CG2 3.74Å; L930-T933 HydrophobicContact CD2-CG2 3.69Å; L930-T933 HydrophobicContact CG-CG2 3.84Å; L930-T933 WeakPolarHBondContact O-CB 3.38Å; L930-T933 PolarHBondContact O-N 2.78Å; L930-T933 PolarHBondContact O-OG1 2.79Å; V931-T933 PolarHBondContact O-N 3.48Å; T933-C994 WeakPolarHBondContact O-CA 3.44Å; T933-C994 PolarHBondContact O-SG 3.04Å
934S86.3Confident86.3Confident91 Ų9151.9 Ų51.964%0.63628%0.282SS*.  trans-122.8138179.661.30000111.5I993S934-I993 CarbonylContact C-O 3.58Å; S934-I993 VanDerWaalsContact CA-O 3.24Å; S934-I993 WeakPolarHBondContact CA-O 3.34Å
935A85.5Confident86.1Confident20 Ų2052.5 Ų52.517%0.16529%0.288CS..EExtended strand (participates in β ladder)trans-129.2140.3170.200000111.5L929 Y937 I993L929-A935 HydrophobicContact CD1-CB 4.01Å; L929-A935 HydrophobicContact CD2-CB 3.49Å; L929-A935 VanDerWaalsContact CD2-CB 3.49Å; L929-A935 HydrophobicContact CG-CB 4.41Å; A935-Y937 HydrophobicContact CB-CE2 3.78Å; A935-I993 PolarHBondContact N-O 2.77Å; A935-I993 PolarHBondContact O-N 2.77Å
936S88.9Confident86Confident81 Ų8150.4 Ų50.457%0.56628%0.28SS*.EExtended strand (participates in β ladder)trans-109.2126.3-177-58.50000111.2I991 D992S936-I991 CarbonylContact C-O 3.54Å; S936-I991 WeakPolarHBondContact CA-O 3.38Å; S936-D992 WeakPolarHBondContact CB-OD1 3.3Å; S936-D992 PolarHBondContact OG-OD1 3.29Å
937Y88.8Confident85.9Confident41 Ų4150 Ų5016%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-116.8138.7176.8-63.4-90.7000110.3I924 C926 H927 A935 T990 I991 I993I924-Y937 HydrophobicContact CG2-CD1 3.64Å; I924-Y937 HydrophobicContact CG2-CE1 4.14Å; I924-Y937 HydrophobicContact CG2-CG 3.91Å; C926-Y937 WeakPolarHBondContact CA-OH 3.41Å; C926-Y937 HydrophobicContact CB-CE1 4.39Å; C926-Y937 HydrophobicContact CB-CE2 3.96Å; C926-Y937 VanDerWaalsContact CB-OH 3.26Å; C926-Y937 WeakPolarHBondContact CB-OH 3.34Å; C926-Y937 WeakPolarHBondContact SG-CE2 3.45Å; H927-Y937 PolarHBondContact N-OH 3.5Å; H927-Y937 VanDerWaalsContact N-OH 3.14Å; A935-Y937 HydrophobicContact CB-CE2 3.78Å; Y937-T990 CarbonylContact O-C 3.56Å; Y937-T990 WeakPolarHBondContact O-CA 3.41Å; Y937-I991 PolarHBondContact N-O 3.15Å; Y937-I991 PolarHBondContact O-N 2.91Å; Y937-I993 HydrophobicContact CD2-CD1 3.74Å; Y937-I993 HydrophobicContact CD2-CG1 4.23Å; Y937-I993 HydrophobicContact CE2-CD1 3.91Å
938K88.3Confident86Confident131 Ų13145.6 Ų45.657%0.5726%0.262SS*.EExtended strand (participates in β ladder)trans-104.8124.3-175.9-172.6179.1178.9-177.90110.7S988 I989K938-S988 WeakPolarHBondContact CE-OG 3.25Å; K938-I989 WeakPolarHBondContact CA-O 3.35Å
939I89.2Confident86.1Confident1 Ų143.4 Ų43.41%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-111136.4173-62.6-170.3000109.6I919 I924 F941 S988 I989 I991 L1005 A1047I919-I939 HydrophobicContact CG2-CG2 3.47Å; I919-I939 VanDerWaalsContact CG2-CG2 3.47Å; I924-I939 HydrophobicContact CD1-CD1 3.55Å; I924-I939 HydrophobicContact CD1-CG1 3.59Å; I939-F941 HydrophobicContact CB-CE2 4.42Å; I939-F941 HydrophobicContact CG2-CD2 4.1Å; I939-F941 HydrophobicContact CG2-CE2 3.77Å; I939-F941 HydrophobicContact CG2-CZ 4.43Å; I939-S988 CarbonylContact O-C 3.56Å; I939-S988 VanDerWaalsContact O-CA 3.25Å; I939-S988 WeakPolarHBondContact O-CA 3.17Å; I939-I989 PolarHBondContact N-O 3.08Å; I939-I989 PolarHBondContact O-N 3.29Å; I939-I991 HydrophobicContact CD1-CD1 3.33Å; I939-I991 HydrophobicContact CD1-CG1 4.42Å; I939-I991 HydrophobicContact CG1-CD1 3.91Å; I939-L1005 HydrophobicContact CD1-CD2 3.58Å; I939-A1047 HydrophobicContact CD1-CB 4.01Å
940N89.2Confident86.1Confident51 Ų5145.8 Ų45.827%0.27326%0.258SS..EExtended strand (participates in β ladder)trans-104.2114.7174.8-60.3-45.5000109.9N920 T986 S988N920-N940 PolarHBondContact N-O 3.06Å; N920-N940 PolarHBondContact O-N 2.91Å; N940-T986 HydrophobicContact CB-CG2 3.77Å; N940-S988 WeakPolarHBondContact OD1-CB 3.26Å; N940-S988 PolarHBondContact OD1-OG 2.93Å
941F89.8Confident86.1Confident1 Ų144.3 Ų44.30%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-86.2121.7165.1-71.3-98.2000107.8L917 I919 I939 F951 T953 I981 T986 K987 I989 L1005 Y1007 A1046L917-F941 HydrophobicContact CB-CD1 4.28Å; L917-F941 HydrophobicContact CD1-CD1 3.87Å; I919-F941 HydrophobicContact CD1-CD1 4.24Å; I919-F941 HydrophobicContact CD1-CE1 4.16Å; I919-F941 HydrophobicContact CG1-CD1 3.7Å; I919-F941 HydrophobicContact CG1-CE1 3.62Å; I919-F941 HydrophobicContact CG1-CG 4.41Å; I919-F941 HydrophobicContact CG1-CZ 4.25Å; I939-F941 HydrophobicContact CB-CE2 4.42Å; I939-F941 HydrophobicContact CG2-CD2 4.1Å; I939-F941 HydrophobicContact CG2-CE2 3.77Å; I939-F941 HydrophobicContact CG2-CZ 4.43Å; F941-F951 HydrophobicContact CB-CE2 4.3Å; F941-F951 HydrophobicContact CB-CZ 3.91Å; F941-F951 HydrophobicContact CD1-CD2 4.2Å; F941-F951 AromaticContact CD1-CE2 3.64Å; F941-F951 HydrophobicContact CD1-CE2 3.64Å; F941-F951 HydrophobicContact CD1-CZ 4.14Å; F941-F951 AromaticContact CD2-CE2 3.81Å; F941-F951 HydrophobicContact CD2-CE2 3.81Å; F941-F951 AromaticContact CD2-CZ 3.93Å; F941-F951 HydrophobicContact CD2-CZ 3.93Å; F941-F951 HydrophobicContact CE1-CD2 4.27Å; F941-F951 AromaticContact CE1-CE2 3.84Å; F941-F951 HydrophobicContact CE1-CE2 3.84Å; F941-F951 HydrophobicContact CE2-CE2 4.01Å; F941-F951 AromaticContact CG-CE2 3.63Å; F941-F951 HydrophobicContact CG-CE2 3.63Å; F941-F951 AromaticContact CG-CZ 3.71Å; F941-F951 HydrophobicContact CG-CZ 3.71Å; F941-F951 HydrophobicContact CZ-CE2 4.02Å; F941-T953 HydrophobicContact CE2-CG2 4.32Å; F941-T953 HydrophobicContact CZ-CG2 3.81Å; F941-I981 HydrophobicContact CB-CD1 4.16Å; F941-I981 WeakPolarHBondContact O-CD1 3.37Å; F941-T986 CarbonylContact O-C 3.6Å; F941-T986 WeakPolarHBondContact O-CA 3.45Å; F941-T986 WeakPolarHBondContact O-CG2 3.42Å; F941-K987 PolarHBondContact N-O 2.87Å; F941-K987 PolarHBondContact O-N 3.12Å; F941-I989 HydrophobicContact CD2-CD1 3.83Å; F941-I989 HydrophobicContact CD2-CG1 4.12Å; F941-I989 HydrophobicContact CE2-CB 4.45Å; F941-I989 HydrophobicContact CE2-CD1 3.7Å; F941-I989 HydrophobicContact CE2-CG1 4.25Å; F941-L1005 HydrophobicContact CZ-CD2 4.2Å; F941-Y1007 HydrophobicContact CE1-CD1 4.25Å; F941-Y1007 HydrophobicContact CE1-CG 4.24Å; F941-A1046 HydrophobicContact CE1-CB 4.11Å; F941-A1046 HydrophobicContact CZ-CB 4.22Å
942H87.6Confident86.3Confident61 Ų6144.2 Ų44.228%0.28225%0.25SC..EExtended strand (participates in β ladder)trans-109.3130.4173.4178.268.9000109.1L917 S918 P944 S985 T986L917-H942 WeakPolarHBondContact CA-O 3.4Å; S918-H942 PolarHBondContact N-O 3.25Å; S918-H942 PolarHBondContact O-N 3Å; S918-H942 WeakPolarHBondContact OG-CB 3.28Å; S918-H942 PolarHBondContact OG-O 3.38Å; H942-P944 VanDerWaalsContact O-CD 3.24Å; H942-P944 WeakPolarHBondContact O-CD 3.46Å; H942-S985 PolarHBondContact ND1-O 3.4Å; H942-T986 HydrophobicContact CB-CG2 4.39Å; H942-T986 PolarHBondContact ND1-OG1 3.42Å
943N87.4Confident86.6Confident0 Ų040.4 Ų40.40%023%0.23CC..  trans-98.7101.3172.8-179.53.1000108.6V915 L917 S945 I947 I981 S982 H984 S985V915-N943 WeakPolarHBondContact CG1-OD1 3.33Å; L917-N943 HydrophobicContact CD2-CB 3.74Å; N943-S945 PolarHBondContact O-N 2.89Å; N943-S945 WeakPolarHBondContact OD1-CB 3.25Å; N943-S945 PolarHBondContact OD1-N 2.99Å; N943-S945 VanDerWaalsContact OD1-N 3.07Å; N943-S945 PolarHBondContact OD1-OG 2.7Å; N943-I947 PolarHBondContact ND2-O 3.19Å; N943-I981 HydrophobicContact CB-CB 4.49Å; N943-I981 HydrophobicContact CB-CD1 3.74Å; N943-I981 HydrophobicContact CB-CG1 3.74Å; N943-I981 HydrophobicContact CB-CG2 4.02Å; N943-S982 PolarHBondContact ND2-O 3.3Å; N943-H984 WeakPolarHBondContact O-CA 2.89Å; N943-H984 PolarHBondContact O-N 2.77Å; N943-S985 PolarHBondContact N-O 3.01Å
944P83.4Confident86.6Confident63 Ų6339.9 Ų39.941%0.40923%0.225SC..  trans-74.2-12.6-18031.4-36.3000113.1Q916 H942 H984Q916-P944 VanDerWaalsContact O-CD 3.24Å; Q916-P944 WeakPolarHBondContact O-CD 3.13Å; H942-P944 VanDerWaalsContact O-CD 3.24Å; H942-P944 WeakPolarHBondContact O-CD 3.46Å; P944-H984 PolarHBondContact O-CE1 3.15Å; P944-H984 PolarHBondContact O-ND1 3.13Å
945S83.2Confident86.6Confident23 Ų2336.4 Ų36.416%0.16120%0.199CC..SBendtrans-81.4163.6178.782.10000111.5V915 N943 I947 G983 H984V915-S945 VanDerWaalsContact CG2-OG 3.26Å; V915-S945 WeakPolarHBondContact CG2-OG 3.28Å; N943-S945 PolarHBondContact O-N 2.89Å; N943-S945 WeakPolarHBondContact OD1-CB 3.25Å; N943-S945 PolarHBondContact OD1-N 2.99Å; N943-S945 VanDerWaalsContact OD1-N 3.07Å; N943-S945 PolarHBondContact OD1-OG 2.7Å; S945-I947 VanDerWaalsContact C-N 3.27Å; S945-I947 PolarHBondContact OG-N 3.38Å; S945-I947 PolarHBondContact OG-O 2.84Å; S945-G983 CarbonylContact O-C 3.55Å; S945-G983 VanDerWaalsContact O-C 3.28Å; S945-G983 WeakPolarHBondContact O-CA 3.48Å; S945-H984 PolarHBondContact O-N 3.06Å
946I81.5Confident86.5Confident91 Ų9139.3 Ų39.347%0.46721%0.208SC..SBendtrans-79.5-9.4171.4-162.9165.2000113.1P816 M911P816-I946 HydrophobicContact CB-CG2 4.06Å; P816-I946 HydrophobicContact CG-CG2 4.2Å; M911-I946 HydrophobicContact CE-CD1 4.2Å; M911-I946 HydrophobicContact CE-CG2 3.71Å
947I84.9Confident86.1Confident7 Ų738.4 Ų38.44%0.03620%0.2CC..SBendtrans-90.3128.7-172.9-64.2165.1000109.5P816 H818 G913 V915 N943 S945P816-I947 HydrophobicContact CB-CB 4.42Å; P816-I947 HydrophobicContact CB-CG1 3.56Å; H818-I947 HydrophobicContact CB-CG2 4.15Å; G913-I947 VanDerWaalsContact CA-CD1 3.44Å; V915-I947 HydrophobicContact CG2-CB 3.62Å; V915-I947 HydrophobicContact CG2-CD1 4.43Å; V915-I947 HydrophobicContact CG2-CG2 3.66Å; N943-I947 PolarHBondContact ND2-O 3.19Å; S945-I947 VanDerWaalsContact C-N 3.27Å; S945-I947 PolarHBondContact OG-N 3.38Å; S945-I947 PolarHBondContact OG-O 2.84Å
948S84.2Confident85.4Confident51 Ų5139.7 Ų39.736%0.35721%0.209SC..  trans-77.9137.9172.9-57.90000110.7I981 S982S948-I981 VanDerWaalsContact CA-O 3.32Å; S948-I981 WeakPolarHBondContact CA-O 3.41Å; S948-S982 WeakPolarHBondContact OG-CA 3.36Å
949T84.8Confident84.2Confident7 Ų744.2 Ų44.24%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-140.3150.1179.1-169.40000112V915 L917 I981 L1009V915-T949 HydrophobicContact CB-CG2 4.28Å; V915-T949 HydrophobicContact CG1-CG2 3.68Å; L917-T949 HydrophobicContact CD2-CG2 4.48Å; T949-I981 HydrophobicContact CG2-CG2 3.82Å; T949-I981 PolarHBondContact N-O 2.64Å; T949-I981 PolarHBondContact O-N 3.45Å; T949-L1009 HydrophobicContact CG2-CD1 4.32Å; T949-L1009 HydrophobicContact CG2-CD2 3.71Å
950H86.6Confident82.4Confident66 Ų6648.8 Ų48.831%0.30625%0.248SC..EExtended strand (participates in β ladder)trans-84141.1165-61.588.6000109.1N979 L1009 Y1010H950-N979 WeakPolarHBondContact CA-O 3.31Å; H950-L1009 WeakPolarHBondContact O-CA 3.03Å; H950-Y1010 HydrophobicContact CB-CD1 4.28Å; H950-Y1010 HydrophobicContact CB-CD2 4.37Å; H950-Y1010 HydrophobicContact CB-CE1 3.95Å; H950-Y1010 HydrophobicContact CB-CE2 4.06Å; H950-Y1010 HydrophobicContact CB-CG 4.48Å; H950-Y1010 PolarHBondContact O-N 2.78Å
951F88Confident80.5Confident0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-137.7146.6171.876.8-77000110.3L917 F941 T953 N979 I981 I989 R1008 L1009 Y1010L917-F951 HydrophobicContact CD1-CB 3.95Å; L917-F951 HydrophobicContact CD1-CD1 4.03Å; L917-F951 HydrophobicContact CD1-CD2 3.97Å; L917-F951 HydrophobicContact CD1-CE2 4.44Å; L917-F951 HydrophobicContact CD1-CG 3.72Å; F941-F951 HydrophobicContact CB-CE2 4.3Å; F941-F951 HydrophobicContact CB-CZ 3.91Å; F941-F951 HydrophobicContact CD1-CD2 4.2Å; F941-F951 AromaticContact CD1-CE2 3.64Å; F941-F951 HydrophobicContact CD1-CE2 3.64Å; F941-F951 HydrophobicContact CD1-CZ 4.14Å; F941-F951 AromaticContact CD2-CE2 3.81Å; F941-F951 HydrophobicContact CD2-CE2 3.81Å; F941-F951 AromaticContact CD2-CZ 3.93Å; F941-F951 HydrophobicContact CD2-CZ 3.93Å; F941-F951 HydrophobicContact CE1-CD2 4.27Å; F941-F951 AromaticContact CE1-CE2 3.84Å; F941-F951 HydrophobicContact CE1-CE2 3.84Å; F941-F951 HydrophobicContact CE2-CE2 4.01Å; F941-F951 AromaticContact CG-CE2 3.63Å; F941-F951 HydrophobicContact CG-CE2 3.63Å; F941-F951 AromaticContact CG-CZ 3.71Å; F941-F951 HydrophobicContact CG-CZ 3.71Å; F941-F951 HydrophobicContact CZ-CE2 4.02Å; F951-T953 HydrophobicContact CD2-CG2 4.47Å; F951-T953 HydrophobicContact CE2-CG2 4.28Å; F951-N979 HydrophobicContact CD1-CB 4.17Å; F951-N979 WeakPolarHBondContact CD1-O 3.08Å; F951-N979 HydrophobicContact CE1-CB 3.55Å; F951-N979 HydrophobicContact CZ-CB 4Å; F951-N979 PolarHBondContact N-O 3.14Å; F951-N979 PolarHBondContact O-N 3.3Å; F951-I981 HydrophobicContact CD1-CB 4.3Å; F951-I981 HydrophobicContact CD1-CG2 3.93Å; F951-I981 HydrophobicContact CE1-CB 4.04Å; F951-I981 HydrophobicContact CE1-CG2 4.13Å; F951-I989 HydrophobicContact CE2-CD1 3.5Å; F951-I989 VanDerWaalsContact CE2-CD1 3.5Å; F951-I989 HydrophobicContact CZ-CD1 3.55Å; F951-I989 HydrophobicContact CZ-CG1 4.39Å; F951-R1008 VanDerWaalsContact CA-O 3.25Å; F951-R1008 WeakPolarHBondContact CA-O 3.36Å; F951-L1009 HydrophobicContact CB-CD2 3.65Å; F951-Y1010 VanDerWaalsContact C-CE1 3.45Å
952C88.3Confident78.6Confident4 Ų460.6 Ų60.63%0.02731%0.313CS..EExtended strand (participates in β ladder)trans-122.2149.5171.163.60000109.6N977 Y1007 R1008 Y1010C952-N977 WeakPolarHBondContact CA-O 3.4Å; C952-Y1007 WeakPolarHBondContact O-CA 3.23Å; C952-R1008 PolarHBondContact N-O 3.04Å; C952-R1008 PolarHBondContact O-N 3.45Å; C952-Y1010 HydrophobicContact CB-CD1 4.01Å; C952-Y1010 HydrophobicContact CB-CE1 3.67Å
953T87.7Confident76.7Confident6 Ų659.4 Ų59.44%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-100.6146.2177.540.50000111.8F941 F951 I974 N977 I989 L1005 F1006F941-T953 HydrophobicContact CE2-CG2 4.32Å; F941-T953 HydrophobicContact CZ-CG2 3.81Å; F951-T953 HydrophobicContact CD2-CG2 4.47Å; F951-T953 HydrophobicContact CE2-CG2 4.28Å; T953-I974 WeakPolarHBondContact OG1-CD1 3.24Å; T953-I974 WeakPolarHBondContact OG1-CG2 3.49Å; T953-N977 PolarHBondContact N-O 3.12Å; T953-N977 PolarHBondContact O-OD1 3.09Å; T953-N977 PolarHBondContact OG1-OD1 3.29Å; T953-I989 HydrophobicContact CG2-CD1 4.24Å; T953-L1005 HydrophobicContact CG2-CD1 3.92Å; T953-F1006 CarbonylContact C-O 3.58Å; T953-F1006 VanDerWaalsContact CA-O 3.32Å; T953-F1006 WeakPolarHBondContact CA-O 3.27Å
954I85.8Confident75Confident41 Ų4168.3 Ų68.321%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-134.1125.2178.4-57.7166.7000106.7K956 F1006 R1008 E1043I954-K956 HydrophobicContact CG2-CG 4.31Å; I954-F1006 HydrophobicContact CB-CB 4.47Å; I954-F1006 PolarHBondContact N-O 3.21Å; I954-F1006 PolarHBondContact O-N 3Å; I954-R1008 HydrophobicContact CD1-CG 4.2Å; I954-E1043 HydrophobicContact CD1-CG 4.35Å
955I85.8Confident73.7Confident19 Ų1973 Ų7310%0.09737%0.372CS..EExtended strand (participates in β ladder)trans-102.2137174.6-72.3175.2000109.1L968 I972 I974 F1003 H1004 L1005I955-L968 HydrophobicContact CB-CD2 4.47Å; I955-L968 HydrophobicContact CG2-CD1 4.25Å; I955-L968 HydrophobicContact CG2-CD2 4.24Å; I955-L968 VanDerWaalsContact O-CD2 3.26Å; I955-L968 WeakPolarHBondContact O-CD2 3.43Å; I955-I972 HydrophobicContact CD1-CB 4.36Å; I955-I972 HydrophobicContact CD1-CG2 3.34Å; I955-I972 HydrophobicContact CG2-CD1 4.45Å; I955-I974 HydrophobicContact CD1-CD1 3.4Å; I955-I974 VanDerWaalsContact CD1-CD1 3.4Å; I955-I974 HydrophobicContact CD1-CG1 3.67Å; I955-I974 HydrophobicContact CG1-CD1 3.7Å; I955-I974 HydrophobicContact CG1-CG1 4.49Å; I955-F1003 HydrophobicContact CG2-CB 3.91Å; I955-F1003 HydrophobicContact CG2-CD1 3.94Å; I955-F1003 HydrophobicContact CG2-CG 4.21Å; I955-H1004 WeakPolarHBondContact CA-O 3.32Å; I955-L1005 HydrophobicContact CD1-CD1 3.99Å; I955-L1005 HydrophobicContact CG1-CB 4.35Å; I955-L1005 HydrophobicContact CG1-CD1 3.47Å; I955-L1005 VanDerWaalsContact CG1-CD1 3.47Å
956K83Confident72.4Confident81 Ų8174.1 Ų74.135%0.35238%0.376SS..EExtended strand (participates in β ladder)trans-129.8133.7173.8-62.8-175.5176.2-178.60110.1I954 F1003 H1004 F1006 E1043I954-K956 HydrophobicContact CG2-CG 4.31Å; K956-F1003 WeakPolarHBondContact O-CA 3.41Å; K956-H1004 PolarHBondContact N-O 3.04Å; K956-H1004 PolarHBondContact O-N 2.86Å; K956-F1006 HydrophobicContact CB-CE2 4.18Å; K956-F1006 HydrophobicContact CD-CD2 4.31Å; K956-F1006 HydrophobicContact CD-CE2 4.09Å; K956-F1006 HydrophobicContact CG-CD2 4.33Å; K956-F1006 HydrophobicContact CG-CE2 4.3Å; K956-E1043 VanDerWaalsContact CE-OE2 3.29Å; K956-E1043 WeakPolarHBondContact CE-OE2 3.46Å; K956-E1043 IonicContact NZ-OE1 2.91Å; K956-E1043 PolarHBondContact NZ-OE1 2.86Å; K956-E1043 IonicContact NZ-OE2 3.29Å; K956-E1043 PolarHBondContact NZ-OE2 3.24Å
957P79.9Confident71.6Confident61 Ų6176.3 Ų76.340%0.39638%0.382SS..EExtended strand (participates in β ladder)trans-68.9145.6169.529.2-32.4000110.2F1003P957-F1003 HydrophobicContact CB-CD1 4.06Å; P957-F1003 HydrophobicContact CB-CE1 4.04Å
958I75.8Confident71Confident68 Ų6877.9 Ų77.935%0.34939%0.39SS..  trans-80.2133163.9-55-178.4000107N960 C1002 H1004I958-N960 PolarHBondContact O-N 2.86Å; I958-C1002 HydrophobicContact CB-CB 4.44Å; I958-C1002 HydrophobicContact CD1-CB 4.08Å; I958-C1002 WeakPolarHBondContact CD1-SG 3.25Å; I958-C1002 HydrophobicContact CG1-CB 4.41Å; I958-C1002 PolarHBondContact N-O 3.27Å; I958-H1004 WeakPolarHBondContact CD1-CE1 3.34Å; I958-H1004 WeakPolarHBondContact CG1-ND1 3.12Å
959Y61.5Low70.3Confident227 Ų22782 Ų8289%0.8941%0.408SS*.  trans-51.5114.4178.5-81.5-89.7000111.2
960N52.1Low69.7Low96 Ų9686.8 Ų86.851%0.51343%0.43SS..  trans-118.2136.8147-89-9.3000105.4I958 S962 N963I958-N960 PolarHBondContact O-N 2.86Å; N960-S962 PolarHBondContact O-N 3.31Å; N960-N963 PolarHBondContact O-N 2.6Å
961E48.5Very low69.4Low199 Ų19983.9 Ų83.993%0.9342%0.416SS*.THydrogen-bonded Turntrans-55.3-16.6-171.8-71.6176.315000114.3N963E961-N963 PolarHBondContact O-N 2.93Å
962S51.5Low69.3Low101 Ų10184.3 Ų84.371%0.70642%0.419SS*.THydrogen-bonded Turntrans-81.5-4.5-177.9570000116.3N960N960-S962 PolarHBondContact O-N 3.31Å
963N47.6Very low69Low37 Ų3786.9 Ų86.920%0.19844%0.435CS..  trans-108.222.1-162.5-78.9-16.4000116.5N960 E961 D965 L966N960-N963 PolarHBondContact O-N 2.6Å; E961-N963 PolarHBondContact O-N 2.93Å; N963-D965 PolarHBondContact O-N 3.06Å; N963-L966 HydrophobicContact CB-CD1 3.77Å; N963-L966 HydrophobicContact CB-CG 4.28Å; N963-L966 WeakPolarHBondContact OD1-CD1 3.47Å
964Q51.5Low68.8Low187 Ų18787.6 Ų87.687%0.87444%0.438SS*.THydrogen-bonded Turntrans-64.8-22.7-177.3-69.6-169.41.800114.3
965D54.9Low68.4Low161 Ų16189.7 Ų89.786%0.86145%0.45SS*.THydrogen-bonded Turntrans-104.97.3-176.2-80.2-35.1000115.6N963 K967N963-D965 PolarHBondContact O-N 3.06Å; D965-K967 PolarHBondContact O-N 2.82Å
966L56.3Low68.2Low46 Ų4691.5 Ų91.524%0.24146%0.463CS..  trans-69.9109.4179.2-73.7178000111.7N963 L968 F971 F1001N963-L966 HydrophobicContact CB-CD1 3.77Å; N963-L966 HydrophobicContact CB-CG 4.28Å; N963-L966 WeakPolarHBondContact OD1-CD1 3.47Å; L966-L968 VanDerWaalsContact C-N 3.26Å; L966-L968 PolarHBondContact O-N 2.79Å; L966-F971 HydrophobicContact CD2-CD2 4.36Å; L966-F1001 HydrophobicContact CD1-CD1 3.89Å; L966-F1001 HydrophobicContact CD1-CE1 3.78Å; L966-F1001 HydrophobicContact CD2-CE1 4.24Å
967K66Low67.8Low138 Ų13891 Ų9160%0.646%0.463SS*.  trans-68.684.9162.3-70.5-177.6-179173.10110.2D965 N969 E970 F971D965-K967 PolarHBondContact O-N 2.82Å; K967-N969 PolarHBondContact O-N 3.12Å; K967-E970 HydrophobicContact CB-CB 4.39Å; K967-E970 HydrophobicContact CB-CG 4.35Å; K967-E970 VanDerWaalsContact CD-CD 3.49Å; K967-E970 HydrophobicContact CD-CG 4.44Å; K967-E970 WeakPolarHBondContact CD-OE1 3.18Å; K967-E970 IonicContact NZ-OE1 2.73Å; K967-E970 PolarHBondContact NZ-OE1 2.88Å; K967-E970 VanDerWaalsContact NZ-OE1 3.1Å; K967-E970 IonicContact NZ-OE2 2.71Å; K967-E970 PolarHBondContact O-N 3.36Å; K967-F971 PolarHBondContact O-N 3.33Å
968L71.9Confident67.2Low40 Ų4092.1 Ų92.121%0.20946%0.464CS..Hα-helixtrans-48.8-37.6-175.1-170.869.2000114I955 L966 E970 F971 I972 F1003I955-L968 HydrophobicContact CB-CD2 4.47Å; I955-L968 HydrophobicContact CG2-CD1 4.25Å; I955-L968 HydrophobicContact CG2-CD2 4.24Å; I955-L968 VanDerWaalsContact O-CD2 3.26Å; I955-L968 WeakPolarHBondContact O-CD2 3.43Å; L966-L968 VanDerWaalsContact C-N 3.26Å; L966-L968 PolarHBondContact O-N 2.79Å; L968-E970 VanDerWaalsContact C-N 3.31Å; L968-E970 PolarHBondContact O-N 3.49Å; L968-F971 PolarHBondContact O-N 3.13Å; L968-F971 VanDerWaalsContact O-N 3.11Å; L968-I972 PolarHBondContact O-N 2.83Å; L968-F1003 HydrophobicContact CD1-CD1 3.85Å; L968-F1003 HydrophobicContact CD1-CE1 3.46Å; L968-F1003 VanDerWaalsContact CD1-CE1 3.46Å; L968-F1003 HydrophobicContact CD1-CZ 4.45Å
969N69.2Low67.1Low137 Ų13789.7 Ų89.773%0.73345%0.451SS*.Hα-helixtrans-67.8-25.4-179.4-69.5-8.7000114.3K967 T973K967-N969 PolarHBondContact O-N 3.12Å; N969-T973 VanDerWaalsContact O-CG2 3.32Å; N969-T973 WeakPolarHBondContact O-CG2 3.45Å
970E71.6Confident68.2Low108 Ų10883 Ų8351%0.50543%0.431SS..Hα-helixtrans-84.3-21174.3-67.3176.3-165.800111K967 L968K967-E970 HydrophobicContact CB-CB 4.39Å; K967-E970 HydrophobicContact CB-CG 4.35Å; K967-E970 VanDerWaalsContact CD-CD 3.49Å; K967-E970 HydrophobicContact CD-CG 4.44Å; K967-E970 WeakPolarHBondContact CD-OE1 3.18Å; K967-E970 IonicContact NZ-OE1 2.73Å; K967-E970 PolarHBondContact NZ-OE1 2.88Å; K967-E970 VanDerWaalsContact NZ-OE1 3.1Å; K967-E970 IonicContact NZ-OE2 2.71Å; K967-E970 PolarHBondContact O-N 3.36Å; L968-E970 VanDerWaalsContact C-N 3.31Å; L968-E970 PolarHBondContact O-N 3.49Å
971F81.4Confident69.6Low4 Ų478.5 Ų78.52%0.01841%0.407CS..Hα-helixtrans-89.8-48.4-176.2-169.4-75.3000112.8L966 K967 L968 I993 C994 P995 F1001 F1003 V1051L966-F971 HydrophobicContact CD2-CD2 4.36Å; K967-F971 PolarHBondContact O-N 3.33Å; L968-F971 PolarHBondContact O-N 3.13Å; L968-F971 VanDerWaalsContact O-N 3.11Å; F971-I993 HydrophobicContact CD1-CG2 4.48Å; F971-I993 HydrophobicContact CE1-CG2 3.94Å; F971-C994 PolarHBondContact O-N 2.76Å; F971-P995 HydrophobicContact CD2-CB 4.34Å; F971-P995 HydrophobicContact CE2-CB 3.54Å; F971-P995 HydrophobicContact CZ-CB 3.66Å; F971-F1001 HydrophobicContact CE2-CD1 4.4Å; F971-F1001 AromaticContact CE2-CD2 3.93Å; F971-F1001 HydrophobicContact CE2-CD2 3.93Å; F971-F1001 HydrophobicContact CE2-CE1 4.34Å; F971-F1001 AromaticContact CE2-CE2 3.83Å; F971-F1001 HydrophobicContact CE2-CE2 3.83Å; F971-F1001 HydrophobicContact CE2-CG 4.22Å; F971-F1001 HydrophobicContact CE2-CZ 4.05Å; F971-F1001 HydrophobicContact CZ-CB 4.26Å; F971-F1001 HydrophobicContact CZ-CD1 4.38Å; F971-F1001 AromaticContact CZ-CD2 3.55Å; F971-F1001 HydrophobicContact CZ-CD2 3.55Å; F971-F1001 AromaticContact CZ-CE2 3.92Å; F971-F1001 HydrophobicContact CZ-CE2 3.92Å; F971-F1001 AromaticContact CZ-CG 3.8Å; F971-F1001 HydrophobicContact CZ-CG 3.8Å; F971-F1001 HydrophobicContact CZ-CZ 4.5Å; F971-F1003 HydrophobicContact CD1-CE2 4.02Å; F971-F1003 AromaticContact CD1-CZ 3.65Å; F971-F1003 HydrophobicContact CD1-CZ 3.65Å; F971-F1003 AromaticContact CE1-CE2 3.43Å; F971-F1003 HydrophobicContact CE1-CE2 3.43Å; F971-F1003 VanDerWaalsContact CE1-CE2 3.43Å; F971-F1003 AromaticContact CE1-CZ 3.44Å; F971-F1003 HydrophobicContact CE1-CZ 3.44Å; F971-F1003 VanDerWaalsContact CE1-CZ 3.44Å; F971-F1003 HydrophobicContact CG-CZ 4.49Å; F971-F1003 HydrophobicContact CZ-CE2 4.12Å; F971-F1003 HydrophobicContact CZ-CZ 4.06Å; F971-V1051 HydrophobicContact CZ-CG1 4.39Å
972I84.5Confident71.3Confident9 Ų971.9 Ų71.95%0.04638%0.382CS..EExtended strand (participates in β ladder)trans-127.8131.2175.6-73.3146.6000109.8I955 L968 I991 D992 I993 F1003I955-I972 HydrophobicContact CD1-CB 4.36Å; I955-I972 HydrophobicContact CD1-CG2 3.34Å; I955-I972 HydrophobicContact CG2-CD1 4.45Å; L968-I972 PolarHBondContact O-N 2.83Å; I972-I991 HydrophobicContact CG2-CG2 3.62Å; I972-D992 WeakPolarHBondContact CA-O 3.36Å; I972-I993 HydrophobicContact CG1-CB 4.38Å; I972-I993 HydrophobicContact CG1-CG1 4.1Å; I972-I993 HydrophobicContact CG1-CG2 4.06Å; I972-F1003 HydrophobicContact CD1-CB 4.38Å; I972-F1003 HydrophobicContact CD1-CD1 3.86Å; I972-F1003 HydrophobicContact CD1-CD2 3.38Å; I972-F1003 HydrophobicContact CD1-CE1 3.91Å; I972-F1003 HydrophobicContact CD1-CE2 3.42Å; I972-F1003 VanDerWaalsContact CD1-CE2 3.42Å; I972-F1003 HydrophobicContact CD1-CG 3.6Å; I972-F1003 HydrophobicContact CD1-CZ 3.69Å
973T83.7Confident72.7Confident59 Ų5968.1 Ų68.136%0.36236%0.359SS..EExtended strand (participates in β ladder)trans-121.1146.1171.6600000110.8N969 D992N969-T973 VanDerWaalsContact O-CG2 3.32Å; N969-T973 WeakPolarHBondContact O-CG2 3.45Å; T973-D992 PolarHBondContact N-O 3.18Å; T973-D992 PolarHBondContact O-N 3.44Å
974I82Confident74.3Confident21 Ų2172.1 Ų72.111%0.10838%0.376CS..EExtended strand (participates in β ladder)trans-120120.7-176.5-52.5174.2000108.6T953 I955 N977 I989 L1005T953-I974 WeakPolarHBondContact OG1-CD1 3.24Å; T953-I974 WeakPolarHBondContact OG1-CG2 3.49Å; I955-I974 HydrophobicContact CD1-CD1 3.4Å; I955-I974 VanDerWaalsContact CD1-CD1 3.4Å; I955-I974 HydrophobicContact CD1-CG1 3.67Å; I955-I974 HydrophobicContact CG1-CD1 3.7Å; I955-I974 HydrophobicContact CG1-CG1 4.49Å; I974-N977 HydrophobicContact CB-CB 4.47Å; I974-N977 PolarHBondContact O-N 2.81Å; I974-I989 HydrophobicContact CG2-CG2 3.18Å; I974-L1005 HydrophobicContact CD1-CD1 3.86Å
975N78.6Confident75.8Confident85 Ų8565 Ų6546%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-127.3118.7-176.4-73.4-45000111.6T990 D992N975-T990 PolarHBondContact N-O 3.4Å; N975-T990 PolarHBondContact O-N 3.31Å; N975-T990 PolarHBondContact O-OG1 2.85Å; N975-D992 PolarHBondContact ND2-OD2 2.75Å
976P80.2Confident77.4Confident57 Ų5761 Ų6137%0.3733%0.329SS..THydrogen-bonded Turncis-78.4139.4-13.90.118.1000111.2N979P976-N979 WeakPolarHBondContact CB-ND2 3.3Å; P976-N979 WeakPolarHBondContact CD-ND2 3.37Å; P976-N979 WeakPolarHBondContact CG-ND2 3.28Å; P976-N979 PolarHBondContact O-ND2 3.19Å
977N74.8Confident78.8Confident69 Ų6962.7 Ų62.737%0.36933%0.334SS..SBendtrans-72.2-28.4175.6-170.232.7000113.5C952 T953 I974C952-N977 WeakPolarHBondContact CA-O 3.4Å; T953-N977 PolarHBondContact N-O 3.12Å; T953-N977 PolarHBondContact O-OD1 3.09Å; T953-N977 PolarHBondContact OG1-OD1 3.29Å; I974-N977 HydrophobicContact CB-CB 4.47Å; I974-N977 PolarHBondContact O-N 2.81Å
978E67.4Low79.8Confident86 Ų8658.1 Ų58.140%0.40232%0.319SS..EExtended strand (participates in β ladder)trans-115.1127178.1-68.9179.8-15700109.2Y1010 R1037E978-Y1010 PolarHBondContact OE2-OH 3Å; E978-R1037 IonicContact OE1-CZ 2.83Å; E978-R1037 IonicContact OE1-NH1 3.47Å; E978-R1037 IonicContact OE1-NH2 3.33Å; E978-R1037 PolarHBondContact OE1-NH2 3.1Å; E978-R1037 IonicContact OE2-NH2 3.72Å
979N74.7Confident80.6Confident16 Ų1656.3 Ų56.39%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-145.5144.5-178.8-87-65.1000112H950 F951 P976 K987H950-N979 WeakPolarHBondContact CA-O 3.31Å; F951-N979 HydrophobicContact CD1-CB 4.17Å; F951-N979 WeakPolarHBondContact CD1-O 3.08Å; F951-N979 HydrophobicContact CE1-CB 3.55Å; F951-N979 HydrophobicContact CZ-CB 4Å; F951-N979 PolarHBondContact N-O 3.14Å; F951-N979 PolarHBondContact O-N 3.3Å; P976-N979 WeakPolarHBondContact CB-ND2 3.3Å; P976-N979 WeakPolarHBondContact CD-ND2 3.37Å; P976-N979 WeakPolarHBondContact CG-ND2 3.28Å; P976-N979 PolarHBondContact O-ND2 3.19Å; N979-K987 HydrophobicContact CB-CG 4.33Å; N979-K987 WeakPolarHBondContact OD1-CE 3.23Å
980L83.2Confident81.5Confident88 Ų8852.3 Ų52.346%0.46129%0.291SS..EExtended strand (participates in β ladder)trans-90.2123160.6177.769.4000108.3
981I83.2Confident82.2Confident1 Ų147.3 Ų47.31%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-108.6120171.5-168.7165.9000109.4L917 F941 N943 S948 T949 F951 S985 K987L917-I981 HydrophobicContact CD1-CG2 4.5Å; L917-I981 HydrophobicContact CD2-CD1 4.43Å; L917-I981 HydrophobicContact CD2-CG2 3.83Å; F941-I981 HydrophobicContact CB-CD1 4.16Å; F941-I981 WeakPolarHBondContact O-CD1 3.37Å; N943-I981 HydrophobicContact CB-CB 4.49Å; N943-I981 HydrophobicContact CB-CD1 3.74Å; N943-I981 HydrophobicContact CB-CG1 3.74Å; N943-I981 HydrophobicContact CB-CG2 4.02Å; S948-I981 VanDerWaalsContact CA-O 3.32Å; S948-I981 WeakPolarHBondContact CA-O 3.41Å; T949-I981 HydrophobicContact CG2-CG2 3.82Å; T949-I981 PolarHBondContact N-O 2.64Å; T949-I981 PolarHBondContact O-N 3.45Å; F951-I981 HydrophobicContact CD1-CB 4.3Å; F951-I981 HydrophobicContact CD1-CG2 3.93Å; F951-I981 HydrophobicContact CE1-CB 4.04Å; F951-I981 HydrophobicContact CE1-CG2 4.13Å; I981-S985 WeakPolarHBondContact CG1-OG 3.44Å; I981-K987 HydrophobicContact CB-CB 4.46Å; I981-K987 HydrophobicContact CD1-CB 3.89Å; I981-K987 HydrophobicContact CG1-CB 4.11Å
982S83.8Confident82.5Confident59 Ų5948.7 Ų48.741%0.41328%0.275SS..  trans-73.2157.8178.2-62.60000111.2N943 S948 S985N943-S982 PolarHBondContact ND2-O 3.3Å; S948-S982 WeakPolarHBondContact OG-CA 3.36Å; S982-S985 VanDerWaalsContact C-OG 3.31Å; S982-S985 WeakPolarHBondContact CA-OG 3.34Å; S982-S985 PolarHBondContact N-OG 3.38Å; S982-S985 VanDerWaalsContact N-OG 3.07Å; S982-S985 WeakPolarHBondContact O-CB 3.43Å; S982-S985 PolarHBondContact O-N 3.21Å; S982-S985 PolarHBondContact O-OG 3.18Å
983G81Confident82.7Confident22 Ų2248.3 Ų48.323%0.22727%0.273CS..THydrogen-bonded Turntrans-57.1141.3174.300000112.9S945 S985S945-G983 CarbonylContact O-C 3.55Å; S945-G983 VanDerWaalsContact O-C 3.28Å; S945-G983 WeakPolarHBondContact O-CA 3.48Å; G983-S985 PolarHBondContact O-N 2.81Å
984H81.1Confident82.9Confident121 Ų12146.7 Ų46.756%0.5626%0.264SS*.THydrogen-bonded Turntrans5318.9-175.4-58.6-63000115N943 P944 S945N943-H984 WeakPolarHBondContact O-CA 2.89Å; N943-H984 PolarHBondContact O-N 2.77Å; P944-H984 PolarHBondContact O-CE1 3.15Å; P944-H984 PolarHBondContact O-ND1 3.13Å; S945-H984 PolarHBondContact O-N 3.06Å
985S83.5Confident83.1Confident38 Ų3845.7 Ų45.727%0.26626%0.259SS..  trans-105.8158.8179.680.30000111.4H942 N943 I981 S982 G983H942-S985 PolarHBondContact ND1-O 3.4Å; N943-S985 PolarHBondContact N-O 3.01Å; I981-S985 WeakPolarHBondContact CG1-OG 3.44Å; S982-S985 VanDerWaalsContact C-OG 3.31Å; S982-S985 WeakPolarHBondContact CA-OG 3.34Å; S982-S985 PolarHBondContact N-OG 3.38Å; S982-S985 VanDerWaalsContact N-OG 3.07Å; S982-S985 WeakPolarHBondContact O-CB 3.43Å; S982-S985 PolarHBondContact O-N 3.21Å; S982-S985 PolarHBondContact O-OG 3.18Å; G983-S985 PolarHBondContact O-N 2.81Å
986T86.9Confident83.2Confident77 Ų7746.2 Ų46.247%0.47226%0.257SS..EExtended strand (participates in β ladder)trans-114.9130.1174-56.50000108.6N940 F941 H942N940-T986 HydrophobicContact CB-CG2 3.77Å; F941-T986 CarbonylContact O-C 3.6Å; F941-T986 WeakPolarHBondContact O-CA 3.45Å; F941-T986 WeakPolarHBondContact O-CG2 3.42Å; H942-T986 HydrophobicContact CB-CG2 4.39Å; H942-T986 PolarHBondContact ND1-OG1 3.42Å
987K85.2Confident83.2Confident82 Ų8245.8 Ų45.836%0.35726%0.256SS..EExtended strand (participates in β ladder)trans-114.9128.5173.8-167.365.9171.9-1750109.7F941 N979 I981F941-K987 PolarHBondContact N-O 2.87Å; F941-K987 PolarHBondContact O-N 3.12Å; N979-K987 HydrophobicContact CB-CG 4.33Å; N979-K987 WeakPolarHBondContact OD1-CE 3.23Å; I981-K987 HydrophobicContact CB-CB 4.46Å; I981-K987 HydrophobicContact CD1-CB 3.89Å; I981-K987 HydrophobicContact CG1-CB 4.11Å
988S88.2Confident83.6Confident41 Ų4146.8 Ų46.829%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-95.1139.8174.9-49.90000111.2K938 I939 N940K938-S988 WeakPolarHBondContact CE-OG 3.25Å; I939-S988 CarbonylContact O-C 3.56Å; I939-S988 VanDerWaalsContact O-CA 3.25Å; I939-S988 WeakPolarHBondContact O-CA 3.17Å; N940-S988 WeakPolarHBondContact OD1-CB 3.26Å; N940-S988 PolarHBondContact OD1-OG 2.93Å
989I87.6Confident84.2Confident2 Ų243.7 Ų43.71%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-120.7141.2172.6-61.4-175.4000107.9K938 I939 F941 F951 T953 I974K938-I989 WeakPolarHBondContact CA-O 3.35Å; I939-I989 PolarHBondContact N-O 3.08Å; I939-I989 PolarHBondContact O-N 3.29Å; F941-I989 HydrophobicContact CD2-CD1 3.83Å; F941-I989 HydrophobicContact CD2-CG1 4.12Å; F941-I989 HydrophobicContact CE2-CB 4.45Å; F941-I989 HydrophobicContact CE2-CD1 3.7Å; F941-I989 HydrophobicContact CE2-CG1 4.25Å; F951-I989 HydrophobicContact CE2-CD1 3.5Å; F951-I989 VanDerWaalsContact CE2-CD1 3.5Å; F951-I989 HydrophobicContact CZ-CD1 3.55Å; F951-I989 HydrophobicContact CZ-CG1 4.39Å; T953-I989 HydrophobicContact CG2-CD1 4.24Å; I974-I989 HydrophobicContact CG2-CG2 3.18Å
990T87.9Confident84.7Confident54 Ų5446.2 Ų46.233%0.33127%0.266SS..EExtended strand (participates in β ladder)trans-99.5134.1171.353.20000110.3Y937 N975Y937-T990 CarbonylContact O-C 3.56Å; Y937-T990 WeakPolarHBondContact O-CA 3.41Å; N975-T990 PolarHBondContact N-O 3.4Å; N975-T990 PolarHBondContact O-N 3.31Å; N975-T990 PolarHBondContact O-OG1 2.85Å
991I87.8Confident84.7Confident2 Ų242.4 Ų42.41%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-107.8111.1174.7-55.6-178.9000106.4I924 S936 Y937 I939 I972 I993 L1005 I1049I924-I991 HydrophobicContact CD1-CD1 4.47Å; S936-I991 CarbonylContact C-O 3.54Å; S936-I991 WeakPolarHBondContact CA-O 3.38Å; Y937-I991 PolarHBondContact N-O 3.15Å; Y937-I991 PolarHBondContact O-N 2.91Å; I939-I991 HydrophobicContact CD1-CD1 3.33Å; I939-I991 HydrophobicContact CD1-CG1 4.42Å; I939-I991 HydrophobicContact CG1-CD1 3.91Å; I972-I991 HydrophobicContact CG2-CG2 3.62Å; I991-I993 HydrophobicContact CG2-CD1 4.43Å; I991-I993 HydrophobicContact CG2-CG1 4Å; I991-L1005 HydrophobicContact CD1-CD2 4.02Å; I991-I1049 HydrophobicContact CD1-CD1 3.75Å; I991-I1049 HydrophobicContact CG2-CD1 4.31Å
992D88.1Confident84.9Confident34 Ų3443.7 Ų43.718%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-99.7116.9179.6-53.9-47.7000108S936 I972 T973 N975S936-D992 WeakPolarHBondContact CB-OD1 3.3Å; S936-D992 PolarHBondContact OG-OD1 3.29Å; I972-D992 WeakPolarHBondContact CA-O 3.36Å; T973-D992 PolarHBondContact N-O 3.18Å; T973-D992 PolarHBondContact O-N 3.44Å; N975-D992 PolarHBondContact ND2-OD2 2.75Å
993I88.6Confident85.1Confident0 Ų040.9 Ų40.90%024%0.235CC..EExtended strand (participates in β ladder)trans-109.7121.8-174-49.2-176.2000108.2C926 L929 S934 A935 Y937 F971 I972 I991 I1049 V1051C926-I993 WeakPolarHBondContact SG-CD1 3.25Å; L929-I993 HydrophobicContact CD1-CB 4.33Å; L929-I993 HydrophobicContact CD1-CG2 4.12Å; S934-I993 CarbonylContact C-O 3.58Å; S934-I993 VanDerWaalsContact CA-O 3.24Å; S934-I993 WeakPolarHBondContact CA-O 3.34Å; A935-I993 PolarHBondContact N-O 2.77Å; A935-I993 PolarHBondContact O-N 2.77Å; Y937-I993 HydrophobicContact CD2-CD1 3.74Å; Y937-I993 HydrophobicContact CD2-CG1 4.23Å; Y937-I993 HydrophobicContact CE2-CD1 3.91Å; F971-I993 HydrophobicContact CD1-CG2 4.48Å; F971-I993 HydrophobicContact CE1-CG2 3.94Å; I972-I993 HydrophobicContact CG1-CB 4.38Å; I972-I993 HydrophobicContact CG1-CG1 4.1Å; I972-I993 HydrophobicContact CG1-CG2 4.06Å; I991-I993 HydrophobicContact CG2-CD1 4.43Å; I991-I993 HydrophobicContact CG2-CG1 4Å; I993-I1049 HydrophobicContact CD1-CG2 3.91Å; I993-V1051 HydrophobicContact CD1-CG2 3.83Å; I993-V1051 HydrophobicContact CG2-CG1 3.98Å; I993-V1051 HydrophobicContact CG2-CG2 3.98Å
994C87.2Confident85.6Confident26 Ų2642.2 Ų42.218%0.17624%0.236CC..  trans-131.486.8177.5-171.30000110.4T933 F971 K996T933-C994 WeakPolarHBondContact O-CA 3.44Å; T933-C994 PolarHBondContact O-SG 3.04Å; F971-C994 PolarHBondContact O-N 2.76Å; C994-K996 PolarHBondContact O-N 2.86Å; C994-K996 PolarHBondContact SG-NZ 2.86Å; C994-K996 VanDerWaalsContact SG-NZ 3.44Å
995P85.1Confident86Confident0 Ų036.6 Ų36.60%021%0.21CC..  trans-65.2135.8179.526.2-31.7000111.4L929 N932 F971 A1053L929-P995 HydrophobicContact CB-CG 4.04Å; L929-P995 HydrophobicContact CD1-CG 4.35Å; N932-P995 PolarHBondContact N-O 3.13Å; F971-P995 HydrophobicContact CD2-CB 4.34Å; F971-P995 HydrophobicContact CE2-CB 3.54Å; F971-P995 HydrophobicContact CZ-CB 3.66Å; P995-A1053 HydrophobicContact CB-CB 3.38Å; P995-A1053 HydrophobicContact CG-CB 3.62Å
996K81.1Confident86.3Confident96 Ų9636.5 Ų36.542%0.41720%0.204SC..SBendtrans-102.2-14.7179.2-63.2-52.5-171.2-170.60114.2V931 N932 C994V931-K996 VanDerWaalsContact CG1-C 3.47Å; V931-K996 WeakPolarHBondContact CG1-O 3.1Å; N932-K996 WeakPolarHBondContact OD1-CD 3.1Å; N932-K996 PolarHBondContact OD1-NZ 2.81Å; N932-K996 VanDerWaalsContact OD1-NZ 3.1Å; C994-K996 PolarHBondContact O-N 2.86Å; C994-K996 PolarHBondContact SG-NZ 2.86Å; C994-K996 VanDerWaalsContact SG-NZ 3.44Å
997S81Confident86.5Confident48 Ų4832.9 Ų32.934%0.33618%0.182SC..SBendtrans-136.5157.6175.752.50000109.4
998K82.1Confident86.7Confident90 Ų9031.8 Ų31.839%0.39118%0.176SC..  trans-67.8147.3171.4166.5-177.8166.5-176.60110.4V931 A1053 Y1055 D1093V931-K998 HydrophobicContact CG2-CB 4.4Å; K998-A1053 CarbonylContact C-O 3.58Å; K998-A1053 VanDerWaalsContact CA-O 3.3Å; K998-A1053 WeakPolarHBondContact CA-O 3.43Å; K998-Y1055 HydrophobicContact CB-CD2 4.09Å; K998-Y1055 HydrophobicContact CB-CE2 4.26Å; K998-Y1055 HydrophobicContact CD-CD2 4.45Å; K998-D1093 WeakPolarHBondContact CD-OD1 3.34Å; K998-D1093 IonicContact NZ-OD1 3.08Å; K998-D1093 PolarHBondContact NZ-OD1 2.94Å
999G81.5Confident86.7Confident21 Ų2129.9 Ų29.922%0.21616%0.162CC..EExtended strand (participates in β ladder)trans148.3169.8172.500000114.1F1001 A1053G999-F1001 VanDerWaalsContact O-CD2 3.23Å; G999-F1001 WeakPolarHBondContact O-CD2 3.29Å; G999-F1001 WeakPolarHBondContact O-CE2 3.33Å; G999-A1053 PolarHBondContact N-O 2.96Å; G999-A1053 PolarHBondContact O-N 3.1Å
1000S83.6Confident86.5Confident68 Ų6830.1 Ų30.148%0.47616%0.163SC..EExtended strand (participates in β ladder)trans-93.3114.8171.4-48.50000109.5E1052S1000-E1052 WeakPolarHBondContact CA-OE2 3.18Å; S1000-E1052 WeakPolarHBondContact CB-OE2 3.38Å; S1000-E1052 PolarHBondContact OG-OE1 3.09Å; S1000-E1052 PolarHBondContact OG-OE2 3.09Å
1001F84Confident85.9Confident9 Ų928.1 Ų28.14%0.03915%0.151CC..EExtended strand (participates in β ladder)trans-115136.7-177.9-52.7-85.4000110.8L966 F971 G999 F1003 V1051 A1053L966-F1001 HydrophobicContact CD1-CD1 3.89Å; L966-F1001 HydrophobicContact CD1-CE1 3.78Å; L966-F1001 HydrophobicContact CD2-CE1 4.24Å; F971-F1001 HydrophobicContact CE2-CD1 4.4Å; F971-F1001 AromaticContact CE2-CD2 3.93Å; F971-F1001 HydrophobicContact CE2-CD2 3.93Å; F971-F1001 HydrophobicContact CE2-CE1 4.34Å; F971-F1001 AromaticContact CE2-CE2 3.83Å; F971-F1001 HydrophobicContact CE2-CE2 3.83Å; F971-F1001 HydrophobicContact CE2-CG 4.22Å; F971-F1001 HydrophobicContact CE2-CZ 4.05Å; F971-F1001 HydrophobicContact CZ-CB 4.26Å; F971-F1001 HydrophobicContact CZ-CD1 4.38Å; F971-F1001 AromaticContact CZ-CD2 3.55Å; F971-F1001 HydrophobicContact CZ-CD2 3.55Å; F971-F1001 AromaticContact CZ-CE2 3.92Å; F971-F1001 HydrophobicContact CZ-CE2 3.92Å; F971-F1001 AromaticContact CZ-CG 3.8Å; F971-F1001 HydrophobicContact CZ-CG 3.8Å; F971-F1001 HydrophobicContact CZ-CZ 4.5Å; G999-F1001 VanDerWaalsContact O-CD2 3.23Å; G999-F1001 WeakPolarHBondContact O-CD2 3.29Å; G999-F1001 WeakPolarHBondContact O-CE2 3.33Å; F1001-F1003 HydrophobicContact CB-CD2 4.27Å; F1001-F1003 HydrophobicContact CB-CE2 3.37Å; F1001-F1003 HydrophobicContact CB-CZ 3.7Å; F1001-F1003 HydrophobicContact CD1-CZ 4.49Å; F1001-F1003 HydrophobicContact CG-CE2 4.32Å; F1001-F1003 HydrophobicContact CG-CZ 4.3Å; F1001-V1051 HydrophobicContact CB-CB 4.37Å; F1001-V1051 PolarHBondContact N-O 2.94Å; F1001-V1051 PolarHBondContact O-N 3.38Å; F1001-A1053 HydrophobicContact CD2-CB 4.45Å; F1001-A1053 HydrophobicContact CE2-CB 4Å
1002C87.7Confident84.9Confident28 Ų2830 Ų3019%0.18916%0.162CC..EExtended strand (participates in β ladder)trans-124127.3174.4-169.70000110.1I958 I1049 F1050I958-C1002 HydrophobicContact CB-CB 4.44Å; I958-C1002 HydrophobicContact CD1-CB 4.08Å; I958-C1002 WeakPolarHBondContact CD1-SG 3.25Å; I958-C1002 HydrophobicContact CG1-CB 4.41Å; I958-C1002 PolarHBondContact N-O 3.27Å; C1002-I1049 WeakPolarHBondContact CA-O 3.3Å; C1002-F1050 HydrophobicContact CB-CD1 4.24Å; C1002-F1050 HydrophobicContact CB-CE1 4.33Å; C1002-F1050 WeakPolarHBondContact SG-CE1 3.32Å
1003F88Confident83.4Confident0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-124.2142-178-57-84.3000111.2I955 K956 P957 L968 F971 I972 F1001 T1048 I1049 V1051I955-F1003 HydrophobicContact CG2-CB 3.91Å; I955-F1003 HydrophobicContact CG2-CD1 3.94Å; I955-F1003 HydrophobicContact CG2-CG 4.21Å; K956-F1003 WeakPolarHBondContact O-CA 3.41Å; P957-F1003 HydrophobicContact CB-CD1 4.06Å; P957-F1003 HydrophobicContact CB-CE1 4.04Å; L968-F1003 HydrophobicContact CD1-CD1 3.85Å; L968-F1003 HydrophobicContact CD1-CE1 3.46Å; L968-F1003 VanDerWaalsContact CD1-CE1 3.46Å; L968-F1003 HydrophobicContact CD1-CZ 4.45Å; F971-F1003 HydrophobicContact CD1-CE2 4.02Å; F971-F1003 AromaticContact CD1-CZ 3.65Å; F971-F1003 HydrophobicContact CD1-CZ 3.65Å; F971-F1003 AromaticContact CE1-CE2 3.43Å; F971-F1003 HydrophobicContact CE1-CE2 3.43Å; F971-F1003 VanDerWaalsContact CE1-CE2 3.43Å; F971-F1003 AromaticContact CE1-CZ 3.44Å; F971-F1003 HydrophobicContact CE1-CZ 3.44Å; F971-F1003 VanDerWaalsContact CE1-CZ 3.44Å; F971-F1003 HydrophobicContact CG-CZ 4.49Å; F971-F1003 HydrophobicContact CZ-CE2 4.12Å; F971-F1003 HydrophobicContact CZ-CZ 4.06Å; I972-F1003 HydrophobicContact CD1-CB 4.38Å; I972-F1003 HydrophobicContact CD1-CD1 3.86Å; I972-F1003 HydrophobicContact CD1-CD2 3.38Å; I972-F1003 HydrophobicContact CD1-CE1 3.91Å; I972-F1003 HydrophobicContact CD1-CE2 3.42Å; I972-F1003 VanDerWaalsContact CD1-CE2 3.42Å; I972-F1003 HydrophobicContact CD1-CG 3.6Å; I972-F1003 HydrophobicContact CD1-CZ 3.69Å; F1001-F1003 HydrophobicContact CB-CD2 4.27Å; F1001-F1003 HydrophobicContact CB-CE2 3.37Å; F1001-F1003 HydrophobicContact CB-CZ 3.7Å; F1001-F1003 HydrophobicContact CD1-CZ 4.49Å; F1001-F1003 HydrophobicContact CG-CE2 4.32Å; F1001-F1003 HydrophobicContact CG-CZ 4.3Å; F1003-T1048 WeakPolarHBondContact O-CA 3.45Å; F1003-I1049 HydrophobicContact CB-CB 4.37Å; F1003-I1049 PolarHBondContact N-O 2.97Å; F1003-I1049 PolarHBondContact O-N 3.23Å; F1003-V1051 HydrophobicContact CD2-CG2 4.33Å; F1003-V1051 HydrophobicContact CE2-CG2 4.26Å
1004H91Very high81.6Confident50 Ų5037.1 Ų37.123%0.23120%0.196CC..EExtended strand (participates in β ladder)trans-102.9122.2167.8-76135.5000109.7I955 K956 I958 F1006 L1045 T1048I955-H1004 WeakPolarHBondContact CA-O 3.32Å; K956-H1004 PolarHBondContact N-O 3.04Å; K956-H1004 PolarHBondContact O-N 2.86Å; I958-H1004 WeakPolarHBondContact CD1-CE1 3.34Å; I958-H1004 WeakPolarHBondContact CG1-ND1 3.12Å; H1004-F1006 HydrophobicContact CB-CD2 4.11Å; H1004-F1006 HydrophobicContact CB-CE2 3.36Å; H1004-F1006 HydrophobicContact CB-CZ 3.79Å; H1004-L1045 HydrophobicContact CB-CD1 3.7Å; H1004-T1048 PolarHBondContact CD2-OG1 3.27Å; H1004-T1048 PolarHBondContact NE2-OG1 3.48Å
1005L89.8Confident79.3Confident3 Ų344.3 Ų44.32%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-88.4117.1168.7177.969.5000108.4I939 F941 T953 I955 I974 I991 A1046 A1047 I1049I939-L1005 HydrophobicContact CD1-CD2 3.58Å; F941-L1005 HydrophobicContact CZ-CD2 4.2Å; T953-L1005 HydrophobicContact CG2-CD1 3.92Å; I955-L1005 HydrophobicContact CD1-CD1 3.99Å; I955-L1005 HydrophobicContact CG1-CB 4.35Å; I955-L1005 HydrophobicContact CG1-CD1 3.47Å; I955-L1005 VanDerWaalsContact CG1-CD1 3.47Å; I974-L1005 HydrophobicContact CD1-CD1 3.86Å; I991-L1005 HydrophobicContact CD1-CD2 4.02Å; L1005-A1046 HydrophobicContact CD2-CB 4.32Å; L1005-A1046 HydrophobicContact CG-CB 4.2Å; L1005-A1046 WeakPolarHBondContact O-CA 3.18Å; L1005-A1046 VanDerWaalsContact O-CB 3.27Å; L1005-A1046 WeakPolarHBondContact O-CB 2.89Å; L1005-A1046 PolarHBondContact O-N 3.13Å; L1005-A1047 HydrophobicContact CB-CB 4.41Å; L1005-A1047 HydrophobicContact CD2-CB 4.39Å; L1005-A1047 PolarHBondContact N-O 3.02Å; L1005-A1047 PolarHBondContact O-N 2.74Å; L1005-A1047 VanDerWaalsContact O-N 3.14Å; L1005-I1049 HydrophobicContact CB-CD1 4.49Å
1006F90.5Very high77.1Confident35 Ų3550.3 Ų50.315%0.15426%0.255CS..EExtended strand (participates in β ladder)trans-103.8154.3170.9-62.1-91.6000110.2T953 I954 K956 H1004 E1043 I1044 L1045T953-F1006 CarbonylContact C-O 3.58Å; T953-F1006 VanDerWaalsContact CA-O 3.32Å; T953-F1006 WeakPolarHBondContact CA-O 3.27Å; I954-F1006 HydrophobicContact CB-CB 4.47Å; I954-F1006 PolarHBondContact N-O 3.21Å; I954-F1006 PolarHBondContact O-N 3Å; K956-F1006 HydrophobicContact CB-CE2 4.18Å; K956-F1006 HydrophobicContact CD-CD2 4.31Å; K956-F1006 HydrophobicContact CD-CE2 4.09Å; K956-F1006 HydrophobicContact CG-CD2 4.33Å; K956-F1006 HydrophobicContact CG-CE2 4.3Å; H1004-F1006 HydrophobicContact CB-CD2 4.11Å; H1004-F1006 HydrophobicContact CB-CE2 3.36Å; H1004-F1006 HydrophobicContact CB-CZ 3.79Å; F1006-E1043 HydrophobicContact CB-CB 4.08Å; F1006-E1043 HydrophobicContact CD1-CB 3.83Å; F1006-E1043 HydrophobicContact CG-CB 4.1Å; F1006-I1044 CarbonylContact C-O 3.56Å; F1006-I1044 WeakPolarHBondContact CA-O 3.25Å; F1006-L1045 HydrophobicContact CD1-CB 4.11Å; F1006-L1045 HydrophobicContact CD1-CD1 4.3Å; F1006-L1045 HydrophobicContact CE1-CB 3.9Å; F1006-L1045 HydrophobicContact CE1-CD1 3.92Å; F1006-L1045 HydrophobicContact CE2-CD1 4.46Å; F1006-L1045 HydrophobicContact CZ-CD1 4.01Å
1007Y90.9Very high75Confident2 Ų251 Ų511%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-121.7151.2165.576.9-87.1000110.9L917 I919 F941 C952 L1009 I1044 A1046L917-Y1007 HydrophobicContact CB-CE2 4.13Å; L917-Y1007 HydrophobicContact CD1-CD2 3.98Å; L917-Y1007 HydrophobicContact CD1-CE2 4.08Å; L917-Y1007 HydrophobicContact CG-CD2 4.44Å; L917-Y1007 HydrophobicContact CG-CE2 4.03Å; L917-Y1007 PolarHBondContact N-OH 2.73Å; I919-Y1007 HydrophobicContact CD1-CD1 4.09Å; I919-Y1007 HydrophobicContact CD1-CE1 3.77Å; F941-Y1007 HydrophobicContact CE1-CD1 4.25Å; F941-Y1007 HydrophobicContact CE1-CG 4.24Å; C952-Y1007 WeakPolarHBondContact O-CA 3.23Å; Y1007-L1009 HydrophobicContact CD2-CD2 4.14Å; Y1007-L1009 HydrophobicContact CE2-CD2 4.1Å; Y1007-L1009 HydrophobicContact CE2-CG 4.3Å; Y1007-I1044 HydrophobicContact CD1-CB 4.12Å; Y1007-I1044 HydrophobicContact CD1-CG2 4.34Å; Y1007-I1044 WeakPolarHBondContact CD1-O 3.35Å; Y1007-I1044 HydrophobicContact CE1-CB 3.67Å; Y1007-I1044 HydrophobicContact CE1-CG2 3.52Å; Y1007-I1044 HydrophobicContact CE2-CB 4.34Å; Y1007-I1044 HydrophobicContact CE2-CD1 4.02Å; Y1007-I1044 PolarHBondContact N-O 2.91Å; Y1007-I1044 PolarHBondContact O-N 2.92Å; Y1007-A1046 HydrophobicContact CD1-CB 3.74Å
1008R89.3Confident72.7Confident59 Ų5955.1 Ų55.122%0.22329%0.291CS..EExtended strand (participates in β ladder)trans-128.1137.7168.6-72.8-173.2174.1144.7-0.8109.7F951 C952 I954 Y1039 E1043F951-R1008 VanDerWaalsContact CA-O 3.25Å; F951-R1008 WeakPolarHBondContact CA-O 3.36Å; C952-R1008 PolarHBondContact N-O 3.04Å; C952-R1008 PolarHBondContact O-N 3.45Å; I954-R1008 HydrophobicContact CD1-CG 4.2Å; R1008-Y1039 HydrophobicContact CB-CD1 3.78Å; R1008-Y1039 HydrophobicContact CB-CE1 4.1Å; R1008-Y1039 HydrophobicContact CG-CD1 4.33Å; R1008-E1043 HydrophobicContact CG-CG 4.17Å; R1008-E1043 IonicContact CZ-OE1 3.89Å; R1008-E1043 VanDerWaalsContact CZ-OE1 3.29Å; R1008-E1043 IonicContact NH1-OE1 3.21Å; R1008-E1043 IonicContact NH2-OE1 2.69Å; R1008-E1043 PolarHBondContact NH2-OE1 3.34Å
1009L87.8Confident70.3Confident0 Ų057.9 Ų57.90%031%0.305CS..EExtended strand (participates in β ladder)trans-81.7136.9166.1-55.1-173.2000108.8V915 L917 T949 H950 F951 Y1007 L1040 T1041V915-L1009 HydrophobicContact CB-CD1 3.91Å; V915-L1009 HydrophobicContact CG1-CD1 4.16Å; V915-L1009 WeakPolarHBondContact O-CD1 2.82Å; L917-L1009 HydrophobicContact CD1-CD2 4.06Å; L917-L1009 HydrophobicContact CG-CD2 4.29Å; T949-L1009 HydrophobicContact CG2-CD1 4.32Å; T949-L1009 HydrophobicContact CG2-CD2 3.71Å; H950-L1009 WeakPolarHBondContact O-CA 3.03Å; F951-L1009 HydrophobicContact CB-CD2 3.65Å; Y1007-L1009 HydrophobicContact CD2-CD2 4.14Å; Y1007-L1009 HydrophobicContact CE2-CD2 4.1Å; Y1007-L1009 HydrophobicContact CE2-CG 4.3Å; L1009-L1040 HydrophobicContact CB-CB 4.21Å; L1009-L1040 HydrophobicContact CB-CD1 4.38Å; L1009-L1040 PolarHBondContact O-N 2.8Å; L1009-T1041 HydrophobicContact CB-CG2 4.08Å; L1009-T1041 HydrophobicContact CD1-CG2 4.07Å; L1009-T1041 HydrophobicContact CG-CG2 4.1Å; L1009-T1041 PolarHBondContact N-OG1 2.88Å; L1009-T1041 VanDerWaalsContact N-OG1 3.07Å
1010Y83.4Confident68Low8 Ų865.8 Ų65.83%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-139.2160.7178.870.8-86.6000111.5H950 F951 C952 E978 T1012 R1037 K1038H950-Y1010 HydrophobicContact CB-CD1 4.28Å; H950-Y1010 HydrophobicContact CB-CD2 4.37Å; H950-Y1010 HydrophobicContact CB-CE1 3.95Å; H950-Y1010 HydrophobicContact CB-CE2 4.06Å; H950-Y1010 HydrophobicContact CB-CG 4.48Å; H950-Y1010 PolarHBondContact O-N 2.78Å; F951-Y1010 VanDerWaalsContact C-CE1 3.45Å; C952-Y1010 HydrophobicContact CB-CD1 4.01Å; C952-Y1010 HydrophobicContact CB-CE1 3.67Å; E978-Y1010 PolarHBondContact OE2-OH 3Å; Y1010-T1012 HydrophobicContact CD2-CG2 4.3Å; Y1010-T1012 HydrophobicContact CE2-CG2 3.86Å; Y1010-R1037 HydrophobicContact CD2-CG 4.32Å; Y1010-K1038 WeakPolarHBondContact CA-O 3.37Å
1011T76Confident65.5Low11 Ų1170 Ų707%0.06735%0.351CS..EExtended strand (participates in β ladder)trans-120149164.7-174.70000109.5K1038 L1040T1011-K1038 HydrophobicContact CG2-CB 3.9Å; T1011-K1038 HydrophobicContact CG2-CD 4.41Å; T1011-K1038 PolarHBondContact N-O 3.18Å; T1011-K1038 PolarHBondContact O-N 3.2Å; T1011-K1038 VanDerWaalsContact O-N 3.08Å; T1011-L1040 HydrophobicContact CG2-CD2 4.13Å
1012T66.7Low63Low41 Ų4177.3 Ų77.325%0.25239%0.39SS..EExtended strand (participates in β ladder)trans-91.1121.317848.40000108.7Y822 Y1010 E1014 I1035Y822-T1012 WeakPolarHBondContact CE1-O 3.12Å; Y822-T1012 PolarHBondContact OH-O 3.32Å; Y1010-T1012 HydrophobicContact CD2-CG2 4.3Å; Y1010-T1012 HydrophobicContact CE2-CG2 3.86Å; T1012-E1014 VanDerWaalsContact C-N 3.35Å; T1012-E1014 PolarHBondContact O-N 3.42Å; T1012-I1035 HydrophobicContact CG2-CG2 4.06Å
1013N56.6Low60.3Low49 Ų4983 Ų8326%0.26242%0.419SS..  trans-76.789.6168-73.9-4.6000108.7F1015 T1036N1013-F1015 HydrophobicContact CB-CD2 4.21Å; N1013-F1015 PolarHBondContact O-N 2.86Å; N1013-T1036 WeakPolarHBondContact CB-O 3.27Å; N1013-T1036 PolarHBondContact N-O 2.87Å
1014E49.6Very low57.7Low136 Ų13691.9 Ų91.964%0.63646%0.457SS*.  trans-76.365.4158.1-73.2-163.4163.400108.7Y822 T1012 I1016Y822-E1014 PolarHBondContact OH-N 2.84Å; T1012-E1014 VanDerWaalsContact C-N 3.35Å; T1012-E1014 PolarHBondContact O-N 3.42Å; E1014-I1016 PolarHBondContact O-N 3.17Å
1015F40.5Very low54.6Low176 Ų17698.8 Ų98.877%0.77249%0.492SS*.  trans-71.989.1159.9-96.5-83.2000106.7N1013 S1017N1013-F1015 HydrophobicContact CB-CD2 4.21Å; N1013-F1015 PolarHBondContact O-N 2.86Å; F1015-S1017 PolarHBondContact O-N 2.99Å
1016I39.3Very low51.9Low126 Ų126107.2 Ų107.265%0.64653%0.529SS*.  trans-60.995.6161.9-59.9173000105.6E1014 N1018E1014-I1016 PolarHBondContact O-N 3.17Å; I1016-N1018 HydrophobicContact CG2-CB 3.87Å; I1016-N1018 PolarHBondContact O-N 3.45Å
1017S35.1Very low49.3Very low111 Ų111112.3 Ų112.378%0.77656%0.558SS**  trans-70.960.2169.562.30000109.8F1015 Q1019F1015-S1017 PolarHBondContact O-N 2.99Å; S1017-Q1019 PolarHBondContact O-N 2.91Å
1018N33.1Very low46.5Very low134 Ų134116.3 Ų116.372%0.71760%0.599SS**  trans-87.468164.2-91-10.7000108.2I1016I1016-N1018 HydrophobicContact CG2-CB 3.87Å; I1016-N1018 PolarHBondContact O-N 3.45Å
1019Q33.2Very low44.1Very low149 Ų149122.4 Ų122.470%0.69663%0.628SS**SBendtrans-175.7124.5151.1-103.1162.764.300111.4S1017S1017-Q1019 PolarHBondContact O-N 2.91Å
1020K32.4Very low41.5Very low186 Ų186130.4 Ų130.481%0.80967%0.67SS**SBendtrans72.982.8165.5-60.1177.8178.2175.10117.2
1021N31.8Very low39.2Very low157 Ų157135 Ų13584%0.8470%0.703SS**  -171.855.9128.6-92.4-16.3000111.3N1023N1021-N1023 PolarHBondContact O-N 3.3Å
1022N30Very low37.4Very low163 Ų163143.4 Ų143.487%0.87274%0.739SS**  trans-73.683.7156.3-76.7-3.8000106.9
1023N31.6Very low36.3Very low148 Ų148146.7 Ų146.779%0.79176%0.764SS**  trans170.380155.5-85.8-16.7000109.2N1021N1021-N1023 PolarHBondContact O-N 3.3Å
1024K33.1Very low35.6Very low186 Ų186152.8 Ų152.881%0.80979%0.791SS**  trans174.3100.5143.3-96.8160.9-174.8-176.60108.3F1026K1024-F1026 HydrophobicContact CB-CD2 4.39Å; K1024-F1026 PolarHBondContact O-N 3.29Å; K1024-F1026 VanDerWaalsContact O-N 3.16Å
1025M26.2Very low35.5Very low195 Ų195151.1 Ų151.196%0.96179%0.785SS**  trans-52115.3158.6-71.9167.98000107.6
1026F33Very low36.3Very low179 Ų179146.8 Ų146.879%0.78577%0.773SS**  trans-134.4123163.8-106.3-83.1000109K1024K1024-F1026 HydrophobicContact CB-CD2 4.39Å; K1024-F1026 PolarHBondContact O-N 3.29Å; K1024-F1026 VanDerWaalsContact O-N 3.16Å
1027D35.9Very low37.7Very low142 Ų142145.5 Ų145.576%0.75976%0.76SS**  trans-3.5109.9168.7-75.7-35.6000118.6K1029D1027-K1029 PolarHBondContact O-N 3.19Å
1028G31.2Very low39.6Very low86 Ų86145.3 Ų145.389%0.88775%0.746SS**  60.16.79500000120.1
1029K39Very low41.9Very low188 Ų188143.4 Ų143.482%0.81773%0.729SS**  trans-112.7121.5167.8-77.1-174.9179177.80109.3D1027 S1031D1027-K1029 PolarHBondContact O-N 3.19Å; K1029-S1031 VanDerWaalsContact C-N 3.26Å; K1029-S1031 PolarHBondContact O-N 2.72Å
1030N34.3Very low44Very low167 Ų167138 Ų13889%0.89370%0.704SS**  trans-41.780174-70.8-27.4000113.1K1032N1030-K1032 PolarHBondContact O-N 3.45Å
1031S35Very low46.2Very low104 Ų104130.7 Ų130.773%0.72768%0.676SS**  trans-75.886.915759.50000105.5K1029 S1033K1029-S1031 VanDerWaalsContact C-N 3.26Å; K1029-S1031 PolarHBondContact O-N 2.72Å; S1031-S1033 PolarHBondContact O-N 3.05Å
1032K38Very low48.7Very low189 Ų189131.3 Ų131.382%0.82267%0.673SS**  trans-49.1115.7152.3-79.2179.6175.3178.40104.7N1030 E1034N1030-K1032 PolarHBondContact O-N 3.45Å; K1032-E1034 VanDerWaalsContact C-N 3.32Å; K1032-E1034 PolarHBondContact O-N 2.92Å
1033S43.8Very low51.3Low109 Ų109126.2 Ų126.276%0.76265%0.645SS**  trans-50.999.9177.8-37.30000107.2S1031 I1035S1031-S1033 PolarHBondContact O-N 3.05Å; S1033-I1035 VanDerWaalsContact C-N 3.33Å; S1033-I1035 PolarHBondContact O-N 3.3Å
1034E41.2Very low53.9Low178 Ų178121.8 Ų121.883%0.83262%0.62SS**  trans-66.3102.1175.1-82.2-177.4162.800105.6K1032 T1036K1032-E1034 VanDerWaalsContact C-N 3.32Å; K1032-E1034 PolarHBondContact O-N 2.92Å; E1034-T1036 VanDerWaalsContact C-N 3.33Å; E1034-T1036 PolarHBondContact O-N 3.39Å
1035I47.8Very low56.5Low100 Ų100117.1 Ų117.151%0.51360%0.604SS.*  trans-54.2104.2167.5-62161.5000105T1012 S1033 R1037T1012-I1035 HydrophobicContact CG2-CG2 4.06Å; S1033-I1035 VanDerWaalsContact C-N 3.33Å; S1033-I1035 PolarHBondContact O-N 3.3Å; I1035-R1037 PolarHBondContact O-N 3.36Å
1036T56.6Low59.3Low86 Ų86108.2 Ų108.253%0.52856%0.561SS.*  trans-70.6107.5-179.2390000107.5N1013 E1034N1013-T1036 WeakPolarHBondContact CB-O 3.27Å; N1013-T1036 PolarHBondContact N-O 2.87Å; E1034-T1036 VanDerWaalsContact C-N 3.33Å; E1034-T1036 PolarHBondContact O-N 3.39Å
1037R68.5Low62Low99 Ų9999.8 Ų99.837%0.37452%0.524SS..EExtended strand (participates in β ladder)trans-84130.2-178-65164.5-170-171.1-7.6109E978 Y1010 I1035 Y1039E978-R1037 IonicContact OE1-CZ 2.83Å; E978-R1037 IonicContact OE1-NH1 3.47Å; E978-R1037 IonicContact OE1-NH2 3.33Å; E978-R1037 PolarHBondContact OE1-NH2 3.1Å; E978-R1037 IonicContact OE2-NH2 3.72Å; Y1010-R1037 HydrophobicContact CD2-CG 4.32Å; I1035-R1037 PolarHBondContact O-N 3.36Å; R1037-Y1039 HydrophobicContact CB-CE2 4.3Å
1038K76.7Confident64.6Low107 Ų10794.1 Ų94.147%0.46550%0.495SS..EExtended strand (participates in β ladder)trans-101.9112.1167-174.1-172.7177.1-163.40108.1G820 Y1010 T1011G820-K1038 PolarHBondContact O-NZ 2.95Å; Y1010-K1038 WeakPolarHBondContact CA-O 3.37Å; T1011-K1038 HydrophobicContact CG2-CB 3.9Å; T1011-K1038 HydrophobicContact CG2-CD 4.41Å; T1011-K1038 PolarHBondContact N-O 3.18Å; T1011-K1038 PolarHBondContact O-N 3.2Å; T1011-K1038 VanDerWaalsContact O-N 3.08Å
1039Y79.6Confident67.4Low93 Ų9390 Ų9037%0.36545%0.452SS..EExtended strand (participates in β ladder)trans-76.5132.3177.5-67.7-71.3000110.2R1008 R1037R1008-Y1039 HydrophobicContact CB-CD1 3.78Å; R1008-Y1039 HydrophobicContact CB-CE1 4.1Å; R1008-Y1039 HydrophobicContact CG-CD1 4.33Å; R1037-Y1039 HydrophobicContact CB-CE2 4.3Å
1040L77.7Confident69.8Low35 Ų3585.1 Ų85.118%0.18343%0.431CS..SBendtrans-92-24.8-177.8-57.2170.9000111.5G820 L1009 T1011G820-L1040 VanDerWaalsContact C-CD2 3.41Å; G820-L1040 WeakPolarHBondContact O-CD2 3.24Å; L1009-L1040 HydrophobicContact CB-CB 4.21Å; L1009-L1040 HydrophobicContact CB-CD1 4.38Å; L1009-L1040 PolarHBondContact O-N 2.8Å; T1011-L1040 HydrophobicContact CG2-CD2 4.13Å
1041T79.7Confident72.2Confident33 Ų3377.2 Ų77.220%0.20239%0.389CS..SBendtrans-130.8159-179.864.80000110.6L1009 I1044L1009-T1041 HydrophobicContact CB-CG2 4.08Å; L1009-T1041 HydrophobicContact CD1-CG2 4.07Å; L1009-T1041 HydrophobicContact CG-CG2 4.1Å; L1009-T1041 PolarHBondContact N-OG1 2.88Å; L1009-T1041 VanDerWaalsContact N-OG1 3.07Å; T1041-I1044 HydrophobicContact CG2-CD1 4.34Å
1042E84.2Confident74.7Confident170 Ų17075.2 Ų75.279%0.79437%0.369SS*.  trans-68.2-179.9163.3-60.9-163.5172.100111.5I1044E1042-I1044 PolarHBondContact O-N 3.11Å
1043E83.2Confident77.1Confident57 Ų5766.2 Ų66.227%0.26633%0.329SS..  trans-71.1110.4175-62.7175.7-178.900109.8I954 K956 F1006 R1008I954-E1043 HydrophobicContact CD1-CG 4.35Å; K956-E1043 VanDerWaalsContact CE-OE2 3.29Å; K956-E1043 WeakPolarHBondContact CE-OE2 3.46Å; K956-E1043 IonicContact NZ-OE1 2.91Å; K956-E1043 PolarHBondContact NZ-OE1 2.86Å; K956-E1043 IonicContact NZ-OE2 3.29Å; K956-E1043 PolarHBondContact NZ-OE2 3.24Å; F1006-E1043 HydrophobicContact CB-CB 4.08Å; F1006-E1043 HydrophobicContact CD1-CB 3.83Å; F1006-E1043 HydrophobicContact CG-CB 4.1Å; R1008-E1043 HydrophobicContact CG-CG 4.17Å; R1008-E1043 IonicContact CZ-OE1 3.89Å; R1008-E1043 VanDerWaalsContact CZ-OE1 3.29Å; R1008-E1043 IonicContact NH1-OE1 3.21Å; R1008-E1043 IonicContact NH2-OE1 2.69Å; R1008-E1043 PolarHBondContact NH2-OE1 3.34Å
1044I86.2Confident79.1Confident55 Ų5561.8 Ų61.828%0.28230%0.297SS..EExtended strand (participates in β ladder)trans-98.8126.4178-58169.9000107.8F1006 Y1007 T1041 E1042 A1046F1006-I1044 CarbonylContact C-O 3.56Å; F1006-I1044 WeakPolarHBondContact CA-O 3.25Å; Y1007-I1044 HydrophobicContact CD1-CB 4.12Å; Y1007-I1044 HydrophobicContact CD1-CG2 4.34Å; Y1007-I1044 WeakPolarHBondContact CD1-O 3.35Å; Y1007-I1044 HydrophobicContact CE1-CB 3.67Å; Y1007-I1044 HydrophobicContact CE1-CG2 3.52Å; Y1007-I1044 HydrophobicContact CE2-CB 4.34Å; Y1007-I1044 HydrophobicContact CE2-CD1 4.02Å; Y1007-I1044 PolarHBondContact N-O 2.91Å; Y1007-I1044 PolarHBondContact O-N 2.92Å; T1041-I1044 HydrophobicContact CG2-CD1 4.34Å; E1042-I1044 PolarHBondContact O-N 3.11Å; I1044-A1046 PolarHBondContact O-N 3.3Å
1045L88.6Confident81.4Confident88 Ų8854.4 Ų54.446%0.46126%0.262SS..EExtended strand (participates in β ladder)trans-64.2123.2178-178.264.3000109.6H1004 F1006H1004-L1045 HydrophobicContact CB-CD1 3.7Å; F1006-L1045 HydrophobicContact CD1-CB 4.11Å; F1006-L1045 HydrophobicContact CD1-CD1 4.3Å; F1006-L1045 HydrophobicContact CE1-CB 3.9Å; F1006-L1045 HydrophobicContact CE1-CD1 3.92Å; F1006-L1045 HydrophobicContact CE2-CD1 4.46Å; F1006-L1045 HydrophobicContact CZ-CD1 4.01Å
1046A85.4Confident83.4Confident7 Ų749.9 Ų49.96%0.05824%0.24CC..EExtended strand (participates in β ladder)trans-101.3-49.7-178.500000111.9I919 F941 L1005 Y1007 I1044I919-A1046 HydrophobicContact CD1-CB 3.95Å; I919-A1046 HydrophobicContact CG1-CB 3.88Å; F941-A1046 HydrophobicContact CE1-CB 4.11Å; F941-A1046 HydrophobicContact CZ-CB 4.22Å; L1005-A1046 HydrophobicContact CD2-CB 4.32Å; L1005-A1046 HydrophobicContact CG-CB 4.2Å; L1005-A1046 WeakPolarHBondContact O-CA 3.18Å; L1005-A1046 VanDerWaalsContact O-CB 3.27Å; L1005-A1046 WeakPolarHBondContact O-CB 2.89Å; L1005-A1046 PolarHBondContact O-N 3.13Å; Y1007-A1046 HydrophobicContact CD1-CB 3.74Å; I1044-A1046 PolarHBondContact O-N 3.3Å
1047A88.2Confident85Confident2 Ų246.6 Ų46.62%0.01722%0.219CC..EExtended strand (participates in β ladder)trans-156.5156-179.600000112.9E922 I939 L1005E922-A1047 WeakPolarHBondContact O-CA 3.32Å; E922-A1047 WeakPolarHBondContact O-CB 3.22Å; I939-A1047 HydrophobicContact CD1-CB 4.01Å; L1005-A1047 HydrophobicContact CB-CB 4.41Å; L1005-A1047 HydrophobicContact CD2-CB 4.39Å; L1005-A1047 PolarHBondContact N-O 3.02Å; L1005-A1047 PolarHBondContact O-N 2.74Å; L1005-A1047 VanDerWaalsContact O-N 3.14Å
1048T91Very high86.2Confident23 Ų2341.9 Ų41.914%0.14120%0.201CC..EExtended strand (participates in β ladder)trans-108.6134.3171.8-51.10000110.3E922 T923 I924 F1003 H1004 F1050E922-T1048 PolarHBondContact O-N 2.91Å; E922-T1048 VanDerWaalsContact O-N 3.1Å; T923-T1048 WeakPolarHBondContact CA-O 3.34Å; I924-T1048 PolarHBondContact N-O 3.29Å; F1003-T1048 WeakPolarHBondContact O-CA 3.45Å; H1004-T1048 PolarHBondContact CD2-OG1 3.27Å; H1004-T1048 PolarHBondContact NE2-OG1 3.48Å; T1048-F1050 HydrophobicContact CG2-CD2 4.49Å; T1048-F1050 HydrophobicContact CG2-CE1 4.49Å; T1048-F1050 HydrophobicContact CG2-CE2 3.81Å; T1048-F1050 HydrophobicContact CG2-CZ 3.81Å
1049I89.7Confident86.8Confident0 Ų039.3 Ų39.30%019%0.189CC..EExtended strand (participates in β ladder)trans-122.4120.3-173.5-50.7170.2000108.8I924 I991 I993 C1002 F1003 L1005 V1051I924-I1049 HydrophobicContact CB-CG1 4.47Å; I924-I1049 HydrophobicContact CB-CG2 4.42Å; I924-I1049 HydrophobicContact CG2-CG2 4.49Å; I924-I1049 WeakPolarHBondContact O-CA 3.31Å; I991-I1049 HydrophobicContact CD1-CD1 3.75Å; I991-I1049 HydrophobicContact CG2-CD1 4.31Å; I993-I1049 HydrophobicContact CD1-CG2 3.91Å; C1002-I1049 WeakPolarHBondContact CA-O 3.3Å; F1003-I1049 HydrophobicContact CB-CB 4.37Å; F1003-I1049 PolarHBondContact N-O 2.97Å; F1003-I1049 PolarHBondContact O-N 3.23Å; L1005-I1049 HydrophobicContact CB-CD1 4.49Å; I1049-V1051 HydrophobicContact CG2-CG2 3.93Å
1050F89.2Confident87.2Confident85 Ų8534.9 Ų34.937%0.37317%0.171SC..EExtended strand (participates in β ladder)trans-104.9122.6175.7-62.6-83000109.6T923 I924 H925 C926 C1002 T1048T923-F1050 HydrophobicContact CG2-CD2 4.1Å; T923-F1050 HydrophobicContact CG2-CE2 3.82Å; I924-F1050 PolarHBondContact O-N 3.13Å; H925-F1050 AromaticContact CE1-CD2 3.37Å; H925-F1050 WeakPolarHBondContact CE1-CD2 3.45Å; H925-F1050 AromaticContact CE1-CE2 3.73Å; H925-F1050 AromaticContact ND1-CD2 3.53Å; H925-F1050 AromaticContact ND1-CG 3.94Å; C926-F1050 VanDerWaalsContact CB-O 3.24Å; C926-F1050 WeakPolarHBondContact CB-O 3.13Å; C926-F1050 PolarHBondContact N-O 3.22Å; C926-F1050 PolarHBondContact SG-O 3.4Å; C1002-F1050 HydrophobicContact CB-CD1 4.24Å; C1002-F1050 HydrophobicContact CB-CE1 4.33Å; C1002-F1050 WeakPolarHBondContact SG-CE1 3.32Å; T1048-F1050 HydrophobicContact CG2-CD2 4.49Å; T1048-F1050 HydrophobicContact CG2-CE1 4.49Å; T1048-F1050 HydrophobicContact CG2-CE2 3.81Å; T1048-F1050 HydrophobicContact CG2-CZ 3.81Å
1051V86.7Confident87.4Confident2 Ų234.3 Ų34.31%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-125122.8-178.1-1750000109C926 L929 F971 I993 F1001 F1003 I1049C926-V1051 HydrophobicContact CB-CG2 4.43Å; L929-V1051 HydrophobicContact CD1-CG1 4.18Å; F971-V1051 HydrophobicContact CZ-CG1 4.39Å; I993-V1051 HydrophobicContact CD1-CG2 3.83Å; I993-V1051 HydrophobicContact CG2-CG1 3.98Å; I993-V1051 HydrophobicContact CG2-CG2 3.98Å; F1001-V1051 HydrophobicContact CB-CB 4.37Å; F1001-V1051 PolarHBondContact N-O 2.94Å; F1001-V1051 PolarHBondContact O-N 3.38Å; F1003-V1051 HydrophobicContact CD2-CG2 4.33Å; F1003-V1051 HydrophobicContact CE2-CG2 4.26Å; I1049-V1051 HydrophobicContact CG2-CG2 3.93Å
1052E87.4Confident87.6Confident62 Ų6232.7 Ų32.729%0.2916%0.16SC..EExtended strand (participates in β ladder)trans-106.7113.2171.2-165.664.7-157.800108P928 L929 S1000 V1054 L1154P928-E1052 WeakPolarHBondContact CA-O 3.03Å; L929-E1052 PolarHBondContact N-O 3.49Å; S1000-E1052 WeakPolarHBondContact CA-OE2 3.18Å; S1000-E1052 WeakPolarHBondContact CB-OE2 3.38Å; S1000-E1052 PolarHBondContact OG-OE1 3.09Å; S1000-E1052 PolarHBondContact OG-OE2 3.09Å; E1052-V1054 HydrophobicContact CG-CG1 4.19Å; E1052-L1154 HydrophobicContact CG-CD1 3.58Å
1053A86.8Confident87.7Confident0 Ų024.6 Ų24.60%012%0.122CC..EExtended strand (participates in β ladder)trans-109.2123.7178.500000110L929 V931 P995 K998 G999 F1001L929-A1053 WeakPolarHBondContact O-CA 3.31Å; V931-A1053 HydrophobicContact CG2-CB 4.33Å; P995-A1053 HydrophobicContact CB-CB 3.38Å; P995-A1053 HydrophobicContact CG-CB 3.62Å; K998-A1053 CarbonylContact C-O 3.58Å; K998-A1053 VanDerWaalsContact CA-O 3.3Å; K998-A1053 WeakPolarHBondContact CA-O 3.43Å; G999-A1053 PolarHBondContact N-O 2.96Å; G999-A1053 PolarHBondContact O-N 3.1Å; F1001-A1053 HydrophobicContact CD2-CB 4.45Å; F1001-A1053 HydrophobicContact CE2-CB 4Å
1054V87Confident87.7Confident15 Ų1523.8 Ų23.89%0.09112%0.118CC..EExtended strand (participates in β ladder)trans-136.4155.6-173.4-63.20000111.5L929 L930 V931 E1052 L1154 I1155L929-V1054 PolarHBondContact O-N 2.9Å; L930-V1054 WeakPolarHBondContact CA-O 3.39Å; V931-V1054 PolarHBondContact N-O 2.86Å; E1052-V1054 HydrophobicContact CG-CG1 4.19Å; V1054-L1154 HydrophobicContact CG1-CD1 4.26Å; V1054-L1154 HydrophobicContact CG2-CB 4.32Å; V1054-I1155 HydrophobicContact CG2-CB 4.43Å; V1054-I1155 HydrophobicContact CG2-CD1 4.23Å; V1054-I1155 HydrophobicContact CG2-CG1 4.04Å; V1054-I1155 HydrophobicContact CG2-CG2 3.69Å
1055Y89.7Confident87.5Confident23 Ų2321.5 Ų21.59%0.0911%0.107CC..  trans-95.9155.7163.9-74.3-68.7000109.9V931 K998 T1057 D1093 P1094 L1099 S1153V931-Y1055 HydrophobicContact CB-CD1 4.14Å; V931-Y1055 HydrophobicContact CB-CE1 3.55Å; V931-Y1055 HydrophobicContact CB-CE2 4.12Å; V931-Y1055 HydrophobicContact CG1-CE1 4.08Å; V931-Y1055 HydrophobicContact CG1-CE2 4.34Å; V931-Y1055 VanDerWaalsContact CG1-OH 3.28Å; V931-Y1055 WeakPolarHBondContact CG1-OH 3.48Å; V931-Y1055 HydrophobicContact CG2-CD1 4.28Å; V931-Y1055 HydrophobicContact CG2-CD2 4.09Å; V931-Y1055 HydrophobicContact CG2-CE1 4.01Å; V931-Y1055 HydrophobicContact CG2-CE2 3.79Å; V931-Y1055 HydrophobicContact CG2-CG 4.33Å; K998-Y1055 HydrophobicContact CB-CD2 4.09Å; K998-Y1055 HydrophobicContact CB-CE2 4.26Å; K998-Y1055 HydrophobicContact CD-CD2 4.45Å; Y1055-T1057 PolarHBondContact O-N 2.84Å; Y1055-D1093 HydrophobicContact CD2-CB 4.35Å; Y1055-D1093 HydrophobicContact CE2-CB 4.41Å; Y1055-P1094 HydrophobicContact CD1-CG 3.46Å; Y1055-P1094 VanDerWaalsContact CD1-CG 3.46Å; Y1055-P1094 VanDerWaalsContact CD2-CD 3.49Å; Y1055-P1094 HydrophobicContact CD2-CG 4.07Å; Y1055-P1094 HydrophobicContact CE1-CG 3.51Å; Y1055-P1094 HydrophobicContact CE2-CG 4.13Å; Y1055-P1094 VanDerWaalsContact CG-CD 3.48Å; Y1055-P1094 HydrophobicContact CG-CG 3.75Å; Y1055-L1099 HydrophobicContact CE1-CD1 4.06Å; Y1055-L1099 HydrophobicContact CE1-CD2 4.28Å; Y1055-S1153 WeakPolarHBondContact O-CB 3.45Å
1056P89.8Confident87Confident6 Ų617.3 Ų17.34%0.0399%0.085CC..  trans-71.1120.2173.226.7-27000108.5L930 I1155 V1157 I1233 N1234 D1235L930-P1056 HydrophobicContact CD1-CG 4.39Å; P1056-I1155 HydrophobicContact CB-CD1 4.06Å; P1056-I1155 HydrophobicContact CB-CG1 4.43Å; P1056-I1155 HydrophobicContact CG-CD1 4.44Å; P1056-V1157 HydrophobicContact CB-CB 4.34Å; P1056-V1157 HydrophobicContact CB-CG1 4.12Å; P1056-V1157 HydrophobicContact CB-CG2 3.61Å; P1056-I1233 HydrophobicContact CB-CG2 3.88Å; P1056-I1233 HydrophobicContact CG-CG2 3.92Å; P1056-N1234 VanDerWaalsContact CG-O 3.24Å; P1056-N1234 WeakPolarHBondContact CG-O 3.06Å; P1056-D1235 WeakPolarHBondContact CD-O 3.41Å; P1056-D1235 HydrophobicContact CG-CB 4.48Å
1057T90.3Very high86.7Confident16 Ų1617.4 Ų17.410%0.0989%0.087CC..  trans-125.3145.6-177.657.90000110.1Y1055 N1151 S1152 S1153Y1055-T1057 PolarHBondContact O-N 2.84Å; T1057-N1151 PolarHBondContact O-OD1 3Å; T1057-S1152 WeakPolarHBondContact CB-OG 3.47Å; T1057-S1152 PolarHBondContact O-N 3.25Å; T1057-S1152 PolarHBondContact O-OG 2.85Å; T1057-S1152 PolarHBondContact OG1-OG 3.16Å; T1057-S1153 WeakPolarHBondContact OG1-CB 3.1Å; T1057-S1153 PolarHBondContact OG1-N 3.21Å
1058L92.4Very high86.1Confident0 Ų018.6 Ų18.60%010%0.096CC..EExtended strand (participates in β ladder)trans-121.6160176.6-65.4174.6000109.2L1090 V1149 E1150 N1151 V1157 F1159 W1231 I1233L1058-L1090 HydrophobicContact CB-CD2 4.37Å; L1058-L1090 WeakPolarHBondContact O-CB 3.11Å; L1058-V1149 HydrophobicContact CB-CG1 4.05Å; L1058-V1149 HydrophobicContact CD1-CG1 4.06Å; L1058-V1149 HydrophobicContact CD2-CG1 4.01Å; L1058-V1149 HydrophobicContact CG-CG1 4.26Å; L1058-E1150 CarbonylContact C-O 3.49Å; L1058-E1150 WeakPolarHBondContact CA-O 3.48Å; L1058-N1151 HydrophobicContact CD2-CB 4.42Å; L1058-V1157 HydrophobicContact CD1-CG1 4.28Å; L1058-V1157 HydrophobicContact CD2-CB 4.17Å; L1058-V1157 HydrophobicContact CD2-CG1 3.65Å; L1058-V1157 HydrophobicContact CG-CG1 3.95Å; L1058-F1159 HydrophobicContact CD1-CB 3.89Å; L1058-F1159 HydrophobicContact CD1-CD1 3.46Å; L1058-F1159 VanDerWaalsContact CD1-CD1 3.46Å; L1058-F1159 HydrophobicContact CD1-CD2 4.17Å; L1058-F1159 HydrophobicContact CD1-CE1 3.92Å; L1058-F1159 HydrophobicContact CD1-CG 3.57Å; L1058-F1159 HydrophobicContact CD1-CZ 4.45Å; L1058-F1159 HydrophobicContact CD2-CD1 4.06Å; L1058-F1159 HydrophobicContact CD2-CE1 4.14Å; L1058-F1159 HydrophobicContact CG-CD1 4.39Å; L1058-W1231 HydrophobicContact CD1-CZ2 3.75Å; L1058-I1233 HydrophobicContact CB-CD1 4.37Å; L1058-I1233 HydrophobicContact CD1-CD1 3.78Å; L1058-I1233 HydrophobicContact CD1-CG1 3.94Å; L1058-I1233 HydrophobicContact CG-CD1 3.98Å
1059R89.2Confident85.5Confident54 Ų5418.1 Ų18.120%0.2049%0.092CC..EExtended strand (participates in β ladder)trans-145.1137.4170.3-180176.656.7-152.12.6110.4T1061 N1087 E1091 V1149 E1150R1059-T1061 HydrophobicContact CG-CG2 4.35Å; R1059-N1087 HydrophobicContact CG-CB 4.39Å; R1059-E1091 VanDerWaalsContact CD-OE1 3.32Å; R1059-E1091 WeakPolarHBondContact CD-OE1 3.45Å; R1059-E1091 IonicContact CZ-OE1 3.69Å; R1059-E1091 IonicContact NE-OE1 3.79Å; R1059-E1091 IonicContact NH1-OE1 2.65Å; R1059-E1091 PolarHBondContact NH1-OE1 3.31Å; R1059-V1149 CarbonylContact O-C 3.54Å; R1059-E1150 IonicContact CZ-OE2 2.79Å; R1059-E1150 PolarHBondContact N-O 3.4Å; R1059-E1150 IonicContact NE-OE2 2.63Å; R1059-E1150 IonicContact NH2-OE2 2.75Å; R1059-E1150 PolarHBondContact NH2-OE2 2.92Å; R1059-E1150 PolarHBondContact O-N 3.09Å
1060I88.8Confident84.8Confident0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans-81.3126.2168.2-58.5173.1000108W1078 I1083 L1086 N1087 L1090 F1147 L1148 V1149 W1231I1060-W1078 HydrophobicContact CG2-CZ3 4.22Å; I1060-W1078 VanDerWaalsContact O-CH2 3.28Å; I1060-W1078 WeakPolarHBondContact O-CH2 3.42Å; I1060-I1083 HydrophobicContact CB-CG2 3.9Å; I1060-I1083 HydrophobicContact CD1-CD1 4.19Å; I1060-I1083 HydrophobicContact CD1-CG2 4.29Å; I1060-I1083 HydrophobicContact CG2-CG2 3.95Å; I1060-L1086 HydrophobicContact CD1-CD2 3.66Å; I1060-L1086 HydrophobicContact CD1-CG 4.42Å; I1060-N1087 WeakPolarHBondContact CB-OD1 3.36Å; I1060-N1087 PolarHBondContact N-OD1 3.24Å; I1060-N1087 PolarHBondContact O-ND2 3.49Å; I1060-L1090 HydrophobicContact CD1-CD1 4.45Å; I1060-L1090 HydrophobicContact CG1-CD1 4.25Å; I1060-F1147 HydrophobicContact CD1-CD2 4.01Å; I1060-F1147 HydrophobicContact CD1-CE2 4.27Å; I1060-F1147 HydrophobicContact CD1-CG 4.34Å; I1060-F1147 HydrophobicContact CG2-CB 4.35Å; I1060-L1148 CarbonylContact C-O 3.56Å; I1060-L1148 WeakPolarHBondContact CA-O 3.28Å; I1060-V1149 HydrophobicContact CG1-CG2 4.36Å; I1060-W1231 HydrophobicContact CD1-CH2 4.27Å; I1060-W1231 HydrophobicContact CD1-CZ3 4.24Å; I1060-W1231 HydrophobicContact CG1-CH2 4.22Å
1061T81.8Confident84Confident22 Ų2219.1 Ų19.114%0.13510%0.101CC..EExtended strand (participates in β ladder)trans-114.9-21.6-173.653.30000114.3R1059 L1148 E1150R1059-T1061 HydrophobicContact CG-CG2 4.35Å; T1061-L1148 PolarHBondContact N-O 3.07Å; T1061-L1148 WeakPolarHBondContact OG1-CD2 3.33Å; T1061-L1148 PolarHBondContact OG1-O 2.99Å; T1061-E1150 HydrophobicContact CG2-CB 3.83Å; T1061-E1150 WeakPolarHBondContact CG2-OE2 3.2Å
1062D83.8Confident83.6Confident0 Ų019.6 Ų19.60%010%0.104CC..EExtended strand (participates in β ladder)trans-151153.1178.4-169.39.8000109.5L1148 R1453 R1454 I1455D1062-L1148 HydrophobicContact CB-CB 3.84Å; D1062-L1148 HydrophobicContact CB-CD2 4Å; D1062-L1148 PolarHBondContact O-N 3.48Å; D1062-R1453 IonicContact OD1-NH1 3.65Å; D1062-R1453 IonicContact OD2-NE 3.76Å; D1062-R1454 PolarHBondContact OD2-N 3.15Å; D1062-I1455 HydrophobicContact CB-CD1 4.1Å; D1062-I1455 HydrophobicContact CB-CG1 4.08Å; D1062-I1455 WeakPolarHBondContact OD2-CG1 3.28Å; D1062-I1455 PolarHBondContact OD2-N 3.33Å
1063I86Confident83.2Confident0 Ų016.6 Ų16.60%09%0.09CC..EExtended strand (participates in β ladder)trans-140.9146.2-175.9-171165.1000111.3P1074 L1077 W1078 L1081 I1083 L1145 C1146 F1147 R1453I1063-P1074 HydrophobicContact CG2-CB 4.1Å; I1063-P1074 WeakPolarHBondContact CG2-O 3.25Å; I1063-L1077 HydrophobicContact CD1-CB 3.76Å; I1063-L1077 HydrophobicContact CG1-CB 4.21Å; I1063-L1077 HydrophobicContact CG1-CD1 4.5Å; I1063-L1077 HydrophobicContact CG2-CB 4.46Å; I1063-W1078 HydrophobicContact CB-CE3 4.31Å; I1063-W1078 HydrophobicContact CG2-CB 4.38Å; I1063-W1078 HydrophobicContact CG2-CE3 3.84Å; I1063-L1081 HydrophobicContact CD1-CD1 3.77Å; I1063-I1083 HydrophobicContact CD1-CD1 4.36Å; I1063-I1083 HydrophobicContact CD1-CG1 4.23Å; I1063-L1145 HydrophobicContact CD1-CD1 4.04Å; I1063-L1145 HydrophobicContact CG1-CD1 3.94Å; I1063-C1146 CarbonylContact C-O 3.55Å; I1063-C1146 WeakPolarHBondContact CA-O 3.32Å; I1063-F1147 HydrophobicContact CD1-CD1 4.01Å; I1063-F1147 HydrophobicContact CD1-CE1 3.55Å; I1063-F1147 HydrophobicContact CG1-CD1 3.93Å; I1063-F1147 HydrophobicContact CG1-CE1 3.94Å; I1063-R1453 PolarHBondContact O-NH1 2.73Å
1064H83.6Confident83Confident40 Ų4017 Ų1719%0.1859%0.093CC..EExtended strand (participates in β ladder)trans-146.7141.9175.8-165.7-115.3000113.3L1145 C1146 R1453 I1455H1064-L1145 CarbonylContact O-C 3.53Å; H1064-L1145 WeakPolarHBondContact O-CA 3.46Å; H1064-C1146 HydrophobicContact CB-CB 4.07Å; H1064-C1146 PolarHBondContact N-O 2.88Å; H1064-C1146 PolarHBondContact O-N 2.83Å; H1064-R1453 VanDerWaalsContact CB-NH1 3.33Å; H1064-R1453 PolarHBondContact CD2-NH1 2.88Å; H1064-R1453 VanDerWaalsContact CD2-NH1 3.25Å; H1064-R1453 PolarHBondContact CD2-NH2 2.84Å; H1064-I1455 HydrophobicContact CB-CD1 3.96Å
1065G82.3Confident82.6Confident6 Ų616.4 Ų16.46%0.0629%0.089CC..EExtended strand (participates in β ladder)trans-115142.3169.100000111.1L1077 L1144G1065-L1077 VanDerWaalsContact N-CD1 3.34Å; G1065-L1144 CarbonylContact C-O 3.59Å; G1065-L1144 WeakPolarHBondContact CA-O 3.49Å
1066S79Confident82Confident0 Ų017.9 Ų17.90%010%0.097CC..EExtended strand (participates in β ladder)trans-144.4169.3177.741.40000111S1068 L1069 L1144 I1459 D1460S1066-S1068 PolarHBondContact O-N 3.02Å; S1066-L1069 PolarHBondContact O-N 3.14Å; S1066-L1144 PolarHBondContact N-O 3.25Å; S1066-L1144 PolarHBondContact O-N 3.01Å; S1066-L1144 WeakPolarHBondContact OG-CB 3.27Å; S1066-L1144 PolarHBondContact OG-O 3.31Å; S1066-I1459 WeakPolarHBondContact OG-CB 2.98Å; S1066-I1459 WeakPolarHBondContact OG-CD1 3.32Å; S1066-I1459 WeakPolarHBondContact OG-CG2 3.17Å; S1066-D1460 WeakPolarHBondContact CA-OD2 3.46Å; S1066-D1460 WeakPolarHBondContact CB-OD2 3.47Å
1067G77.3Confident81.7Confident9 Ų917.9 Ų17.99%0.09310%0.096CC..EExtended strand (participates in β ladder)trans67.5-123-172.800000111.5L1069 N1070 K1142 D1460G1067-L1069 PolarHBondContact O-N 2.7Å; G1067-L1069 VanDerWaalsContact O-N 3.14Å; G1067-N1070 WeakPolarHBondContact O-CB 3.32Å; G1067-N1070 PolarHBondContact O-N 2.74Å; G1067-K1142 CarbonylContact C-O 3.57Å; G1067-K1142 WeakPolarHBondContact CA-O 3.46Å; G1067-D1460 PolarHBondContact N-OD2 3.11Å
1068S76.7Confident81.3Confident28 Ų2817.5 Ų17.520%0.1969%0.093CC..THydrogen-bonded Turntrans-64.4-17.5177.468.30000113.6S1066 K1142 A1143 H1219S1066-S1068 PolarHBondContact O-N 3.02Å; S1068-K1142 PolarHBondContact N-O 2.95Å; S1068-A1143 VanDerWaalsContact OG-CA 3.25Å; S1068-A1143 WeakPolarHBondContact OG-CA 3.11Å; S1068-A1143 WeakPolarHBondContact OG-CB 3.37Å; S1068-A1143 PolarHBondContact OG-N 3.19Å; S1068-H1219 PolarHBondContact OG-NE2 2.83Å
1069L78.4Confident80.4Confident12 Ų1219.5 Ų19.56%0.06310%0.101CC..THydrogen-bonded Turntrans-86.4-4.9174.7-74.2176.4000114.6S1066 G1067 N1071 T1072 L1077 I1127 A1143 L1145S1066-L1069 PolarHBondContact O-N 3.14Å; G1067-L1069 PolarHBondContact O-N 2.7Å; G1067-L1069 VanDerWaalsContact O-N 3.14Å; L1069-N1071 PolarHBondContact O-N 2.89Å; L1069-T1072 VanDerWaalsContact O-CB 3.31Å; L1069-T1072 WeakPolarHBondContact O-CB 3.18Å; L1069-T1072 PolarHBondContact O-N 3.19Å; L1069-T1072 PolarHBondContact O-OG1 3.21Å; L1069-L1077 HydrophobicContact CD1-CD2 4.44Å; L1069-L1077 HydrophobicContact CD2-CD2 4.18Å; L1069-I1127 WeakPolarHBondContact CD1-O 3.42Å; L1069-I1127 VanDerWaalsContact CD2-O 3.29Å; L1069-I1127 WeakPolarHBondContact CD2-O 3.18Å; L1069-A1143 HydrophobicContact CD1-CB 4.33Å; L1069-A1143 HydrophobicContact CG-CB 4.16Å; L1069-L1145 HydrophobicContact CD1-CB 4.08Å; L1069-L1145 HydrophobicContact CD1-CD1 4.38Å
1070N75Confident79.8Confident29 Ų2918.7 Ų18.716%0.15510%0.103CC..THydrogen-bonded Turntrans-55.4-24.8-174.6-171.318.8000113.5G1067 T1072 Y1631G1067-N1070 WeakPolarHBondContact O-CB 3.32Å; G1067-N1070 PolarHBondContact O-N 2.74Å; N1070-T1072 VanDerWaalsContact C-N 3.28Å; N1070-T1072 PolarHBondContact O-N 3.32Å; N1070-Y1631 VanDerWaalsContact O-CE2 3.25Å; N1070-Y1631 WeakPolarHBondContact O-CE2 3.37Å; N1070-Y1631 PolarHBondContact O-OH 2.74Å
1071N73Confident79.4Confident77 Ų7718.9 Ų18.941%0.41210%0.104SC..THydrogen-bonded Turntrans-82.62.5177.8-66.411.9000114.4L1069 K1554 Y1631L1069-N1071 PolarHBondContact O-N 2.89Å; N1071-K1554 PolarHBondContact O-NZ 3.25Å; N1071-K1554 VanDerWaalsContact O-NZ 3.09Å; N1071-Y1631 WeakPolarHBondContact CA-OH 3.41Å
1072T78Confident79.2Confident12 Ų1220.6 Ų20.67%0.07411%0.113CC..SBendtrans-112.1129.6-171.9-40.60000109.8L1069 N1070 E1076 L1077L1069-T1072 VanDerWaalsContact O-CB 3.31Å; L1069-T1072 WeakPolarHBondContact O-CB 3.18Å; L1069-T1072 PolarHBondContact O-N 3.19Å; L1069-T1072 PolarHBondContact O-OG1 3.21Å; N1070-T1072 VanDerWaalsContact C-N 3.28Å; N1070-T1072 PolarHBondContact O-N 3.32Å; T1072-E1076 HydrophobicContact CG2-CB 4.04Å; T1072-E1076 HydrophobicContact CG2-CG 3.84Å; T1072-L1077 HydrophobicContact CG2-CD2 3.85Å; T1072-L1077 HydrophobicContact CG2-CG 3.86Å
1073S79.2Confident79.2Confident0 Ų020.6 Ų20.60%011%0.113CC..  trans-74.9154.1-179.671.10000111.6V1075 E1076 L1077S1073-V1075 PolarHBondContact O-N 3.46Å; S1073-E1076 PolarHBondContact O-N 3.27Å; S1073-E1076 VanDerWaalsContact O-N 3.14Å; S1073-E1076 WeakPolarHBondContact OG-CB 3.1Å; S1073-E1076 PolarHBondContact OG-N 2.8Å; S1073-L1077 WeakPolarHBondContact O-CG 3.45Å; S1073-L1077 PolarHBondContact O-N 3.37Å
1074P80.9Confident78.8Confident8 Ų822 Ų225%0.05212%0.12CC..Hα-helixtrans-55.4-36.8172.8-27.635.9000113.4I1063 L1077 W1078I1063-P1074 HydrophobicContact CG2-CB 4.1Å; I1063-P1074 WeakPolarHBondContact CG2-O 3.25Å; P1074-L1077 PolarHBondContact O-N 3.16Å; P1074-W1078 WeakPolarHBondContact O-CB 3.46Å; P1074-W1078 PolarHBondContact O-N 3.15Å
1075V79Confident78.5Confident3 Ų321.5 Ų21.52%0.01812%0.121CC..Hα-helixtrans-66.7-43177.8-179.80000111.2S1073 W1078 R1079 P1450 H1468 L1469 T1633S1073-V1075 PolarHBondContact O-N 3.46Å; V1075-W1078 PolarHBondContact O-N 3.34Å; V1075-R1079 WeakPolarHBondContact O-CG 3.2Å; V1075-R1079 PolarHBondContact O-N 2.81Å; V1075-P1450 HydrophobicContact CG2-CG 4.31Å; V1075-H1468 HydrophobicContact CG2-CB 4.32Å; V1075-H1468 WeakPolarHBondContact CG2-O 3.11Å; V1075-L1469 HydrophobicContact CG1-CD1 4.2Å; V1075-L1469 HydrophobicContact CG1-CD2 4.42Å; V1075-L1469 HydrophobicContact CG2-CB 3.8Å; V1075-L1469 HydrophobicContact CG2-CD1 4.42Å; V1075-T1633 HydrophobicContact CG1-CG2 4.36Å
1076E78.4Confident78.7Confident54 Ų5421.3 Ų21.325%0.25212%0.119SC..Hα-helixtrans-65.2-41176.4-174175.6-174.100110.9T1072 S1073 R1079 S1080 K1554T1072-E1076 HydrophobicContact CG2-CB 4.04Å; T1072-E1076 HydrophobicContact CG2-CG 3.84Å; S1073-E1076 PolarHBondContact O-N 3.27Å; S1073-E1076 VanDerWaalsContact O-N 3.14Å; S1073-E1076 WeakPolarHBondContact OG-CB 3.1Å; S1073-E1076 PolarHBondContact OG-N 2.8Å; E1076-R1079 PolarHBondContact O-N 2.66Å; E1076-S1080 WeakPolarHBondContact O-CA 3.16Å; E1076-S1080 WeakPolarHBondContact O-CB 3.48Å; E1076-S1080 PolarHBondContact O-N 3.29Å; E1076-S1080 PolarHBondContact O-OG 3.36Å; E1076-K1554 IonicContact OE2-NZ 3.7Å; E1076-K1554 PolarHBondContact OE2-NZ 3.32Å
1077L83Confident79Confident5 Ų521.3 Ų21.33%0.02612%0.119CC..Hα-helixtrans-60.2-51.1172.5-71.6171.1000111.3I1063 G1065 L1069 T1072 S1073 P1074 R1079 S1080 L1081 L1145I1063-L1077 HydrophobicContact CD1-CB 3.76Å; I1063-L1077 HydrophobicContact CG1-CB 4.21Å; I1063-L1077 HydrophobicContact CG1-CD1 4.5Å; I1063-L1077 HydrophobicContact CG2-CB 4.46Å; G1065-L1077 VanDerWaalsContact N-CD1 3.34Å; L1069-L1077 HydrophobicContact CD1-CD2 4.44Å; L1069-L1077 HydrophobicContact CD2-CD2 4.18Å; T1072-L1077 HydrophobicContact CG2-CD2 3.85Å; T1072-L1077 HydrophobicContact CG2-CG 3.86Å; S1073-L1077 WeakPolarHBondContact O-CG 3.45Å; S1073-L1077 PolarHBondContact O-N 3.37Å; P1074-L1077 PolarHBondContact O-N 3.16Å; L1077-R1079 VanDerWaalsContact C-N 3.29Å; L1077-R1079 PolarHBondContact O-N 2.95Å; L1077-S1080 WeakPolarHBondContact CA-OG 3.3Å; L1077-S1080 PolarHBondContact O-N 2.88Å; L1077-S1080 VanDerWaalsContact O-N 3.07Å; L1077-S1080 PolarHBondContact O-OG 2.84Å; L1077-L1081 WeakPolarHBondContact O-CB 3.19Å; L1077-L1081 WeakPolarHBondContact O-CG 3.33Å; L1077-L1081 PolarHBondContact O-N 2.9Å; L1077-L1145 HydrophobicContact CD1-CD1 4.31Å; L1077-L1145 HydrophobicContact CD2-CD1 4.43Å
1078W80.9Confident79.2Confident9 Ų924.4 Ų24.43%0.03413%0.132CC..Hα-helixtrans-53.2-46.4178.8-168.8-82.7000112.1I1060 I1063 P1074 V1075 D1082 I1083 D1084 F1448I1060-W1078 HydrophobicContact CG2-CZ3 4.22Å; I1060-W1078 VanDerWaalsContact O-CH2 3.28Å; I1060-W1078 WeakPolarHBondContact O-CH2 3.42Å; I1063-W1078 HydrophobicContact CB-CE3 4.31Å; I1063-W1078 HydrophobicContact CG2-CB 4.38Å; I1063-W1078 HydrophobicContact CG2-CE3 3.84Å; P1074-W1078 WeakPolarHBondContact O-CB 3.46Å; P1074-W1078 PolarHBondContact O-N 3.15Å; V1075-W1078 PolarHBondContact O-N 3.34Å; W1078-D1082 PolarHBondContact O-N 2.86Å; W1078-I1083 HydrophobicContact CD2-CB 3.67Å; W1078-I1083 HydrophobicContact CD2-CG1 4.15Å; W1078-I1083 HydrophobicContact CD2-CG2 3.78Å; W1078-I1083 HydrophobicContact CE3-CB 4.08Å; W1078-I1083 HydrophobicContact CE3-CG1 4.3Å; W1078-I1083 HydrophobicContact CE3-CG2 3.79Å; W1078-I1083 HydrophobicContact CG-CB 3.97Å; W1078-I1083 HydrophobicContact CG-CG1 4.27Å; W1078-I1083 HydrophobicContact CH2-CG2 3.63Å; W1078-I1083 HydrophobicContact CZ2-CB 4.17Å; W1078-I1083 HydrophobicContact CZ2-CG2 3.57Å; W1078-I1083 HydrophobicContact CZ3-CG2 3.73Å; W1078-I1083 WeakPolarHBondContact O-CG1 3.2Å; W1078-I1083 PolarHBondContact O-N 3.39Å; W1078-I1083 VanDerWaalsContact O-N 3.08Å; W1078-D1084 PolarHBondContact NE1-OD1 2.86Å; W1078-D1084 PolarHBondContact NE1-OD2 3.3Å; W1078-D1084 VanDerWaalsContact NE1-OD2 3.11Å; W1078-F1448 HydrophobicContact CZ2-CB 4.2Å; W1078-F1448 VanDerWaalsContact CZ2-O 3.29Å; W1078-F1448 WeakPolarHBondContact CZ2-O 3.41Å
1079R74.9Confident79.6Confident42 Ų4224.1 Ų24.116%0.15813%0.13CC..Hα-helixtrans-72.5-36.6177-69.3176.5-176.8160.811113.1V1075 E1076 L1077 L1081 D1082 Y1259 R1409 E1552 N1635V1075-R1079 WeakPolarHBondContact O-CG 3.2Å; V1075-R1079 PolarHBondContact O-N 2.81Å; E1076-R1079 PolarHBondContact O-N 2.66Å; L1077-R1079 VanDerWaalsContact C-N 3.29Å; L1077-R1079 PolarHBondContact O-N 2.95Å; R1079-L1081 VanDerWaalsContact C-N 3.31Å; R1079-D1082 PolarHBondContact O-N 3.14Å; R1079-Y1259 PolarHBondContact O-OH 2.94Å; R1079-Y1259 VanDerWaalsContact O-OH 3.11Å; R1079-R1409 PolarHBondContact O-NH1 3.18Å; R1079-R1409 VanDerWaalsContact O-NH1 3.07Å; R1079-E1552 IonicContact NH1-OE1 3.37Å; R1079-E1552 PolarHBondContact NH1-OE1 3.43Å; R1079-E1552 IonicContact NH1-OE2 3.77Å; R1079-E1552 PolarHBondContact NH1-OE2 2.83Å; R1079-E1552 VanDerWaalsContact NH1-OE2 3.08Å; R1079-N1635 PolarHBondContact NH2-ND2 2.82Å
1080S75.2Confident80Confident36 Ų3623.6 Ų23.625%0.25213%0.128SC..Hα-helixtrans-66.8-37.8-176.871.30000111.7E1076 L1077 Y1259E1076-S1080 WeakPolarHBondContact O-CA 3.16Å; E1076-S1080 WeakPolarHBondContact O-CB 3.48Å; E1076-S1080 PolarHBondContact O-N 3.29Å; E1076-S1080 PolarHBondContact O-OG 3.36Å; L1077-S1080 WeakPolarHBondContact CA-OG 3.3Å; L1077-S1080 PolarHBondContact O-N 2.88Å; L1077-S1080 VanDerWaalsContact O-N 3.07Å; L1077-S1080 PolarHBondContact O-OG 2.84Å; S1080-Y1259 WeakPolarHBondContact CA-OH 3.36Å; S1080-Y1259 PolarHBondContact O-OH 3.07Å; S1080-Y1259 VanDerWaalsContact O-OH 3.11Å
1081L81.2Confident80.5Confident4 Ų424 Ų242%0.02113%0.129CC..THydrogen-bonded Turntrans-94.41.6-177.2-60-178.2000113.3I1063 L1077 R1079 I1083 L1125 F1126 L1145 F1147I1063-L1081 HydrophobicContact CD1-CD1 3.77Å; L1077-L1081 WeakPolarHBondContact O-CB 3.19Å; L1077-L1081 WeakPolarHBondContact O-CG 3.33Å; L1077-L1081 PolarHBondContact O-N 2.9Å; R1079-L1081 VanDerWaalsContact C-N 3.31Å; L1081-I1083 VanDerWaalsContact C-N 3.32Å; L1081-I1083 HydrophobicContact CB-CD1 3.71Å; L1081-I1083 HydrophobicContact CB-CG1 4.04Å; L1081-I1083 HydrophobicContact CD1-CD1 4.46Å; L1081-I1083 PolarHBondContact O-N 2.76Å; L1081-L1125 HydrophobicContact CB-CD1 3.76Å; L1081-L1125 HydrophobicContact CD1-CD1 3.9Å; L1081-L1125 HydrophobicContact CD1-CG 4.3Å; L1081-L1125 HydrophobicContact CD2-CD1 3.67Å; L1081-L1125 HydrophobicContact CD2-CG 3.73Å; L1081-L1125 HydrophobicContact CG-CD1 3.96Å; L1081-L1125 HydrophobicContact CG-CG 4.46Å; L1081-F1126 WeakPolarHBondContact CD2-O 3.44Å; L1081-L1145 HydrophobicContact CD1-CD1 4.14Å; L1081-L1145 HydrophobicContact CD1-CD2 3.68Å; L1081-F1147 HydrophobicContact CD1-CE1 3.98Å; L1081-F1147 HydrophobicContact CD1-CZ 4.02Å
1082D77.7Confident81Confident58 Ų5822.4 Ų22.431%0.3113%0.126SC..THydrogen-bonded Turntrans52.447.6178.6-162.611.3000112.9W1078 R1079 D1084 S1085 L1086W1078-D1082 PolarHBondContact O-N 2.86Å; R1079-D1082 PolarHBondContact O-N 3.14Å; D1082-D1084 PolarHBondContact O-N 3.36Å; D1082-S1085 VanDerWaalsContact CG-CB 3.41Å; D1082-S1085 PolarHBondContact O-N 2.91Å; D1082-S1085 VanDerWaalsContact OD1-CB 3.25Å; D1082-S1085 WeakPolarHBondContact OD1-CB 3.25Å; D1082-S1085 PolarHBondContact OD1-OG 2.62Å; D1082-S1085 VanDerWaalsContact OD2-CB 3.31Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.39Å; D1082-S1085 PolarHBondContact OD2-OG 2.7Å; D1082-S1085 VanDerWaalsContact OD2-OG 3.09Å; D1082-L1086 PolarHBondContact O-N 3.19Å
1083I84.6Confident81.3Confident0 Ų025.8 Ų25.80%014%0.144CC..Hα-helixtrans-63.5-28.7-173.8-58.4-60.4000111.7I1060 I1063 W1078 L1081 L1086 N1087 F1147I1060-I1083 HydrophobicContact CB-CG2 3.9Å; I1060-I1083 HydrophobicContact CD1-CD1 4.19Å; I1060-I1083 HydrophobicContact CD1-CG2 4.29Å; I1060-I1083 HydrophobicContact CG2-CG2 3.95Å; I1063-I1083 HydrophobicContact CD1-CD1 4.36Å; I1063-I1083 HydrophobicContact CD1-CG1 4.23Å; W1078-I1083 HydrophobicContact CD2-CB 3.67Å; W1078-I1083 HydrophobicContact CD2-CG1 4.15Å; W1078-I1083 HydrophobicContact CD2-CG2 3.78Å; W1078-I1083 HydrophobicContact CE3-CB 4.08Å; W1078-I1083 HydrophobicContact CE3-CG1 4.3Å; W1078-I1083 HydrophobicContact CE3-CG2 3.79Å; W1078-I1083 HydrophobicContact CG-CB 3.97Å; W1078-I1083 HydrophobicContact CG-CG1 4.27Å; W1078-I1083 HydrophobicContact CH2-CG2 3.63Å; W1078-I1083 HydrophobicContact CZ2-CB 4.17Å; W1078-I1083 HydrophobicContact CZ2-CG2 3.57Å; W1078-I1083 HydrophobicContact CZ3-CG2 3.73Å; W1078-I1083 WeakPolarHBondContact O-CG1 3.2Å; W1078-I1083 PolarHBondContact O-N 3.39Å; W1078-I1083 VanDerWaalsContact O-N 3.08Å; L1081-I1083 VanDerWaalsContact C-N 3.32Å; L1081-I1083 HydrophobicContact CB-CD1 3.71Å; L1081-I1083 HydrophobicContact CB-CG1 4.04Å; L1081-I1083 HydrophobicContact CD1-CD1 4.46Å; L1081-I1083 PolarHBondContact O-N 2.76Å; I1083-L1086 HydrophobicContact CD1-CD2 4.18Å; I1083-L1086 PolarHBondContact O-N 2.71Å; I1083-N1087 VanDerWaalsContact O-CB 3.27Å; I1083-N1087 WeakPolarHBondContact O-CB 3.25Å; I1083-N1087 VanDerWaalsContact O-CG 3.29Å; I1083-N1087 PolarHBondContact O-N 2.87Å; I1083-F1147 HydrophobicContact CD1-CE1 4.36Å; I1083-F1147 HydrophobicContact CD1-CZ 4.25Å
1084D77.5Confident81.7Confident29 Ų2926.5 Ų26.516%0.15515%0.148CC..Hα-helixtrans-65-49.6175.9-63.7-51000111.5W1078 D1082 L1086 N1087 I1088W1078-D1084 PolarHBondContact NE1-OD1 2.86Å; W1078-D1084 PolarHBondContact NE1-OD2 3.3Å; W1078-D1084 VanDerWaalsContact NE1-OD2 3.11Å; D1082-D1084 PolarHBondContact O-N 3.36Å; D1084-L1086 VanDerWaalsContact C-N 3.27Å; D1084-L1086 PolarHBondContact O-N 3.44Å; D1084-N1087 PolarHBondContact O-N 2.86Å; D1084-I1088 VanDerWaalsContact O-CG1 3.29Å; D1084-I1088 WeakPolarHBondContact O-CG1 3.44Å; D1084-I1088 PolarHBondContact O-N 3.11Å
1085S76.7Confident81.7Confident31 Ų3129.1 Ų29.122%0.21716%0.164CC..Hα-helixtrans-64.3-35175.9-56.80000111.8D1082 S1089D1082-S1085 VanDerWaalsContact CG-CB 3.41Å; D1082-S1085 PolarHBondContact O-N 2.91Å; D1082-S1085 VanDerWaalsContact OD1-CB 3.25Å; D1082-S1085 WeakPolarHBondContact OD1-CB 3.25Å; D1082-S1085 PolarHBondContact OD1-OG 2.62Å; D1082-S1085 VanDerWaalsContact OD2-CB 3.31Å; D1082-S1085 WeakPolarHBondContact OD2-CB 3.39Å; D1082-S1085 PolarHBondContact OD2-OG 2.7Å; D1082-S1085 VanDerWaalsContact OD2-OG 3.09Å; S1085-S1089 VanDerWaalsContact O-CB 3.3Å; S1085-S1089 WeakPolarHBondContact O-CB 3.46Å; S1085-S1089 PolarHBondContact O-N 3.34Å; S1085-S1089 PolarHBondContact O-OG 3.31Å
1086L86.3Confident81.7Confident1 Ų136.9 Ų36.91%0.00520%0.2CC..Hα-helixtrans-65.5-42.8173.8-176.860.5000111.6I1060 D1082 I1083 D1084 S1089 L1090 F1123 W1231 I1239 L1241I1060-L1086 HydrophobicContact CD1-CD2 3.66Å; I1060-L1086 HydrophobicContact CD1-CG 4.42Å; D1082-L1086 PolarHBondContact O-N 3.19Å; I1083-L1086 HydrophobicContact CD1-CD2 4.18Å; I1083-L1086 PolarHBondContact O-N 2.71Å; D1084-L1086 VanDerWaalsContact C-N 3.27Å; D1084-L1086 PolarHBondContact O-N 3.44Å; L1086-S1089 CarbonylContact O-C 3.54Å; L1086-S1089 WeakPolarHBondContact O-CB 3.22Å; L1086-S1089 PolarHBondContact O-N 3.37Å; L1086-L1090 HydrophobicContact CG-CD1 4.09Å; L1086-L1090 WeakPolarHBondContact O-CB 3.49Å; L1086-L1090 VanDerWaalsContact O-CG 3.24Å; L1086-L1090 WeakPolarHBondContact O-CG 3.31Å; L1086-L1090 PolarHBondContact O-N 2.74Å; L1086-F1123 HydrophobicContact CB-CD1 4.36Å; L1086-F1123 HydrophobicContact CB-CE1 4.18Å; L1086-F1123 HydrophobicContact CB-CZ 4.47Å; L1086-F1123 HydrophobicContact CD1-CD1 4.39Å; L1086-F1123 HydrophobicContact CD1-CD2 3.84Å; L1086-F1123 HydrophobicContact CD1-CE2 3.97Å; L1086-F1123 HydrophobicContact CD1-CG 4.05Å; L1086-F1123 HydrophobicContact CD1-CZ 4.33Å; L1086-W1231 HydrophobicContact CD2-CZ3 4.42Å; L1086-I1239 HydrophobicContact CD1-CD1 3.61Å; L1086-I1239 HydrophobicContact CD1-CG2 4.02Å; L1086-L1241 HydrophobicContact CD1-CD2 4.11Å
1087N86.3Confident81.7Confident0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-67-44176.7-82.8-20.2000112.2R1059 I1060 I1083 D1084 S1089 L1090 E1091R1059-N1087 HydrophobicContact CG-CB 4.39Å; I1060-N1087 WeakPolarHBondContact CB-OD1 3.36Å; I1060-N1087 PolarHBondContact N-OD1 3.24Å; I1060-N1087 PolarHBondContact O-ND2 3.49Å; I1083-N1087 VanDerWaalsContact O-CB 3.27Å; I1083-N1087 WeakPolarHBondContact O-CB 3.25Å; I1083-N1087 VanDerWaalsContact O-CG 3.29Å; I1083-N1087 PolarHBondContact O-N 2.87Å; D1084-N1087 PolarHBondContact O-N 2.86Å; N1087-S1089 PolarHBondContact O-N 2.92Å; N1087-L1090 PolarHBondContact O-N 3.09Å; N1087-L1090 VanDerWaalsContact O-N 3.14Å; N1087-E1091 PolarHBondContact O-N 3.43Å
1088I80.1Confident81.7Confident74 Ų7441 Ų4138%0.37921%0.214SC..Hα-helixtrans-56-45.2172.3-70.2164.6000109.4D1084 A1092 F1445D1084-I1088 VanDerWaalsContact O-CG1 3.29Å; D1084-I1088 WeakPolarHBondContact O-CG1 3.44Å; D1084-I1088 PolarHBondContact O-N 3.11Å; I1088-A1092 WeakPolarHBondContact O-CB 3.45Å; I1088-A1092 PolarHBondContact O-N 2.93Å; I1088-F1445 HydrophobicContact CD1-CD1 3.66Å; I1088-F1445 HydrophobicContact CD1-CE1 3.64Å
1089S84.6Confident81.7Confident22 Ų2243.3 Ų43.315%0.15423%0.227CC..Hα-helixtrans-61.5-52.2174.6-690000110.8S1085 L1086 N1087 E1091 A1092 F1123 R1237S1085-S1089 VanDerWaalsContact O-CB 3.3Å; S1085-S1089 WeakPolarHBondContact O-CB 3.46Å; S1085-S1089 PolarHBondContact O-N 3.34Å; S1085-S1089 PolarHBondContact O-OG 3.31Å; L1086-S1089 CarbonylContact O-C 3.54Å; L1086-S1089 WeakPolarHBondContact O-CB 3.22Å; L1086-S1089 PolarHBondContact O-N 3.37Å; N1087-S1089 PolarHBondContact O-N 2.92Å; S1089-E1091 PolarHBondContact O-N 2.82Å; S1089-A1092 VanDerWaalsContact O-CB 3.31Å; S1089-A1092 WeakPolarHBondContact O-CB 3.21Å; S1089-A1092 PolarHBondContact O-N 2.83Å; S1089-F1123 WeakPolarHBondContact OG-CZ 3.1Å; S1089-R1237 WeakPolarHBondContact O-CD 3.38Å; S1089-R1237 PolarHBondContact O-NE 3.39Å; S1089-R1237 PolarHBondContact O-NH1 2.86Å; S1089-R1237 PolarHBondContact O-NH2 2.84Å
1090L88Confident81.9Confident1 Ų147.6 Ų47.61%0.00525%0.247CC..Hα-helixtrans-58.4-31.5-178.3-73.4163.6000113.9L1058 I1060 L1086 N1087 W1231 I1233 I1239L1058-L1090 HydrophobicContact CB-CD2 4.37Å; L1058-L1090 WeakPolarHBondContact O-CB 3.11Å; I1060-L1090 HydrophobicContact CD1-CD1 4.45Å; I1060-L1090 HydrophobicContact CG1-CD1 4.25Å; L1086-L1090 HydrophobicContact CG-CD1 4.09Å; L1086-L1090 WeakPolarHBondContact O-CB 3.49Å; L1086-L1090 VanDerWaalsContact O-CG 3.24Å; L1086-L1090 WeakPolarHBondContact O-CG 3.31Å; L1086-L1090 PolarHBondContact O-N 2.74Å; N1087-L1090 PolarHBondContact O-N 3.09Å; N1087-L1090 VanDerWaalsContact O-N 3.14Å; L1090-W1231 HydrophobicContact CD1-CH2 3.6Å; L1090-W1231 HydrophobicContact CD1-CZ3 3.64Å; L1090-W1231 HydrophobicContact CD2-CD2 4.23Å; L1090-W1231 HydrophobicContact CD2-CE3 3.91Å; L1090-W1231 HydrophobicContact CD2-CH2 3.77Å; L1090-W1231 HydrophobicContact CD2-CZ2 4.06Å; L1090-W1231 HydrophobicContact CD2-CZ3 3.69Å; L1090-W1231 HydrophobicContact CG-CH2 4.34Å; L1090-W1231 HydrophobicContact CG-CZ3 4.19Å; L1090-I1233 HydrophobicContact CD2-CD1 4.22Å; L1090-I1239 HydrophobicContact CD2-CD1 3.42Å; L1090-I1239 VanDerWaalsContact CD2-CD1 3.42Å; L1090-I1239 HydrophobicContact CG-CD1 3.67Å
1091E84.4Confident81.9Confident39 Ų3948 Ų4818%0.18225%0.246CC..Hα-helixtrans-88.1-12176.5-67-173.7165.500113.6R1059 N1087 S1089R1059-E1091 VanDerWaalsContact CD-OE1 3.32Å; R1059-E1091 WeakPolarHBondContact CD-OE1 3.45Å; R1059-E1091 IonicContact CZ-OE1 3.69Å; R1059-E1091 IonicContact NE-OE1 3.79Å; R1059-E1091 IonicContact NH1-OE1 2.65Å; R1059-E1091 PolarHBondContact NH1-OE1 3.31Å; N1087-E1091 PolarHBondContact O-N 3.43Å; S1089-E1091 PolarHBondContact O-N 2.82Å
1092A83.5Confident81.9Confident43 Ų4350.2 Ų50.236%0.35526%0.26SS..SBendtrans-72154.5177.800000112.3I1088 S1089 R1237I1088-A1092 WeakPolarHBondContact O-CB 3.45Å; I1088-A1092 PolarHBondContact O-N 2.93Å; S1089-A1092 VanDerWaalsContact O-CB 3.31Å; S1089-A1092 WeakPolarHBondContact O-CB 3.21Å; S1089-A1092 PolarHBondContact O-N 2.83Å; A1092-R1237 WeakPolarHBondContact O-CD 3.5Å
1093D85Confident82Confident82 Ų8248 Ų4844%0.43925%0.248SC..PPolyproline II helixtrans-70.7141.3-178-68.30.2000111.2K998 Y1055K998-D1093 WeakPolarHBondContact CD-OD1 3.34Å; K998-D1093 IonicContact NZ-OD1 3.08Å; K998-D1093 PolarHBondContact NZ-OD1 2.94Å; Y1055-D1093 HydrophobicContact CD2-CB 4.35Å; Y1055-D1093 HydrophobicContact CE2-CB 4.41Å
1094P86.8Confident81.7Confident15 Ų1554.1 Ų54.110%0.09728%0.281CS..PPolyproline II helixtrans-70.2143.417829.1-33.7000111.6Y1055 E1098 L1099 R1237Y1055-P1094 HydrophobicContact CD1-CG 3.46Å; Y1055-P1094 VanDerWaalsContact CD1-CG 3.46Å; Y1055-P1094 VanDerWaalsContact CD2-CD 3.49Å; Y1055-P1094 HydrophobicContact CD2-CG 4.07Å; Y1055-P1094 HydrophobicContact CE1-CG 3.51Å; Y1055-P1094 HydrophobicContact CE2-CG 4.13Å; Y1055-P1094 VanDerWaalsContact CG-CD 3.48Å; Y1055-P1094 HydrophobicContact CG-CG 3.75Å; P1094-E1098 WeakPolarHBondContact CA-OE2 3.48Å; P1094-E1098 HydrophobicContact CB-CB 4.49Å; P1094-L1099 HydrophobicContact CB-CD2 4.06Å; P1094-L1099 HydrophobicContact CB-CG 4.16Å; P1094-L1099 HydrophobicContact CG-CD1 4.29Å; P1094-L1099 HydrophobicContact CG-CD2 3.86Å; P1094-L1099 HydrophobicContact CG-CG 4.18Å; P1094-R1237 HydrophobicContact CB-CB 3.97Å
1095T82.6Confident81.4Confident64 Ų6455.4 Ų55.439%0.39329%0.292SS..PPolyproline II helixtrans-73.4156170.564.50000111.3Y1097 E1098 L1099T1095-Y1097 PolarHBondContact O-N 2.82Å; T1095-Y1097 VanDerWaalsContact O-N 3.1Å; T1095-E1098 WeakPolarHBondContact CB-OE2 3.28Å; T1095-E1098 PolarHBondContact N-OE2 3.39Å; T1095-E1098 PolarHBondContact O-N 2.99Å; T1095-E1098 VanDerWaalsContact OG1-CG 3.25Å; T1095-E1098 WeakPolarHBondContact OG1-CG 3.37Å; T1095-E1098 PolarHBondContact OG1-OE2 3.24Å; T1095-L1099 PolarHBondContact O-N 3.09Å
1096E77.4Confident81.2Confident165 Ų16555 Ų5577%0.77129%0.286SS*.THydrogen-bonded Turntrans-57.3-28.8178.5-68.1-168.4159.100113.6
1097Y78.6Confident79.9Confident144 Ų14458.9 Ų58.957%0.56531%0.311SS*.THydrogen-bonded Turntrans-73.3-32.1178.7-64.6-80.8000112.5T1095 R1119T1095-Y1097 PolarHBondContact O-N 2.82Å; T1095-Y1097 VanDerWaalsContact O-N 3.1Å; Y1097-R1119 VanDerWaalsContact O-CD 3.25Å; Y1097-R1119 WeakPolarHBondContact O-CD 3.24Å; Y1097-R1119 PolarHBondContact O-NH1 3.46Å
1098E82.7Confident78.5Confident2 Ų260 Ų601%0.00932%0.317CS..G310 helixtrans-72.9-30.6179.7-68.2170.7115.500112.3P1094 T1095 K1100 R1119 G1120 K1232 E1238P1094-E1098 WeakPolarHBondContact CA-OE2 3.48Å; P1094-E1098 HydrophobicContact CB-CB 4.49Å; T1095-E1098 WeakPolarHBondContact CB-OE2 3.28Å; T1095-E1098 PolarHBondContact N-OE2 3.39Å; T1095-E1098 PolarHBondContact O-N 2.99Å; T1095-E1098 VanDerWaalsContact OG1-CG 3.25Å; T1095-E1098 WeakPolarHBondContact OG1-CG 3.37Å; T1095-E1098 PolarHBondContact OG1-OE2 3.24Å; E1098-K1100 PolarHBondContact O-N 2.93Å; E1098-R1119 HydrophobicContact CG-CB 4.05Å; E1098-G1120 WeakPolarHBondContact OE1-CA 3.42Å; E1098-K1232 PolarHBondContact O-NZ 3.28Å; E1098-E1238 HydrophobicContact CG-CG 3.85Å; E1098-E1238 PolarHBondContact OE1-N 3.39Å; E1098-E1238 VanDerWaalsContact OE1-O 3.14Å
1099L81.6Confident77.1Confident57 Ų5761.8 Ų61.830%0.29832%0.32SS..G310 helixtrans-75.6-6.5179.4-65.8175.9000114.1Y1055 P1094 T1095 D1235Y1055-L1099 HydrophobicContact CE1-CD1 4.06Å; Y1055-L1099 HydrophobicContact CE1-CD2 4.28Å; P1094-L1099 HydrophobicContact CB-CD2 4.06Å; P1094-L1099 HydrophobicContact CB-CG 4.16Å; P1094-L1099 HydrophobicContact CG-CD1 4.29Å; P1094-L1099 HydrophobicContact CG-CD2 3.86Å; P1094-L1099 HydrophobicContact CG-CG 4.18Å; T1095-L1099 PolarHBondContact O-N 3.09Å; L1099-D1235 WeakPolarHBondContact CD2-O 3.23Å
1100K79.6Confident75.6Confident132 Ų13263.5 Ų63.557%0.57432%0.323SS*.G310 helixtrans-70.2-35.7-177-70.1-176.9-179.8178.70113.8E1098E1098-K1100 PolarHBondContact O-N 2.93Å
1101D74.6Confident73.7Confident44 Ų4468 Ų6824%0.23535%0.347CS..  trans-120.3137.4-172.7-57.9-41.6000110.9R1106 R1119 K1232D1101-R1106 HydrophobicContact CB-CB 4.28Å; D1101-R1106 HydrophobicContact CB-CG 4.42Å; D1101-R1119 IonicContact OD2-CZ 2.74Å; D1101-R1119 VanDerWaalsContact OD2-CZ 3.25Å; D1101-R1119 IonicContact OD2-NH1 2.66Å; D1101-R1119 PolarHBondContact OD2-NH1 3.49Å; D1101-R1119 IonicContact OD2-NH2 3Å; D1101-R1119 PolarHBondContact OD2-NH2 3.36Å; D1101-K1232 WeakPolarHBondContact O-CE 3.31Å; D1101-K1232 PolarHBondContact O-NZ 3.46Å
1102T81.6Confident71.9Confident51 Ų5172.1 Ų72.131%0.31337%0.366SS..  trans-87.6167.1170.765.80000110.8N1104 S1105 R1106 N1234T1102-N1104 VanDerWaalsContact C-N 3.26Å; T1102-N1104 PolarHBondContact O-N 3.4Å; T1102-S1105 PolarHBondContact N-OG 3.14Å; T1102-S1105 PolarHBondContact O-N 3.43Å; T1102-S1105 VanDerWaalsContact O-N 3.11Å; T1102-S1105 PolarHBondContact O-OG 2.87Å; T1102-S1105 VanDerWaalsContact OG1-CB 3.28Å; T1102-S1105 WeakPolarHBondContact OG1-CB 3.3Å; T1102-S1105 PolarHBondContact OG1-N 2.65Å; T1102-S1105 PolarHBondContact OG1-OG 3.14Å; T1102-R1106 PolarHBondContact O-N 3.4Å; T1102-N1234 VanDerWaalsContact CB-OD1 3.3Å; T1102-N1234 WeakPolarHBondContact CB-OD1 3.12Å
1103I79.7Confident70Confident11 Ų1173.9 Ų73.96%0.05637%0.374CS..G310 helixtrans-53.3-43.4178-63.7173.6000111.8A1160 M1162 K1232 N1234I1103-A1160 HydrophobicContact CD1-CB 4.03Å; I1103-A1160 HydrophobicContact CG2-CB 3.76Å; I1103-M1162 WeakPolarHBondContact O-CE 3.45Å; I1103-K1232 HydrophobicContact CG1-CB 4.28Å; I1103-K1232 HydrophobicContact CG1-CG 3.76Å; I1103-N1234 HydrophobicContact CD1-CB 3.83Å; I1103-N1234 HydrophobicContact CG1-CB 4.12Å; I1103-N1234 PolarHBondContact N-OD1 3.11Å
1104N77.5Confident68.2Low129 Ų12977.9 Ų77.969%0.6939%0.387SS*.G310 helixtrans-80.5-19.5-176.8-60.8-29.7000113.2T1102 R1202T1102-N1104 VanDerWaalsContact C-N 3.26Å; T1102-N1104 PolarHBondContact O-N 3.4Å; N1104-R1202 PolarHBondContact OD1-NH1 2.93Å; N1104-R1202 VanDerWaalsContact OD1-NH1 3.14Å
1105S72.4Confident66.3Low57 Ų5779 Ų7940%0.39940%0.396SS..G310 helixtrans-103.813.2-172.875.30000113.2T1102 P1107T1102-S1105 PolarHBondContact N-OG 3.14Å; T1102-S1105 PolarHBondContact O-N 3.43Å; T1102-S1105 VanDerWaalsContact O-N 3.11Å; T1102-S1105 PolarHBondContact O-OG 2.87Å; T1102-S1105 VanDerWaalsContact OG1-CB 3.28Å; T1102-S1105 WeakPolarHBondContact OG1-CB 3.3Å; T1102-S1105 PolarHBondContact OG1-N 2.65Å; T1102-S1105 PolarHBondContact OG1-OG 3.14Å; S1105-P1107 WeakPolarHBondContact O-CD 3.37Å
1106R70.8Confident64.9Low21 Ų2178.2 Ų78.28%0.07939%0.389CS..  trans-103.482-176.4-168.6-175.8-172.1112.5-9.5111.9D1101 T1102 M1162 L1167 L1230 E1238D1101-R1106 HydrophobicContact CB-CB 4.28Å; D1101-R1106 HydrophobicContact CB-CG 4.42Å; T1102-R1106 PolarHBondContact O-N 3.4Å; R1106-M1162 HydrophobicContact CB-CE 4.25Å; R1106-L1167 HydrophobicContact CG-CD2 4.12Å; R1106-L1167 VanDerWaalsContact O-CD2 3.29Å; R1106-L1167 WeakPolarHBondContact O-CD2 3.47Å; R1106-L1230 VanDerWaalsContact CD-CD2 3.5Å; R1106-L1230 VanDerWaalsContact CZ-CD2 3.4Å; R1106-E1238 IonicContact CZ-OE1 2.71Å; R1106-E1238 IonicContact CZ-OE2 3.42Å; R1106-E1238 VanDerWaalsContact NH1-CD 3.32Å; R1106-E1238 IonicContact NH1-OE1 3.85Å; R1106-E1238 IonicContact NH1-OE2 3.63Å; R1106-E1238 PolarHBondContact NH1-OE2 3.46Å; R1106-E1238 IonicContact NH2-OE1 3.03Å; R1106-E1238 PolarHBondContact NH2-OE1 3.13Å; R1106-E1238 IonicContact NH2-OE2 2.91Å; R1106-E1238 PolarHBondContact NH2-OE2 3.07Å
1107P59.7Low64Low83 Ų8375.5 Ų75.554%0.53938%0.38SS..PPolyproline II helixtrans-92.2149.1169.235.1-33.2000111.5S1105 L1169S1105-P1107 WeakPolarHBondContact O-CD 3.37Å; P1107-L1169 HydrophobicContact CB-CD1 4.36Å
1108L56.4Low63.2Low25 Ų2569.9 Ų69.913%0.13136%0.361CS..BIsolated β-bridgetrans-98.6128.5164.7-58.9172000109S1115 L1116 L1167L1108-S1115 VanDerWaalsContact CD2-C 3.45Å; L1108-S1115 WeakPolarHBondContact CD2-O 3.4Å; L1108-S1115 WeakPolarHBondContact CD2-OG 3.29Å; L1108-L1116 HydrophobicContact CD1-CD1 3.6Å; L1108-L1167 WeakPolarHBondContact CA-O 3.46Å; L1108-L1167 HydrophobicContact CB-CB 4.46Å; L1108-L1167 WeakPolarHBondContact CB-O 3.39Å; L1108-L1167 HydrophobicContact CD1-CB 3.4Å; L1108-L1167 VanDerWaalsContact CD1-CB 3.4Å; L1108-L1167 HydrophobicContact CD1-CD1 3.85Å; L1108-L1167 HydrophobicContact CD1-CG 4.18Å; L1108-L1167 HydrophobicContact CG-CB 3.71Å; L1108-L1167 HydrophobicContact CG-CD1 4.45Å; L1108-L1167 HydrophobicContact CG-CG 4.46Å; L1108-L1167 PolarHBondContact N-O 2.9Å
1109Y51.7Low62.7Low110 Ų11074.7 Ų74.743%0.43138%0.379SS..PPolyproline II helixtrans-87.3128167.3-166.7-104.9000108.9D1111 H1112 L1171Y1109-D1111 VanDerWaalsContact C-N 3.29Å; Y1109-D1111 HydrophobicContact CD1-CB 3.87Å; Y1109-D1111 HydrophobicContact CE1-CB 3.65Å; Y1109-D1111 WeakPolarHBondContact CE1-OD2 3.29Å; Y1109-D1111 PolarHBondContact O-N 3.04Å; Y1109-H1112 PolarHBondContact O-N 2.93Å; Y1109-L1171 HydrophobicContact CE2-CD2 4.38Å
1110R52.4Low62.4Low58 Ų5872.6 Ų72.622%0.21937%0.372CS..THydrogen-bonded Turntrans-55.4-39.1-175.1-167.6176.2-178.2-169.6-6.2113.4H1112 G1178R1110-H1112 PolarHBondContact O-N 3.28Å; R1110-H1112 VanDerWaalsContact O-N 3.17Å; R1110-G1178 PolarHBondContact NH2-O 2.9Å
1111D48.6Very low62.6Low97 Ų9768.4 Ų68.452%0.51936%0.358SS..THydrogen-bonded Turntrans-78.54.1-179.1-55.9-31.7000113.9Y1109 P1113Y1109-D1111 VanDerWaalsContact C-N 3.29Å; Y1109-D1111 HydrophobicContact CD1-CB 3.87Å; Y1109-D1111 HydrophobicContact CE1-CB 3.65Å; Y1109-D1111 WeakPolarHBondContact CE1-OD2 3.29Å; Y1109-D1111 PolarHBondContact O-N 3.04Å; D1111-P1113 VanDerWaalsContact O-CD 3.25Å; D1111-P1113 WeakPolarHBondContact O-CD 3.28Å
1112H45.9Very low63Low124 Ų12469.6 Ų69.657%0.57436%0.362SS*.  trans-109.676.9162.2-78.4-63.4000109.4Y1109 R1110 K1114 S1115Y1109-H1112 PolarHBondContact O-N 2.93Å; R1110-H1112 PolarHBondContact O-N 3.28Å; R1110-H1112 VanDerWaalsContact O-N 3.17Å; H1112-K1114 PolarHBondContact O-N 2.79Å; H1112-S1115 WeakPolarHBondContact O-CB 3.48Å; H1112-S1115 PolarHBondContact O-N 3.49Å; H1112-S1115 PolarHBondContact O-OG 2.78Å
1113P44.8Very low63.1Low80 Ų8068.4 Ų68.452%0.51935%0.353SS..G310 helixtrans-58.4-23.4174.320.8-30.8000112.3D1111 S1115D1111-P1113 VanDerWaalsContact O-CD 3.25Å; D1111-P1113 WeakPolarHBondContact O-CD 3.28Å; P1113-S1115 PolarHBondContact O-N 3.29Å; P1113-S1115 VanDerWaalsContact O-N 3.08Å
1114K47.5Very low63.2Low166 Ų16670 Ų7072%0.72236%0.361SS*.G310 helixtrans-682.1170.6-59-170.3178.6-172.50114.5H1112 D1117H1112-K1114 PolarHBondContact O-N 2.79Å; K1114-D1117 WeakPolarHBondContact O-CB 3.37Å; K1114-D1117 PolarHBondContact O-N 2.83Å
1115S46.9Very low63.6Low40 Ų4064 Ų6428%0.2833%0.329SS..G310 helixtrans-86-16.7-176.1640000113.7L1108 H1112 P1113 D1117L1108-S1115 VanDerWaalsContact CD2-C 3.45Å; L1108-S1115 WeakPolarHBondContact CD2-O 3.4Å; L1108-S1115 WeakPolarHBondContact CD2-OG 3.29Å; H1112-S1115 WeakPolarHBondContact O-CB 3.48Å; H1112-S1115 PolarHBondContact O-N 3.49Å; H1112-S1115 PolarHBondContact O-OG 2.78Å; P1113-S1115 PolarHBondContact O-N 3.29Å; P1113-S1115 VanDerWaalsContact O-N 3.08Å; S1115-D1117 PolarHBondContact O-N 2.86Å
1116L51.6Low64.1Low46 Ų4663 Ų6324%0.24132%0.318CS..G310 helixtrans-80.10.9165.2-147.579.5000112.5L1108 C1118 L1167 P1228L1108-L1116 HydrophobicContact CD1-CD1 3.6Å; L1116-C1118 PolarHBondContact O-N 3.33Å; L1116-L1167 HydrophobicContact CD1-CD1 4.31Å; L1116-P1228 HydrophobicContact CD2-CB 3.88Å; L1116-P1228 HydrophobicContact CD2-CG 3.49Å; L1116-P1228 VanDerWaalsContact CD2-CG 3.49Å
1117D59.5Low64.6Low108 Ų10862.1 Ų62.158%0.57831%0.314SS*.  trans-63.994.9163.3-68.7-21000106.6K1114 S1115 R1119K1114-D1117 WeakPolarHBondContact O-CB 3.37Å; K1114-D1117 PolarHBondContact O-N 2.83Å; S1115-D1117 PolarHBondContact O-N 2.86Å; D1117-R1119 PolarHBondContact O-N 3.16Å
1118C61Low65.5Low27 Ų2758.3 Ų58.318%0.18229%0.29CS..  trans-56136.4169.6570000108.7L1116 G1120 L1230 K1240L1116-C1118 PolarHBondContact O-N 3.33Å; C1118-G1120 VanDerWaalsContact C-N 3.26Å; C1118-G1120 PolarHBondContact SG-O 2.76Å; C1118-L1230 HydrophobicContact CB-CD1 4.39Å; C1118-K1240 HydrophobicContact CB-CB 3.6Å; C1118-K1240 HydrophobicContact CB-CD 4.01Å; C1118-K1240 HydrophobicContact CB-CG 4.37Å; C1118-K1240 WeakPolarHBondContact SG-CB 3.27Å; C1118-K1240 VanDerWaalsContact SG-CD 3.55Å
1119R73Confident66.8Low103 Ų10357.7 Ų57.739%0.38929%0.288SS..SBendtrans-79.2-21.9176.8-59.4158.4179.9159.312.7110.7Y1097 E1098 D1101 D1117 E1238Y1097-R1119 VanDerWaalsContact O-CD 3.25Å; Y1097-R1119 WeakPolarHBondContact O-CD 3.24Å; Y1097-R1119 PolarHBondContact O-NH1 3.46Å; E1098-R1119 HydrophobicContact CG-CB 4.05Å; D1101-R1119 IonicContact OD2-CZ 2.74Å; D1101-R1119 VanDerWaalsContact OD2-CZ 3.25Å; D1101-R1119 IonicContact OD2-NH1 2.66Å; D1101-R1119 PolarHBondContact OD2-NH1 3.49Å; D1101-R1119 IonicContact OD2-NH2 3Å; D1101-R1119 PolarHBondContact OD2-NH2 3.36Å; D1117-R1119 PolarHBondContact O-N 3.16Å; R1119-E1238 VanDerWaalsContact CB-OE1 3.27Å; R1119-E1238 WeakPolarHBondContact CB-OE1 3.34Å; R1119-E1238 PolarHBondContact N-OE1 3.01Å
1120G76.2Confident68.3Low13 Ų1353.5 Ų53.513%0.13427%0.274CS..SBendtrans-93.8-177.6172.300000113.6E1098 C1118 E1238E1098-G1120 WeakPolarHBondContact OE1-CA 3.42Å; C1118-G1120 VanDerWaalsContact C-N 3.26Å; C1118-G1120 PolarHBondContact SG-O 2.76Å; G1120-E1238 WeakPolarHBondContact CA-O 3.49Å
1121P83.3Confident69.7Low44 Ų4451.6 Ų51.629%0.28627%0.269SS..  trans-69.9156.4-177.329.7-35.8000112.9F1123 K1240P1121-F1123 HydrophobicContact CB-CD2 4.45Å; P1121-F1123 HydrophobicContact CB-CE2 3.83Å; P1121-F1123 HydrophobicContact CG-CE2 3.84Å; P1121-K1240 PolarHBondContact O-N 2.77Å
1122E82.4Confident71.2Confident69 Ų6949.2 Ų49.232%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-113.1128.2-178.8-173.8174.2-149.500109.9K1240 N1242 R1425E1122-K1240 CarbonylContact C-O 3.6Å; E1122-K1240 WeakPolarHBondContact CA-O 3.2Å; E1122-K1240 HydrophobicContact CB-CB 4.37Å; E1122-K1240 HydrophobicContact CG-CB 4.22Å; E1122-K1240 HydrophobicContact CG-CD 4.01Å; E1122-K1240 HydrophobicContact CG-CG 4.2Å; E1122-K1240 WeakPolarHBondContact OE1-CD 3.42Å; E1122-K1240 WeakPolarHBondContact OE1-CE 3.41Å; E1122-K1240 IonicContact OE1-NZ 2.63Å; E1122-K1240 PolarHBondContact OE1-NZ 2.84Å; E1122-N1242 WeakPolarHBondContact CG-ND2 3.45Å; E1122-N1242 PolarHBondContact OE1-ND2 2.82Å; E1122-N1242 PolarHBondContact OE1-OD1 3.32Å; E1122-R1425 IonicContact OE1-CZ 2.75Å; E1122-R1425 IonicContact OE1-NH2 2.68Å; E1122-R1425 PolarHBondContact OE1-NH2 3.37Å; E1122-R1425 IonicContact OE2-CZ 2.86Å; E1122-R1425 VanDerWaalsContact OE2-CZ 3.26Å; E1122-R1425 IonicContact OE2-NE 2.63Å; E1122-R1425 PolarHBondContact OE2-NE 2.8Å; E1122-R1425 IonicContact OE2-NH2 2.85Å; E1122-R1425 PolarHBondContact OE2-NH2 3.29Å
1123F83.8Confident72Confident26 Ų2645 Ų4511%0.11424%0.242CC..EExtended strand (participates in β ladder)trans-122.9132.9179.3-72-94.7000110L1086 S1089 P1121 I1239 K1240 L1241 N1242L1086-F1123 HydrophobicContact CB-CD1 4.36Å; L1086-F1123 HydrophobicContact CB-CE1 4.18Å; L1086-F1123 HydrophobicContact CB-CZ 4.47Å; L1086-F1123 HydrophobicContact CD1-CD1 4.39Å; L1086-F1123 HydrophobicContact CD1-CD2 3.84Å; L1086-F1123 HydrophobicContact CD1-CE2 3.97Å; L1086-F1123 HydrophobicContact CD1-CG 4.05Å; L1086-F1123 HydrophobicContact CD1-CZ 4.33Å; S1089-F1123 WeakPolarHBondContact OG-CZ 3.1Å; P1121-F1123 HydrophobicContact CB-CD2 4.45Å; P1121-F1123 HydrophobicContact CB-CE2 3.83Å; P1121-F1123 HydrophobicContact CG-CE2 3.84Å; F1123-I1239 HydrophobicContact CD2-CG2 3.47Å; F1123-I1239 VanDerWaalsContact CD2-CG2 3.47Å; F1123-I1239 HydrophobicContact CE2-CG2 3.98Å; F1123-K1240 PolarHBondContact N-O 2.72Å; F1123-L1241 HydrophobicContact CB-CD2 4.06Å; F1123-L1241 CarbonylContact O-C 3.58Å; F1123-L1241 WeakPolarHBondContact O-CA 3.24Å; F1123-N1242 PolarHBondContact O-N 2.66Å
1124D81.2Confident72.6Confident45 Ų4547.7 Ų47.724%0.24125%0.246CC..EExtended strand (participates in β ladder)trans-89.8109.7173.5-67-17.2000109.5N1242 I1244 R1425D1124-N1242 WeakPolarHBondContact OD1-CB 3.41Å; D1124-N1242 PolarHBondContact OD1-ND2 2.82Å; D1124-I1244 HydrophobicContact CB-CD1 3.88Å; D1124-R1425 IonicContact OD1-CZ 3.86Å; D1124-R1425 IonicContact OD1-NH1 3.8Å; D1124-R1425 PolarHBondContact OD1-NH1 3.22Å; D1124-R1425 IonicContact OD1-NH2 3.29Å; D1124-R1425 PolarHBondContact OD1-NH2 3.45Å; D1124-R1425 IonicContact OD2-CZ 2.8Å; D1124-R1425 IonicContact OD2-NH1 3.83Å; D1124-R1425 PolarHBondContact OD2-NH1 3.1Å
1125L86.3Confident72.8Confident1 Ų147.3 Ų47.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-97.799.8-180-158.784000110.1L1081 I1127 L1145 F1147 I1215 N1242 M1243 I1244L1081-L1125 HydrophobicContact CB-CD1 3.76Å; L1081-L1125 HydrophobicContact CD1-CD1 3.9Å; L1081-L1125 HydrophobicContact CD1-CG 4.3Å; L1081-L1125 HydrophobicContact CD2-CD1 3.67Å; L1081-L1125 HydrophobicContact CD2-CG 3.73Å; L1081-L1125 HydrophobicContact CG-CD1 3.96Å; L1081-L1125 HydrophobicContact CG-CG 4.46Å; L1125-I1127 PolarHBondContact O-N 3.17Å; L1125-L1145 HydrophobicContact CD2-CD2 4.11Å; L1125-F1147 HydrophobicContact CD1-CZ 3.99Å; L1125-F1147 HydrophobicContact CD2-CE2 4.1Å; L1125-F1147 HydrophobicContact CD2-CZ 3.85Å; L1125-F1147 HydrophobicContact CG-CZ 4.49Å; L1125-I1215 HydrophobicContact CD2-CD1 3.97Å; L1125-N1242 PolarHBondContact N-O 2.89Å; L1125-M1243 HydrophobicContact CB-SD 3.89Å; L1125-M1243 HydrophobicContact CD2-CE 3.47Å; L1125-M1243 VanDerWaalsContact CD2-CE 3.47Å; L1125-M1243 HydrophobicContact CD2-SD 3.63Å; L1125-M1243 HydrophobicContact CG-SD 4.39Å; L1125-I1244 PolarHBondContact O-N 3.19Å
1126F83Confident72.9Confident38 Ų3852.3 Ų52.317%0.16728%0.275CS..EExtended strand (participates in β ladder)trans-84.3102.3179.8179.6-106.8000112.2L1081 G1128 T1129 I1244 I1246 Q1256L1081-F1126 WeakPolarHBondContact CD2-O 3.44Å; F1126-G1128 WeakPolarHBondContact CZ-O 3.39Å; F1126-T1129 VanDerWaalsContact CZ-OG1 3.31Å; F1126-T1129 WeakPolarHBondContact CZ-OG1 3.37Å; F1126-I1244 CarbonylContact C-O 3.55Å; F1126-I1244 WeakPolarHBondContact CA-O 3.3Å; F1126-I1244 HydrophobicContact CD2-CB 4.16Å; F1126-I1244 HydrophobicContact CD2-CG2 3.93Å; F1126-I1244 VanDerWaalsContact CD2-O 3.3Å; F1126-I1244 WeakPolarHBondContact CD2-O 3.18Å; F1126-I1244 HydrophobicContact CE2-CG2 4.45Å; F1126-I1246 HydrophobicContact CE2-CD1 4.07Å; F1126-I1246 HydrophobicContact CE2-CG1 4.29Å; F1126-Q1256 VanDerWaalsContact CZ-NE2 3.3Å
1127I81.4Confident72.8Confident1 Ų156 Ų561%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-73.5-33.9-173.8-46.7171.3000111.7L1069 L1125 A1143 L1145 I1196 I1215 M1243 I1244L1069-I1127 WeakPolarHBondContact CD1-O 3.42Å; L1069-I1127 VanDerWaalsContact CD2-O 3.29Å; L1069-I1127 WeakPolarHBondContact CD2-O 3.18Å; L1125-I1127 PolarHBondContact O-N 3.17Å; I1127-A1143 HydrophobicContact CG2-CB 4Å; I1127-L1145 HydrophobicContact CG2-CB 4.46Å; I1127-I1196 HydrophobicContact CD1-CD1 4.36Å; I1127-I1196 HydrophobicContact CD1-CG1 4.25Å; I1127-I1196 HydrophobicContact CD1-CG2 4.25Å; I1127-I1215 HydrophobicContact CD1-CG2 4.01Å; I1127-I1215 HydrophobicContact CG1-CG2 4.43Å; I1127-M1243 HydrophobicContact CD1-CB 4.15Å; I1127-M1243 HydrophobicContact CD1-CE 3.74Å; I1127-M1243 HydrophobicContact CG1-CE 4Å; I1127-I1244 PolarHBondContact N-O 3.06Å
1128G78.9Confident72.3Confident3 Ų356.4 Ų56.43%0.03129%0.292CS..EExtended strand (participates in β ladder)trans155.9169.2177.800000116.1F1126 I1246F1126-G1128 WeakPolarHBondContact CZ-O 3.39Å; G1128-I1246 PolarHBondContact O-N 2.88Å
1129T83.2Confident71.8Confident13 Ų1361 Ų618%0.0832%0.315CS..EExtended strand (participates in β ladder)trans-121.2133.2170.6-60.60000109.4F1126 I1246 L1248 Y1254 Q1256 P1287F1126-T1129 VanDerWaalsContact CZ-OG1 3.31Å; F1126-T1129 WeakPolarHBondContact CZ-OG1 3.37Å; T1129-I1246 VanDerWaalsContact CA-O 3.3Å; T1129-I1246 WeakPolarHBondContact CA-O 3.12Å; T1129-I1246 HydrophobicContact CG2-CB 4.15Å; T1129-I1246 HydrophobicContact CG2-CG2 4.04Å; T1129-L1248 HydrophobicContact CG2-CD1 3.55Å; T1129-L1248 HydrophobicContact CG2-CD2 4.23Å; T1129-L1248 HydrophobicContact CG2-CG 3.66Å; T1129-Y1254 HydrophobicContact CG2-CD1 4.3Å; T1129-Y1254 HydrophobicContact CG2-CE1 4.25Å; T1129-Q1256 PolarHBondContact OG1-NE2 2.88Å; T1129-P1287 HydrophobicContact CG2-CB 4.06Å; T1129-P1287 HydrophobicContact CG2-CG 3.71Å
1130S83.5Confident71Confident22 Ų2259.7 Ų59.715%0.15432%0.316CS..EExtended strand (participates in β ladder)trans-151.6167.5172.3-164.20000110.2H1219 I1246 T1247 L1248S1130-H1219 WeakPolarHBondContact CB-CE1 3.48Å; S1130-H1219 WeakPolarHBondContact CB-ND1 3.43Å; S1130-H1219 WeakPolarHBondContact CB-NE2 3.41Å; S1130-H1219 PolarHBondContact N-CE1 2.88Å; S1130-H1219 PolarHBondContact N-ND1 3.03Å; S1130-I1246 PolarHBondContact N-O 2.9Å; S1130-T1247 CarbonylContact O-C 3.57Å; S1130-T1247 VanDerWaalsContact O-CA 3.3Å; S1130-T1247 WeakPolarHBondContact O-CA 3.34Å; S1130-L1248 PolarHBondContact O-N 2.9Å
1131V82.4Confident70.5Confident18 Ų1859.5 Ų59.511%0.10931%0.313CS..EExtended strand (participates in β ladder)trans-82.8152.3177.2-133.80000110A1133 L1248 L1289V1131-A1133 PolarHBondContact O-N 2.98Å; V1131-L1248 WeakPolarHBondContact CA-O 3.27Å; V1131-L1248 HydrophobicContact CG1-CB 4.35Å; V1131-L1248 WeakPolarHBondContact CG1-O 3.45Å; V1131-L1289 HydrophobicContact CB-CD1 4.46Å; V1131-L1289 HydrophobicContact CG1-CD1 4.12Å; V1131-L1289 HydrophobicContact CG1-CG 4.33Å; V1131-L1289 HydrophobicContact CG2-CD1 4.17Å; V1131-L1289 HydrophobicContact CG2-CD2 4.25Å; V1131-L1289 HydrophobicContact CG2-CG 3.86Å
1132I78.5Confident70.3Confident47 Ų4760.1 Ų60.124%0.24131%0.311CS..PPolyproline II helixtrans-58.3134.4176.1-158.8166.4000111.2K1134 N1220 T1247 L1248 L1250I1132-K1134 PolarHBondContact O-N 2.88Å; I1132-N1220 WeakPolarHBondContact CD1-O 3.18Å; I1132-T1247 HydrophobicContact CB-CG2 4.14Å; I1132-T1247 HydrophobicContact CG1-CG2 4.43Å; I1132-L1248 PolarHBondContact N-O 3.21Å; I1132-L1250 HydrophobicContact CG2-CD1 3.55Å; I1132-L1250 HydrophobicContact CG2-CG 4.04Å
1133A64.3Low70.5Confident35 Ų3556.8 Ų56.829%0.28930%0.295SS..PPolyproline II helixtrans-61.2133.3-177.500000111.9V1131 H1219V1131-A1133 PolarHBondContact O-N 2.98Å; A1133-H1219 PolarHBondContact N-O 2.83Å
1134K57.6Low70.7Confident137 Ų13757 Ų5760%0.59630%0.297SS*.PPolyproline II helixtrans-76.2153.4164.2-82.3-176.1177.6177.50109.9I1132 D1136 E1137 L1250I1132-K1134 PolarHBondContact O-N 2.88Å; K1134-D1136 PolarHBondContact O-N 2.85Å; K1134-D1136 VanDerWaalsContact O-N 3.12Å; K1134-E1137 PolarHBondContact O-N 2.74Å; K1134-L1250 HydrophobicContact CG-CD2 4.27Å
1135N50.3Low71.1Confident157 Ų15754.9 Ų54.984%0.8429%0.286SS*.THydrogen-bonded Turntrans-45.9120169.7-65-6.9000109.6
1136D49.4Very low71.2Confident146 Ų14655 Ų5578%0.78129%0.286SS*.THydrogen-bonded Turntrans88.5-7.1174.1-52.8-33.7000119.9K1134 I1138K1134-D1136 PolarHBondContact O-N 2.85Å; K1134-D1136 VanDerWaalsContact O-N 3.12Å; D1136-I1138 VanDerWaalsContact C-N 3.29Å; D1136-I1138 PolarHBondContact O-N 3.27Å; D1136-I1138 VanDerWaalsContact O-N 3.16Å
1137E50.3Low71.5Confident122 Ų12253.2 Ų53.257%0.5728%0.279SS*.  trans-90.656.9169.3-71.1-170.2-169.300112K1134 N1139K1134-E1137 PolarHBondContact O-N 2.74Å; E1137-N1139 PolarHBondContact O-N 2.94Å
1138I48Very low71.9Confident118 Ų11853.5 Ų53.561%0.60528%0.28SS*.THydrogen-bonded Turntrans-65.7-33.1-162.5-64.8166.8000114.2D1136D1136-I1138 VanDerWaalsContact C-N 3.29Å; D1136-I1138 PolarHBondContact O-N 3.27Å; D1136-I1138 VanDerWaalsContact O-N 3.16Å
1139N51.2Low72.5Confident122 Ų12253.4 Ų53.465%0.65228%0.279SS*.THydrogen-bonded Turntrans-97.7-28.3-171.2-120.410.8000114.4E1137 S1141E1137-N1139 PolarHBondContact O-N 2.94Å; N1139-S1141 VanDerWaalsContact C-N 3.34Å; N1139-S1141 PolarHBondContact O-N 2.79Å
1140N56Low72.8Confident76 Ų7653.8 Ų53.841%0.40628%0.28SS..THydrogen-bonded Turntrans-81.6-14.6-172.9-117.2-17.8000113.7K1626N1140-K1626 PolarHBondContact ND2-NZ 3.21Å; N1140-K1626 VanDerWaalsContact ND2-NZ 3.11Å
1141S65.1Low73.3Confident10 Ų1052.8 Ų52.87%0.0727%0.273CS..THydrogen-bonded Turntrans-81.1-19.5179.657.70000113N1139 H1219N1139-S1141 VanDerWaalsContact C-N 3.34Å; N1139-S1141 PolarHBondContact O-N 2.79Å; S1141-H1219 PolarHBondContact O-CD2 2.72Å
1142K80.1Confident73.4Confident56 Ų5653.9 Ų53.924%0.24328%0.281CS..SBendtrans-79.6138.2-175.9-59.6-177176.8-170.10111.6G1067 S1068 Y1217 N1218G1067-K1142 CarbonylContact C-O 3.57Å; G1067-K1142 WeakPolarHBondContact CA-O 3.46Å; S1068-K1142 PolarHBondContact N-O 2.95Å; K1142-Y1217 WeakPolarHBondContact CA-O 3.43Å; K1142-N1218 WeakPolarHBondContact CD-OD1 3.43Å; K1142-N1218 WeakPolarHBondContact CE-OD1 3.45Å; K1142-N1218 VanDerWaalsContact CG-OD1 3.32Å; K1142-N1218 WeakPolarHBondContact CG-OD1 3.31Å
1143A85.5Confident73.8Confident0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-88.3121.6166.600000108.6S1068 L1069 I1127 T1216 Y1217S1068-A1143 VanDerWaalsContact OG-CA 3.25Å; S1068-A1143 WeakPolarHBondContact OG-CA 3.11Å; S1068-A1143 WeakPolarHBondContact OG-CB 3.37Å; S1068-A1143 PolarHBondContact OG-N 3.19Å; L1069-A1143 HydrophobicContact CD1-CB 4.33Å; L1069-A1143 HydrophobicContact CG-CB 4.16Å; I1127-A1143 HydrophobicContact CG2-CB 4Å; A1143-T1216 WeakPolarHBondContact O-CA 3.26Å; A1143-Y1217 HydrophobicContact CB-CD1 4.49Å; A1143-Y1217 PolarHBondContact N-O 2.95Å; A1143-Y1217 PolarHBondContact O-N 3.42Å
1144L88.2Confident74.8Confident30 Ų3054.8 Ų54.816%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-117.4117.1179-69.5172.1000108.4G1065 S1066 M1214 T1216 I1459G1065-L1144 CarbonylContact C-O 3.59Å; G1065-L1144 WeakPolarHBondContact CA-O 3.49Å; S1066-L1144 PolarHBondContact N-O 3.25Å; S1066-L1144 PolarHBondContact O-N 3.01Å; S1066-L1144 WeakPolarHBondContact OG-CB 3.27Å; S1066-L1144 PolarHBondContact OG-O 3.31Å; L1144-M1214 HydrophobicContact CB-CE 4.18Å; L1144-M1214 HydrophobicContact CD2-CE 4.26Å; L1144-T1216 HydrophobicContact CD2-CG2 3.65Å; L1144-T1216 VanDerWaalsContact CD2-OG1 3.31Å; L1144-T1216 WeakPolarHBondContact CD2-OG1 3.48Å; L1144-I1459 HydrophobicContact CD1-CG2 3.72Å
1145L89.6Confident76.3Confident1 Ų149.5 Ų49.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-119125.5-178.1176.268.1000109I1063 H1064 L1069 L1077 L1081 L1125 I1127 F1147 I1215I1063-L1145 HydrophobicContact CD1-CD1 4.04Å; I1063-L1145 HydrophobicContact CG1-CD1 3.94Å; H1064-L1145 CarbonylContact O-C 3.53Å; H1064-L1145 WeakPolarHBondContact O-CA 3.46Å; L1069-L1145 HydrophobicContact CD1-CB 4.08Å; L1069-L1145 HydrophobicContact CD1-CD1 4.38Å; L1077-L1145 HydrophobicContact CD1-CD1 4.31Å; L1077-L1145 HydrophobicContact CD2-CD1 4.43Å; L1081-L1145 HydrophobicContact CD1-CD1 4.14Å; L1081-L1145 HydrophobicContact CD1-CD2 3.68Å; L1125-L1145 HydrophobicContact CD2-CD2 4.11Å; I1127-L1145 HydrophobicContact CG2-CB 4.46Å; L1145-F1147 HydrophobicContact CD1-CE1 3.96Å; L1145-F1147 HydrophobicContact CD2-CE1 3.68Å; L1145-F1147 HydrophobicContact CD2-CZ 3.76Å; L1145-F1147 HydrophobicContact CG-CD1 4.31Å; L1145-F1147 HydrophobicContact CG-CE1 3.73Å; L1145-F1147 HydrophobicContact CG-CZ 4.28Å; L1145-I1215 HydrophobicContact CB-CB 4.19Å; L1145-I1215 HydrophobicContact CD2-CD1 4.35Å; L1145-I1215 PolarHBondContact N-O 2.74Å; L1145-I1215 PolarHBondContact O-N 3Å
1146C88.7Confident78.2Confident2 Ų246.8 Ų46.81%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-114.3129-179.7-171.20000110.5I1063 H1064 I1213 M1214 I1455 I1459I1063-C1146 CarbonylContact C-O 3.55Å; I1063-C1146 WeakPolarHBondContact CA-O 3.32Å; H1064-C1146 HydrophobicContact CB-CB 4.07Å; H1064-C1146 PolarHBondContact N-O 2.88Å; H1064-C1146 PolarHBondContact O-N 2.83Å; C1146-I1213 CarbonylContact C-O 3.41Å; C1146-I1213 WeakPolarHBondContact CA-O 3.4Å; C1146-M1214 HydrophobicContact CB-CE 4.43Å; C1146-M1214 HydrophobicContact CB-SD 3.47Å; C1146-M1214 WeakPolarHBondContact CB-SD 3.36Å; C1146-I1455 HydrophobicContact CB-CD1 4.31Å; C1146-I1459 HydrophobicContact CB-CD1 4.35Å
1147F89.4Confident80.3Confident1 Ų139.9 Ų39.90%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-108.8139.1169.8-63.2-19.8000110.7I1060 I1063 L1081 I1083 L1125 L1145 V1149 E1212 I1213 I1215I1060-F1147 HydrophobicContact CD1-CD2 4.01Å; I1060-F1147 HydrophobicContact CD1-CE2 4.27Å; I1060-F1147 HydrophobicContact CD1-CG 4.34Å; I1060-F1147 HydrophobicContact CG2-CB 4.35Å; I1063-F1147 HydrophobicContact CD1-CD1 4.01Å; I1063-F1147 HydrophobicContact CD1-CE1 3.55Å; I1063-F1147 HydrophobicContact CG1-CD1 3.93Å; I1063-F1147 HydrophobicContact CG1-CE1 3.94Å; L1081-F1147 HydrophobicContact CD1-CE1 3.98Å; L1081-F1147 HydrophobicContact CD1-CZ 4.02Å; I1083-F1147 HydrophobicContact CD1-CE1 4.36Å; I1083-F1147 HydrophobicContact CD1-CZ 4.25Å; L1125-F1147 HydrophobicContact CD1-CZ 3.99Å; L1125-F1147 HydrophobicContact CD2-CE2 4.1Å; L1125-F1147 HydrophobicContact CD2-CZ 3.85Å; L1125-F1147 HydrophobicContact CG-CZ 4.49Å; L1145-F1147 HydrophobicContact CD1-CE1 3.96Å; L1145-F1147 HydrophobicContact CD2-CE1 3.68Å; L1145-F1147 HydrophobicContact CD2-CZ 3.76Å; L1145-F1147 HydrophobicContact CG-CD1 4.31Å; L1145-F1147 HydrophobicContact CG-CE1 3.73Å; L1145-F1147 HydrophobicContact CG-CZ 4.28Å; F1147-V1149 HydrophobicContact CB-CG2 4.31Å; F1147-E1212 CarbonylContact O-C 3.55Å; F1147-E1212 WeakPolarHBondContact O-CA 3.22Å; F1147-I1213 HydrophobicContact CB-CB 4.36Å; F1147-I1213 PolarHBondContact N-O 2.84Å; F1147-I1213 PolarHBondContact O-N 2.9Å; F1147-I1215 HydrophobicContact CD2-CD1 3.88Å; F1147-I1215 HydrophobicContact CE2-CD1 3.55Å; F1147-I1215 HydrophobicContact CZ-CD1 4.03Å
1148L89.4Confident82.3Confident8 Ų835.6 Ų35.64%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-100104166.6-171.969.4000109.7I1060 T1061 D1062 E1212 R1454 I1455I1060-L1148 CarbonylContact C-O 3.56Å; I1060-L1148 WeakPolarHBondContact CA-O 3.28Å; T1061-L1148 PolarHBondContact N-O 3.07Å; T1061-L1148 WeakPolarHBondContact OG1-CD2 3.33Å; T1061-L1148 PolarHBondContact OG1-O 2.99Å; D1062-L1148 HydrophobicContact CB-CB 3.84Å; D1062-L1148 HydrophobicContact CB-CD2 4Å; D1062-L1148 PolarHBondContact O-N 3.48Å; L1148-E1212 HydrophobicContact CD1-CG 3.65Å; L1148-R1454 HydrophobicContact CD2-CB 3.41Å; L1148-R1454 VanDerWaalsContact CD2-CB 3.41Å; L1148-I1455 HydrophobicContact CB-CG1 3.94Å
1149V91.7Very high84.6Confident0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-95.2119.1-178.3-179.10000109.5L1058 R1059 I1060 F1147 F1159 Y1210 S1211 I1213 W1231L1058-V1149 HydrophobicContact CB-CG1 4.05Å; L1058-V1149 HydrophobicContact CD1-CG1 4.06Å; L1058-V1149 HydrophobicContact CD2-CG1 4.01Å; L1058-V1149 HydrophobicContact CG-CG1 4.26Å; R1059-V1149 CarbonylContact O-C 3.54Å; I1060-V1149 HydrophobicContact CG1-CG2 4.36Å; F1147-V1149 HydrophobicContact CB-CG2 4.31Å; V1149-F1159 HydrophobicContact CB-CZ 4.42Å; V1149-F1159 HydrophobicContact CG1-CE1 4.28Å; V1149-F1159 HydrophobicContact CG1-CZ 4.01Å; V1149-Y1210 CarbonylContact O-C 3.54Å; V1149-Y1210 WeakPolarHBondContact O-CA 3.49Å; V1149-S1211 PolarHBondContact N-O 3.41Å; V1149-S1211 PolarHBondContact O-N 2.85Å; V1149-I1213 HydrophobicContact CB-CG1 4.44Å; V1149-I1213 HydrophobicContact CG2-CG1 3.73Å; V1149-W1231 HydrophobicContact CG1-CH2 4.45Å; V1149-W1231 HydrophobicContact CG1-CZ2 4.04Å; V1149-W1231 HydrophobicContact CG2-CH2 4.18Å; V1149-W1231 HydrophobicContact CG2-CZ2 4.2Å
1150E89.8Confident86.6Confident22 Ų2224.5 Ų24.510%0.10313%0.129CC..EExtended strand (participates in β ladder)trans-98.4139.7175.4-176.2178.4-15500110.5L1058 R1059 T1061 S1152 Y1210L1058-E1150 CarbonylContact C-O 3.49Å; L1058-E1150 WeakPolarHBondContact CA-O 3.48Å; R1059-E1150 IonicContact CZ-OE2 2.79Å; R1059-E1150 PolarHBondContact N-O 3.4Å; R1059-E1150 IonicContact NE-OE2 2.63Å; R1059-E1150 IonicContact NH2-OE2 2.75Å; R1059-E1150 PolarHBondContact NH2-OE2 2.92Å; R1059-E1150 PolarHBondContact O-N 3.09Å; T1061-E1150 HydrophobicContact CG2-CB 3.83Å; T1061-E1150 WeakPolarHBondContact CG2-OE2 3.2Å; E1150-S1152 PolarHBondContact O-N 3Å; E1150-Y1210 HydrophobicContact CB-CD1 3.54Å; E1150-Y1210 HydrophobicContact CB-CE1 3.84Å; E1150-Y1210 HydrophobicContact CG-CD1 3.59Å; E1150-Y1210 HydrophobicContact CG-CE1 3.42Å; E1150-Y1210 VanDerWaalsContact CG-CE1 3.42Å; E1150-Y1210 VanDerWaalsContact OE1-CE1 3.31Å; E1150-Y1210 WeakPolarHBondContact OE1-CE1 3.44Å; E1150-Y1210 PolarHBondContact OE1-OH 3.32Å
1151N93.5Very high88.3Confident1 Ų121 Ų211%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-76.3103.9162.1178.21.4000109.9T1057 L1058 S1153 I1155 V1157 L1205 K1206 G1208 E1209T1057-N1151 PolarHBondContact O-OD1 3Å; L1058-N1151 HydrophobicContact CD2-CB 4.42Å; N1151-S1153 VanDerWaalsContact C-N 3.32Å; N1151-S1153 WeakPolarHBondContact OD1-CB 3.14Å; N1151-S1153 PolarHBondContact OD1-N 3.46Å; N1151-S1153 PolarHBondContact OD1-OG 3.36Å; N1151-I1155 PolarHBondContact ND2-O 2.86Å; N1151-V1157 HydrophobicContact CB-CG2 4.46Å; N1151-V1157 VanDerWaalsContact CG-CG2 3.44Å; N1151-V1157 WeakPolarHBondContact ND2-CG2 2.92Å; N1151-V1157 WeakPolarHBondContact OD1-CG2 3.49Å; N1151-L1205 HydrophobicContact CB-CB 3.87Å; N1151-L1205 HydrophobicContact CB-CD1 4.45Å; N1151-L1205 PolarHBondContact ND2-O 3.24Å; N1151-K1206 WeakPolarHBondContact CB-O 3.42Å; N1151-K1206 PolarHBondContact ND2-O 3.45Å; N1151-G1208 PolarHBondContact O-N 3.1Å; N1151-G1208 VanDerWaalsContact O-N 3.1Å; N1151-E1209 PolarHBondContact N-O 2.72Å
1152S84.5Confident89.4Confident40 Ų4021.1 Ų21.128%0.2811%0.11SC..  trans-84.9-3.5179.759.20000113.6T1057 E1150T1057-S1152 WeakPolarHBondContact CB-OG 3.47Å; T1057-S1152 PolarHBondContact O-N 3.25Å; T1057-S1152 PolarHBondContact O-OG 2.85Å; T1057-S1152 PolarHBondContact OG1-OG 3.16Å; E1150-S1152 PolarHBondContact O-N 3Å
1153S86.8Confident89.8Confident8 Ų818.7 Ų18.76%0.05610%0.099CC..SBendtrans-93.8169.4-178.178.40000113.4Y1055 T1057 N1151 I1155 V1157 P1207Y1055-S1153 WeakPolarHBondContact O-CB 3.45Å; T1057-S1153 WeakPolarHBondContact OG1-CB 3.1Å; T1057-S1153 PolarHBondContact OG1-N 3.21Å; N1151-S1153 VanDerWaalsContact C-N 3.32Å; N1151-S1153 WeakPolarHBondContact OD1-CB 3.14Å; N1151-S1153 PolarHBondContact OD1-N 3.46Å; N1151-S1153 PolarHBondContact OD1-OG 3.36Å; S1153-I1155 VanDerWaalsContact C-N 3.32Å; S1153-I1155 PolarHBondContact OG-N 2.61Å; S1153-I1155 PolarHBondContact OG-O 3.08Å; S1153-I1155 VanDerWaalsContact OG-O 3.05Å; S1153-V1157 VanDerWaalsContact OG-CG2 3.25Å; S1153-V1157 WeakPolarHBondContact OG-CG2 3.23Å; S1153-P1207 WeakPolarHBondContact O-CB 3.28Å
1154L85.5Confident89.6Confident93 Ų9318.9 Ų18.949%0.48710%0.1SC..SBendtrans-88.82.2176.5-60.5175.2000113.5P928 E1052 V1054 P1207P928-L1154 HydrophobicContact CB-CB 3.95Å; P928-L1154 HydrophobicContact CG-CB 4.01Å; E1052-L1154 HydrophobicContact CG-CD1 3.58Å; V1054-L1154 HydrophobicContact CG1-CD1 4.26Å; V1054-L1154 HydrophobicContact CG2-CB 4.32Å; L1154-P1207 VanDerWaalsContact C-CG 3.41Å; L1154-P1207 WeakPolarHBondContact O-CG 3.43Å
1155I88.5Confident89.3Confident26 Ų2623 Ų2313%0.13312%0.119CC..SBendtrans-120.5163.1-18058.6171.4000110.6P928 L930 V1054 P1056 N1151 S1153P928-I1155 HydrophobicContact CB-CG2 4.02Å; L930-I1155 HydrophobicContact CB-CD1 4.15Å; L930-I1155 HydrophobicContact CD1-CD1 3.74Å; V1054-I1155 HydrophobicContact CG2-CB 4.43Å; V1054-I1155 HydrophobicContact CG2-CD1 4.23Å; V1054-I1155 HydrophobicContact CG2-CG1 4.04Å; V1054-I1155 HydrophobicContact CG2-CG2 3.69Å; P1056-I1155 HydrophobicContact CB-CD1 4.06Å; P1056-I1155 HydrophobicContact CB-CG1 4.43Å; P1056-I1155 HydrophobicContact CG-CD1 4.44Å; N1151-I1155 PolarHBondContact ND2-O 2.86Å; S1153-I1155 VanDerWaalsContact C-N 3.32Å; S1153-I1155 PolarHBondContact OG-N 2.61Å; S1153-I1155 PolarHBondContact OG-O 3.08Å; S1153-I1155 VanDerWaalsContact OG-O 3.05Å
1156E91.3Very high88.9Confident101 Ų10126.8 Ų26.847%0.47214%0.139SC..  trans-68134.9173.1-169.8174-11500109.8L1204 L1205E1156-L1204 HydrophobicContact CG-CD1 3.65Å; E1156-L1204 HydrophobicContact CG-CG 3.94Å; E1156-L1205 WeakPolarHBondContact CA-O 3.37Å
1157V92.5Very high88.3Confident1 Ų126.9 Ų26.91%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-115.8121.3-176.6179.90000109.7P1056 L1058 N1151 S1153 F1159 L1204 L1205 I1233P1056-V1157 HydrophobicContact CB-CB 4.34Å; P1056-V1157 HydrophobicContact CB-CG1 4.12Å; P1056-V1157 HydrophobicContact CB-CG2 3.61Å; L1058-V1157 HydrophobicContact CD1-CG1 4.28Å; L1058-V1157 HydrophobicContact CD2-CB 4.17Å; L1058-V1157 HydrophobicContact CD2-CG1 3.65Å; L1058-V1157 HydrophobicContact CG-CG1 3.95Å; N1151-V1157 HydrophobicContact CB-CG2 4.46Å; N1151-V1157 VanDerWaalsContact CG-CG2 3.44Å; N1151-V1157 WeakPolarHBondContact ND2-CG2 2.92Å; N1151-V1157 WeakPolarHBondContact OD1-CG2 3.49Å; S1153-V1157 VanDerWaalsContact OG-CG2 3.25Å; S1153-V1157 WeakPolarHBondContact OG-CG2 3.23Å; V1157-F1159 HydrophobicContact CG1-CD1 4.34Å; V1157-L1204 WeakPolarHBondContact O-CA 3.48Å; V1157-L1205 PolarHBondContact N-O 3.39Å; V1157-L1205 PolarHBondContact O-N 2.8Å; V1157-I1233 HydrophobicContact CG1-CG2 3.7Å
1158D94.1Very high87.6Confident31 Ų3130.7 Ų30.717%0.16615%0.154CC..EExtended strand (participates in β ladder)trans-105.3121.6170.8-171.60.8000108.8R1202 C1203 L1204 N1234D1158-R1202 IonicContact OD1-CZ 2.69Å; D1158-R1202 IonicContact OD1-NE 3.14Å; D1158-R1202 PolarHBondContact OD1-NE 2.99Å; D1158-R1202 IonicContact OD1-NH2 3.29Å; D1158-R1202 IonicContact OD2-CZ 2.85Å; D1158-R1202 IonicContact OD2-NE 3.65Å; D1158-R1202 PolarHBondContact OD2-NE 3.17Å; D1158-R1202 IonicContact OD2-NH2 3.95Å; D1158-R1202 PolarHBondContact OD2-NH2 3.24Å; D1158-C1203 WeakPolarHBondContact CA-O 3.22Å; D1158-L1204 HydrophobicContact CB-CD1 3.66Å; D1158-N1234 HydrophobicContact CB-CB 4.16Å; D1158-N1234 WeakPolarHBondContact O-CB 3.45Å; D1158-N1234 PolarHBondContact O-N 3.25Å
1159F94.6Very high86.7Confident0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-137152.1179.270.5-91.2000111.7L1058 V1149 V1157 F1161 R1202 C1203 L1205 I1213 W1231 K1232 I1233L1058-F1159 HydrophobicContact CD1-CB 3.89Å; L1058-F1159 HydrophobicContact CD1-CD1 3.46Å; L1058-F1159 VanDerWaalsContact CD1-CD1 3.46Å; L1058-F1159 HydrophobicContact CD1-CD2 4.17Å; L1058-F1159 HydrophobicContact CD1-CE1 3.92Å; L1058-F1159 HydrophobicContact CD1-CG 3.57Å; L1058-F1159 HydrophobicContact CD1-CZ 4.45Å; L1058-F1159 HydrophobicContact CD2-CD1 4.06Å; L1058-F1159 HydrophobicContact CD2-CE1 4.14Å; L1058-F1159 HydrophobicContact CG-CD1 4.39Å; V1149-F1159 HydrophobicContact CB-CZ 4.42Å; V1149-F1159 HydrophobicContact CG1-CE1 4.28Å; V1149-F1159 HydrophobicContact CG1-CZ 4.01Å; V1157-F1159 HydrophobicContact CG1-CD1 4.34Å; F1159-F1161 HydrophobicContact CD2-CE2 4.32Å; F1159-F1161 AromaticContact CE2-CE2 3.85Å; F1159-F1161 HydrophobicContact CE2-CE2 3.85Å; F1159-F1161 HydrophobicContact CE2-CZ 4.31Å; F1159-R1202 CarbonylContact O-C 3.54Å; F1159-R1202 VanDerWaalsContact O-CA 3.3Å; F1159-R1202 WeakPolarHBondContact O-CA 3.32Å; F1159-R1202 WeakPolarHBondContact O-CG 3.34Å; F1159-C1203 HydrophobicContact CD1-CB 4.33Å; F1159-C1203 HydrophobicContact CE1-CB 3.69Å; F1159-C1203 HydrophobicContact CE2-CB 4.13Å; F1159-C1203 HydrophobicContact CZ-CB 3.58Å; F1159-C1203 PolarHBondContact N-O 3Å; F1159-C1203 PolarHBondContact O-N 3.49Å; F1159-L1205 HydrophobicContact CE1-CD1 3.79Å; F1159-L1205 HydrophobicContact CE1-CG 4.21Å; F1159-L1205 HydrophobicContact CZ-CD1 4.49Å; F1159-I1213 HydrophobicContact CE2-CD1 4.2Å; F1159-I1213 HydrophobicContact CZ-CD1 4.22Å; F1159-W1231 AromaticContact CD2-CD1 3.97Å; F1159-W1231 AromaticContact CD2-NE1 3.18Å; F1159-W1231 AromaticContact CE2-NE1 3.85Å; F1159-W1231 AromaticContact CG-NE1 3.75Å; F1159-K1232 VanDerWaalsContact CA-O 3.31Å; F1159-K1232 WeakPolarHBondContact CA-O 3.33Å; F1159-I1233 HydrophobicContact CB-CG1 4.15Å
1160A93.5Very high85.3Confident7 Ų744 Ų446%0.05822%0.219CC..EExtended strand (participates in β ladder)trans-139.1149.1178.200000112.5I1103 R1201 R1202 K1232I1103-A1160 HydrophobicContact CD1-CB 4.03Å; I1103-A1160 HydrophobicContact CG2-CB 3.76Å; A1160-R1201 CarbonylContact C-O 3.56Å; A1160-R1201 VanDerWaalsContact CA-O 3.24Å; A1160-R1201 WeakPolarHBondContact CA-O 3.46Å; A1160-R1202 HydrophobicContact CB-CB 4.04Å; A1160-R1202 HydrophobicContact CB-CG 4.07Å; A1160-K1232 PolarHBondContact N-O 3.12Å; A1160-K1232 PolarHBondContact O-N 2.79Å
1161F92.6Very high84.2Confident2 Ų244.7 Ų44.71%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-95.5105.1166.9-63.9-77.3000108.2F1159 I1198 R1201 I1213 V1229 W1231 L1241F1159-F1161 HydrophobicContact CD2-CE2 4.32Å; F1159-F1161 AromaticContact CE2-CE2 3.85Å; F1159-F1161 HydrophobicContact CE2-CE2 3.85Å; F1159-F1161 HydrophobicContact CE2-CZ 4.31Å; F1161-I1198 HydrophobicContact CB-CD1 4.25Å; F1161-I1198 HydrophobicContact CB-CG2 4.3Å; F1161-I1198 HydrophobicContact CD1-CD1 4.25Å; F1161-I1198 HydrophobicContact CD2-CG2 3.66Å; F1161-I1198 HydrophobicContact CE2-CG2 4.09Å; F1161-I1198 HydrophobicContact CG-CD1 4.27Å; F1161-I1198 HydrophobicContact CG-CG2 3.93Å; F1161-R1201 PolarHBondContact N-O 3.04Å; F1161-I1213 HydrophobicContact CD2-CG2 4.36Å; F1161-I1213 HydrophobicContact CE2-CB 4.42Å; F1161-I1213 HydrophobicContact CE2-CD1 4.08Å; F1161-I1213 HydrophobicContact CE2-CG1 4.02Å; F1161-I1213 HydrophobicContact CE2-CG2 3.56Å; F1161-I1213 HydrophobicContact CZ-CG1 4.37Å; F1161-I1213 HydrophobicContact CZ-CG2 3.91Å; F1161-V1229 HydrophobicContact CB-CG1 3.91Å; F1161-V1229 HydrophobicContact CD1-CG1 4.3Å; F1161-W1231 HydrophobicContact CD1-CB 4.06Å; F1161-W1231 HydrophobicContact CD1-CD2 4.46Å; F1161-W1231 AromaticContact CD1-CG 3.99Å; F1161-W1231 HydrophobicContact CD1-CG 3.99Å; F1161-W1231 HydrophobicContact CE1-CB 4.03Å; F1161-W1231 AromaticContact CE1-CD1 3.87Å; F1161-W1231 AromaticContact CE1-CD2 3.6Å; F1161-W1231 HydrophobicContact CE1-CD2 3.6Å; F1161-W1231 AromaticContact CE1-CE2 3.9Å; F1161-W1231 HydrophobicContact CE1-CE3 4.08Å; F1161-W1231 AromaticContact CE1-CG 3.59Å; F1161-W1231 HydrophobicContact CE1-CG 3.59Å; F1161-W1231 HydrophobicContact CZ-CD2 4.03Å; F1161-W1231 AromaticContact CZ-CE2 3.83Å; F1161-W1231 HydrophobicContact CZ-CG 4.27Å; F1161-W1231 HydrophobicContact CZ-CZ2 4.19Å; F1161-W1231 AromaticContact CZ-NE1 3.97Å; F1161-L1241 HydrophobicContact CD1-CD1 4.47Å; F1161-L1241 HydrophobicContact CE1-CD1 4.08Å
1162M87.8Confident83.1Confident14 Ų1447.8 Ų47.87%0.06924%0.243CC..EExtended strand (participates in β ladder)trans-94116.4-178.7-50.9-177.875.600109.5I1103 R1106 D1166 L1167 L1230 K1232I1103-M1162 WeakPolarHBondContact O-CE 3.45Å; R1106-M1162 HydrophobicContact CB-CE 4.25Å; M1162-D1166 HydrophobicContact CB-CB 4.45Å; M1162-L1167 HydrophobicContact CB-CD1 4.34Å; M1162-L1167 HydrophobicContact CB-CD2 4.21Å; M1162-L1167 HydrophobicContact CB-CG 4.11Å; M1162-L1167 HydrophobicContact CE-CD2 3.37Å; M1162-L1167 HydrophobicContact CE-CG 4.28Å; M1162-L1167 HydrophobicContact SD-CD2 3.94Å; M1162-L1230 HydrophobicContact CB-CB 4.28Å; M1162-L1230 PolarHBondContact N-O 3.27Å; M1162-L1230 PolarHBondContact O-N 2.88Å; M1162-L1230 HydrophobicContact SD-CD2 4.17Å; M1162-K1232 HydrophobicContact SD-CB 4.12Å
1163F88.6Confident82.4Confident4 Ų452.6 Ų52.62%0.01827%0.266CS..  trans-77.1159.1174.4-76.7-115.6000109.9E1165 D1166 L1167 I1198 L1227 V1229F1163-E1165 PolarHBondContact O-N 3.11Å; F1163-D1166 PolarHBondContact N-OD2 3.2Å; F1163-D1166 WeakPolarHBondContact O-CB 3.4Å; F1163-D1166 PolarHBondContact O-N 2.9Å; F1163-L1167 PolarHBondContact O-N 2.77Å; F1163-I1198 HydrophobicContact CE2-CB 4.1Å; F1163-I1198 HydrophobicContact CE2-CD1 4.11Å; F1163-I1198 HydrophobicContact CE2-CG1 4.24Å; F1163-I1198 HydrophobicContact CZ-CB 4.04Å; F1163-I1198 HydrophobicContact CZ-CD1 4Å; F1163-I1198 HydrophobicContact CZ-CG1 3.86Å; F1163-L1227 HydrophobicContact CD1-CD2 3.79Å; F1163-L1227 HydrophobicContact CE1-CD2 3.76Å; F1163-V1229 HydrophobicContact CD1-CG2 4.39Å; F1163-V1229 HydrophobicContact CD2-CG1 4.43Å; F1163-V1229 HydrophobicContact CE1-CG2 4.3Å; F1163-V1229 HydrophobicContact CE2-CG1 4.4Å; F1163-V1229 HydrophobicContact CE2-CG2 4.5Å; F1163-V1229 HydrophobicContact CZ-CG2 4.34Å
1164P81.9Confident81.7Confident4 Ų463 Ų633%0.02630%0.304CS..Hα-helixtrans-50.3-39.6171.3-29.336.9000112.6L1167 R1168 E1191 L1227 P1228P1164-L1167 PolarHBondContact O-N 3.4Å; P1164-R1168 WeakPolarHBondContact O-CG 3.41Å; P1164-R1168 PolarHBondContact O-N 2.78Å; P1164-R1168 VanDerWaalsContact O-N 3.1Å; P1164-E1191 VanDerWaalsContact CD-OE1 3.28Å; P1164-E1191 WeakPolarHBondContact CD-OE1 3.36Å; P1164-L1227 HydrophobicContact CG-CD1 3.87Å; P1164-P1228 VanDerWaalsContact CD-O 3.31Å; P1164-P1228 WeakPolarHBondContact CD-O 3.36Å; P1164-P1228 HydrophobicContact CG-CG 4.24Å; P1164-P1228 WeakPolarHBondContact CG-O 3.4Å
1165E81.5Confident80.8Confident117 Ų11759.8 Ų59.855%0.54729%0.29SS..Hα-helixtrans-56.9-45.3172.2-170.9179.5-174.400113.7F1163 L1167 R1168 E1191F1163-E1165 PolarHBondContact O-N 3.11Å; E1165-L1167 PolarHBondContact O-N 2.78Å; E1165-R1168 PolarHBondContact O-N 3.34Å; E1165-E1191 PolarHBondContact N-OE1 2.86Å
1166D80.7Confident79.3Confident80 Ų8063.5 Ų63.543%0.42831%0.307SS..Hα-helixtrans-64.4-24-179.5-59.6-43.3000112.5M1162 F1163 R1201M1162-D1166 HydrophobicContact CB-CB 4.45Å; F1163-D1166 PolarHBondContact N-OD2 3.2Å; F1163-D1166 WeakPolarHBondContact O-CB 3.4Å; F1163-D1166 PolarHBondContact O-N 2.9Å; D1166-R1201 IonicContact OD1-NH1 3.09Å
1167L77.1Confident77.7Confident5 Ų563.8 Ų63.83%0.02632%0.321CS..Hα-helixtrans-95.2-18.2-176.8-68.9173.9000112.8R1106 L1108 L1116 M1162 F1163 P1164 E1165 L1169 L1230R1106-L1167 HydrophobicContact CG-CD2 4.12Å; R1106-L1167 VanDerWaalsContact O-CD2 3.29Å; R1106-L1167 WeakPolarHBondContact O-CD2 3.47Å; L1108-L1167 WeakPolarHBondContact CA-O 3.46Å; L1108-L1167 HydrophobicContact CB-CB 4.46Å; L1108-L1167 WeakPolarHBondContact CB-O 3.39Å; L1108-L1167 HydrophobicContact CD1-CB 3.4Å; L1108-L1167 VanDerWaalsContact CD1-CB 3.4Å; L1108-L1167 HydrophobicContact CD1-CD1 3.85Å; L1108-L1167 HydrophobicContact CD1-CG 4.18Å; L1108-L1167 HydrophobicContact CG-CB 3.71Å; L1108-L1167 HydrophobicContact CG-CD1 4.45Å; L1108-L1167 HydrophobicContact CG-CG 4.46Å; L1108-L1167 PolarHBondContact N-O 2.9Å; L1116-L1167 HydrophobicContact CD1-CD1 4.31Å; M1162-L1167 HydrophobicContact CB-CD1 4.34Å; M1162-L1167 HydrophobicContact CB-CD2 4.21Å; M1162-L1167 HydrophobicContact CB-CG 4.11Å; M1162-L1167 HydrophobicContact CE-CD2 3.37Å; M1162-L1167 HydrophobicContact CE-CG 4.28Å; M1162-L1167 HydrophobicContact SD-CD2 3.94Å; F1163-L1167 PolarHBondContact O-N 2.77Å; P1164-L1167 PolarHBondContact O-N 3.4Å; E1165-L1167 PolarHBondContact O-N 2.78Å; L1167-L1169 PolarHBondContact O-N 2.89Å; L1167-L1230 HydrophobicContact CD1-CB 4.39Å
1168R73.4Confident76.2Confident80 Ų8065.4 Ų65.430%0.30234%0.338SS..BIsolated β-bridgetrans-73.9122.2179-78.1173.6-158.41304.6110.4P1164 E1165 E1170 E1191P1164-R1168 WeakPolarHBondContact O-CG 3.41Å; P1164-R1168 PolarHBondContact O-N 2.78Å; P1164-R1168 VanDerWaalsContact O-N 3.1Å; E1165-R1168 PolarHBondContact O-N 3.34Å; R1168-E1170 PolarHBondContact O-N 2.86Å; R1168-E1191 IonicContact CZ-OE2 2.74Å; R1168-E1191 VanDerWaalsContact CZ-OE2 3.29Å; R1168-E1191 IonicContact NH1-OE2 2.73Å; R1168-E1191 PolarHBondContact NH1-OE2 2.81Å; R1168-E1191 IonicContact NH2-OE2 3.14Å; R1168-E1191 PolarHBondContact NH2-OE2 2.82Å
1169L70.4Confident75Confident97 Ų9772.8 Ų72.851%0.50837%0.371SS..  trans-77116.6169.4-166.682.8000109.8P1107 L1167 L1171P1107-L1169 HydrophobicContact CB-CD1 4.36Å; L1167-L1169 PolarHBondContact O-N 2.89Å; L1169-L1171 HydrophobicContact CD2-CD2 4.48Å; L1169-L1171 PolarHBondContact O-N 3.41Å; L1169-L1171 VanDerWaalsContact O-N 3.08Å
1170E63.7Low73.8Confident191 Ų19177.3 Ų77.389%0.89339%0.388SS*.  trans-61.3112.7172-76.2-165.7166.500110.2R1168R1168-E1170 PolarHBondContact O-N 2.86Å
1171L66Low72.9Confident36 Ų3682.6 Ų82.619%0.18841%0.412CS..  trans-87140.6175.4-73.3171000109.6Y1109 L1169 A1175 E1176Y1109-L1171 HydrophobicContact CE2-CD2 4.38Å; L1169-L1171 HydrophobicContact CD2-CD2 4.48Å; L1169-L1171 PolarHBondContact O-N 3.41Å; L1169-L1171 VanDerWaalsContact O-N 3.08Å; L1171-A1175 HydrophobicContact CB-CB 4.15Å; L1171-A1175 HydrophobicContact CD2-CB 4.18Å; L1171-E1176 HydrophobicContact CB-CG 4.35Å
1172P71.1Confident71.9Confident66 Ų6690.5 Ų90.543%0.42945%0.449SS..  trans-55.6144.2166.8-2232.3000110.6W1174 A1175P1172-W1174 HydrophobicContact CB-CG 4.39Å; P1172-W1174 VanDerWaalsContact CB-NE1 3.32Å; P1172-W1174 HydrophobicContact CG-CZ2 4.39Å; P1172-W1174 PolarHBondContact O-N 3.17Å; P1172-A1175 PolarHBondContact O-N 2.88Å
1173N68.9Low71.2Confident142 Ų14292.3 Ų92.376%0.75947%0.466SS*.THydrogen-bonded Turntrans-50.2-22.5-176.4-59.73.2000115.6
1174W71.1Confident70.6Confident226 Ų22694.3 Ų94.386%0.85648%0.475SS*.THydrogen-bonded Turntrans-79.8-18176.762.2-98.7000114P1172P1172-W1174 HydrophobicContact CB-CG 4.39Å; P1172-W1174 VanDerWaalsContact CB-NE1 3.32Å; P1172-W1174 HydrophobicContact CG-CZ2 4.39Å; P1172-W1174 PolarHBondContact O-N 3.17Å
1175A67.5Low70.5Confident25 Ų2598.4 Ų98.421%0.20750%0.497CS..THydrogen-bonded Turntrans-97.3-12.1178.200000112.7L1171 P1172 S1177L1171-A1175 HydrophobicContact CB-CB 4.15Å; L1171-A1175 HydrophobicContact CD2-CB 4.18Å; P1172-A1175 PolarHBondContact O-N 2.88Å; A1175-S1177 PolarHBondContact O-N 2.92Å; A1175-S1177 VanDerWaalsContact O-N 3.1Å
1176E56.8Low70.4Confident104 Ų10494.9 Ų94.949%0.48648%0.48SS..  trans-71.998.2172-74.9-168.4134.200110.9L1171L1171-E1176 HydrophobicContact CB-CG 4.35Å
1177S57Low70.6Confident108 Ų10892.4 Ų92.476%0.75547%0.466SS*.  trans-121.54.2176.957.80000114.6A1175A1175-S1177 PolarHBondContact O-N 2.92Å; A1175-S1177 VanDerWaalsContact O-N 3.1Å
1178G62.7Low70.8Confident35 Ų3593.7 Ų93.736%0.36147%0.473SS..PPolyproline II helixtrans-99.2141.3-174.800000115R1110R1110-G1178 PolarHBondContact NH2-O 2.9Å
1179H67.3Low71.3Confident186 Ų18693.5 Ų93.586%0.86148%0.475SS*.PPolyproline II helixtrans-77.4144157.4-64.4-56.8000109.3
1180Y70.3Confident71.9Confident95 Ų9588.9 Ų88.937%0.37345%0.451SS..PPolyproline II helixtrans-74.6137.4173.2-67.5-74.6000110.3E1184 L1185 L1188Y1180-E1184 WeakPolarHBondContact CA-OE2 3.36Å; Y1180-E1184 HydrophobicContact CD1-CB 4.14Å; Y1180-L1185 HydrophobicContact CD2-CD2 4.21Å; Y1180-L1185 HydrophobicContact CG-CD2 4.19Å; Y1180-L1188 HydrophobicContact CD1-CD1 3.72Å; Y1180-L1188 HydrophobicContact CD2-CD1 4.15Å; Y1180-L1188 HydrophobicContact CE1-CD1 3.65Å; Y1180-L1188 HydrophobicContact CE2-CD1 4.09Å; Y1180-L1188 HydrophobicContact CG-CD1 3.97Å
1181E74Confident72.9Confident117 Ų11780.8 Ų80.855%0.54741%0.413SS..PPolyproline II helixtrans-68.5159.8169.9-65.8-170.9170.700110.9A1183 E1184 L1185E1181-A1183 PolarHBondContact O-N 3.3Å; E1181-E1184 HydrophobicContact CB-CG 4.29Å; E1181-E1184 PolarHBondContact N-OE2 3.44Å; E1181-E1184 VanDerWaalsContact N-OE2 3.11Å; E1181-E1184 PolarHBondContact O-N 3.37Å; E1181-L1185 WeakPolarHBondContact O-CG 3.43Å; E1181-L1185 PolarHBondContact O-N 2.75Å
1182E71.9Confident73.8Confident169 Ų16985.2 Ų85.279%0.7944%0.437SS*.Hα-helixtrans-56.8-38179.9-72-174.5165.500112.4L1185 Q1186E1182-L1185 PolarHBondContact O-N 2.77Å; E1182-Q1186 PolarHBondContact O-N 2.89Å; E1182-Q1186 VanDerWaalsContact O-N 3.09Å
1183A73.7Confident74.4Confident51 Ų5186.3 Ų86.342%0.42144%0.436SS..Hα-helixtrans-66.5-39.7175.600000112.6E1181 Q1186 Q1187E1181-A1183 PolarHBondContact O-N 3.3Å; A1183-Q1186 PolarHBondContact O-N 3.41Å; A1183-Q1187 VanDerWaalsContact O-CG 3.29Å; A1183-Q1187 WeakPolarHBondContact O-CG 3.32Å; A1183-Q1187 PolarHBondContact O-N 2.85Å; A1183-Q1187 VanDerWaalsContact O-N 3.09Å
1184E76.5Confident75.2Confident46 Ų4683.1 Ų83.122%0.21543%0.425CS..Hα-helixtrans-68.4-40.3176.8-65.3-175.3137.700111.7Y1180 E1181 Q1186 Q1187 L1188Y1180-E1184 WeakPolarHBondContact CA-OE2 3.36Å; Y1180-E1184 HydrophobicContact CD1-CB 4.14Å; E1181-E1184 HydrophobicContact CB-CG 4.29Å; E1181-E1184 PolarHBondContact N-OE2 3.44Å; E1181-E1184 VanDerWaalsContact N-OE2 3.11Å; E1181-E1184 PolarHBondContact O-N 3.37Å; E1184-Q1186 VanDerWaalsContact C-N 3.27Å; E1184-Q1186 PolarHBondContact O-N 3.43Å; E1184-Q1187 PolarHBondContact O-N 3.47Å; E1184-L1188 WeakPolarHBondContact O-CG 3.34Å; E1184-L1188 PolarHBondContact O-N 3.43Å
1185L78.7Confident75.9Confident91 Ų9172.4 Ų72.448%0.47638%0.384SS..Hα-helixtrans-59.9-39.9174.7-74.3173.6000111.3Y1180 E1181 E1182 H1189Y1180-L1185 HydrophobicContact CD2-CD2 4.21Å; Y1180-L1185 HydrophobicContact CG-CD2 4.19Å; E1181-L1185 WeakPolarHBondContact O-CG 3.43Å; E1181-L1185 PolarHBondContact O-N 2.75Å; E1182-L1185 PolarHBondContact O-N 2.77Å; L1185-H1189 WeakPolarHBondContact O-CB 3.31Å; L1185-H1189 PolarHBondContact O-N 3.3Å
1186Q80.4Confident77.1Confident42 Ų4271.5 Ų71.520%0.19638%0.376CS..Hα-helixtrans-65.1-44.2175.3-171.9-179.748.900111.8E1182 A1183 E1184 H1189 I1190 C1224E1182-Q1186 PolarHBondContact O-N 2.89Å; E1182-Q1186 VanDerWaalsContact O-N 3.09Å; A1183-Q1186 PolarHBondContact O-N 3.41Å; E1184-Q1186 VanDerWaalsContact C-N 3.27Å; E1184-Q1186 PolarHBondContact O-N 3.43Å; Q1186-H1189 WeakPolarHBondContact O-CB 3.4Å; Q1186-H1189 PolarHBondContact O-N 2.9Å; Q1186-I1190 HydrophobicContact CG-CD1 4.08Å; Q1186-I1190 VanDerWaalsContact O-CG1 3.25Å; Q1186-I1190 WeakPolarHBondContact O-CG1 3.37Å; Q1186-I1190 PolarHBondContact O-N 2.79Å; Q1186-C1224 PolarHBondContact NE2-O 2.87Å
1187Q83.5Confident78.7Confident28 Ų2868.1 Ų68.113%0.13136%0.361CS..Hα-helixtrans-60.5-47.7177-67.6163.91800111.6A1183 E1184 H1189 I1190 E1191 L1227A1183-Q1187 VanDerWaalsContact O-CG 3.29Å; A1183-Q1187 WeakPolarHBondContact O-CG 3.32Å; A1183-Q1187 PolarHBondContact O-N 2.85Å; A1183-Q1187 VanDerWaalsContact O-N 3.09Å; E1184-Q1187 PolarHBondContact O-N 3.47Å; Q1187-H1189 VanDerWaalsContact C-N 3.25Å; Q1187-H1189 PolarHBondContact O-N 2.79Å; Q1187-I1190 PolarHBondContact O-N 3.47Å; Q1187-I1190 VanDerWaalsContact O-N 3.12Å; Q1187-E1191 WeakPolarHBondContact O-CG 3.46Å; Q1187-E1191 PolarHBondContact O-N 2.86Å; Q1187-L1227 HydrophobicContact CB-CD1 4.22Å; Q1187-L1227 HydrophobicContact CG-CD1 4.34Å
1188L81.7Confident80.4Confident33 Ų3363 Ų6317%0.17333%0.325CS..Hα-helixtrans-58.2-39.6174.5-75.3168.6000111.6Y1180 E1184 N1192Y1180-L1188 HydrophobicContact CD1-CD1 3.72Å; Y1180-L1188 HydrophobicContact CD2-CD1 4.15Å; Y1180-L1188 HydrophobicContact CE1-CD1 3.65Å; Y1180-L1188 HydrophobicContact CE2-CD1 4.09Å; Y1180-L1188 HydrophobicContact CG-CD1 3.97Å; E1184-L1188 WeakPolarHBondContact O-CG 3.34Å; E1184-L1188 PolarHBondContact O-N 3.43Å; L1188-N1192 WeakPolarHBondContact O-CB 3.43Å; L1188-N1192 PolarHBondContact O-N 2.93Å; L1188-N1192 PolarHBondContact O-ND2 2.87Å
1189H83.4Confident81.7Confident75 Ų7566.9 Ų66.935%0.34733%0.334SS..Hα-helixtrans-64.7-40.8177-165.169.7000111.9L1185 Q1186 Q1187 H1193 L1221L1185-H1189 WeakPolarHBondContact O-CB 3.31Å; L1185-H1189 PolarHBondContact O-N 3.3Å; Q1186-H1189 WeakPolarHBondContact O-CB 3.4Å; Q1186-H1189 PolarHBondContact O-N 2.9Å; Q1187-H1189 VanDerWaalsContact C-N 3.25Å; Q1187-H1189 PolarHBondContact O-N 2.79Å; H1189-H1193 AromaticContact CE1-CE1 3.14Å; H1189-H1193 PolarHBondContact CE1-CE1 2.77Å; H1189-H1193 AromaticContact CE1-ND1 3.6Å; H1189-H1193 AromaticContact CE1-NE2 3.96Å; H1189-H1193 AromaticContact CG-ND1 3.91Å; H1189-H1193 AromaticContact ND1-CE1 3.31Å; H1189-H1193 PolarHBondContact ND1-CE1 2.9Å; H1189-H1193 VanDerWaalsContact ND1-CE1 3.31Å; H1189-H1193 AromaticContact ND1-ND1 3.58Å; H1189-H1193 AromaticContact NE2-CE1 3.84Å; H1189-H1193 AromaticContact NE2-ND1 3.94Å; H1189-H1193 WeakPolarHBondContact O-CB 3.27Å; H1189-H1193 PolarHBondContact O-N 2.87Å; H1189-H1193 PolarHBondContact O-ND1 3.31Å; H1189-L1221 VanDerWaalsContact NE2-CD1 3.26Å; H1189-L1221 WeakPolarHBondContact NE2-CD1 3.31Å; H1189-L1221 WeakPolarHBondContact NE2-CD2 3.28Å
1190I84.1Confident82.9Confident0 Ų060.5 Ų60.50%031%0.309CS..Hα-helixtrans-66.4-48178.1-65.9164.5000111.2Q1186 Q1187 S1194 L1195 I1196 H1225 Q1226 L1227Q1186-I1190 HydrophobicContact CG-CD1 4.08Å; Q1186-I1190 VanDerWaalsContact O-CG1 3.25Å; Q1186-I1190 WeakPolarHBondContact O-CG1 3.37Å; Q1186-I1190 PolarHBondContact O-N 2.79Å; Q1187-I1190 PolarHBondContact O-N 3.47Å; Q1187-I1190 VanDerWaalsContact O-N 3.12Å; I1190-S1194 PolarHBondContact O-N 3.31Å; I1190-L1195 HydrophobicContact CG1-CD1 4.3Å; I1190-L1195 HydrophobicContact CG2-CB 3.97Å; I1190-L1195 PolarHBondContact O-N 3.49Å; I1190-I1196 HydrophobicContact CG2-CB 4.37Å; I1190-I1196 HydrophobicContact CG2-CD1 4.04Å; I1190-I1196 HydrophobicContact CG2-CG1 4.21Å; I1190-H1225 HydrophobicContact CD1-CB 3.74Å; I1190-H1225 HydrophobicContact CG1-CB 3.94Å; I1190-Q1226 VanDerWaalsContact CD1-O 3.28Å; I1190-Q1226 WeakPolarHBondContact CD1-O 3.17Å; I1190-L1227 HydrophobicContact CD1-CB 4.46Å; I1190-L1227 HydrophobicContact CG2-CB 4.18Å; I1190-L1227 HydrophobicContact CG2-CD1 4.35Å; I1190-L1227 HydrophobicContact CG2-CD2 4.1Å; I1190-L1227 HydrophobicContact CG2-CG 4.46Å
1191E84.8Confident83.9Confident21 Ų2160.7 Ų60.710%0.09831%0.309CS..Hα-helixtrans-65.3-47.6-179-70174.9137.800111.3P1164 E1165 R1168 Q1187 H1193 S1194 L1227P1164-E1191 VanDerWaalsContact CD-OE1 3.28Å; P1164-E1191 WeakPolarHBondContact CD-OE1 3.36Å; E1165-E1191 PolarHBondContact N-OE1 2.86Å; R1168-E1191 IonicContact CZ-OE2 2.74Å; R1168-E1191 VanDerWaalsContact CZ-OE2 3.29Å; R1168-E1191 IonicContact NH1-OE2 2.73Å; R1168-E1191 PolarHBondContact NH1-OE2 2.81Å; R1168-E1191 IonicContact NH2-OE2 3.14Å; R1168-E1191 PolarHBondContact NH2-OE2 2.82Å; Q1187-E1191 WeakPolarHBondContact O-CG 3.46Å; Q1187-E1191 PolarHBondContact O-N 2.86Å; E1191-H1193 VanDerWaalsContact C-N 3.26Å; E1191-H1193 PolarHBondContact O-N 2.86Å; E1191-S1194 WeakPolarHBondContact O-CA 3.29Å; E1191-S1194 PolarHBondContact O-N 3.18Å; E1191-L1227 HydrophobicContact CG-CD1 3.93Å; E1191-L1227 HydrophobicContact CG-CD2 4.44Å
1192N85.2Confident84.8Confident129 Ų12960.5 Ų60.569%0.6930%0.303SS*.Hα-helixtrans-62.3-30.8179.9-76.4-35.8000113.6L1188 S1194L1188-N1192 WeakPolarHBondContact O-CB 3.43Å; L1188-N1192 PolarHBondContact O-N 2.93Å; L1188-N1192 PolarHBondContact O-ND2 2.87Å; N1192-S1194 VanDerWaalsContact C-N 3.33Å
1193H83.2Confident85.8Confident90 Ų9053.4 Ų53.442%0.41727%0.273SS..THydrogen-bonded Turntrans-92.54.9175.6-65.688.2000112.7H1189 E1191 L1195H1189-H1193 AromaticContact CE1-CE1 3.14Å; H1189-H1193 PolarHBondContact CE1-CE1 2.77Å; H1189-H1193 AromaticContact CE1-ND1 3.6Å; H1189-H1193 AromaticContact CE1-NE2 3.96Å; H1189-H1193 AromaticContact CG-ND1 3.91Å; H1189-H1193 AromaticContact ND1-CE1 3.31Å; H1189-H1193 PolarHBondContact ND1-CE1 2.9Å; H1189-H1193 VanDerWaalsContact ND1-CE1 3.31Å; H1189-H1193 AromaticContact ND1-ND1 3.58Å; H1189-H1193 AromaticContact NE2-CE1 3.84Å; H1189-H1193 AromaticContact NE2-ND1 3.94Å; H1189-H1193 WeakPolarHBondContact O-CB 3.27Å; H1189-H1193 PolarHBondContact O-N 2.87Å; H1189-H1193 PolarHBondContact O-ND1 3.31Å; E1191-H1193 VanDerWaalsContact C-N 3.26Å; E1191-H1193 PolarHBondContact O-N 2.86Å; H1193-L1195 HydrophobicContact CB-CD1 4.38Å; H1193-L1195 HydrophobicContact CB-CD2 3.76Å; H1193-L1195 HydrophobicContact CB-CG 3.75Å; H1193-L1195 PolarHBondContact O-N 2.99Å; H1193-L1195 VanDerWaalsContact O-N 3.16Å
1194S85.5Confident86.9Confident75 Ų7555.4 Ų55.452%0.52428%0.276SS..THydrogen-bonded Turntrans46.643.7-176.4-53.40000112I1190 E1191 N1192 I1196 N1218I1190-S1194 PolarHBondContact O-N 3.31Å; E1191-S1194 WeakPolarHBondContact O-CA 3.29Å; E1191-S1194 PolarHBondContact O-N 3.18Å; N1192-S1194 VanDerWaalsContact C-N 3.33Å; S1194-I1196 VanDerWaalsContact C-N 3.33Å; S1194-N1218 PolarHBondContact O-ND2 2.77Å
1195L86.8Confident87.7Confident1 Ų153.6 Ų53.61%0.00527%0.267CS..  trans-71.1-33.7-176.3-58.7-178.5000111.1I1190 H1193 Y1217 N1218 N1220 L1221 H1225I1190-L1195 HydrophobicContact CG1-CD1 4.3Å; I1190-L1195 HydrophobicContact CG2-CB 3.97Å; I1190-L1195 PolarHBondContact O-N 3.49Å; H1193-L1195 HydrophobicContact CB-CD1 4.38Å; H1193-L1195 HydrophobicContact CB-CD2 3.76Å; H1193-L1195 HydrophobicContact CB-CG 3.75Å; H1193-L1195 PolarHBondContact O-N 2.99Å; H1193-L1195 VanDerWaalsContact O-N 3.16Å; L1195-Y1217 HydrophobicContact CB-CE2 4.38Å; L1195-Y1217 CarbonylContact O-C 3.59Å; L1195-Y1217 VanDerWaalsContact O-CA 3.24Å; L1195-Y1217 WeakPolarHBondContact O-CA 3.2Å; L1195-Y1217 VanDerWaalsContact O-CD2 3.28Å; L1195-Y1217 WeakPolarHBondContact O-CD2 3.39Å; L1195-N1218 PolarHBondContact O-N 3.3Å; L1195-N1220 HydrophobicContact CD2-CB 4.17Å; L1195-L1221 HydrophobicContact CD1-CB 4.33Å; L1195-L1221 HydrophobicContact CD2-CB 4.42Å; L1195-H1225 VanDerWaalsContact CD1-CE1 3.47Å; L1195-H1225 WeakPolarHBondContact CD1-CE1 3.28Å
1196I90.7Very high88.3Confident5 Ų554.6 Ų54.63%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-123.9131.7176.6-63166.3000108.8I1127 I1190 S1194 T1216 Y1217 L1227 M1243I1127-I1196 HydrophobicContact CD1-CD1 4.36Å; I1127-I1196 HydrophobicContact CD1-CG1 4.25Å; I1127-I1196 HydrophobicContact CD1-CG2 4.25Å; I1190-I1196 HydrophobicContact CG2-CB 4.37Å; I1190-I1196 HydrophobicContact CG2-CD1 4.04Å; I1190-I1196 HydrophobicContact CG2-CG1 4.21Å; S1194-I1196 VanDerWaalsContact C-N 3.33Å; I1196-T1216 VanDerWaalsContact CA-O 3.3Å; I1196-T1216 WeakPolarHBondContact CA-O 3.48Å; I1196-Y1217 HydrophobicContact CD1-CD2 4.21Å; I1196-Y1217 HydrophobicContact CD1-CE2 4.46Å; I1196-Y1217 HydrophobicContact CG1-CD2 3.5Å; I1196-Y1217 VanDerWaalsContact CG1-CD2 3.5Å; I1196-Y1217 HydrophobicContact CG1-CE2 4.11Å; I1196-Y1217 HydrophobicContact CG1-CG 4.47Å; I1196-L1227 HydrophobicContact CB-CD2 3.97Å; I1196-L1227 HydrophobicContact CD1-CB 3.74Å; I1196-L1227 HydrophobicContact CD1-CD2 4.44Å; I1196-L1227 HydrophobicContact CG2-CD2 4.18Å; I1196-M1243 HydrophobicContact CD1-CB 3.93Å; I1196-M1243 HydrophobicContact CG2-CB 4.24Å
1197D90.6Very high88.7Confident34 Ų3455.8 Ų55.818%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-140.4152.8173.6-170.439.1000111.6Q1199 R1201 I1215 T1216D1197-Q1199 WeakPolarHBondContact OD2-CG 3.45Å; D1197-Q1199 PolarHBondContact OD2-NE2 3.32Å; D1197-R1201 IonicContact OD1-CZ 3.96Å; D1197-R1201 IonicContact OD1-NE 2.74Å; D1197-R1201 IonicContact OD1-NH2 2.83Å; D1197-R1201 PolarHBondContact OD1-NH2 3.47Å; D1197-R1201 VanDerWaalsContact OD1-NH2 3.08Å; D1197-I1215 WeakPolarHBondContact O-CA 3.43Å; D1197-T1216 PolarHBondContact N-O 3.26Å; D1197-T1216 PolarHBondContact O-N 3Å
1198I92.7Very high88.7Confident0 Ų056.1 Ų56.10%029%0.29CS..EExtended strand (participates in β ladder)trans-132129-179.6-59.6173000109.6F1161 F1163 R1201 I1213 M1214 I1215 V1229 M1243F1161-I1198 HydrophobicContact CB-CD1 4.25Å; F1161-I1198 HydrophobicContact CB-CG2 4.3Å; F1161-I1198 HydrophobicContact CD1-CD1 4.25Å; F1161-I1198 HydrophobicContact CD2-CG2 3.66Å; F1161-I1198 HydrophobicContact CE2-CG2 4.09Å; F1161-I1198 HydrophobicContact CG-CD1 4.27Å; F1161-I1198 HydrophobicContact CG-CG2 3.93Å; F1163-I1198 HydrophobicContact CE2-CB 4.1Å; F1163-I1198 HydrophobicContact CE2-CD1 4.11Å; F1163-I1198 HydrophobicContact CE2-CG1 4.24Å; F1163-I1198 HydrophobicContact CZ-CB 4.04Å; F1163-I1198 HydrophobicContact CZ-CD1 4Å; F1163-I1198 HydrophobicContact CZ-CG1 3.86Å; I1198-R1201 WeakPolarHBondContact O-CG 3.2Å; I1198-I1213 HydrophobicContact CG2-CG2 3.6Å; I1198-M1214 CarbonylContact C-O 3.59Å; I1198-M1214 VanDerWaalsContact CA-O 3.28Å; I1198-M1214 WeakPolarHBondContact CA-O 3.19Å; I1198-I1215 HydrophobicContact CG1-CG1 4.2Å; I1198-I1215 HydrophobicContact CG1-CG2 4.34Å; I1198-I1215 HydrophobicContact CG2-CG1 4.47Å; I1198-V1229 HydrophobicContact CD1-CB 4.45Å; I1198-V1229 HydrophobicContact CD1-CG1 3.94Å; I1198-V1229 HydrophobicContact CD1-CG2 4.23Å; I1198-M1243 HydrophobicContact CD1-CE 4.41Å
1199Q90.4Very high89.1Confident117 Ų11758.5 Ų58.555%0.54730%0.3SS..EExtended strand (participates in β ladder)trans-136.5132.7-178.5-62.6-175.91.900112D1197 M1214D1197-Q1199 WeakPolarHBondContact OD2-CG 3.45Å; D1197-Q1199 PolarHBondContact OD2-NE2 3.32Å; Q1199-M1214 PolarHBondContact N-O 3.33Å; Q1199-M1214 PolarHBondContact O-N 3.21Å
1200P92.8Very high89.3Confident52 Ų5260.1 Ų60.134%0.33830%0.304SS..SBendcis-69.4150.3-12.130.9-35.8000111.9R1202 E1212 I1213P1200-R1202 VanDerWaalsContact C-N 3.35Å; P1200-E1212 WeakPolarHBondContact CD-O 2.82Å; P1200-I1213 HydrophobicContact CG-CD1 3.95Å
1201R91.2Very high89.6Confident98 Ų9860.9 Ų60.937%0.3731%0.31SS..SBendtrans-74.3-21.5176.3-69.1-169.4179.7-170.4-0.5114A1160 F1161 D1166 D1197 I1198A1160-R1201 CarbonylContact C-O 3.56Å; A1160-R1201 VanDerWaalsContact CA-O 3.24Å; A1160-R1201 WeakPolarHBondContact CA-O 3.46Å; F1161-R1201 PolarHBondContact N-O 3.04Å; D1166-R1201 IonicContact OD1-NH1 3.09Å; D1197-R1201 IonicContact OD1-CZ 3.96Å; D1197-R1201 IonicContact OD1-NE 2.74Å; D1197-R1201 IonicContact OD1-NH2 2.83Å; D1197-R1201 PolarHBondContact OD1-NH2 3.47Å; D1197-R1201 VanDerWaalsContact OD1-NH2 3.08Å; I1198-R1201 WeakPolarHBondContact O-CG 3.2Å
1202R94.1Very high89.8Confident113 Ų11361.7 Ų61.743%0.42631%0.313SS..EExtended strand (participates in β ladder)trans-143.3144177-177.6175.5-177.5168.10.2110.3N1104 D1158 F1159 A1160 P1200N1104-R1202 PolarHBondContact OD1-NH1 2.93Å; N1104-R1202 VanDerWaalsContact OD1-NH1 3.14Å; D1158-R1202 IonicContact OD1-CZ 2.69Å; D1158-R1202 IonicContact OD1-NE 3.14Å; D1158-R1202 PolarHBondContact OD1-NE 2.99Å; D1158-R1202 IonicContact OD1-NH2 3.29Å; D1158-R1202 IonicContact OD2-CZ 2.85Å; D1158-R1202 IonicContact OD2-NE 3.65Å; D1158-R1202 PolarHBondContact OD2-NE 3.17Å; D1158-R1202 IonicContact OD2-NH2 3.95Å; D1158-R1202 PolarHBondContact OD2-NH2 3.24Å; F1159-R1202 CarbonylContact O-C 3.54Å; F1159-R1202 VanDerWaalsContact O-CA 3.3Å; F1159-R1202 WeakPolarHBondContact O-CA 3.32Å; F1159-R1202 WeakPolarHBondContact O-CG 3.34Å; A1160-R1202 HydrophobicContact CB-CB 4.04Å; A1160-R1202 HydrophobicContact CB-CG 4.07Å; P1200-R1202 VanDerWaalsContact C-N 3.35Å
1203C92.8Very high90.1Very high21 Ų2155.5 Ų55.514%0.14228%0.281CS..EExtended strand (participates in β ladder)trans-144.8143.7-180-162.80000111.3D1158 F1159 S1211D1158-C1203 WeakPolarHBondContact CA-O 3.22Å; F1159-C1203 HydrophobicContact CD1-CB 4.33Å; F1159-C1203 HydrophobicContact CE1-CB 3.69Å; F1159-C1203 HydrophobicContact CE2-CB 4.13Å; F1159-C1203 HydrophobicContact CZ-CB 3.58Å; F1159-C1203 PolarHBondContact N-O 3Å; F1159-C1203 PolarHBondContact O-N 3.49Å; C1203-S1211 VanDerWaalsContact SG-CB 3.57Å; C1203-S1211 PolarHBondContact SG-OG 3.34Å; C1203-S1211 VanDerWaalsContact SG-OG 3.32Å
1204L95.8Very high90.5Very high93 Ų9353.2 Ų53.249%0.48727%0.27SS..EExtended strand (participates in β ladder)trans-116.8116.2173.8-176.672000107.8E1156 V1157 D1158E1156-L1204 HydrophobicContact CG-CD1 3.65Å; E1156-L1204 HydrophobicContact CG-CG 3.94Å; V1157-L1204 WeakPolarHBondContact O-CA 3.48Å; D1158-L1204 HydrophobicContact CB-CD1 3.66Å
1205L93.8Very high90.8Very high7 Ų749.6 Ų49.64%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-121.4130.5-174.9-66.9-178.8000111.5N1151 E1156 V1157 F1159 E1209N1151-L1205 HydrophobicContact CB-CB 3.87Å; N1151-L1205 HydrophobicContact CB-CD1 4.45Å; N1151-L1205 PolarHBondContact ND2-O 3.24Å; E1156-L1205 WeakPolarHBondContact CA-O 3.37Å; V1157-L1205 PolarHBondContact N-O 3.39Å; V1157-L1205 PolarHBondContact O-N 2.8Å; F1159-L1205 HydrophobicContact CE1-CD1 3.79Å; F1159-L1205 HydrophobicContact CE1-CG 4.21Å; F1159-L1205 HydrophobicContact CZ-CD1 4.49Å; L1205-E1209 HydrophobicContact CB-CB 4.36Å; L1205-E1209 HydrophobicContact CD2-CB 4.05Å
1206K91.4Very high90.9Very high113 Ų11350.7 Ų50.749%0.49125%0.252SS..  trans-76163.4169.5-62.5174.7-175.81670111.1N1151 G1208 E1209N1151-K1206 WeakPolarHBondContact CB-O 3.42Å; N1151-K1206 PolarHBondContact ND2-O 3.45Å; K1206-G1208 PolarHBondContact O-N 2.93Å; K1206-E1209 HydrophobicContact CB-CG 4.03Å; K1206-E1209 WeakPolarHBondContact CB-OE2 3.42Å; K1206-E1209 PolarHBondContact N-OE2 3.39Å; K1206-E1209 WeakPolarHBondContact O-CB 3.35Å; K1206-E1209 PolarHBondContact O-N 2.97Å
1207P87.9Confident91Very high66 Ų6650.5 Ų50.543%0.42925%0.251SS..THydrogen-bonded Turntrans-50124177-31.738.5000112.5S1153 L1154 E1209S1153-P1207 WeakPolarHBondContact O-CB 3.28Å; L1154-P1207 VanDerWaalsContact C-CG 3.41Å; L1154-P1207 WeakPolarHBondContact O-CG 3.43Å; P1207-E1209 VanDerWaalsContact C-N 3.3Å; P1207-E1209 PolarHBondContact O-N 3.31Å
1208G83.1Confident90.8Very high36 Ų3649.8 Ų49.837%0.37125%0.247SC..THydrogen-bonded Turntrans76.44-178.800000116.1N1151 K1206 Y1210N1151-G1208 PolarHBondContact O-N 3.1Å; N1151-G1208 VanDerWaalsContact O-N 3.1Å; K1206-G1208 PolarHBondContact O-N 2.93Å; G1208-Y1210 WeakPolarHBondContact O-CE2 3.1Å
1209E90.2Very high90.4Very high82 Ų8249.8 Ų49.838%0.38325%0.247SC..  trans-81.5158.7169.1-69.6-176.816200111.5N1151 L1205 K1206 P1207N1151-E1209 PolarHBondContact N-O 2.72Å; L1205-E1209 HydrophobicContact CB-CB 4.36Å; L1205-E1209 HydrophobicContact CD2-CB 4.05Å; K1206-E1209 HydrophobicContact CB-CG 4.03Å; K1206-E1209 WeakPolarHBondContact CB-OE2 3.42Å; K1206-E1209 PolarHBondContact N-OE2 3.39Å; K1206-E1209 WeakPolarHBondContact O-CB 3.35Å; K1206-E1209 PolarHBondContact O-N 2.97Å; P1207-E1209 VanDerWaalsContact C-N 3.3Å; P1207-E1209 PolarHBondContact O-N 3.31Å
1210Y87.8Confident89.9Confident109 Ų10948.4 Ų48.443%0.42724%0.243SC..EExtended strand (participates in β ladder)trans-129.7150-175.6-38.7-102.3000110.8V1149 E1150 G1208V1149-Y1210 CarbonylContact O-C 3.54Å; V1149-Y1210 WeakPolarHBondContact O-CA 3.49Å; E1150-Y1210 HydrophobicContact CB-CD1 3.54Å; E1150-Y1210 HydrophobicContact CB-CE1 3.84Å; E1150-Y1210 HydrophobicContact CG-CD1 3.59Å; E1150-Y1210 HydrophobicContact CG-CE1 3.42Å; E1150-Y1210 VanDerWaalsContact CG-CE1 3.42Å; E1150-Y1210 VanDerWaalsContact OE1-CE1 3.31Å; E1150-Y1210 WeakPolarHBondContact OE1-CE1 3.44Å; E1150-Y1210 PolarHBondContact OE1-OH 3.32Å; G1208-Y1210 WeakPolarHBondContact O-CE2 3.1Å
1211S91.5Very high89.5Confident16 Ų1648.3 Ų48.311%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-128138172-165.50000111.2V1149 C1203V1149-S1211 PolarHBondContact N-O 3.41Å; V1149-S1211 PolarHBondContact O-N 2.85Å; C1203-S1211 VanDerWaalsContact SG-CB 3.57Å; C1203-S1211 PolarHBondContact SG-OG 3.34Å; C1203-S1211 VanDerWaalsContact SG-OG 3.32Å
1212E89.3Confident89Confident38 Ų3846.4 Ų46.418%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-90.3113.4173-68.3179.4-169.300108.8F1147 L1148 P1200 K1456 I1457F1147-E1212 CarbonylContact O-C 3.55Å; F1147-E1212 WeakPolarHBondContact O-CA 3.22Å; L1148-E1212 HydrophobicContact CD1-CG 3.65Å; P1200-E1212 WeakPolarHBondContact CD-O 2.82Å; E1212-K1456 WeakPolarHBondContact OE1-CB 3.38Å; E1212-K1456 PolarHBondContact OE1-N 2.78Å; E1212-I1457 WeakPolarHBondContact OE2-CB 3.35Å; E1212-I1457 WeakPolarHBondContact OE2-CD1 3.46Å; E1212-I1457 WeakPolarHBondContact OE2-CG1 3.38Å; E1212-I1457 PolarHBondContact OE2-N 2.99Å
1213I91.7Very high88.5Confident0 Ų042.5 Ų42.50%024%0.236CC..EExtended strand (participates in β ladder)trans-101.6116.3179.7-52.5-54.8000108.9C1146 F1147 V1149 F1159 F1161 I1198 P1200 I1215C1146-I1213 CarbonylContact C-O 3.41Å; C1146-I1213 WeakPolarHBondContact CA-O 3.4Å; F1147-I1213 HydrophobicContact CB-CB 4.36Å; F1147-I1213 PolarHBondContact N-O 2.84Å; F1147-I1213 PolarHBondContact O-N 2.9Å; V1149-I1213 HydrophobicContact CB-CG1 4.44Å; V1149-I1213 HydrophobicContact CG2-CG1 3.73Å; F1159-I1213 HydrophobicContact CE2-CD1 4.2Å; F1159-I1213 HydrophobicContact CZ-CD1 4.22Å; F1161-I1213 HydrophobicContact CD2-CG2 4.36Å; F1161-I1213 HydrophobicContact CE2-CB 4.42Å; F1161-I1213 HydrophobicContact CE2-CD1 4.08Å; F1161-I1213 HydrophobicContact CE2-CG1 4.02Å; F1161-I1213 HydrophobicContact CE2-CG2 3.56Å; F1161-I1213 HydrophobicContact CZ-CG1 4.37Å; F1161-I1213 HydrophobicContact CZ-CG2 3.91Å; I1198-I1213 HydrophobicContact CG2-CG2 3.6Å; P1200-I1213 HydrophobicContact CG-CD1 3.95Å; I1213-I1215 HydrophobicContact CG2-CG1 4.38Å
1214M90.5Very high88Confident41 Ų4141.9 Ų41.920%0.20223%0.232CC..EExtended strand (participates in β ladder)trans-95.8120.5177.7-75.2-55.9-51.800111L1144 C1146 I1198 Q1199 I1459L1144-M1214 HydrophobicContact CB-CE 4.18Å; L1144-M1214 HydrophobicContact CD2-CE 4.26Å; C1146-M1214 HydrophobicContact CB-CE 4.43Å; C1146-M1214 HydrophobicContact CB-SD 3.47Å; C1146-M1214 WeakPolarHBondContact CB-SD 3.36Å; I1198-M1214 CarbonylContact C-O 3.59Å; I1198-M1214 VanDerWaalsContact CA-O 3.28Å; I1198-M1214 WeakPolarHBondContact CA-O 3.19Å; Q1199-M1214 PolarHBondContact N-O 3.33Å; Q1199-M1214 PolarHBondContact O-N 3.21Å; M1214-I1459 HydrophobicContact CE-CD1 3.43Å; M1214-I1459 VanDerWaalsContact CE-CD1 3.43Å; M1214-I1459 HydrophobicContact CE-CG1 4.39Å; M1214-I1459 HydrophobicContact SD-CD1 3.74Å
1215I91.6Very high87.6Confident0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-111119.9177-53.6-178.3000107.4L1125 I1127 L1145 F1147 D1197 I1198 I1213 M1243L1125-I1215 HydrophobicContact CD2-CD1 3.97Å; I1127-I1215 HydrophobicContact CD1-CG2 4.01Å; I1127-I1215 HydrophobicContact CG1-CG2 4.43Å; L1145-I1215 HydrophobicContact CB-CB 4.19Å; L1145-I1215 HydrophobicContact CD2-CD1 4.35Å; L1145-I1215 PolarHBondContact N-O 2.74Å; L1145-I1215 PolarHBondContact O-N 3Å; F1147-I1215 HydrophobicContact CD2-CD1 3.88Å; F1147-I1215 HydrophobicContact CE2-CD1 3.55Å; F1147-I1215 HydrophobicContact CZ-CD1 4.03Å; D1197-I1215 WeakPolarHBondContact O-CA 3.43Å; I1198-I1215 HydrophobicContact CG1-CG1 4.2Å; I1198-I1215 HydrophobicContact CG1-CG2 4.34Å; I1198-I1215 HydrophobicContact CG2-CG1 4.47Å; I1213-I1215 HydrophobicContact CG2-CG1 4.38Å; I1215-M1243 HydrophobicContact CB-CE 4.47Å; I1215-M1243 HydrophobicContact CD1-CE 3.94Å; I1215-M1243 HydrophobicContact CG2-CE 3.27Å
1216T89.6Confident87.3Confident24 Ų2438.9 Ų38.915%0.14722%0.216CC..EExtended strand (participates in β ladder)trans-115130.7-176.3-56.50000110A1143 L1144 I1196 D1197A1143-T1216 WeakPolarHBondContact O-CA 3.26Å; L1144-T1216 HydrophobicContact CD2-CG2 3.65Å; L1144-T1216 VanDerWaalsContact CD2-OG1 3.31Å; L1144-T1216 WeakPolarHBondContact CD2-OG1 3.48Å; I1196-T1216 VanDerWaalsContact CA-O 3.3Å; I1196-T1216 WeakPolarHBondContact CA-O 3.48Å; D1197-T1216 PolarHBondContact N-O 3.26Å; D1197-T1216 PolarHBondContact O-N 3Å
1217Y91.3Very high87.2Confident0 Ų033.5 Ų33.50%019%0.192CC..EExtended strand (participates in β ladder)trans-119.8119.5167.9177.3-117.8000111.4K1142 A1143 L1195 I1196 H1219 H1225 G1245 I1246 T1247K1142-Y1217 WeakPolarHBondContact CA-O 3.43Å; A1143-Y1217 HydrophobicContact CB-CD1 4.49Å; A1143-Y1217 PolarHBondContact N-O 2.95Å; A1143-Y1217 PolarHBondContact O-N 3.42Å; L1195-Y1217 HydrophobicContact CB-CE2 4.38Å; L1195-Y1217 CarbonylContact O-C 3.59Å; L1195-Y1217 VanDerWaalsContact O-CA 3.24Å; L1195-Y1217 WeakPolarHBondContact O-CA 3.2Å; L1195-Y1217 VanDerWaalsContact O-CD2 3.28Å; L1195-Y1217 WeakPolarHBondContact O-CD2 3.39Å; I1196-Y1217 HydrophobicContact CD1-CD2 4.21Å; I1196-Y1217 HydrophobicContact CD1-CE2 4.46Å; I1196-Y1217 HydrophobicContact CG1-CD2 3.5Å; I1196-Y1217 VanDerWaalsContact CG1-CD2 3.5Å; I1196-Y1217 HydrophobicContact CG1-CE2 4.11Å; I1196-Y1217 HydrophobicContact CG1-CG 4.47Å; Y1217-H1219 AromaticContact CD1-CD2 3.7Å; Y1217-H1219 AromaticContact CD1-CE1 3.43Å; Y1217-H1219 VanDerWaalsContact CD1-CE1 3.43Å; Y1217-H1219 WeakPolarHBondContact CD1-CE1 3.34Å; Y1217-H1219 AromaticContact CD1-ND1 3.89Å; Y1217-H1219 AromaticContact CD1-NE2 3.32Å; Y1217-H1219 VanDerWaalsContact CD1-NE2 3.32Å; Y1217-H1219 WeakPolarHBondContact CD1-NE2 3.33Å; Y1217-H1219 AromaticContact CE1-CD2 3.97Å; Y1217-H1219 AromaticContact CE1-CE1 3.19Å; Y1217-H1219 WeakPolarHBondContact CE1-CE1 3.5Å; Y1217-H1219 AromaticContact CE1-CG 3.89Å; Y1217-H1219 AromaticContact CE1-ND1 3.37Å; Y1217-H1219 WeakPolarHBondContact CE1-ND1 3.45Å; Y1217-H1219 AromaticContact CE1-NE2 3.61Å; Y1217-H1225 HydrophobicContact CE2-CB 4.04Å; Y1217-H1225 AromaticContact CE2-ND1 3.56Å; Y1217-H1225 AromaticContact CZ-ND1 3.54Å; Y1217-H1225 PolarHBondContact OH-ND1 2.93Å; Y1217-G1245 VanDerWaalsContact CZ-C 3.46Å; Y1217-G1245 PolarHBondContact OH-O 3.08Å; Y1217-I1246 PolarHBondContact OH-N 2.83Å; Y1217-T1247 PolarHBondContact OH-OG1 3.37Å
1218N87.3Confident87.2Confident19 Ų1930.8 Ų30.810%0.10218%0.175CC..  trans-93.9112-178.7-63.9-47.3000110.2K1142 S1194 L1195 N1220K1142-N1218 WeakPolarHBondContact CD-OD1 3.43Å; K1142-N1218 WeakPolarHBondContact CE-OD1 3.45Å; K1142-N1218 VanDerWaalsContact CG-OD1 3.32Å; K1142-N1218 WeakPolarHBondContact CG-OD1 3.31Å; S1194-N1218 PolarHBondContact O-ND2 2.77Å; L1195-N1218 PolarHBondContact O-N 3.3Å; N1218-N1220 PolarHBondContact O-N 3Å
1219H84.3Confident87.5Confident0 Ų029.1 Ų29.10%016%0.157CC..  trans-78.854.9179.1-68.3-94000112.7S1068 S1130 A1133 S1141 Y1217 I1246 T1247S1068-H1219 PolarHBondContact OG-NE2 2.83Å; S1130-H1219 WeakPolarHBondContact CB-CE1 3.48Å; S1130-H1219 WeakPolarHBondContact CB-ND1 3.43Å; S1130-H1219 WeakPolarHBondContact CB-NE2 3.41Å; S1130-H1219 PolarHBondContact N-CE1 2.88Å; S1130-H1219 PolarHBondContact N-ND1 3.03Å; A1133-H1219 PolarHBondContact N-O 2.83Å; S1141-H1219 PolarHBondContact O-CD2 2.72Å; Y1217-H1219 AromaticContact CD1-CD2 3.7Å; Y1217-H1219 AromaticContact CD1-CE1 3.43Å; Y1217-H1219 VanDerWaalsContact CD1-CE1 3.43Å; Y1217-H1219 WeakPolarHBondContact CD1-CE1 3.34Å; Y1217-H1219 AromaticContact CD1-ND1 3.89Å; Y1217-H1219 AromaticContact CD1-NE2 3.32Å; Y1217-H1219 VanDerWaalsContact CD1-NE2 3.32Å; Y1217-H1219 WeakPolarHBondContact CD1-NE2 3.33Å; Y1217-H1219 AromaticContact CE1-CD2 3.97Å; Y1217-H1219 AromaticContact CE1-CE1 3.19Å; Y1217-H1219 WeakPolarHBondContact CE1-CE1 3.5Å; Y1217-H1219 AromaticContact CE1-CG 3.89Å; Y1217-H1219 AromaticContact CE1-ND1 3.37Å; Y1217-H1219 WeakPolarHBondContact CE1-ND1 3.45Å; Y1217-H1219 AromaticContact CE1-NE2 3.61Å; H1219-I1246 PolarHBondContact CE1-O 2.81Å; H1219-I1246 PolarHBondContact ND1-O 3.3Å; H1219-T1247 WeakPolarHBondContact CA-OG1 3.36Å; H1219-T1247 HydrophobicContact CB-CG2 3.92Å; H1219-T1247 PolarHBondContact ND1-OG1 2.92Å
1220N80.8Confident87.4Confident88 Ų8825.8 Ų25.847%0.47114%0.142SC..  trans-92.8-23.8-174.6-70.3-10.1000113.6I1132 L1195 N1218I1132-N1220 WeakPolarHBondContact CD1-O 3.18Å; L1195-N1220 HydrophobicContact CD2-CB 4.17Å; N1218-N1220 PolarHBondContact O-N 3Å
1221L83.5Confident87.6Confident50 Ų5020.7 Ų20.726%0.26212%0.122SC..SBendtrans-127.5130.3-175.1-169.7123.2000108.8H1189 L1195 H1225 T1247H1189-L1221 VanDerWaalsContact NE2-CD1 3.26Å; H1189-L1221 WeakPolarHBondContact NE2-CD1 3.31Å; H1189-L1221 WeakPolarHBondContact NE2-CD2 3.28Å; L1195-L1221 HydrophobicContact CD1-CB 4.33Å; L1195-L1221 HydrophobicContact CD2-CB 4.42Å; L1221-H1225 WeakPolarHBondContact CD2-NE2 3.38Å; L1221-H1225 PolarHBondContact O-CE1 3.35Å; L1221-T1247 WeakPolarHBondContact O-CB 3.5Å; L1221-T1247 WeakPolarHBondContact O-CG2 3.5Å; L1221-T1247 PolarHBondContact O-OG1 2.81Å
1222S81.2Confident87.6Confident58 Ų5820 Ų2041%0.40612%0.117SC..  trans-73.2134.8179.2570000111.5T1247S1222-T1247 CarbonylContact C-O 3.55Å; S1222-T1247 WeakPolarHBondContact CA-O 3.44Å
1223G82.5Confident87.7Confident31 Ų3118.2 Ų18.232%0.3211%0.109SC..EExtended strand (participates in β ladder)trans149.4175.5-178.900000112.6T1247G1223-T1247 PolarHBondContact N-O 2.98Å; G1223-T1247 PolarHBondContact O-N 3.3Å
1224C83.8Confident87.6Confident8 Ų819.8 Ų19.85%0.05412%0.117CC..EExtended strand (participates in β ladder)trans-94.5125.4165.9-177.80000108.3Q1186 I1246 E1417 I1420Q1186-C1224 PolarHBondContact NE2-O 2.87Å; C1224-I1246 HydrophobicContact CB-CG1 4.32Å; C1224-E1417 HydrophobicContact CB-CG 4.14Å; C1224-I1420 HydrophobicContact CB-CD1 3.81Å
1225H86.7Confident87.5Confident6 Ų621.1 Ų21.13%0.02813%0.125CC..EExtended strand (participates in β ladder)trans-115.1126-177.7-57.4141.5000109.1I1190 L1195 Y1217 L1221 I1244 G1245I1190-H1225 HydrophobicContact CD1-CB 3.74Å; I1190-H1225 HydrophobicContact CG1-CB 3.94Å; L1195-H1225 VanDerWaalsContact CD1-CE1 3.47Å; L1195-H1225 WeakPolarHBondContact CD1-CE1 3.28Å; Y1217-H1225 HydrophobicContact CE2-CB 4.04Å; Y1217-H1225 AromaticContact CE2-ND1 3.56Å; Y1217-H1225 AromaticContact CZ-ND1 3.54Å; Y1217-H1225 PolarHBondContact OH-ND1 2.93Å; L1221-H1225 WeakPolarHBondContact CD2-NE2 3.38Å; L1221-H1225 PolarHBondContact O-CE1 3.35Å; H1225-I1244 WeakPolarHBondContact O-CA 3.34Å; H1225-G1245 PolarHBondContact N-O 2.87Å; H1225-G1245 PolarHBondContact O-N 2.91Å
1226Q86.6Confident87.2Confident32 Ų3221.1 Ų21.115%0.1513%0.125CC..EExtended strand (participates in β ladder)trans-126.1120.9175.6179.8173.9-19.200109.2I1190 N1242 M1243 I1244I1190-Q1226 VanDerWaalsContact CD1-O 3.28Å; I1190-Q1226 WeakPolarHBondContact CD1-O 3.17Å; Q1226-N1242 HydrophobicContact CG-CB 4.43Å; Q1226-M1243 CarbonylContact C-O 3.43Å; Q1226-M1243 WeakPolarHBondContact CA-O 3.27Å; Q1226-I1244 HydrophobicContact CB-CG1 4.43Å; Q1226-I1244 HydrophobicContact CG-CG1 4.1Å
1227L89.8Confident87.3Confident0 Ų020.7 Ų20.70%012%0.121CC..EExtended strand (participates in β ladder)trans-124111.7177.5-171.769.1000110.1F1163 P1164 Q1187 I1190 E1191 I1196 V1229 M1243F1163-L1227 HydrophobicContact CD1-CD2 3.79Å; F1163-L1227 HydrophobicContact CE1-CD2 3.76Å; P1164-L1227 HydrophobicContact CG-CD1 3.87Å; Q1187-L1227 HydrophobicContact CB-CD1 4.22Å; Q1187-L1227 HydrophobicContact CG-CD1 4.34Å; I1190-L1227 HydrophobicContact CD1-CB 4.46Å; I1190-L1227 HydrophobicContact CG2-CB 4.18Å; I1190-L1227 HydrophobicContact CG2-CD1 4.35Å; I1190-L1227 HydrophobicContact CG2-CD2 4.1Å; I1190-L1227 HydrophobicContact CG2-CG 4.46Å; E1191-L1227 HydrophobicContact CG-CD1 3.93Å; E1191-L1227 HydrophobicContact CG-CD2 4.44Å; I1196-L1227 HydrophobicContact CB-CD2 3.97Å; I1196-L1227 HydrophobicContact CD1-CB 3.74Å; I1196-L1227 HydrophobicContact CD1-CD2 4.44Å; I1196-L1227 HydrophobicContact CG2-CD2 4.18Å; L1227-V1229 HydrophobicContact CD2-CG2 4.33Å; L1227-V1229 HydrophobicContact CG-CG2 4.36Å; L1227-V1229 PolarHBondContact O-N 2.8Å; L1227-M1243 HydrophobicContact CB-CB 4.35Å; L1227-M1243 PolarHBondContact N-O 2.63Å; L1227-M1243 VanDerWaalsContact O-CB 3.24Å; L1227-M1243 WeakPolarHBondContact O-CB 3.43Å; L1227-M1243 WeakPolarHBondContact O-CG 3.08Å; L1227-M1243 PolarHBondContact O-N 2.89Å
1228P88.2Confident87.1Confident9 Ų920.7 Ų20.76%0.05812%0.121CC..EExtended strand (participates in β ladder)trans-75.8113.3175.829.2-31.6000110.3L1116 P1164 K1240 N1242L1116-P1228 HydrophobicContact CD2-CB 3.88Å; L1116-P1228 HydrophobicContact CD2-CG 3.49Å; L1116-P1228 VanDerWaalsContact CD2-CG 3.49Å; P1164-P1228 VanDerWaalsContact CD-O 3.31Å; P1164-P1228 WeakPolarHBondContact CD-O 3.36Å; P1164-P1228 HydrophobicContact CG-CG 4.24Å; P1164-P1228 WeakPolarHBondContact CG-O 3.4Å; P1228-K1240 HydrophobicContact CB-CG 4.48Å; P1228-N1242 WeakPolarHBondContact CB-OD1 3.16Å
1229V89.1Confident87.2Confident1 Ų119.9 Ų19.91%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-107.6130.8174.9178.30000109F1161 F1163 I1198 L1227 L1241 M1243F1161-V1229 HydrophobicContact CB-CG1 3.91Å; F1161-V1229 HydrophobicContact CD1-CG1 4.3Å; F1163-V1229 HydrophobicContact CD1-CG2 4.39Å; F1163-V1229 HydrophobicContact CD2-CG1 4.43Å; F1163-V1229 HydrophobicContact CE1-CG2 4.3Å; F1163-V1229 HydrophobicContact CE2-CG1 4.4Å; F1163-V1229 HydrophobicContact CE2-CG2 4.5Å; F1163-V1229 HydrophobicContact CZ-CG2 4.34Å; I1198-V1229 HydrophobicContact CD1-CB 4.45Å; I1198-V1229 HydrophobicContact CD1-CG1 3.94Å; I1198-V1229 HydrophobicContact CD1-CG2 4.23Å; L1227-V1229 HydrophobicContact CD2-CG2 4.33Å; L1227-V1229 HydrophobicContact CG-CG2 4.36Å; L1227-V1229 PolarHBondContact O-N 2.8Å; V1229-L1241 PolarHBondContact N-O 2.81Å; V1229-L1241 PolarHBondContact O-N 3.1Å; V1229-M1243 HydrophobicContact CB-CG 4.2Å; V1229-M1243 HydrophobicContact CG2-CG 3.72Å
1230L89Confident87.4Confident12 Ų1221.3 Ų21.36%0.06312%0.123CC..EExtended strand (participates in β ladder)trans-92.6115.9177.3-17778.1000110.3R1106 C1118 M1162 L1167 K1232 E1238R1106-L1230 VanDerWaalsContact CD-CD2 3.5Å; R1106-L1230 VanDerWaalsContact CZ-CD2 3.4Å; C1118-L1230 HydrophobicContact CB-CD1 4.39Å; M1162-L1230 HydrophobicContact CB-CB 4.28Å; M1162-L1230 PolarHBondContact N-O 3.27Å; M1162-L1230 PolarHBondContact O-N 2.88Å; M1162-L1230 HydrophobicContact SD-CD2 4.17Å; L1167-L1230 HydrophobicContact CD1-CB 4.39Å; L1230-K1232 HydrophobicContact CD2-CB 4.42Å; L1230-K1232 PolarHBondContact O-N 2.91Å; L1230-E1238 HydrophobicContact CD1-CB 4.12Å; L1230-E1238 HydrophobicContact CD1-CG 4.25Å
1231W92.1Very high87.8Confident1 Ų117.2 Ų17.20%0.00410%0.101CC..EExtended strand (participates in β ladder)trans-86.8102.5169.4-170.34.1000109.4L1058 I1060 L1086 L1090 V1149 F1159 F1161 E1238 I1239 L1241L1058-W1231 HydrophobicContact CD1-CZ2 3.75Å; I1060-W1231 HydrophobicContact CD1-CH2 4.27Å; I1060-W1231 HydrophobicContact CD1-CZ3 4.24Å; I1060-W1231 HydrophobicContact CG1-CH2 4.22Å; L1086-W1231 HydrophobicContact CD2-CZ3 4.42Å; L1090-W1231 HydrophobicContact CD1-CH2 3.6Å; L1090-W1231 HydrophobicContact CD1-CZ3 3.64Å; L1090-W1231 HydrophobicContact CD2-CD2 4.23Å; L1090-W1231 HydrophobicContact CD2-CE3 3.91Å; L1090-W1231 HydrophobicContact CD2-CH2 3.77Å; L1090-W1231 HydrophobicContact CD2-CZ2 4.06Å; L1090-W1231 HydrophobicContact CD2-CZ3 3.69Å; L1090-W1231 HydrophobicContact CG-CH2 4.34Å; L1090-W1231 HydrophobicContact CG-CZ3 4.19Å; V1149-W1231 HydrophobicContact CG1-CH2 4.45Å; V1149-W1231 HydrophobicContact CG1-CZ2 4.04Å; V1149-W1231 HydrophobicContact CG2-CH2 4.18Å; V1149-W1231 HydrophobicContact CG2-CZ2 4.2Å; F1159-W1231 AromaticContact CD2-CD1 3.97Å; F1159-W1231 AromaticContact CD2-NE1 3.18Å; F1159-W1231 AromaticContact CE2-NE1 3.85Å; F1159-W1231 AromaticContact CG-NE1 3.75Å; F1161-W1231 HydrophobicContact CD1-CB 4.06Å; F1161-W1231 HydrophobicContact CD1-CD2 4.46Å; F1161-W1231 AromaticContact CD1-CG 3.99Å; F1161-W1231 HydrophobicContact CD1-CG 3.99Å; F1161-W1231 HydrophobicContact CE1-CB 4.03Å; F1161-W1231 AromaticContact CE1-CD1 3.87Å; F1161-W1231 AromaticContact CE1-CD2 3.6Å; F1161-W1231 HydrophobicContact CE1-CD2 3.6Å; F1161-W1231 AromaticContact CE1-CE2 3.9Å; F1161-W1231 HydrophobicContact CE1-CE3 4.08Å; F1161-W1231 AromaticContact CE1-CG 3.59Å; F1161-W1231 HydrophobicContact CE1-CG 3.59Å; F1161-W1231 HydrophobicContact CZ-CD2 4.03Å; F1161-W1231 AromaticContact CZ-CE2 3.83Å; F1161-W1231 HydrophobicContact CZ-CG 4.27Å; F1161-W1231 HydrophobicContact CZ-CZ2 4.19Å; F1161-W1231 AromaticContact CZ-NE1 3.97Å; W1231-E1238 CarbonylContact O-C 3.51Å; W1231-E1238 WeakPolarHBondContact O-CA 3.46Å; W1231-I1239 HydrophobicContact CB-CB 4.41Å; W1231-I1239 PolarHBondContact N-O 3.15Å; W1231-I1239 PolarHBondContact O-N 3.49Å; W1231-L1241 HydrophobicContact CB-CD1 4.24Å; W1231-L1241 HydrophobicContact CB-CG 4.48Å; W1231-L1241 HydrophobicContact CE3-CD1 3.93Å
1232K90Very high88Confident1 Ų114.9 Ų14.90%0.0049%0.088CC..EExtended strand (participates in β ladder)trans-105.2123.6-179.4179.559.3-178.8163.20110.4E1098 D1101 I1103 F1159 A1160 M1162 L1230 G1236 E1238E1098-K1232 PolarHBondContact O-NZ 3.28Å; D1101-K1232 WeakPolarHBondContact O-CE 3.31Å; D1101-K1232 PolarHBondContact O-NZ 3.46Å; I1103-K1232 HydrophobicContact CG1-CB 4.28Å; I1103-K1232 HydrophobicContact CG1-CG 3.76Å; F1159-K1232 VanDerWaalsContact CA-O 3.31Å; F1159-K1232 WeakPolarHBondContact CA-O 3.33Å; A1160-K1232 PolarHBondContact N-O 3.12Å; A1160-K1232 PolarHBondContact O-N 2.79Å; M1162-K1232 HydrophobicContact SD-CB 4.12Å; L1230-K1232 HydrophobicContact CD2-CB 4.42Å; L1230-K1232 PolarHBondContact O-N 2.91Å; K1232-G1236 PolarHBondContact NZ-O 3.08Å; K1232-E1238 HydrophobicContact CD-CB 3.85Å
1233I92.3Very high88.4Confident1 Ų112.1 Ų12.11%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-94.1126.3168.7-54.4176.2000107.4P1056 L1058 L1090 V1157 F1159 D1235 G1236 R1237P1056-I1233 HydrophobicContact CB-CG2 3.88Å; P1056-I1233 HydrophobicContact CG-CG2 3.92Å; L1058-I1233 HydrophobicContact CB-CD1 4.37Å; L1058-I1233 HydrophobicContact CD1-CD1 3.78Å; L1058-I1233 HydrophobicContact CD1-CG1 3.94Å; L1058-I1233 HydrophobicContact CG-CD1 3.98Å; L1090-I1233 HydrophobicContact CD2-CD1 4.22Å; V1157-I1233 HydrophobicContact CG1-CG2 3.7Å; F1159-I1233 HydrophobicContact CB-CG1 4.15Å; I1233-D1235 PolarHBondContact O-N 2.92Å; I1233-G1236 CarbonylContact O-C 3.59Å; I1233-G1236 PolarHBondContact O-N 2.99Å; I1233-R1237 HydrophobicContact CD1-CG 4.25Å; I1233-R1237 PolarHBondContact N-O 3.48Å; I1233-R1237 VanDerWaalsContact N-O 3.09Å
1234N89.3Confident88.6Confident33 Ų3310.7 Ų10.718%0.1765%0.054CC..THydrogen-bonded Turntrans-66.1135.2178.2-157.459.7000110P1056 T1102 I1103 D1158 G1236P1056-N1234 VanDerWaalsContact CG-O 3.24Å; P1056-N1234 WeakPolarHBondContact CG-O 3.06Å; T1102-N1234 VanDerWaalsContact CB-OD1 3.3Å; T1102-N1234 WeakPolarHBondContact CB-OD1 3.12Å; I1103-N1234 HydrophobicContact CD1-CB 3.83Å; I1103-N1234 HydrophobicContact CG1-CB 4.12Å; I1103-N1234 PolarHBondContact N-OD1 3.11Å; D1158-N1234 HydrophobicContact CB-CB 4.16Å; D1158-N1234 WeakPolarHBondContact O-CB 3.45Å; D1158-N1234 PolarHBondContact O-N 3.25Å; N1234-G1236 PolarHBondContact O-N 3.43Å
1235D87.5Confident88.8Confident70 Ų7010.3 Ų10.337%0.3745%0.051SC..THydrogen-bonded Turntrans55.116.6-173.4-52-59.4000114.9L930 P1056 L1099 I1233L930-D1235 HydrophobicContact CD1-CB 3.98Å; L930-D1235 HydrophobicContact CD2-CB 3.44Å; L930-D1235 VanDerWaalsContact CD2-CB 3.44Å; L930-D1235 HydrophobicContact CG-CB 4.28Å; P1056-D1235 WeakPolarHBondContact CD-O 3.41Å; P1056-D1235 HydrophobicContact CG-CB 4.48Å; L1099-D1235 WeakPolarHBondContact CD2-O 3.23Å; I1233-D1235 PolarHBondContact O-N 2.92Å
1236G87.3Confident88.8Confident0 Ų010.3 Ų10.30%05%0.052CC..SBendtrans-131.7-160.6176.900000111.5K1232 I1233 N1234K1232-G1236 PolarHBondContact NZ-O 3.08Å; I1233-G1236 CarbonylContact O-C 3.59Å; I1233-G1236 PolarHBondContact O-N 2.99Å; N1234-G1236 PolarHBondContact O-N 3.43Å
1237R90.1Very high88.8Confident15 Ų158.9 Ų8.96%0.0575%0.045CC..  trans-78.3173.6-175.568.9-168.4-54-90.92.1113.4S1089 A1092 P1094 I1233S1089-R1237 WeakPolarHBondContact O-CD 3.38Å; S1089-R1237 PolarHBondContact O-NE 3.39Å; S1089-R1237 PolarHBondContact O-NH1 2.86Å; S1089-R1237 PolarHBondContact O-NH2 2.84Å; A1092-R1237 WeakPolarHBondContact O-CD 3.5Å; P1094-R1237 HydrophobicContact CB-CB 3.97Å; I1233-R1237 HydrophobicContact CD1-CG 4.25Å; I1233-R1237 PolarHBondContact N-O 3.48Å; I1233-R1237 VanDerWaalsContact N-O 3.09Å
1238E87.5Confident88.5Confident0 Ų09.1 Ų9.10%05%0.047CC..EExtended strand (participates in β ladder)trans-128.8147.7173.875.8-157.4-142.200110.8E1098 R1106 R1119 G1120 L1230 W1231 K1232E1098-E1238 HydrophobicContact CG-CG 3.85Å; E1098-E1238 PolarHBondContact OE1-N 3.39Å; E1098-E1238 VanDerWaalsContact OE1-O 3.14Å; R1106-E1238 IonicContact CZ-OE1 2.71Å; R1106-E1238 IonicContact CZ-OE2 3.42Å; R1106-E1238 VanDerWaalsContact NH1-CD 3.32Å; R1106-E1238 IonicContact NH1-OE1 3.85Å; R1106-E1238 IonicContact NH1-OE2 3.63Å; R1106-E1238 PolarHBondContact NH1-OE2 3.46Å; R1106-E1238 IonicContact NH2-OE1 3.03Å; R1106-E1238 PolarHBondContact NH2-OE1 3.13Å; R1106-E1238 IonicContact NH2-OE2 2.91Å; R1106-E1238 PolarHBondContact NH2-OE2 3.07Å; R1119-E1238 VanDerWaalsContact CB-OE1 3.27Å; R1119-E1238 WeakPolarHBondContact CB-OE1 3.34Å; R1119-E1238 PolarHBondContact N-OE1 3.01Å; G1120-E1238 WeakPolarHBondContact CA-O 3.49Å; L1230-E1238 HydrophobicContact CD1-CB 4.12Å; L1230-E1238 HydrophobicContact CD1-CG 4.25Å; W1231-E1238 CarbonylContact O-C 3.51Å; W1231-E1238 WeakPolarHBondContact O-CA 3.46Å; K1232-E1238 HydrophobicContact CD-CB 3.85Å
1239I89.4Confident88.1Confident1 Ų111 Ų111%0.0056%0.059CC..EExtended strand (participates in β ladder)trans-132.2133176.9-53.7-177.6000108.5L1086 L1090 F1123 W1231 L1241L1086-I1239 HydrophobicContact CD1-CD1 3.61Å; L1086-I1239 HydrophobicContact CD1-CG2 4.02Å; L1090-I1239 HydrophobicContact CD2-CD1 3.42Å; L1090-I1239 VanDerWaalsContact CD2-CD1 3.42Å; L1090-I1239 HydrophobicContact CG-CD1 3.67Å; F1123-I1239 HydrophobicContact CD2-CG2 3.47Å; F1123-I1239 VanDerWaalsContact CD2-CG2 3.47Å; F1123-I1239 HydrophobicContact CE2-CG2 3.98Å; W1231-I1239 HydrophobicContact CB-CB 4.41Å; W1231-I1239 PolarHBondContact N-O 3.15Å; W1231-I1239 PolarHBondContact O-N 3.49Å; I1239-L1241 HydrophobicContact CG2-CD2 3.81Å; I1239-L1241 HydrophobicContact CG2-CG 4.45Å
1240K88.3Confident87.5Confident31 Ų3113.7 Ų13.714%0.1357%0.073CC..EExtended strand (participates in β ladder)trans-90.6115.2170.5-174.6178.7175.4-160.60109.6C1118 P1121 E1122 F1123 P1228 N1242C1118-K1240 HydrophobicContact CB-CB 3.6Å; C1118-K1240 HydrophobicContact CB-CD 4.01Å; C1118-K1240 HydrophobicContact CB-CG 4.37Å; C1118-K1240 WeakPolarHBondContact SG-CB 3.27Å; C1118-K1240 VanDerWaalsContact SG-CD 3.55Å; P1121-K1240 PolarHBondContact O-N 2.77Å; E1122-K1240 CarbonylContact C-O 3.6Å; E1122-K1240 WeakPolarHBondContact CA-O 3.2Å; E1122-K1240 HydrophobicContact CB-CB 4.37Å; E1122-K1240 HydrophobicContact CG-CB 4.22Å; E1122-K1240 HydrophobicContact CG-CD 4.01Å; E1122-K1240 HydrophobicContact CG-CG 4.2Å; E1122-K1240 WeakPolarHBondContact OE1-CD 3.42Å; E1122-K1240 WeakPolarHBondContact OE1-CE 3.41Å; E1122-K1240 IonicContact OE1-NZ 2.63Å; E1122-K1240 PolarHBondContact OE1-NZ 2.84Å; F1123-K1240 PolarHBondContact N-O 2.72Å; P1228-K1240 HydrophobicContact CB-CG 4.48Å; K1240-N1242 WeakPolarHBondContact CE-OD1 3.11Å
1241L90.3Very high86.8Confident1 Ų119.6 Ų19.61%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-99.4107.6174.9-58.4-179.4000108.6L1086 F1123 F1161 V1229 W1231 I1239 M1243L1086-L1241 HydrophobicContact CD1-CD2 4.11Å; F1123-L1241 HydrophobicContact CB-CD2 4.06Å; F1123-L1241 CarbonylContact O-C 3.58Å; F1123-L1241 WeakPolarHBondContact O-CA 3.24Å; F1161-L1241 HydrophobicContact CD1-CD1 4.47Å; F1161-L1241 HydrophobicContact CE1-CD1 4.08Å; V1229-L1241 PolarHBondContact N-O 2.81Å; V1229-L1241 PolarHBondContact O-N 3.1Å; W1231-L1241 HydrophobicContact CB-CD1 4.24Å; W1231-L1241 HydrophobicContact CB-CG 4.48Å; W1231-L1241 HydrophobicContact CE3-CD1 3.93Å; I1239-L1241 HydrophobicContact CG2-CD2 3.81Å; I1239-L1241 HydrophobicContact CG2-CG 4.45Å; L1241-M1243 HydrophobicContact CB-SD 3.96Å; L1241-M1243 PolarHBondContact O-N 2.91Å
1242N87.3Confident86.2Confident1 Ų121.5 Ų21.51%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-81.5102171-63.2-46.9000109.3E1122 F1123 D1124 L1125 Q1226 P1228 K1240 I1244 R1425E1122-N1242 WeakPolarHBondContact CG-ND2 3.45Å; E1122-N1242 PolarHBondContact OE1-ND2 2.82Å; E1122-N1242 PolarHBondContact OE1-OD1 3.32Å; F1123-N1242 PolarHBondContact O-N 2.66Å; D1124-N1242 WeakPolarHBondContact OD1-CB 3.41Å; D1124-N1242 PolarHBondContact OD1-ND2 2.82Å; L1125-N1242 PolarHBondContact N-O 2.89Å; Q1226-N1242 HydrophobicContact CG-CB 4.43Å; P1228-N1242 WeakPolarHBondContact CB-OD1 3.16Å; K1240-N1242 WeakPolarHBondContact CE-OD1 3.11Å; N1242-I1244 PolarHBondContact O-N 3.15Å; N1242-R1425 PolarHBondContact ND2-NH2 3.07Å
1243M89.7Confident85.8Confident0 Ų021.5 Ų21.50%011%0.113CC..EExtended strand (participates in β ladder)trans-76.7108.5179.9-53.5-56.2-72.200108.7L1125 I1127 I1196 I1198 I1215 Q1226 L1227 V1229 L1241L1125-M1243 HydrophobicContact CB-SD 3.89Å; L1125-M1243 HydrophobicContact CD2-CE 3.47Å; L1125-M1243 VanDerWaalsContact CD2-CE 3.47Å; L1125-M1243 HydrophobicContact CD2-SD 3.63Å; L1125-M1243 HydrophobicContact CG-SD 4.39Å; I1127-M1243 HydrophobicContact CD1-CB 4.15Å; I1127-M1243 HydrophobicContact CD1-CE 3.74Å; I1127-M1243 HydrophobicContact CG1-CE 4Å; I1196-M1243 HydrophobicContact CD1-CB 3.93Å; I1196-M1243 HydrophobicContact CG2-CB 4.24Å; I1198-M1243 HydrophobicContact CD1-CE 4.41Å; I1215-M1243 HydrophobicContact CB-CE 4.47Å; I1215-M1243 HydrophobicContact CD1-CE 3.94Å; I1215-M1243 HydrophobicContact CG2-CE 3.27Å; Q1226-M1243 CarbonylContact C-O 3.43Å; Q1226-M1243 WeakPolarHBondContact CA-O 3.27Å; L1227-M1243 HydrophobicContact CB-CB 4.35Å; L1227-M1243 PolarHBondContact N-O 2.63Å; L1227-M1243 VanDerWaalsContact O-CB 3.24Å; L1227-M1243 WeakPolarHBondContact O-CB 3.43Å; L1227-M1243 WeakPolarHBondContact O-CG 3.08Å; L1227-M1243 PolarHBondContact O-N 2.89Å; V1229-M1243 HydrophobicContact CB-CG 4.2Å; V1229-M1243 HydrophobicContact CG2-CG 3.72Å; L1241-M1243 HydrophobicContact CB-SD 3.96Å; L1241-M1243 PolarHBondContact O-N 2.91Å
1244I87.4Confident85.5Confident1 Ų122.1 Ų22.11%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-111.5125.4-176.5-57.4170.4000109.5D1124 L1125 F1126 I1127 H1225 Q1226 N1242D1124-I1244 HydrophobicContact CB-CD1 3.88Å; L1125-I1244 PolarHBondContact O-N 3.19Å; F1126-I1244 CarbonylContact C-O 3.55Å; F1126-I1244 WeakPolarHBondContact CA-O 3.3Å; F1126-I1244 HydrophobicContact CD2-CB 4.16Å; F1126-I1244 HydrophobicContact CD2-CG2 3.93Å; F1126-I1244 VanDerWaalsContact CD2-O 3.3Å; F1126-I1244 WeakPolarHBondContact CD2-O 3.18Å; F1126-I1244 HydrophobicContact CE2-CG2 4.45Å; I1127-I1244 PolarHBondContact N-O 3.06Å; H1225-I1244 WeakPolarHBondContact O-CA 3.34Å; Q1226-I1244 HydrophobicContact CB-CG1 4.43Å; Q1226-I1244 HydrophobicContact CG-CG1 4.1Å; N1242-I1244 PolarHBondContact O-N 3.15Å
1245G86.6Confident85.3Confident0 Ų020.7 Ų20.70%011%0.108CC..EExtended strand (participates in β ladder)trans-135.2144172.600000110.9Y1217 H1225Y1217-G1245 VanDerWaalsContact CZ-C 3.46Å; Y1217-G1245 PolarHBondContact OH-O 3.08Å; H1225-G1245 PolarHBondContact N-O 2.87Å; H1225-G1245 PolarHBondContact O-N 2.91Å
1246I86.6Confident85Confident7 Ų718.4 Ų18.44%0.03610%0.095CC..EExtended strand (participates in β ladder)trans-117.8132.2176.8-64.2162.8000109.6F1126 G1128 T1129 S1130 Y1217 H1219 C1224 L1248 Y1254 E1417F1126-I1246 HydrophobicContact CE2-CD1 4.07Å; F1126-I1246 HydrophobicContact CE2-CG1 4.29Å; G1128-I1246 PolarHBondContact O-N 2.88Å; T1129-I1246 VanDerWaalsContact CA-O 3.3Å; T1129-I1246 WeakPolarHBondContact CA-O 3.12Å; T1129-I1246 HydrophobicContact CG2-CB 4.15Å; T1129-I1246 HydrophobicContact CG2-CG2 4.04Å; S1130-I1246 PolarHBondContact N-O 2.9Å; Y1217-I1246 PolarHBondContact OH-N 2.83Å; H1219-I1246 PolarHBondContact CE1-O 2.81Å; H1219-I1246 PolarHBondContact ND1-O 3.3Å; C1224-I1246 HydrophobicContact CB-CG1 4.32Å; I1246-L1248 HydrophobicContact CG2-CD2 3.83Å; I1246-L1248 HydrophobicContact CG2-CG 4.37Å; I1246-Y1254 WeakPolarHBondContact CD1-OH 3.2Å; I1246-E1417 WeakPolarHBondContact CD1-OE1 3.37Å
1247T86.3Confident84.5Confident2 Ų219.5 Ų19.51%0.01210%0.101CC..EExtended strand (participates in β ladder)trans-118117.8173.2-59.60000109.7S1130 I1132 Y1217 H1219 L1221 S1222 G1223S1130-T1247 CarbonylContact O-C 3.57Å; S1130-T1247 VanDerWaalsContact O-CA 3.3Å; S1130-T1247 WeakPolarHBondContact O-CA 3.34Å; I1132-T1247 HydrophobicContact CB-CG2 4.14Å; I1132-T1247 HydrophobicContact CG1-CG2 4.43Å; Y1217-T1247 PolarHBondContact OH-OG1 3.37Å; H1219-T1247 WeakPolarHBondContact CA-OG1 3.36Å; H1219-T1247 HydrophobicContact CB-CG2 3.92Å; H1219-T1247 PolarHBondContact ND1-OG1 2.92Å; L1221-T1247 WeakPolarHBondContact O-CB 3.5Å; L1221-T1247 WeakPolarHBondContact O-CG2 3.5Å; L1221-T1247 PolarHBondContact O-OG1 2.81Å; S1222-T1247 CarbonylContact C-O 3.55Å; S1222-T1247 WeakPolarHBondContact CA-O 3.44Å; G1223-T1247 PolarHBondContact N-O 2.98Å; G1223-T1247 PolarHBondContact O-N 3.3Å
1248L83.3Confident83.3Confident5 Ų522.2 Ų22.23%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-88.1141.3-175.4-59.6174.5000111.2T1129 S1130 V1131 I1132 I1246 Y1254 P1287T1129-L1248 HydrophobicContact CG2-CD1 3.55Å; T1129-L1248 HydrophobicContact CG2-CD2 4.23Å; T1129-L1248 HydrophobicContact CG2-CG 3.66Å; S1130-L1248 PolarHBondContact O-N 2.9Å; V1131-L1248 WeakPolarHBondContact CA-O 3.27Å; V1131-L1248 HydrophobicContact CG1-CB 4.35Å; V1131-L1248 WeakPolarHBondContact CG1-O 3.45Å; I1132-L1248 PolarHBondContact N-O 3.21Å; I1246-L1248 HydrophobicContact CG2-CD2 3.83Å; I1246-L1248 HydrophobicContact CG2-CG 4.37Å; L1248-Y1254 HydrophobicContact CD1-CD1 3.94Å; L1248-Y1254 HydrophobicContact CD1-CG 3.85Å; L1248-Y1254 HydrophobicContact CD2-CD1 4.04Å; L1248-Y1254 HydrophobicContact CD2-CD2 3.61Å; L1248-Y1254 HydrophobicContact CD2-CE2 4.21Å; L1248-Y1254 HydrophobicContact CD2-CG 3.51Å; L1248-Y1254 HydrophobicContact CG-CG 4.33Å; L1248-P1287 HydrophobicContact CD1-CG 4.01Å
1249P81.8Confident82.4Confident48 Ų4823.2 Ų23.231%0.31212%0.124SC..  trans-60.9148163.9-21.934.2000111.9N1251 Q1252P1249-N1251 VanDerWaalsContact C-N 3.25Å; P1249-N1251 PolarHBondContact O-N 3.02Å; P1249-N1251 VanDerWaalsContact O-N 3.12Å; P1249-Q1252 HydrophobicContact CB-CB 4.16Å; P1249-Q1252 HydrophobicContact CG-CB 4.31Å; P1249-Q1252 VanDerWaalsContact CG-OE1 3.27Å; P1249-Q1252 PolarHBondContact O-N 2.89Å
1250L75.7Confident81.6Confident58 Ų5824.3 Ų24.330%0.30413%0.128SC..THydrogen-bonded Turntrans-51.7-37.7-177.2-91.8131.1000114.9I1132 K1134 L1289I1132-L1250 HydrophobicContact CG2-CD1 3.55Å; I1132-L1250 HydrophobicContact CG2-CG 4.04Å; K1134-L1250 HydrophobicContact CG-CD2 4.27Å; L1250-L1289 HydrophobicContact CD2-CD1 4.06Å
1251N73.9Confident81.1Confident136 Ų13624.6 Ų24.673%0.72713%0.13SC*.THydrogen-bonded Turntrans-107.119.8-172.9-68.1-17.8000113.5P1249P1249-N1251 VanDerWaalsContact C-N 3.25Å; P1249-N1251 PolarHBondContact O-N 3.02Å; P1249-N1251 VanDerWaalsContact O-N 3.12Å
1252Q80.8Confident80.3Confident41 Ų4126.8 Ų26.819%0.19214%0.138CC..  trans-105.1118.8-177.6-174.5174.6-14.900111.5P1249 S1288 Y1380P1249-Q1252 HydrophobicContact CB-CB 4.16Å; P1249-Q1252 HydrophobicContact CG-CB 4.31Å; P1249-Q1252 VanDerWaalsContact CG-OE1 3.27Å; P1249-Q1252 PolarHBondContact O-N 2.89Å; Q1252-S1288 WeakPolarHBondContact O-CB 3.41Å; Q1252-Y1380 HydrophobicContact CG-CD2 4.27Å; Q1252-Y1380 HydrophobicContact CG-CE1 4.35Å; Q1252-Y1380 HydrophobicContact CG-CE2 3.84Å; Q1252-Y1380 PolarHBondContact NE2-OH 3.27Å
1253P81.6Confident79.7Confident1 Ų127.4 Ų27.41%0.00614%0.141CC..  trans-63136.7168.4-9.521.6000110.2I1292 D1368 Y1380P1253-I1292 HydrophobicContact CB-CD1 4.47Å; P1253-I1292 HydrophobicContact CB-CG1 4Å; P1253-D1368 HydrophobicContact CG-CB 3.76Å; P1253-Y1380 HydrophobicContact CB-CD1 4.05Å; P1253-Y1380 HydrophobicContact CB-CE1 4.34Å; P1253-Y1380 HydrophobicContact CG-CD1 3.64Å; P1253-Y1380 HydrophobicContact CG-CE1 4.36Å; P1253-Y1380 HydrophobicContact CG-CG 4.23Å; P1253-Y1380 WeakPolarHBondContact O-CE1 3.36Å
1254Y84.5Confident79.1Confident14 Ų1427.4 Ų27.46%0.05514%0.141CC..  trans-146125.7178.7-175.7-95000111.6T1129 I1246 L1248 Q1256 N1286 P1287 I1292 T1414 E1417T1129-Y1254 HydrophobicContact CG2-CD1 4.3Å; T1129-Y1254 HydrophobicContact CG2-CE1 4.25Å; I1246-Y1254 WeakPolarHBondContact CD1-OH 3.2Å; L1248-Y1254 HydrophobicContact CD1-CD1 3.94Å; L1248-Y1254 HydrophobicContact CD1-CG 3.85Å; L1248-Y1254 HydrophobicContact CD2-CD1 4.04Å; L1248-Y1254 HydrophobicContact CD2-CD2 3.61Å; L1248-Y1254 HydrophobicContact CD2-CE2 4.21Å; L1248-Y1254 HydrophobicContact CD2-CG 3.51Å; L1248-Y1254 HydrophobicContact CG-CG 4.33Å; Y1254-Q1256 HydrophobicContact CD1-CB 4.2Å; Y1254-Q1256 HydrophobicContact CE1-CB 3.84Å; Y1254-Q1256 HydrophobicContact CE1-CG 4.32Å; Y1254-N1286 PolarHBondContact O-OD1 2.93Å; Y1254-P1287 HydrophobicContact CD1-CG 3.74Å; Y1254-P1287 HydrophobicContact CE1-CG 4.39Å; Y1254-P1287 WeakPolarHBondContact O-CD 3.32Å; Y1254-I1292 WeakPolarHBondContact O-CD1 3.02Å; Y1254-T1414 HydrophobicContact CE2-CG2 4.46Å; Y1254-E1417 PolarHBondContact OH-OE1 2.75Å; Y1254-E1417 VanDerWaalsContact OH-OE1 3.14Å
1255L85.6Confident78.4Confident3 Ų328.9 Ų28.92%0.01615%0.149CC..  trans-99114.1174.2-175.666.1000109.7L1284 I1292 I1338 I1364 I1366 I1384L1255-L1284 HydrophobicContact CD1-CB 4.12Å; L1255-L1284 HydrophobicContact CD2-CD2 4.37Å; L1255-I1292 HydrophobicContact CB-CD1 4.34Å; L1255-I1338 HydrophobicContact CD1-CD1 3.75Å; L1255-I1364 HydrophobicContact CD2-CG2 3.79Å; L1255-I1366 HydrophobicContact CB-CD1 3.91Å; L1255-I1366 HydrophobicContact CB-CG2 3.92Å; L1255-I1366 HydrophobicContact CD2-CG2 3.68Å; L1255-I1366 HydrophobicContact CG-CG2 4.41Å; L1255-I1384 HydrophobicContact CB-CD1 4.08Å; L1255-I1384 HydrophobicContact CD2-CD1 4.18Å; L1255-I1384 HydrophobicContact CG-CD1 4.43Å
1256Q81.2Confident77.8Confident22 Ų2229.8 Ų29.810%0.10316%0.155CC..BIsolated β-bridgetrans-88.8116.1177.4-172.2175.310.600110.2F1126 T1129 Y1254 K1285 P1287F1126-Q1256 VanDerWaalsContact CZ-NE2 3.3Å; T1129-Q1256 PolarHBondContact OG1-NE2 2.88Å; Y1254-Q1256 HydrophobicContact CD1-CB 4.2Å; Y1254-Q1256 HydrophobicContact CE1-CB 3.84Å; Y1254-Q1256 HydrophobicContact CE1-CG 4.32Å; Q1256-K1285 HydrophobicContact CB-CB 4.29Å; Q1256-K1285 WeakPolarHBondContact CB-O 3.16Å; Q1256-K1285 PolarHBondContact N-O 3.38Å; Q1256-K1285 PolarHBondContact O-N 2.83Å; Q1256-P1287 HydrophobicContact CB-CG 3.92Å
1257L76.3Confident77.2Confident23 Ų2329.4 Ų29.412%0.1215%0.153CC..  trans-106.6124.9170.9-71166.5000108.3Y1259 M1282 L1284 I1364 I1384L1257-Y1259 PolarHBondContact O-N 3.28Å; L1257-M1282 HydrophobicContact CD2-CE 4.26Å; L1257-L1284 HydrophobicContact CD2-CD2 3.26Å; L1257-L1284 HydrophobicContact CG-CD2 4.48Å; L1257-I1364 HydrophobicContact CD1-CD1 4.1Å; L1257-I1364 HydrophobicContact CD2-CD1 4.47Å; L1257-I1384 HydrophobicContact CD1-CB 4.34Å; L1257-I1384 HydrophobicContact CD1-CD1 4.02Å; L1257-I1384 HydrophobicContact CD1-CG2 3.46Å; L1257-I1384 VanDerWaalsContact CD1-CG2 3.46Å
1258P65.3Low76.6Confident71 Ų7129.3 Ų29.346%0.46115%0.153SC..SBendtrans-62.5-35.3177.324.4-31.6000111.3
1259Y69.4Low76.2Confident22 Ų2231.1 Ų31.19%0.08616%0.162CC..  trans-142.7135.5175.9-50.4-74.2000110.9R1079 S1080 L1257 K1261 R1409R1079-Y1259 PolarHBondContact O-OH 2.94Å; R1079-Y1259 VanDerWaalsContact O-OH 3.11Å; S1080-Y1259 WeakPolarHBondContact CA-OH 3.36Å; S1080-Y1259 PolarHBondContact O-OH 3.07Å; S1080-Y1259 VanDerWaalsContact O-OH 3.11Å; L1257-Y1259 PolarHBondContact O-N 3.28Å; Y1259-K1261 WeakPolarHBondContact CB-O 3.47Å; Y1259-R1409 HydrophobicContact CD1-CB 3.56Å; Y1259-R1409 HydrophobicContact CD1-CG 3.53Å; Y1259-R1409 HydrophobicContact CD2-CG 4.23Å; Y1259-R1409 HydrophobicContact CE1-CB 3.41Å; Y1259-R1409 VanDerWaalsContact CE1-CB 3.41Å; Y1259-R1409 VanDerWaalsContact CE1-CD 3.48Å; Y1259-R1409 HydrophobicContact CE1-CG 3.51Å; Y1259-R1409 HydrophobicContact CE2-CG 4.21Å; Y1259-R1409 VanDerWaalsContact CE2-NE 3.29Å; Y1259-R1409 HydrophobicContact CG-CB 4.41Å; Y1259-R1409 HydrophobicContact CG-CG 3.9Å; Y1259-R1409 VanDerWaalsContact CZ-CZ 3.49Å; Y1259-R1409 WeakPolarHBondContact OH-CD 3.31Å; Y1259-R1409 PolarHBondContact OH-NH1 3.21Å
1260R72.3Confident75.5Confident23 Ų2332 Ų329%0.08718%0.18CC..SBendtrans-83.1-17.1169.4-70.4-162.6172-159-21.5113I1384 L1386 E1387 I1412 P1413 T1414R1260-I1384 HydrophobicContact CG-CG2 4.41Å; R1260-I1384 VanDerWaalsContact CZ-CG2 3.46Å; R1260-L1386 CarbonylContact O-C 3.51Å; R1260-L1386 WeakPolarHBondContact O-CA 3.33Å; R1260-L1386 WeakPolarHBondContact O-CD1 3.24Å; R1260-E1387 PolarHBondContact O-N 2.72Å; R1260-I1412 HydrophobicContact CB-CB 3.83Å; R1260-I1412 HydrophobicContact CB-CD1 4.1Å; R1260-I1412 HydrophobicContact CB-CG1 4.23Å; R1260-I1412 WeakPolarHBondContact CD-O 3.26Å; R1260-I1412 HydrophobicContact CG-CB 4.27Å; R1260-I1412 WeakPolarHBondContact CG-O 3.32Å; R1260-P1413 VanDerWaalsContact CZ-O 3.26Å; R1260-P1413 PolarHBondContact NH1-O 2.94Å; R1260-T1414 VanDerWaalsContact CZ-CA 3.44Å; R1260-T1414 VanDerWaalsContact NH2-CA 3.28Å; R1260-T1414 VanDerWaalsContact NH2-CG2 3.31Å
1261K76.5Confident75Confident38 Ų3830 Ų3017%0.16517%0.169CC..EExtended strand (participates in β ladder)trans-105.8105.6168.4-177.1-175.5-178.2-162.60107.6Y1259 I1263 E1387 I1389Y1259-K1261 WeakPolarHBondContact CB-O 3.47Å; K1261-I1263 HydrophobicContact CG-CG1 4.49Å; K1261-E1387 CarbonylContact C-O 3.57Å; K1261-E1387 VanDerWaalsContact CA-O 3.3Å; K1261-E1387 WeakPolarHBondContact CA-O 3.33Å; K1261-E1387 HydrophobicContact CB-CB 4.44Å; K1261-E1387 HydrophobicContact CG-CB 4.45Å; K1261-E1387 HydrophobicContact CG-CG 4.25Å; K1261-E1387 WeakPolarHBondContact CG-OE2 3.24Å; K1261-I1389 HydrophobicContact CD-CD1 4.38Å; K1261-I1389 HydrophobicContact CG-CD1 4.37Å
1262Y75Confident74.5Confident46 Ų4624 Ų2418%0.1814%0.139CC..EExtended strand (participates in β ladder)trans-106.1116.3-177.5-171.4-90.8000109.7L1264 Q1281 M1282 E1387 L1388 I1389Y1262-L1264 HydrophobicContact CD1-CD2 4.29Å; Y1262-L1264 HydrophobicContact CD1-CG 4.21Å; Y1262-L1264 HydrophobicContact CE1-CD2 3.83Å; Y1262-L1264 HydrophobicContact CE1-CG 4.14Å; Y1262-Q1281 PolarHBondContact OH-O 2.95Å; Y1262-Q1281 VanDerWaalsContact OH-O 3.1Å; Y1262-M1282 HydrophobicContact CD2-CG 3.97Å; Y1262-M1282 HydrophobicContact CD2-SD 4.25Å; Y1262-M1282 HydrophobicContact CE2-CB 4.29Å; Y1262-M1282 HydrophobicContact CE2-CG 3.88Å; Y1262-M1282 HydrophobicContact CG-CG 4.42Å; Y1262-M1282 HydrophobicContact CG-SD 4.2Å; Y1262-E1387 PolarHBondContact N-O 2.84Å; Y1262-L1388 HydrophobicContact CD1-CD2 4.09Å; Y1262-L1388 WeakPolarHBondContact O-CA 3.37Å; Y1262-I1389 PolarHBondContact O-N 2.84Å
1263I74.4Confident73.6Confident14 Ų1422.8 Ų22.87%0.07213%0.134CC..EExtended strand (participates in β ladder)trans-101.4116.9179.6-47.5-160.1000108.6K1261 I1389 P1407K1261-I1263 HydrophobicContact CG-CG1 4.49Å; I1263-I1389 CarbonylContact C-O 3.47Å; I1263-I1389 WeakPolarHBondContact CA-O 3.28Å; I1263-I1389 HydrophobicContact CB-CB 4.39Å; I1263-I1389 HydrophobicContact CD1-CB 4.37Å; I1263-I1389 HydrophobicContact CD1-CD1 4.21Å; I1263-I1389 HydrophobicContact CG1-CB 4.03Å; I1263-I1389 HydrophobicContact CG1-CG1 4.42Å; I1263-I1389 HydrophobicContact CG2-CB 4.14Å; I1263-I1389 HydrophobicContact CG2-CG2 4.22Å; I1263-P1407 HydrophobicContact CD1-CB 4.17Å; I1263-P1407 VanDerWaalsContact CD1-O 3.22Å; I1263-P1407 WeakPolarHBondContact CD1-O 3.39Å; I1263-P1407 HydrophobicContact CG2-CB 4.45Å; I1263-P1407 HydrophobicContact CG2-CG 3.83Å
1264L76.9Confident72.7Confident1 Ų130.9 Ų30.91%0.00517%0.166CC..PPolyproline II helixtrans-74.3143.2175.7-62.6144.9000108.8Y1262 F1280 L1329 W1348 I1389 A1390Y1262-L1264 HydrophobicContact CD1-CD2 4.29Å; Y1262-L1264 HydrophobicContact CD1-CG 4.21Å; Y1262-L1264 HydrophobicContact CE1-CD2 3.83Å; Y1262-L1264 HydrophobicContact CE1-CG 4.14Å; L1264-F1280 HydrophobicContact CB-CD1 4.13Å; L1264-F1280 HydrophobicContact CB-CE1 4.04Å; L1264-F1280 HydrophobicContact CB-CG 4.48Å; L1264-F1280 HydrophobicContact CB-CZ 4.35Å; L1264-F1280 HydrophobicContact CD2-CB 3.33Å; L1264-F1280 HydrophobicContact CD2-CD1 3.55Å; L1264-F1280 HydrophobicContact CD2-CD2 3.68Å; L1264-F1280 HydrophobicContact CD2-CE1 4.25Å; L1264-F1280 HydrophobicContact CD2-CE2 4.39Å; L1264-F1280 HydrophobicContact CD2-CG 3.21Å; L1264-F1280 HydrophobicContact CG-CD1 4.47Å; L1264-F1280 HydrophobicContact CG-CG 4.43Å; L1264-L1329 HydrophobicContact CD1-CD1 3.86Å; L1264-L1329 HydrophobicContact CD1-CD2 4.41Å; L1264-W1348 HydrophobicContact CD2-CB 4.42Å; L1264-I1389 PolarHBondContact N-O 3.38Å; L1264-A1390 HydrophobicContact CB-CB 4.36Å; L1264-A1390 HydrophobicContact CD1-CB 3.49Å; L1264-A1390 VanDerWaalsContact CD1-CB 3.49Å
1265N72Confident71.8Confident32 Ų3237.9 Ų37.917%0.17119%0.192CC..PPolyproline II helixtrans-56.3139.8177.8-63.2-12.4000110.3T1267 F1280 F1550N1265-T1267 PolarHBondContact O-N 3.17Å; N1265-T1267 PolarHBondContact O-OG1 2.93Å; N1265-T1267 VanDerWaalsContact O-OG1 3.1Å; N1265-F1280 HydrophobicContact CB-CE1 4Å; N1265-F1550 HydrophobicContact CB-CD1 4.44Å; N1265-F1550 HydrophobicContact CB-CD2 4.2Å; N1265-F1550 HydrophobicContact CB-CE1 4.09Å; N1265-F1550 HydrophobicContact CB-CE2 3.85Å; N1265-F1550 HydrophobicContact CB-CG 4.48Å; N1265-F1550 HydrophobicContact CB-CZ 3.79Å; N1265-F1550 VanDerWaalsContact ND2-CD1 3.28Å; N1265-F1550 WeakPolarHBondContact ND2-CD1 3.49Å
1266P74.2Confident71Confident18 Ų1840.3 Ų40.312%0.11720%0.204CC..PPolyproline II helixtrans-51.9126.4177.7-26.333.8000111I1391 Y1393P1266-I1391 CarbonylContact C-O 3.52Å; P1266-I1391 WeakPolarHBondContact CA-O 3.38Å; P1266-I1391 HydrophobicContact CB-CB 4.29Å; P1266-I1391 HydrophobicContact CB-CG2 4.35Å; P1266-I1391 HydrophobicContact CG-CB 4.47Å; P1266-Y1393 HydrophobicContact CB-CD1 3.83Å; P1266-Y1393 HydrophobicContact CB-CE1 3.96Å
1267T74.4Confident70.6Confident0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-111.1127.2-175.8-54.30000109.7N1265 Y1278 F1280 F1350 P1352 I1391 G1392 Y1393N1265-T1267 PolarHBondContact O-N 3.17Å; N1265-T1267 PolarHBondContact O-OG1 2.93Å; N1265-T1267 VanDerWaalsContact O-OG1 3.1Å; T1267-Y1278 HydrophobicContact CG2-CD2 3.29Å; T1267-Y1278 HydrophobicContact CG2-CE2 3.79Å; T1267-Y1278 HydrophobicContact CG2-CG 3.75Å; T1267-F1280 VanDerWaalsContact OG1-CZ 3.29Å; T1267-F1280 WeakPolarHBondContact OG1-CZ 3.15Å; T1267-F1350 HydrophobicContact CG2-CD1 4.31Å; T1267-F1350 WeakPolarHBondContact OG1-CD1 3.11Å; T1267-P1352 HydrophobicContact CG2-CG 3.84Å; T1267-I1391 PolarHBondContact N-O 3.31Å; T1267-G1392 VanDerWaalsContact O-CA 3.32Å; T1267-G1392 WeakPolarHBondContact O-CA 3.44Å; T1267-Y1393 WeakPolarHBondContact O-CD1 3.28Å; T1267-Y1393 PolarHBondContact O-N 3.27Å
1268P74Confident70.7Confident0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-63.6146.1174.929.2-40.8000112.6L1271 Y1278 Y1393 P1395 Y1647P1268-L1271 HydrophobicContact CB-CB 3.92Å; P1268-L1271 HydrophobicContact CB-CD1 3.73Å; P1268-L1271 HydrophobicContact CB-CG 4.16Å; P1268-L1271 HydrophobicContact CG-CB 3.55Å; P1268-L1271 HydrophobicContact CG-CD1 3.88Å; P1268-L1271 HydrophobicContact CG-CG 4.25Å; P1268-Y1278 HydrophobicContact CG-CE2 4.26Å; P1268-Y1393 CarbonylContact C-O 3.5Å; P1268-Y1393 WeakPolarHBondContact CA-O 3.47Å; P1268-Y1393 HydrophobicContact CB-CE1 4.22Å; P1268-Y1393 HydrophobicContact CB-CE2 4.45Å; P1268-P1395 HydrophobicContact CB-CB 4.5Å; P1268-P1395 HydrophobicContact CB-CG 4.15Å; P1268-Y1647 VanDerWaalsContact CB-OH 3.3Å; P1268-Y1647 WeakPolarHBondContact CB-OH 3.48Å; P1268-Y1647 WeakPolarHBondContact CG-OH 3.37Å
1269I75.4Confident71.4Confident43 Ų4336.1 Ų36.122%0.22118%0.181CC..SBendtrans-76.4136172.4-58.5154000109.8L1271 P1352 E1354 A1355 Y1393 D1394I1269-L1271 PolarHBondContact O-N 3.04Å; I1269-P1352 HydrophobicContact CG1-CB 4.29Å; I1269-E1354 VanDerWaalsContact CD1-C 3.42Å; I1269-A1355 VanDerWaalsContact CD1-CA 3.4Å; I1269-A1355 HydrophobicContact CD1-CB 3.51Å; I1269-Y1393 WeakPolarHBondContact CG1-O 3.32Å; I1269-Y1393 PolarHBondContact N-O 3.23Å; I1269-D1394 HydrophobicContact CD1-CB 4.27Å
1270G67.2Low71.9Confident67 Ų6735.4 Ų35.469%0.69118%0.178SC*.SBendtrans77.9-9.2174.800000114.9
1271L64.8Low72.2Confident16 Ų1636.1 Ų36.18%0.08418%0.182CC..  trans-97.8149.5173-65.8179.8000109.8P1268 I1269 Y1278 P1395 E1642 A1643 I1646 Y1647P1268-L1271 HydrophobicContact CB-CB 3.92Å; P1268-L1271 HydrophobicContact CB-CD1 3.73Å; P1268-L1271 HydrophobicContact CB-CG 4.16Å; P1268-L1271 HydrophobicContact CG-CB 3.55Å; P1268-L1271 HydrophobicContact CG-CD1 3.88Å; P1268-L1271 HydrophobicContact CG-CG 4.25Å; I1269-L1271 PolarHBondContact O-N 3.04Å; L1271-Y1278 VanDerWaalsContact O-CE2 3.27Å; L1271-Y1278 WeakPolarHBondContact O-CE2 3.49Å; L1271-P1395 HydrophobicContact CD1-CG 4.11Å; L1271-E1642 HydrophobicContact CD2-CB 4.27Å; L1271-A1643 HydrophobicContact CB-CB 4.25Å; L1271-A1643 HydrophobicContact CD1-CB 3.8Å; L1271-A1643 HydrophobicContact CD2-CB 3.87Å; L1271-A1643 HydrophobicContact CG-CB 4.19Å; L1271-I1646 HydrophobicContact CD1-CB 4.45Å; L1271-I1646 HydrophobicContact CD1-CD1 4.13Å; L1271-I1646 HydrophobicContact CD2-CD1 3.85Å; L1271-I1646 HydrophobicContact CG-CD1 4.28Å; L1271-Y1647 HydrophobicContact CD1-CE2 4.05Å
1272G61.8Low72.5Confident8 Ų834.6 Ų34.68%0.08218%0.176CC..SBendtrans109.1-175.6-172.300000113.8Y1274G1272-Y1274 PolarHBondContact O-N 3.08Å; G1272-Y1274 VanDerWaalsContact O-N 3.15Å
1273D62.9Low72.9Confident16 Ų1634.4 Ų34.49%0.08618%0.176CC..  trans-70.6110.7171.1-173.4-34.8000108.6R1275 L1276 G1277 L1547D1273-R1275 PolarHBondContact O-N 2.89Å; D1273-R1275 WeakPolarHBondContact OD1-CA 3.37Å; D1273-R1275 WeakPolarHBondContact OD1-CB 3.12Å; D1273-R1275 WeakPolarHBondContact OD1-CG 3.48Å; D1273-R1275 PolarHBondContact OD1-N 3.49Å; D1273-R1275 IonicContact OD1-NE 3.1Å; D1273-R1275 PolarHBondContact OD1-NE 3.24Å; D1273-R1275 IonicContact OD2-CZ 3.71Å; D1273-R1275 IonicContact OD2-NE 3.99Å; D1273-R1275 IonicContact OD2-NH2 2.79Å; D1273-R1275 PolarHBondContact OD2-NH2 2.79Å; D1273-L1276 HydrophobicContact CB-CB 4.45Å; D1273-L1276 PolarHBondContact O-N 3.11Å; D1273-L1276 VanDerWaalsContact O-N 3.09Å; D1273-G1277 PolarHBondContact O-N 2.92Å; D1273-L1547 HydrophobicContact CB-CD2 4.13Å; D1273-L1547 VanDerWaalsContact OD2-CD2 3.25Å; D1273-L1547 WeakPolarHBondContact OD2-CD2 3.25Å
1274Y62.6Low73.4Confident172 Ų17233.7 Ų33.768%0.67517%0.172SC*.THydrogen-bonded Turntrans-58.6-9.6178.971.3-89.2000114.1G1272 R1351G1272-Y1274 PolarHBondContact O-N 3.08Å; G1272-Y1274 VanDerWaalsContact O-N 3.15Å; Y1274-R1351 PolarHBondContact O-NH1 3Å; Y1274-R1351 PolarHBondContact O-NH2 2.91Å
1275R66.3Low73.8Confident160 Ų16035.8 Ų35.860%0.60418%0.181SC*.THydrogen-bonded Turntrans-94.2-42.3174.7-56.2174.1-65.7178.61.8111.6D1273 R1351D1273-R1275 PolarHBondContact O-N 2.89Å; D1273-R1275 WeakPolarHBondContact OD1-CA 3.37Å; D1273-R1275 WeakPolarHBondContact OD1-CB 3.12Å; D1273-R1275 WeakPolarHBondContact OD1-CG 3.48Å; D1273-R1275 PolarHBondContact OD1-N 3.49Å; D1273-R1275 IonicContact OD1-NE 3.1Å; D1273-R1275 PolarHBondContact OD1-NE 3.24Å; D1273-R1275 IonicContact OD2-CZ 3.71Å; D1273-R1275 IonicContact OD2-NE 3.99Å; D1273-R1275 IonicContact OD2-NH2 2.79Å; D1273-R1275 PolarHBondContact OD2-NH2 2.79Å; R1275-R1351 PolarHBondContact O-NH1 2.74Å
1276L68.8Low74.6Confident54 Ų5434.3 Ų34.328%0.28317%0.173SC..THydrogen-bonded Turntrans-112.9-21.9-167-60179000114.6D1273 R1349 L1547D1273-L1276 HydrophobicContact CB-CB 4.45Å; D1273-L1276 PolarHBondContact O-N 3.11Å; D1273-L1276 VanDerWaalsContact O-N 3.09Å; L1276-R1349 WeakPolarHBondContact O-CD 3.12Å; L1276-L1547 HydrophobicContact CD1-CD1 3.78Å
1277G73.2Confident74.9Confident7 Ų733.7 Ų33.77%0.07217%0.169CC..  trans77.1-172.7-171.500000113.4D1273D1273-G1277 PolarHBondContact O-N 2.92Å
1278Y78.1Confident75.4Confident1 Ų133.7 Ų33.70%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-79.9139.4176.5-88.5-100.5000111.3T1267 P1268 L1271 R1349 F1350 P1548 F1550T1267-Y1278 HydrophobicContact CG2-CD2 3.29Å; T1267-Y1278 HydrophobicContact CG2-CE2 3.79Å; T1267-Y1278 HydrophobicContact CG2-CG 3.75Å; P1268-Y1278 HydrophobicContact CG-CE2 4.26Å; L1271-Y1278 VanDerWaalsContact O-CE2 3.27Å; L1271-Y1278 WeakPolarHBondContact O-CE2 3.49Å; Y1278-R1349 WeakPolarHBondContact O-CA 3.47Å; Y1278-F1350 PolarHBondContact N-O 3.49Å; Y1278-F1350 PolarHBondContact O-N 3.07Å; Y1278-P1548 HydrophobicContact CD1-CB 4.48Å; Y1278-P1548 HydrophobicContact CE1-CB 4.09Å; Y1278-F1550 HydrophobicContact CD1-CD2 4.33Å; Y1278-F1550 HydrophobicContact CD1-CE2 4.08Å; Y1278-F1550 HydrophobicContact CE1-CE2 4.34Å
1279L79.7Confident75.7Confident21 Ų2137.6 Ų37.611%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-93.4134.4175.2-17470.5000110.9E1347 W1348 R1349 R1549L1279-E1347 HydrophobicContact CD1-CB 3.89Å; L1279-E1347 HydrophobicContact CD1-CG 4.14Å; L1279-W1348 CarbonylContact C-O 3.5Å; L1279-W1348 WeakPolarHBondContact CA-O 3.41Å; L1279-R1349 HydrophobicContact CD1-CG 4.12Å; L1279-R1549 HydrophobicContact CB-CB 4.01Å
1280F79.5Confident76.2Confident6 Ų637.9 Ų37.93%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-126.6140.5175.9-65.1-93.1000109.9L1264 N1265 T1267 E1347 W1348 F1350 F1550L1264-F1280 HydrophobicContact CB-CD1 4.13Å; L1264-F1280 HydrophobicContact CB-CE1 4.04Å; L1264-F1280 HydrophobicContact CB-CG 4.48Å; L1264-F1280 HydrophobicContact CB-CZ 4.35Å; L1264-F1280 HydrophobicContact CD2-CB 3.33Å; L1264-F1280 HydrophobicContact CD2-CD1 3.55Å; L1264-F1280 HydrophobicContact CD2-CD2 3.68Å; L1264-F1280 HydrophobicContact CD2-CE1 4.25Å; L1264-F1280 HydrophobicContact CD2-CE2 4.39Å; L1264-F1280 HydrophobicContact CD2-CG 3.21Å; L1264-F1280 HydrophobicContact CG-CD1 4.47Å; L1264-F1280 HydrophobicContact CG-CG 4.43Å; N1265-F1280 HydrophobicContact CB-CE1 4Å; T1267-F1280 VanDerWaalsContact OG1-CZ 3.29Å; T1267-F1280 WeakPolarHBondContact OG1-CZ 3.15Å; F1280-E1347 WeakPolarHBondContact O-CA 3.44Å; F1280-W1348 HydrophobicContact CB-CB 4.23Å; F1280-W1348 PolarHBondContact N-O 2.91Å; F1280-W1348 PolarHBondContact O-N 2.92Å; F1280-F1350 HydrophobicContact CD2-CB 4.13Å; F1280-F1350 HydrophobicContact CE2-CB 3.77Å; F1280-F1350 HydrophobicContact CE2-CD1 4.38Å; F1280-F1550 HydrophobicContact CD1-CD2 4.13Å; F1280-F1550 AromaticContact CE1-CD2 3.43Å; F1280-F1550 HydrophobicContact CE1-CD2 3.43Å; F1280-F1550 VanDerWaalsContact CE1-CD2 3.43Å; F1280-F1550 AromaticContact CE1-CE2 3.79Å; F1280-F1550 HydrophobicContact CE1-CE2 3.79Å; F1280-F1550 HydrophobicContact CE1-CG 4.4Å; F1280-F1550 AromaticContact CZ-CD2 3.79Å; F1280-F1550 HydrophobicContact CZ-CD2 3.79Å; F1280-F1550 AromaticContact CZ-CE2 3.85Å; F1280-F1550 HydrophobicContact CZ-CE2 3.85Å
1281Q79.4Confident77.1Confident39 Ų3935.9 Ų35.918%0.18216%0.164CC..EExtended strand (participates in β ladder)trans-113.4123.5179.9-71.8178.7-22.400110.5Y1262 E1347Y1262-Q1281 PolarHBondContact OH-O 2.95Å; Y1262-Q1281 VanDerWaalsContact OH-O 3.1Å; Q1281-E1347 HydrophobicContact CG-CG 4.2Å
1282M82.5Confident78.2Confident5 Ų535.1 Ų35.13%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-109.2123.5175.6-174.3-176.790.300109.4L1257 Y1262 L1284 L1346 I1364 L1386L1257-M1282 HydrophobicContact CD2-CE 4.26Å; Y1262-M1282 HydrophobicContact CD2-CG 3.97Å; Y1262-M1282 HydrophobicContact CD2-SD 4.25Å; Y1262-M1282 HydrophobicContact CE2-CB 4.29Å; Y1262-M1282 HydrophobicContact CE2-CG 3.88Å; Y1262-M1282 HydrophobicContact CG-CG 4.42Å; Y1262-M1282 HydrophobicContact CG-SD 4.2Å; M1282-L1284 HydrophobicContact CE-CD2 3.49Å; M1282-L1284 VanDerWaalsContact CE-CD2 3.49Å; M1282-L1284 HydrophobicContact CE-CG 4.28Å; M1282-L1346 HydrophobicContact CB-CB 4.37Å; M1282-L1346 HydrophobicContact CE-CB 4.45Å; M1282-L1346 HydrophobicContact CE-CD2 3.47Å; M1282-L1346 VanDerWaalsContact CE-CD2 3.47Å; M1282-L1346 PolarHBondContact N-O 3.08Å; M1282-L1346 WeakPolarHBondContact O-CB 3.3Å; M1282-L1346 PolarHBondContact O-N 3.26Å; M1282-I1364 HydrophobicContact CE-CD1 4.36Å; M1282-L1386 HydrophobicContact CE-CD2 3.96Å; M1282-L1386 HydrophobicContact SD-CD1 4.29Å; M1282-L1386 HydrophobicContact SD-CD2 3.82Å
1283K82.5Confident79.5Confident42 Ų4237 Ų3718%0.18317%0.167CC..EExtended strand (participates in β ladder)trans-86.1126.4-177.8-63.2-173.8-173.3-172.30111V1343 E1513K1283-V1343 HydrophobicContact CB-CG1 3.76Å; K1283-V1343 HydrophobicContact CD-CG1 4.27Å; K1283-V1343 HydrophobicContact CG-CG1 4.16Å; K1283-E1513 IonicContact NZ-OE2 3.67Å; K1283-E1513 PolarHBondContact NZ-OE2 3.28Å
1284L85.6Confident80.8Confident0 Ų036.3 Ų36.30%016%0.163CC..EExtended strand (participates in β ladder)trans-106.3114.1174.7-66.8-173.1000108.7L1255 L1257 M1282 F1294 I1338 V1343 Y1344 L1346 I1364L1255-L1284 HydrophobicContact CD1-CB 4.12Å; L1255-L1284 HydrophobicContact CD2-CD2 4.37Å; L1257-L1284 HydrophobicContact CD2-CD2 3.26Å; L1257-L1284 HydrophobicContact CG-CD2 4.48Å; M1282-L1284 HydrophobicContact CE-CD2 3.49Å; M1282-L1284 VanDerWaalsContact CE-CD2 3.49Å; M1282-L1284 HydrophobicContact CE-CG 4.28Å; L1284-F1294 HydrophobicContact CD1-CD1 4.49Å; L1284-F1294 HydrophobicContact CD1-CD2 4.3Å; L1284-F1294 HydrophobicContact CD1-CE1 4.29Å; L1284-F1294 HydrophobicContact CD1-CE2 4.13Å; L1284-F1294 HydrophobicContact CD1-CG 4.48Å; L1284-F1294 HydrophobicContact CD1-CZ 4.13Å; L1284-I1338 HydrophobicContact CB-CD1 3.82Å; L1284-I1338 HydrophobicContact CD1-CD1 4.27Å; L1284-V1343 CarbonylContact O-C 3.28Å; L1284-V1343 WeakPolarHBondContact O-CA 3.46Å; L1284-Y1344 HydrophobicContact CD1-CD1 4.38Å; L1284-Y1344 PolarHBondContact N-O 3.44Å; L1284-Y1344 PolarHBondContact O-N 2.83Å; L1284-L1346 HydrophobicContact CD1-CB 4.24Å; L1284-L1346 HydrophobicContact CD1-CD2 4.49Å; L1284-L1346 HydrophobicContact CG-CB 4.27Å; L1284-I1364 HydrophobicContact CD2-CD1 4.48Å
1285K84.8Confident82Confident45 Ų4531.4 Ų31.420%0.19615%0.146CC..EExtended strand (participates in β ladder)trans-104.4132.3-176.2-175.9173.9-1781790111.1Q1256 P1287 V1343Q1256-K1285 HydrophobicContact CB-CB 4.29Å; Q1256-K1285 WeakPolarHBondContact CB-O 3.16Å; Q1256-K1285 PolarHBondContact N-O 3.38Å; Q1256-K1285 PolarHBondContact O-N 2.83Å; K1285-P1287 VanDerWaalsContact O-CD 3.23Å; K1285-P1287 WeakPolarHBondContact O-CD 3.45Å; K1285-V1343 HydrophobicContact CB-CG2 4.28Å; K1285-V1343 HydrophobicContact CG-CG2 4.1Å
1286N88.4Confident83Confident0 Ų024 Ų240%012%0.118CC..  trans-107.393.3172.517810.9000110.4Y1254 S1288 K1290 I1292 I1338 K1339 N1341 E1342Y1254-N1286 PolarHBondContact O-OD1 2.93Å; N1286-S1288 PolarHBondContact O-N 2.78Å; N1286-S1288 WeakPolarHBondContact OD1-CB 3.18Å; N1286-S1288 PolarHBondContact OD1-N 3.22Å; N1286-S1288 PolarHBondContact OD1-OG 2.78Å; N1286-K1290 PolarHBondContact ND2-O 2.75Å; N1286-I1292 HydrophobicContact CB-CD1 4.01Å; N1286-I1292 VanDerWaalsContact OD1-CD1 3.22Å; N1286-I1292 WeakPolarHBondContact OD1-CD1 3.31Å; N1286-I1338 HydrophobicContact CB-CB 4.08Å; N1286-I1338 HydrophobicContact CB-CG2 3.49Å; N1286-I1338 VanDerWaalsContact CB-CG2 3.49Å; N1286-I1338 PolarHBondContact ND2-O 3.21Å; N1286-K1339 PolarHBondContact ND2-O 3.28Å; N1286-K1339 VanDerWaalsContact ND2-O 3.13Å; N1286-N1341 WeakPolarHBondContact O-CA 3.49Å; N1286-N1341 PolarHBondContact O-N 3.43Å; N1286-E1342 PolarHBondContact N-O 3.1Å
1287P81.4Confident83.7Confident5 Ų522.4 Ų22.43%0.03211%0.112CC..  trans-78.6-0.5174.834.4-39.1000113.7T1129 L1248 Y1254 Q1256 K1285 N1341T1129-P1287 HydrophobicContact CG2-CB 4.06Å; T1129-P1287 HydrophobicContact CG2-CG 3.71Å; L1248-P1287 HydrophobicContact CD1-CG 4.01Å; Y1254-P1287 HydrophobicContact CD1-CG 3.74Å; Y1254-P1287 HydrophobicContact CE1-CG 4.39Å; Y1254-P1287 WeakPolarHBondContact O-CD 3.32Å; Q1256-P1287 HydrophobicContact CB-CG 3.92Å; K1285-P1287 VanDerWaalsContact O-CD 3.23Å; K1285-P1287 WeakPolarHBondContact O-CD 3.45Å; P1287-N1341 PolarHBondContact O-OD1 2.8Å
1288S84.5Confident84Confident1 Ų127.4 Ų27.41%0.00714%0.143CC..SBendtrans-81.6163-179.379.20000112Q1252 N1286 K1290 P1340Q1252-S1288 WeakPolarHBondContact O-CB 3.41Å; N1286-S1288 PolarHBondContact O-N 2.78Å; N1286-S1288 WeakPolarHBondContact OD1-CB 3.18Å; N1286-S1288 PolarHBondContact OD1-N 3.22Å; N1286-S1288 PolarHBondContact OD1-OG 2.78Å; S1288-K1290 PolarHBondContact O-N 3.45Å; S1288-K1290 PolarHBondContact OG-N 3.46Å; S1288-K1290 PolarHBondContact OG-O 2.82Å; S1288-P1340 VanDerWaalsContact O-CA 3.28Å; S1288-P1340 WeakPolarHBondContact O-CA 3.41Å; S1288-P1340 WeakPolarHBondContact O-CB 3.44Å
1289L81.6Confident83.9Confident81 Ų8129.9 Ų29.942%0.42416%0.156SC..SBendtrans-811.8174.5-63.9173.7000113.3V1131 L1250 P1340V1131-L1289 HydrophobicContact CB-CD1 4.46Å; V1131-L1289 HydrophobicContact CG1-CD1 4.12Å; V1131-L1289 HydrophobicContact CG1-CG 4.33Å; V1131-L1289 HydrophobicContact CG2-CD1 4.17Å; V1131-L1289 HydrophobicContact CG2-CD2 4.25Å; V1131-L1289 HydrophobicContact CG2-CG 3.86Å; L1250-L1289 HydrophobicContact CD2-CD1 4.06Å; L1289-P1340 VanDerWaalsContact C-CG 3.45Å; L1289-P1340 WeakPolarHBondContact O-CG 3.09Å
1290K84.9Confident83.5Confident50 Ų5032.9 Ų32.922%0.21717%0.171CC..SBendtrans-112.8145.5-176.4-78.1-74.7177.3175.80111.7N1286 S1288 I1292 E1370N1286-K1290 PolarHBondContact ND2-O 2.75Å; S1288-K1290 PolarHBondContact O-N 3.45Å; S1288-K1290 PolarHBondContact OG-N 3.46Å; S1288-K1290 PolarHBondContact OG-O 2.82Å; K1290-I1292 PolarHBondContact O-N 2.88Å; K1290-E1370 IonicContact NZ-OE2 3.06Å; K1290-E1370 PolarHBondContact NZ-OE2 2.93Å
1291T86.8Confident82.4Confident25 Ų2540.3 Ų40.315%0.15320%0.204CC..PPolyproline II helixtrans-72123.6174-56.30000109.5L1337 I1338 A1369T1291-L1337 HydrophobicContact CG2-CD2 4.29Å; T1291-I1338 WeakPolarHBondContact CA-O 3.41Å; T1291-A1369 HydrophobicContact CG2-CB 3.89Å; T1291-A1369 WeakPolarHBondContact O-CB 3.48Å; T1291-A1369 PolarHBondContact O-N 2.72Å
1292I87.4Confident80.9Confident0 Ų044.3 Ų44.30%022%0.217CC..EExtended strand (participates in β ladder)trans-95.2129.3-179.8-65.7174.5000109.5P1253 Y1254 L1255 N1286 K1290 L1337 I1338 I1366P1253-I1292 HydrophobicContact CB-CD1 4.47Å; P1253-I1292 HydrophobicContact CB-CG1 4Å; Y1254-I1292 WeakPolarHBondContact O-CD1 3.02Å; L1255-I1292 HydrophobicContact CB-CD1 4.34Å; N1286-I1292 HydrophobicContact CB-CD1 4.01Å; N1286-I1292 VanDerWaalsContact OD1-CD1 3.22Å; N1286-I1292 WeakPolarHBondContact OD1-CD1 3.31Å; K1290-I1292 PolarHBondContact O-N 2.88Å; I1292-L1337 CarbonylContact O-C 3.47Å; I1292-L1337 WeakPolarHBondContact O-CA 3.46Å; I1292-I1338 PolarHBondContact N-O 3.2Å; I1292-I1338 PolarHBondContact O-N 2.82Å; I1292-I1366 HydrophobicContact CG2-CB 3.91Å; I1292-I1366 HydrophobicContact CG2-CG2 3.96Å
1293H88.9Confident78.8Confident48 Ų4850.1 Ų50.122%0.22225%0.248CC..EExtended strand (participates in β ladder)trans-96.5122.2162.9179.9-109000108.9L1337 I1366 M1367 A1369H1293-L1337 HydrophobicContact CB-CD2 3.86Å; H1293-I1366 WeakPolarHBondContact O-CA 3.4Å; H1293-M1367 HydrophobicContact CB-CG 3.78Å; H1293-M1367 PolarHBondContact N-O 3.49Å; H1293-M1367 PolarHBondContact ND1-SD 3.19Å; H1293-M1367 PolarHBondContact O-N 3.4Å; H1293-A1369 HydrophobicContact CB-CB 4.08Å
1294F89.8Confident76.8Confident0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-113.9147.2179.275.7-91.1000111.9L1284 I1296 Q1335 G1336 I1338 Y1344 L1346 I1364 H1365 I1366L1284-F1294 HydrophobicContact CD1-CD1 4.49Å; L1284-F1294 HydrophobicContact CD1-CD2 4.3Å; L1284-F1294 HydrophobicContact CD1-CE1 4.29Å; L1284-F1294 HydrophobicContact CD1-CE2 4.13Å; L1284-F1294 HydrophobicContact CD1-CG 4.48Å; L1284-F1294 HydrophobicContact CD1-CZ 4.13Å; F1294-I1296 HydrophobicContact CD2-CD1 4.29Å; F1294-I1296 HydrophobicContact CD2-CG1 3.93Å; F1294-I1296 HydrophobicContact CE2-CD1 4.01Å; F1294-I1296 HydrophobicContact CE2-CG1 4.07Å; F1294-Q1335 WeakPolarHBondContact O-CA 3.41Å; F1294-Q1335 WeakPolarHBondContact O-CB 3.41Å; F1294-G1336 WeakPolarHBondContact CD1-O 3.25Å; F1294-G1336 VanDerWaalsContact CE1-C 3.43Å; F1294-G1336 PolarHBondContact N-O 2.79Å; F1294-G1336 PolarHBondContact O-N 3.02Å; F1294-G1336 VanDerWaalsContact O-N 3.14Å; F1294-I1338 HydrophobicContact CD1-CD1 3.72Å; F1294-I1338 HydrophobicContact CD1-CG1 3.72Å; F1294-I1338 HydrophobicContact CE1-CD1 3.97Å; F1294-I1338 HydrophobicContact CE1-CG1 3.83Å; F1294-Y1344 AromaticContact CE1-CD1 3.93Å; F1294-Y1344 HydrophobicContact CE1-CD1 3.93Å; F1294-Y1344 HydrophobicContact CE1-CD2 4.1Å; F1294-Y1344 HydrophobicContact CE1-CE1 4.02Å; F1294-Y1344 HydrophobicContact CE1-CE2 4.15Å; F1294-Y1344 AromaticContact CE1-CG 3.99Å; F1294-Y1344 HydrophobicContact CE1-CG 3.99Å; F1294-Y1344 AromaticContact CZ-CD1 3.76Å; F1294-Y1344 HydrophobicContact CZ-CD1 3.76Å; F1294-Y1344 AromaticContact CZ-CE1 3.5Å; F1294-Y1344 HydrophobicContact CZ-CE1 3.5Å; F1294-Y1344 HydrophobicContact CZ-CE2 4.31Å; F1294-Y1344 HydrophobicContact CZ-CG 4.29Å; F1294-Y1344 AromaticContact CZ-CZ 3.79Å; F1294-L1346 HydrophobicContact CE2-CD1 4.11Å; F1294-L1346 HydrophobicContact CZ-CD1 4.38Å; F1294-I1364 HydrophobicContact CB-CG2 4.3Å; F1294-H1365 CarbonylContact C-O 3.54Å; F1294-H1365 VanDerWaalsContact CA-O 3.23Å; F1294-H1365 WeakPolarHBondContact CA-O 3.47Å; F1294-I1366 HydrophobicContact CB-CG2 4.17Å
1295H89Confident74.6Confident69 Ų6961 Ų6132%0.31930%0.298SS..EExtended strand (participates in β ladder)trans-134.4130.6173.7-179.767.8000110.7N1334 H1365H1295-N1334 CarbonylContact C-O 3.59Å; H1295-N1334 WeakPolarHBondContact CA-O 3.42Å; H1295-N1334 PolarHBondContact ND1-O 2.78Å; H1295-H1365 HydrophobicContact CB-CB 4.48Å; H1295-H1365 PolarHBondContact N-O 3.44Å; H1295-H1365 PolarHBondContact O-N 2.77Å
1296I86.4Confident72.5Confident6 Ų667.5 Ų67.53%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-104.7120.7-178.1-52.9-173.4000109.1F1294 N1334 L1346 C1362 I1364F1294-I1296 HydrophobicContact CD2-CD1 4.29Å; F1294-I1296 HydrophobicContact CD2-CG1 3.93Å; F1294-I1296 HydrophobicContact CE2-CD1 4.01Å; F1294-I1296 HydrophobicContact CE2-CG1 4.07Å; I1296-N1334 PolarHBondContact N-O 2.79Å; I1296-L1346 HydrophobicContact CD1-CD1 3.45Å; I1296-L1346 VanDerWaalsContact CD1-CD1 3.45Å; I1296-L1346 HydrophobicContact CD1-CD2 3.26Å; I1296-L1346 HydrophobicContact CD1-CG 3.97Å; I1296-C1362 HydrophobicContact CG2-CB 4.41Å; I1296-I1364 HydrophobicContact CG1-CG1 4.36Å
1297S84Confident70Confident20 Ų2074.7 Ų74.714%0.1436%0.363CS..PPolyproline II helixtrans-68.3151.6174.357.30000111.9Y1363S1297-Y1363 PolarHBondContact N-O 2.91Å; S1297-Y1363 WeakPolarHBondContact OG-CA 3.34Å; S1297-Y1363 WeakPolarHBondContact OG-CB 3.44Å; S1297-Y1363 PolarHBondContact OG-N 3.47Å; S1297-Y1363 PolarHBondContact OG-O 3.01Å
1298P78.4Confident67.8Low112 Ų11282 Ų8273%0.72740%0.399SS*.PPolyproline II helixtrans-55.2144171.2-23.133.2000111.7L1300P1298-L1300 PolarHBondContact O-N 3.3Å
1299L76.2Confident65.6Low53 Ų5389.2 Ų89.228%0.27744%0.437SS..PPolyproline II helixtrans-56123.6178.8-68.2165000110.8L1329 W1348 A1360 C1362 L1388L1299-L1329 HydrophobicContact CD1-CB 4.34Å; L1299-L1329 HydrophobicContact CD1-CD2 4.33Å; L1299-L1329 HydrophobicContact CD1-CG 4.08Å; L1299-L1329 WeakPolarHBondContact CD1-O 3.35Å; L1299-W1348 HydrophobicContact CD1-CZ3 4.17Å; L1299-W1348 HydrophobicContact CD2-CH2 4.1Å; L1299-W1348 HydrophobicContact CD2-CZ3 3.93Å; L1299-W1348 HydrophobicContact CG-CZ3 4.27Å; L1299-A1360 HydrophobicContact CD2-CB 3.93Å; L1299-C1362 HydrophobicContact CD2-CB 4.03Å; L1299-L1388 HydrophobicContact CD2-CD1 3.62Å
1300L71.3Confident63.4Low83 Ų8394.2 Ų94.244%0.43546%0.456SS..BIsolated β-bridgetrans-72137.4174.3-74117.9000110.3P1298 Y1361 Y1363P1298-L1300 PolarHBondContact O-N 3.3Å; L1300-Y1361 PolarHBondContact N-O 3.35Å; L1300-Y1363 HydrophobicContact CD1-CD2 3.76Å; L1300-Y1363 HydrophobicContact CD1-CE2 3.61Å
1301K55.9Low60.6Low163 Ų163100.5 Ų100.571%0.70949%0.486SS*.PPolyproline II helixtrans-67.3151.1-178.4-91.3-176.7176.5178.50112.7L1303K1301-L1303 PolarHBondContact O-N 3.08Å
1302W48.1Very low57.9Low122 Ų122104.1 Ų104.146%0.46251%0.512SS..  trans-44.5116.2-179.5-65.71.9000114.2K1356 Y1358W1302-K1356 HydrophobicContact CH2-CD 4.31Å; W1302-Y1358 AromaticContact CZ2-CD1 3.74Å; W1302-Y1358 HydrophobicContact CZ2-CD1 3.74Å; W1302-Y1358 HydrophobicContact CZ2-CE1 4.14Å
1303L39.9Very low55.1Low127 Ų127113.7 Ų113.767%0.66555%0.554SS**  trans-96.8115.6150.2-87.794.4000108K1301 R1305K1301-L1303 PolarHBondContact O-N 3.08Å; L1303-R1305 PolarHBondContact O-N 2.79Å
1304P38.8Very low52.3Low85 Ų85120.6 Ų120.655%0.55258%0.583SS**  trans-59.2128.3160.9-15.929.3000108.7E1306 Q1307P1304-E1306 PolarHBondContact O-N 2.81Å; P1304-Q1307 PolarHBondContact O-N 3.23Å
1305R39.6Very low49.3Very low185 Ų185126.2 Ų126.270%0.69862%0.623SS**G310 helixtrans-53-24.7-179.9-79.2-177.6177.9-166.7-1.8113.5L1303 Q1307 M1308 E1387L1303-R1305 PolarHBondContact O-N 2.79Å; R1305-Q1307 PolarHBondContact O-N 2.9Å; R1305-Q1307 VanDerWaalsContact O-N 3.11Å; R1305-M1308 PolarHBondContact O-N 3.34Å; R1305-E1387 IonicContact NH2-OE1 2.69Å
1306E41.7Very low46.4Very low182 Ų182131.2 Ų131.285%0.8565%0.646SS**G310 helixtrans-67.6-7-177.6-65.1-177.8170.900115.3P1304P1304-E1306 PolarHBondContact O-N 2.81Å
1307Q36.5Very low43.6Very low152 Ų152136.1 Ų136.171%0.7168%0.679SS**G310 helixtrans-11511.9178.7-72.2-170.1-4.100115.5P1304 R1305 D1309P1304-Q1307 PolarHBondContact O-N 3.23Å; R1305-Q1307 PolarHBondContact O-N 2.9Å; R1305-Q1307 VanDerWaalsContact O-N 3.11Å; Q1307-D1309 VanDerWaalsContact C-N 3.25Å
1308M34.5Very low40.9Very low159 Ų159142.3 Ų142.378%0.78371%0.71SS**SBendtrans-73.7-18.3164.5-92.1-158.670.400113.1R1305R1305-M1308 PolarHBondContact O-N 3.34Å
1309D38.6Very low38.6Very low151 Ų151145.1 Ų145.181%0.80771%0.714SS**SBendtrans-92-1.6-176-77.2-16.6000115.3Q1307Q1307-D1309 VanDerWaalsContact C-N 3.25Å
1310K34.3Very low36.5Very low186 Ų186151.2 Ų151.281%0.80974%0.738SS**  trans-140.992.8-179.8-68.1-174.2-178.1166.50112.8
1311E27.5Very low34.6Very low182 Ų182155.2 Ų155.285%0.8575%0.752SS**  trans-41.5146.2160.3-64.9180139.500113.4
1312S28.4Very low33.5Very low102 Ų102152.9 Ų152.971%0.71375%0.747SS**  trans59.184.9149.1-52.10000117.3
1313K28.9Very low33.1Very low200 Ų200150.4 Ų150.487%0.8776%0.759SS**  trans-167.8111139.2-100.6144.8-167.3-178.50112.5
1314K30.9Very low33.5Very low193 Ų193153.5 Ų153.584%0.83976%0.764SS**  trans51.484.6141.6-61.8-177.8177.4-1770116.9E1316K1314-E1316 PolarHBondContact O-N 2.56Å
1315S26.6Very low34.2Very low119 Ų119156.6 Ų156.683%0.83278%0.775SS**  29.483.8115.4-40.50000117.8
1316E28.2Very low35.3Very low173 Ų173151.5 Ų151.581%0.80876%0.762SS**  trans-139.6114.4133.9-75.2-166.8165.800107.5K1314 N1318K1314-E1316 PolarHBondContact O-N 2.56Å; E1316-N1318 PolarHBondContact O-N 2.81Å; E1316-N1318 VanDerWaalsContact O-N 3.12Å
1317P28.3Very low36.6Very low110 Ų110146.4 Ų146.471%0.71474%0.744SS**  trans-73.6106.6-17930.1-30000108E1319P1317-E1319 HydrophobicContact CB-CG 4.27Å; P1317-E1319 PolarHBondContact O-N 3.43Å
1318N26.5Very low38.6Very low150 Ų150141.7 Ų141.780%0.80272%0.723SS**  trans-71.280.4168.8-87.2-32.3000109.1E1316 K1320E1316-N1318 PolarHBondContact O-N 2.81Å; E1316-N1318 VanDerWaalsContact O-N 3.12Å; N1318-K1320 PolarHBondContact O-N 2.91Å
1319E30Very low40.9Very low171 Ų171135.2 Ų135.280%0.79969%0.692SS**  trans-65.421.9174.1-71.3-174.7143.200114.1P1317 F1321P1317-E1319 HydrophobicContact CB-CG 4.27Å; P1317-E1319 PolarHBondContact O-N 3.43Å; E1319-F1321 PolarHBondContact O-N 2.85Å
1320K31.8Very low43.1Very low180 Ų180131.4 Ų131.478%0.78367%0.666SS**THydrogen-bonded Turntrans-905.2-167.1-85.9-173.3175.8178.90117.4N1318N1318-K1320 PolarHBondContact O-N 2.91Å
1321F31.4Very low45.5Very low168 Ų168123.9 Ų123.974%0.73764%0.637SS**THydrogen-bonded Turntrans-121.334.6174-80.8-83.3000114.5E1319E1319-F1321 PolarHBondContact O-N 2.85Å
1322L32.9Very low48.2Very low113 Ų113118.1 Ų118.159%0.59261%0.614SS**  trans-125.533.9166.6-139.388.7000112.7Y1324L1322-Y1324 VanDerWaalsContact C-N 3.3Å; L1322-Y1324 PolarHBondContact O-N 2.98Å
1323G39.1Very low50.9Low71 Ų71116.1 Ų116.173%0.73259%0.594SS**THydrogen-bonded Turntrans-70.4-16.1-17500000115.9
1324Y48.3Very low53.6Low192 Ų192110.9 Ų110.975%0.75358%0.575SS**THydrogen-bonded Turntrans-109.7-3.6-170.6-63.4-70.2000116L1322 L1326L1322-Y1324 VanDerWaalsContact C-N 3.3Å; L1322-Y1324 PolarHBondContact O-N 2.98Å; Y1324-L1326 WeakPolarHBondContact O-CG 3.3Å; Y1324-L1326 PolarHBondContact O-N 2.78Å
1325N53.5Low56.3Low150 Ų150107 Ų10780%0.80256%0.56SS**  trans50.628.4179.8-119.88.4000113.9
1326L62.7Low59.2Low78 Ų78102 Ų10241%0.40853%0.527SS..  trans-106.5122.2-178.5-76.9165000109.4Y1324 I1328 I1353Y1324-L1326 WeakPolarHBondContact O-CG 3.3Å; Y1324-L1326 PolarHBondContact O-N 2.78Å; L1326-I1328 PolarHBondContact O-N 3.49Å; L1326-I1353 HydrophobicContact CB-CD1 4.3Å; L1326-I1353 HydrophobicContact CD1-CD1 4.29Å
1327P69.8Low62.2Low74 Ų7498.7 Ų98.748%0.48151%0.514SS..  trans-69.2114.4175.427.9-32.2000109.9Y1330P1327-Y1330 HydrophobicContact CB-CD1 3.79Å; P1327-Y1330 HydrophobicContact CB-CE1 4.33Å; P1327-Y1330 HydrophobicContact CB-CG 4.42Å; P1327-Y1330 HydrophobicContact CG-CD1 4.15Å; P1327-Y1330 HydrophobicContact CG-CE1 4.19Å
1328I78.4Confident65Low53 Ų5393.5 Ų93.527%0.27248%0.481SS..SBendtrans-78.1-44.6-179.1-64.8171.9000111L1326 F1350 R1351 I1353 Y1358L1326-I1328 PolarHBondContact O-N 3.49Å; I1328-F1350 HydrophobicContact CG2-CD2 4.25Å; I1328-F1350 HydrophobicContact CG2-CE2 3.88Å; I1328-F1350 CarbonylContact O-C 3.57Å; I1328-F1350 WeakPolarHBondContact O-CA 3.43Å; I1328-F1350 WeakPolarHBondContact O-CD2 3.48Å; I1328-R1351 PolarHBondContact O-N 3.2Å; I1328-I1353 HydrophobicContact CD1-CD1 4.49Å; I1328-I1353 HydrophobicContact CG1-CD1 4.11Å; I1328-Y1358 HydrophobicContact CD1-CE1 4.06Å; I1328-Y1358 HydrophobicContact CG2-CD1 3.91Å; I1328-Y1358 HydrophobicContact CG2-CE1 3.73Å
1329L83.2Confident67.9Low23 Ų2392 Ų9212%0.1247%0.467CS..EExtended strand (participates in β ladder)trans-137.4129.4176.8178.766.9000108L1264 L1299 W1348 R1349 F1350 A1360 L1388L1264-L1329 HydrophobicContact CD1-CD1 3.86Å; L1264-L1329 HydrophobicContact CD1-CD2 4.41Å; L1299-L1329 HydrophobicContact CD1-CB 4.34Å; L1299-L1329 HydrophobicContact CD1-CD2 4.33Å; L1299-L1329 HydrophobicContact CD1-CG 4.08Å; L1299-L1329 WeakPolarHBondContact CD1-O 3.35Å; L1329-W1348 HydrophobicContact CD1-CE3 4.27Å; L1329-W1348 HydrophobicContact CG-CE3 4.42Å; L1329-R1349 VanDerWaalsContact CA-O 3.31Å; L1329-R1349 WeakPolarHBondContact CA-O 3.2Å; L1329-F1350 HydrophobicContact CB-CD2 4.25Å; L1329-F1350 HydrophobicContact CD1-CB 3.96Å; L1329-F1350 HydrophobicContact CD1-CD2 4.27Å; L1329-F1350 HydrophobicContact CD1-CG 4.46Å; L1329-A1360 HydrophobicContact CD2-CB 4.27Å; L1329-L1388 HydrophobicContact CD2-CB 4.26Å; L1329-L1388 HydrophobicContact CD2-CD1 4.5Å
1330Y83.6Confident70.4Confident71 Ų7186.1 Ų86.128%0.27844%0.444SS..EExtended strand (participates in β ladder)trans-154.6153.8175.469.1-82.7000112P1327 V1332 R1349P1327-Y1330 HydrophobicContact CB-CD1 3.79Å; P1327-Y1330 HydrophobicContact CB-CE1 4.33Å; P1327-Y1330 HydrophobicContact CB-CG 4.42Å; P1327-Y1330 HydrophobicContact CG-CD1 4.15Å; P1327-Y1330 HydrophobicContact CG-CE1 4.19Å; Y1330-V1332 HydrophobicContact CE2-CG2 4.43Å; Y1330-R1349 HydrophobicContact CD1-CB 4.01Å; Y1330-R1349 HydrophobicContact CE1-CB 3.54Å; Y1330-R1349 HydrophobicContact CE1-CG 4.32Å; Y1330-R1349 HydrophobicContact CE2-CB 4.26Å; Y1330-R1349 HydrophobicContact CE2-CG 4.38Å; Y1330-R1349 PolarHBondContact N-O 3.3Å; Y1330-R1349 VanDerWaalsContact N-O 3.08Å; Y1330-R1349 PolarHBondContact O-N 2.94Å; Y1330-R1349 PolarHBondContact OH-NH1 3.33Å
1331C85.6Confident72.7Confident29 Ų2981.8 Ų81.820%0.19643%0.429CS..EExtended strand (participates in β ladder)trans-86.7134.5173.3-163.70000110Q1333 E1347 W1348C1331-Q1333 PolarHBondContact SG-O 3.44Å; C1331-E1347 PolarHBondContact SG-O 2.9Å; C1331-W1348 HydrophobicContact CB-CD2 4.22Å; C1331-W1348 HydrophobicContact CB-CE3 3.86Å; C1331-W1348 HydrophobicContact CB-CH2 3.73Å; C1331-W1348 HydrophobicContact CB-CZ2 4.1Å; C1331-W1348 HydrophobicContact CB-CZ3 3.6Å
1332V83.6Confident75.2Confident61 Ų6178.1 Ų78.137%0.3741%0.414SS..SBendtrans-73.8-36.7177.1-1780000110.8Y1330 E1347 R1349Y1330-V1332 HydrophobicContact CE2-CG2 4.43Å; V1332-E1347 HydrophobicContact CB-CB 4.01Å; V1332-E1347 HydrophobicContact CG2-CB 4.03Å; V1332-E1347 PolarHBondContact N-O 3.45Å; V1332-R1349 HydrophobicContact CG2-CG 3.78Å
1333Q86Confident77.7Confident60 Ų6074.6 Ų74.628%0.2840%0.397SS..  trans-118.7115.7-176.1-64.2158-38.600110C1331 A1345 L1346C1331-Q1333 PolarHBondContact SG-O 3.44Å; Q1333-A1345 PolarHBondContact OE1-O 3.19Å; Q1333-L1346 HydrophobicContact CB-CD1 4.23Å; Q1333-L1346 VanDerWaalsContact O-CD1 3.31Å; Q1333-L1346 WeakPolarHBondContact O-CD1 3.46Å
1334N84.4Confident80Confident90 Ų9073.5 Ų73.548%0.48137%0.372SS..SBendtrans-99.7-3-177.164.3-12.4000114.3H1295 I1296H1295-N1334 CarbonylContact C-O 3.59Å; H1295-N1334 WeakPolarHBondContact CA-O 3.42Å; H1295-N1334 PolarHBondContact ND1-O 2.78Å; I1296-N1334 PolarHBondContact N-O 2.79Å
1335Q89.1Confident81.7Confident110 Ų11065.1 Ų65.151%0.51434%0.342SS..EExtended strand (participates in β ladder)trans-156156.7174.962.3-177.2-8.200110.7F1294F1294-Q1335 WeakPolarHBondContact O-CA 3.41Å; F1294-Q1335 WeakPolarHBondContact O-CB 3.41Å
1336G87.9Confident83.3Confident14 Ų1458 Ų5814%0.14430%0.304CS..EExtended strand (participates in β ladder)trans-174.4174177.300000113.7F1294F1294-G1336 WeakPolarHBondContact CD1-O 3.25Å; F1294-G1336 VanDerWaalsContact CE1-C 3.43Å; F1294-G1336 PolarHBondContact N-O 2.79Å; F1294-G1336 PolarHBondContact O-N 3.02Å; F1294-G1336 VanDerWaalsContact O-N 3.14Å
1337L90.1Very high84.4Confident104 Ų10456.4 Ų56.455%0.54529%0.294SS..EExtended strand (participates in β ladder)trans-115.5131.6177-70.7162.4000109.1T1291 I1292 H1293 A1369T1291-L1337 HydrophobicContact CG2-CD2 4.29Å; I1292-L1337 CarbonylContact O-C 3.47Å; I1292-L1337 WeakPolarHBondContact O-CA 3.46Å; H1293-L1337 HydrophobicContact CB-CD2 3.86Å; L1337-A1369 HydrophobicContact CD2-CB 3.65Å
1338I87.5Confident85.2Confident2 Ų253 Ų531%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-120.8112.9178.2-43-179.4000108.1L1255 L1284 N1286 T1291 I1292 F1294 E1342 Y1344L1255-I1338 HydrophobicContact CD1-CD1 3.75Å; L1284-I1338 HydrophobicContact CB-CD1 3.82Å; L1284-I1338 HydrophobicContact CD1-CD1 4.27Å; N1286-I1338 HydrophobicContact CB-CB 4.08Å; N1286-I1338 HydrophobicContact CB-CG2 3.49Å; N1286-I1338 VanDerWaalsContact CB-CG2 3.49Å; N1286-I1338 PolarHBondContact ND2-O 3.21Å; T1291-I1338 WeakPolarHBondContact CA-O 3.41Å; I1292-I1338 PolarHBondContact N-O 3.2Å; I1292-I1338 PolarHBondContact O-N 2.82Å; F1294-I1338 HydrophobicContact CD1-CD1 3.72Å; F1294-I1338 HydrophobicContact CD1-CG1 3.72Å; F1294-I1338 HydrophobicContact CE1-CD1 3.97Å; F1294-I1338 HydrophobicContact CE1-CG1 3.83Å; I1338-E1342 HydrophobicContact CG2-CB 4.46Å; I1338-Y1344 HydrophobicContact CD1-CG 4.44Å; I1338-Y1344 HydrophobicContact CG1-CD2 4.32Å; I1338-Y1344 HydrophobicContact CG1-CG 4.22Å
1339K87.1Confident85.4Confident119 Ų11952.4 Ų52.452%0.51727%0.266SS..  trans-71.1167.1179.3-61.3-178.6-173.3163.80111.5N1286 N1341 E1342N1286-K1339 PolarHBondContact ND2-O 3.28Å; N1286-K1339 VanDerWaalsContact ND2-O 3.13Å; K1339-N1341 PolarHBondContact O-N 2.96Å; K1339-E1342 HydrophobicContact CB-CB 4.38Å; K1339-E1342 HydrophobicContact CB-CG 4.08Å; K1339-E1342 WeakPolarHBondContact CB-OE2 3.31Å; K1339-E1342 PolarHBondContact O-N 2.81Å
1340P83.5Confident85.5Confident47 Ų4751.3 Ų51.331%0.30526%0.26SS..THydrogen-bonded Turntrans-54.6133176-29.939000113.3S1288 L1289 E1342S1288-P1340 VanDerWaalsContact O-CA 3.28Å; S1288-P1340 WeakPolarHBondContact O-CA 3.41Å; S1288-P1340 WeakPolarHBondContact O-CB 3.44Å; L1289-P1340 VanDerWaalsContact C-CG 3.45Å; L1289-P1340 WeakPolarHBondContact O-CG 3.09Å; P1340-E1342 PolarHBondContact O-N 3.24Å; P1340-E1342 VanDerWaalsContact O-N 3.12Å
1341N79.5Confident85.3Confident88 Ų8851.1 Ų51.147%0.47126%0.259SS..THydrogen-bonded Turntrans57.614.9-178.9-64.8-38000116N1286 P1287 K1339N1286-N1341 WeakPolarHBondContact O-CA 3.49Å; N1286-N1341 PolarHBondContact O-N 3.43Å; P1287-N1341 PolarHBondContact O-OD1 2.8Å; K1339-N1341 PolarHBondContact O-N 2.96Å
1342E83.8Confident85.1Confident91 Ų9150.3 Ų50.343%0.42525%0.253SS..  trans-95.3160.7174.9-72-172.4176.700112.2N1286 I1338 K1339 P1340N1286-E1342 PolarHBondContact N-O 3.1Å; I1338-E1342 HydrophobicContact CG2-CB 4.46Å; K1339-E1342 HydrophobicContact CB-CB 4.38Å; K1339-E1342 HydrophobicContact CB-CG 4.08Å; K1339-E1342 WeakPolarHBondContact CB-OE2 3.31Å; K1339-E1342 PolarHBondContact O-N 2.81Å; P1340-E1342 PolarHBondContact O-N 3.24Å; P1340-E1342 VanDerWaalsContact O-N 3.12Å
1343V84.8Confident84.7Confident39 Ų3950.8 Ų50.824%0.23625%0.253CS..EExtended strand (participates in β ladder)trans-114.9134.9175.2-179.20000108.8K1283 L1284 K1285 F1514K1283-V1343 HydrophobicContact CB-CG1 3.76Å; K1283-V1343 HydrophobicContact CD-CG1 4.27Å; K1283-V1343 HydrophobicContact CG-CG1 4.16Å; L1284-V1343 CarbonylContact O-C 3.28Å; L1284-V1343 WeakPolarHBondContact O-CA 3.46Å; K1285-V1343 HydrophobicContact CB-CG2 4.28Å; K1285-V1343 HydrophobicContact CG-CG2 4.1Å; V1343-F1514 HydrophobicContact CG1-CZ 4.26Å
1344Y87.1Confident84.3Confident49 Ų4952 Ų5219%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-109.9126.7175.8-172.4-77.9000110.1L1284 F1294 I1338 L1346L1284-Y1344 HydrophobicContact CD1-CD1 4.38Å; L1284-Y1344 PolarHBondContact N-O 3.44Å; L1284-Y1344 PolarHBondContact O-N 2.83Å; F1294-Y1344 AromaticContact CE1-CD1 3.93Å; F1294-Y1344 HydrophobicContact CE1-CD1 3.93Å; F1294-Y1344 HydrophobicContact CE1-CD2 4.1Å; F1294-Y1344 HydrophobicContact CE1-CE1 4.02Å; F1294-Y1344 HydrophobicContact CE1-CE2 4.15Å; F1294-Y1344 AromaticContact CE1-CG 3.99Å; F1294-Y1344 HydrophobicContact CE1-CG 3.99Å; F1294-Y1344 AromaticContact CZ-CD1 3.76Å; F1294-Y1344 HydrophobicContact CZ-CD1 3.76Å; F1294-Y1344 AromaticContact CZ-CE1 3.5Å; F1294-Y1344 HydrophobicContact CZ-CE1 3.5Å; F1294-Y1344 HydrophobicContact CZ-CE2 4.31Å; F1294-Y1344 HydrophobicContact CZ-CG 4.29Å; F1294-Y1344 AromaticContact CZ-CZ 3.79Å; I1338-Y1344 HydrophobicContact CD1-CG 4.44Å; I1338-Y1344 HydrophobicContact CG1-CD2 4.32Å; I1338-Y1344 HydrophobicContact CG1-CG 4.22Å; Y1344-L1346 HydrophobicContact CE1-CD1 4.32Å; Y1344-L1346 PolarHBondContact O-N 3.43Å
1345A84.5Confident83.9Confident16 Ų1650.6 Ų50.613%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-86.2107.6175.600000110.5Q1333 F1514Q1333-A1345 PolarHBondContact OE1-O 3.19Å; A1345-F1514 HydrophobicContact CB-CD1 4.24Å; A1345-F1514 HydrophobicContact CB-CD2 4.48Å; A1345-F1514 HydrophobicContact CB-CE1 3.7Å; A1345-F1514 HydrophobicContact CB-CE2 3.98Å; A1345-F1514 HydrophobicContact CB-CZ 3.57Å
1346L86.9Confident83Confident0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-88.7122.1175.4-171.275.5000110.9M1282 L1284 F1294 I1296 Q1333 Y1344 W1348M1282-L1346 HydrophobicContact CB-CB 4.37Å; M1282-L1346 HydrophobicContact CE-CB 4.45Å; M1282-L1346 HydrophobicContact CE-CD2 3.47Å; M1282-L1346 VanDerWaalsContact CE-CD2 3.47Å; M1282-L1346 PolarHBondContact N-O 3.08Å; M1282-L1346 WeakPolarHBondContact O-CB 3.3Å; M1282-L1346 PolarHBondContact O-N 3.26Å; L1284-L1346 HydrophobicContact CD1-CB 4.24Å; L1284-L1346 HydrophobicContact CD1-CD2 4.49Å; L1284-L1346 HydrophobicContact CG-CB 4.27Å; F1294-L1346 HydrophobicContact CE2-CD1 4.11Å; F1294-L1346 HydrophobicContact CZ-CD1 4.38Å; I1296-L1346 HydrophobicContact CD1-CD1 3.45Å; I1296-L1346 VanDerWaalsContact CD1-CD1 3.45Å; I1296-L1346 HydrophobicContact CD1-CD2 3.26Å; I1296-L1346 HydrophobicContact CD1-CG 3.97Å; Q1333-L1346 HydrophobicContact CB-CD1 4.23Å; Q1333-L1346 VanDerWaalsContact O-CD1 3.31Å; Q1333-L1346 WeakPolarHBondContact O-CD1 3.46Å; Y1344-L1346 HydrophobicContact CE1-CD1 4.32Å; Y1344-L1346 PolarHBondContact O-N 3.43Å; L1346-W1348 HydrophobicContact CD2-CZ2 3.93Å
1347E86.3Confident82.3Confident44 Ų4452.2 Ų52.221%0.20627%0.267CS..EExtended strand (participates in β ladder)trans-95.2123-174.6-73.9-172.6167.800113.8L1279 F1280 Q1281 C1331 V1332L1279-E1347 HydrophobicContact CD1-CB 3.89Å; L1279-E1347 HydrophobicContact CD1-CG 4.14Å; F1280-E1347 WeakPolarHBondContact O-CA 3.44Å; Q1281-E1347 HydrophobicContact CG-CG 4.2Å; C1331-E1347 PolarHBondContact SG-O 2.9Å; V1332-E1347 HydrophobicContact CB-CB 4.01Å; V1332-E1347 HydrophobicContact CG2-CB 4.03Å; V1332-E1347 PolarHBondContact N-O 3.45Å
1348W85.8Confident81.6Confident2 Ų247.8 Ų47.81%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-111.1136.8175.8-68.793.7000111.1L1264 L1279 F1280 L1299 L1329 C1331 L1346 L1386 L1388L1264-W1348 HydrophobicContact CD2-CB 4.42Å; L1279-W1348 CarbonylContact C-O 3.5Å; L1279-W1348 WeakPolarHBondContact CA-O 3.41Å; F1280-W1348 HydrophobicContact CB-CB 4.23Å; F1280-W1348 PolarHBondContact N-O 2.91Å; F1280-W1348 PolarHBondContact O-N 2.92Å; L1299-W1348 HydrophobicContact CD1-CZ3 4.17Å; L1299-W1348 HydrophobicContact CD2-CH2 4.1Å; L1299-W1348 HydrophobicContact CD2-CZ3 3.93Å; L1299-W1348 HydrophobicContact CG-CZ3 4.27Å; L1329-W1348 HydrophobicContact CD1-CE3 4.27Å; L1329-W1348 HydrophobicContact CG-CE3 4.42Å; C1331-W1348 HydrophobicContact CB-CD2 4.22Å; C1331-W1348 HydrophobicContact CB-CE3 3.86Å; C1331-W1348 HydrophobicContact CB-CH2 3.73Å; C1331-W1348 HydrophobicContact CB-CZ2 4.1Å; C1331-W1348 HydrophobicContact CB-CZ3 3.6Å; L1346-W1348 HydrophobicContact CD2-CZ2 3.93Å; W1348-L1386 HydrophobicContact CZ2-CD2 4.2Å; W1348-L1388 HydrophobicContact CD2-CD1 4.44Å; W1348-L1388 HydrophobicContact CE3-CD1 4.15Å; W1348-L1388 HydrophobicContact CH2-CD1 3.4Å; W1348-L1388 VanDerWaalsContact CH2-CD1 3.4Å; W1348-L1388 HydrophobicContact CZ2-CD1 3.72Å; W1348-L1388 HydrophobicContact CZ2-CD2 4.47Å; W1348-L1388 HydrophobicContact CZ3-CD1 3.63Å
1349R84.1Confident81.2Confident41 Ų4150 Ų5016%0.15526%0.257CS..EExtended strand (participates in β ladder)trans-110.3126173.5-70.6-125.7177.71032.2110.5L1276 Y1278 L1279 L1329 Y1330 V1332L1276-R1349 WeakPolarHBondContact O-CD 3.12Å; Y1278-R1349 WeakPolarHBondContact O-CA 3.47Å; L1279-R1349 HydrophobicContact CD1-CG 4.12Å; L1329-R1349 VanDerWaalsContact CA-O 3.31Å; L1329-R1349 WeakPolarHBondContact CA-O 3.2Å; Y1330-R1349 HydrophobicContact CD1-CB 4.01Å; Y1330-R1349 HydrophobicContact CE1-CB 3.54Å; Y1330-R1349 HydrophobicContact CE1-CG 4.32Å; Y1330-R1349 HydrophobicContact CE2-CB 4.26Å; Y1330-R1349 HydrophobicContact CE2-CG 4.38Å; Y1330-R1349 PolarHBondContact N-O 3.3Å; Y1330-R1349 VanDerWaalsContact N-O 3.08Å; Y1330-R1349 PolarHBondContact O-N 2.94Å; Y1330-R1349 PolarHBondContact OH-NH1 3.33Å; V1332-R1349 HydrophobicContact CG2-CG 3.78Å
1350F84.1Confident80.9Confident0 Ų044.9 Ų44.90%024%0.237CC..EExtended strand (participates in β ladder)trans-122.8128.3177.2179.8-128.7000111.3T1267 Y1278 F1280 I1328 L1329 P1352 Y1358 A1390T1267-F1350 HydrophobicContact CG2-CD1 4.31Å; T1267-F1350 WeakPolarHBondContact OG1-CD1 3.11Å; Y1278-F1350 PolarHBondContact N-O 3.49Å; Y1278-F1350 PolarHBondContact O-N 3.07Å; F1280-F1350 HydrophobicContact CD2-CB 4.13Å; F1280-F1350 HydrophobicContact CE2-CB 3.77Å; F1280-F1350 HydrophobicContact CE2-CD1 4.38Å; I1328-F1350 HydrophobicContact CG2-CD2 4.25Å; I1328-F1350 HydrophobicContact CG2-CE2 3.88Å; I1328-F1350 CarbonylContact O-C 3.57Å; I1328-F1350 WeakPolarHBondContact O-CA 3.43Å; I1328-F1350 WeakPolarHBondContact O-CD2 3.48Å; L1329-F1350 HydrophobicContact CB-CD2 4.25Å; L1329-F1350 HydrophobicContact CD1-CB 3.96Å; L1329-F1350 HydrophobicContact CD1-CD2 4.27Å; L1329-F1350 HydrophobicContact CD1-CG 4.46Å; F1350-P1352 HydrophobicContact CD1-CG 4.38Å; F1350-P1352 HydrophobicContact CE1-CB 3.95Å; F1350-P1352 HydrophobicContact CE1-CG 3.84Å; F1350-P1352 HydrophobicContact CE2-CB 4.23Å; F1350-P1352 HydrophobicContact CZ-CB 3.61Å; F1350-P1352 HydrophobicContact CZ-CG 4.04Å; F1350-Y1358 AromaticContact CE2-CD2 3.73Å; F1350-Y1358 HydrophobicContact CE2-CD2 3.73Å; F1350-Y1358 HydrophobicContact CE2-CE2 4.09Å; F1350-Y1358 HydrophobicContact CE2-CG 4.13Å; F1350-Y1358 AromaticContact CZ-CD2 3.58Å; F1350-Y1358 HydrophobicContact CZ-CD2 3.58Å; F1350-Y1358 AromaticContact CZ-CE2 3.86Å; F1350-Y1358 HydrophobicContact CZ-CE2 3.86Å; F1350-Y1358 HydrophobicContact CZ-CG 4.4Å; F1350-A1390 HydrophobicContact CD1-CB 3.87Å; F1350-A1390 HydrophobicContact CD2-CB 3.67Å; F1350-A1390 HydrophobicContact CE1-CB 3.67Å; F1350-A1390 HydrophobicContact CE2-CB 3.47Å; F1350-A1390 VanDerWaalsContact CE2-CB 3.47Å; F1350-A1390 HydrophobicContact CG-CB 3.88Å; F1350-A1390 HydrophobicContact CZ-CB 3.46Å; F1350-A1390 VanDerWaalsContact CZ-CB 3.46Å
1351R80.5Confident80.9Confident68 Ų6845.8 Ų45.826%0.25724%0.235SC..  trans-132.782.9-177-174.5-174.9170.1155.55.4109Y1274 R1275 I1328 I1353Y1274-R1351 PolarHBondContact O-NH1 3Å; Y1274-R1351 PolarHBondContact O-NH2 2.91Å; R1275-R1351 PolarHBondContact O-NH1 2.74Å; I1328-R1351 PolarHBondContact O-N 3.2Å; R1351-I1353 PolarHBondContact O-N 2.86Å
1352P80.5Confident81.2Confident11 Ų1141.6 Ų41.67%0.07121%0.212CC..  trans-67.1132.4178.126.4-32.4000111.1T1267 I1269 F1350 Y1358T1267-P1352 HydrophobicContact CG2-CG 3.84Å; I1269-P1352 HydrophobicContact CG1-CB 4.29Å; F1350-P1352 HydrophobicContact CD1-CG 4.38Å; F1350-P1352 HydrophobicContact CE1-CB 3.95Å; F1350-P1352 HydrophobicContact CE1-CG 3.84Å; F1350-P1352 HydrophobicContact CE2-CB 4.23Å; F1350-P1352 HydrophobicContact CZ-CB 3.61Å; F1350-P1352 HydrophobicContact CZ-CG 4.04Å; P1352-Y1358 HydrophobicContact CB-CE2 4.33Å
1353I75.7Confident81.4Confident72 Ų7242 Ų4237%0.36921%0.21SC..SBendtrans-104.8-28.2174.2-52.1173000110.2L1326 I1328 R1351L1326-I1353 HydrophobicContact CB-CD1 4.3Å; L1326-I1353 HydrophobicContact CD1-CD1 4.29Å; I1328-I1353 HydrophobicContact CD1-CD1 4.49Å; I1328-I1353 HydrophobicContact CG1-CD1 4.11Å; R1351-I1353 PolarHBondContact O-N 2.86Å
1354E76.5Confident81.5Confident85 Ų8540.1 Ų40.140%0.39720%0.199SC..SBendtrans-122.3150.1179-60175.8178.300111.1I1269 K1356 Y1358I1269-E1354 VanDerWaalsContact CD1-C 3.42Å; E1354-K1356 VanDerWaalsContact C-N 3.33Å; E1354-K1356 HydrophobicContact CB-CB 4.44Å; E1354-K1356 PolarHBondContact O-N 3.39Å; E1354-Y1358 PolarHBondContact N-OH 2.8Å; E1354-Y1358 PolarHBondContact O-OH 3.34Å; E1354-Y1358 VanDerWaalsContact O-OH 3.08Å
1355A75.8Confident81.5Confident60 Ų6040.9 Ų40.950%0.49621%0.205SC..SBendtrans-7584.2175.100000109.5I1269 G1392 D1394I1269-A1355 VanDerWaalsContact CD1-CA 3.4Å; I1269-A1355 HydrophobicContact CD1-CB 3.51Å; A1355-G1392 CarbonylContact C-O 3.57Å; A1355-G1392 VanDerWaalsContact C-O 3.29Å; A1355-G1392 VanDerWaalsContact CA-O 3.25Å; A1355-G1392 WeakPolarHBondContact CA-O 3.35Å; A1355-D1394 HydrophobicContact CB-CB 4.36Å
1356K71.7Confident81.6Confident84 Ų8440.2 Ų40.237%0.36520%0.199SC..SBendtrans-154151-168.9-172.8178.1179.7179.40111.4W1302 E1354 Y1358 G1392W1302-K1356 HydrophobicContact CH2-CD 4.31Å; E1354-K1356 VanDerWaalsContact C-N 3.33Å; E1354-K1356 HydrophobicContact CB-CB 4.44Å; E1354-K1356 PolarHBondContact O-N 3.39Å; K1356-Y1358 HydrophobicContact CB-CE2 4.13Å; K1356-Y1358 WeakPolarHBondContact O-CD2 3.29Å; K1356-Y1358 WeakPolarHBondContact O-CE2 3.33Å; K1356-G1392 PolarHBondContact N-O 3.14Å; K1356-G1392 PolarHBondContact O-N 2.58Å
1357T71.7Confident81.4Confident74 Ų7443.8 Ų43.845%0.45422%0.216SC..EExtended strand (participates in β ladder)trans-82.6118.2164.4-55.20000110.5I1389 A1390 I1391T1357-I1389 HydrophobicContact CG2-CG2 3.52Å; T1357-A1390 CarbonylContact C-O 3.59Å; T1357-I1391 HydrophobicContact CG2-CG1 4.04Å
1358Y77.1Confident81.1Confident12 Ų1243 Ų435%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-95.8127.2175.7-58.9-100.1000108.9W1302 I1328 F1350 P1352 E1354 K1356 I1389 A1390W1302-Y1358 AromaticContact CZ2-CD1 3.74Å; W1302-Y1358 HydrophobicContact CZ2-CD1 3.74Å; W1302-Y1358 HydrophobicContact CZ2-CE1 4.14Å; I1328-Y1358 HydrophobicContact CD1-CE1 4.06Å; I1328-Y1358 HydrophobicContact CG2-CD1 3.91Å; I1328-Y1358 HydrophobicContact CG2-CE1 3.73Å; F1350-Y1358 AromaticContact CE2-CD2 3.73Å; F1350-Y1358 HydrophobicContact CE2-CD2 3.73Å; F1350-Y1358 HydrophobicContact CE2-CE2 4.09Å; F1350-Y1358 HydrophobicContact CE2-CG 4.13Å; F1350-Y1358 AromaticContact CZ-CD2 3.58Å; F1350-Y1358 HydrophobicContact CZ-CD2 3.58Å; F1350-Y1358 AromaticContact CZ-CE2 3.86Å; F1350-Y1358 HydrophobicContact CZ-CE2 3.86Å; F1350-Y1358 HydrophobicContact CZ-CG 4.4Å; P1352-Y1358 HydrophobicContact CB-CE2 4.33Å; E1354-Y1358 PolarHBondContact N-OH 2.8Å; E1354-Y1358 PolarHBondContact O-OH 3.34Å; E1354-Y1358 VanDerWaalsContact O-OH 3.08Å; K1356-Y1358 HydrophobicContact CB-CE2 4.13Å; K1356-Y1358 WeakPolarHBondContact O-CD2 3.29Å; K1356-Y1358 WeakPolarHBondContact O-CE2 3.33Å; Y1358-I1389 CarbonylContact O-C 3.5Å; Y1358-I1389 VanDerWaalsContact O-CA 3.31Å; Y1358-I1389 WeakPolarHBondContact O-CA 3.36Å; Y1358-A1390 WeakPolarHBondContact CD2-O 3.38Å; Y1358-A1390 PolarHBondContact N-O 3.44Å; Y1358-A1390 PolarHBondContact O-N 2.97Å
1359T78.4Confident80.5Confident49 Ų4945 Ų4530%0.30123%0.23SC..EExtended strand (participates in β ladder)trans-116.5128.9172.754.10000109.2L1388 I1389T1359-L1388 CarbonylContact C-O 3.57Å; T1359-L1388 WeakPolarHBondContact CA-O 3.34Å; T1359-I1389 HydrophobicContact CG2-CD1 4.17Å; T1359-I1389 HydrophobicContact CG2-CG1 4.11Å; T1359-I1389 HydrophobicContact CG2-CG2 4.49Å
1360A80.6Confident79.8Confident11 Ų1148.2 Ų48.29%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-136.5157.8179.500000110.9L1299 L1329 L1388L1299-A1360 HydrophobicContact CD2-CB 3.93Å; L1329-A1360 HydrophobicContact CD2-CB 4.27Å; A1360-L1388 HydrophobicContact CB-CB 4.45Å; A1360-L1388 PolarHBondContact N-O 2.87Å; A1360-L1388 PolarHBondContact O-N 3.18Å
1361Y83.6Confident78.7Confident66 Ų6649.7 Ų49.726%0.25926%0.26SS..EExtended strand (participates in β ladder)trans-128.6139.8-179.8-60.7-84.6000110.2L1300 L1385 L1386 E1387L1300-Y1361 PolarHBondContact N-O 3.35Å; Y1361-L1385 HydrophobicContact CD1-CD1 4.39Å; Y1361-L1386 CarbonylContact C-O 3.58Å; Y1361-L1386 VanDerWaalsContact CA-O 3.29Å; Y1361-L1386 WeakPolarHBondContact CA-O 3.4Å; Y1361-E1387 HydrophobicContact CD1-CB 3.85Å; Y1361-E1387 HydrophobicContact CD1-CG 4.06Å; Y1361-E1387 HydrophobicContact CE1-CB 3.62Å; Y1361-E1387 HydrophobicContact CE1-CG 3.43Å; Y1361-E1387 VanDerWaalsContact CE1-CG 3.43Å; Y1361-E1387 PolarHBondContact OH-OE1 3.45Å
1362C85.8Confident77.3Confident0 Ų050.1 Ų50.10%027%0.273CS..EExtended strand (participates in β ladder)trans-143.4148.8169.459.90000111.4I1296 L1299 L1386I1296-C1362 HydrophobicContact CG2-CB 4.41Å; L1299-C1362 HydrophobicContact CD2-CB 4.03Å; C1362-L1386 PolarHBondContact N-O 3.21Å; C1362-L1386 WeakPolarHBondContact O-CB 3.39Å; C1362-L1386 PolarHBondContact O-N 3.06Å
1363Y87.8Confident76Confident98 Ų9855.3 Ų55.338%0.38431%0.307SS..EExtended strand (participates in β ladder)trans-91.1135.4170.6-61.5-78.6000111.6S1297 L1300 T1383 I1384 L1385S1297-Y1363 PolarHBondContact N-O 2.91Å; S1297-Y1363 WeakPolarHBondContact OG-CA 3.34Å; S1297-Y1363 WeakPolarHBondContact OG-CB 3.44Å; S1297-Y1363 PolarHBondContact OG-N 3.47Å; S1297-Y1363 PolarHBondContact OG-O 3.01Å; L1300-Y1363 HydrophobicContact CD1-CD2 3.76Å; L1300-Y1363 HydrophobicContact CD1-CE2 3.61Å; Y1363-T1383 HydrophobicContact CD1-CG2 3.71Å; Y1363-T1383 HydrophobicContact CG-CG2 4.06Å; Y1363-I1384 CarbonylContact C-O 3.59Å; Y1363-I1384 VanDerWaalsContact CA-O 3.31Å; Y1363-I1384 WeakPolarHBondContact CA-O 3.34Å; Y1363-L1385 HydrophobicContact CD1-CB 4.06Å; Y1363-L1385 HydrophobicContact CD1-CD1 3.97Å; Y1363-L1385 HydrophobicContact CE1-CB 3.91Å; Y1363-L1385 HydrophobicContact CE1-CD1 3.67Å; Y1363-L1385 HydrophobicContact CE1-CG 4.27Å; Y1363-L1385 HydrophobicContact CE2-CD1 4.43Å; Y1363-L1385 HydrophobicContact CG-CD1 4.5Å
1364I87.3Confident74.9Confident0 Ų058.1 Ų58.10%033%0.327CS..EExtended strand (participates in β ladder)trans-104.7109.8167.7-54.6171.8000107.2L1255 L1257 M1282 L1284 F1294 I1296 I1366 T1383 I1384 L1386L1255-I1364 HydrophobicContact CD2-CG2 3.79Å; L1257-I1364 HydrophobicContact CD1-CD1 4.1Å; L1257-I1364 HydrophobicContact CD2-CD1 4.47Å; M1282-I1364 HydrophobicContact CE-CD1 4.36Å; L1284-I1364 HydrophobicContact CD2-CD1 4.48Å; F1294-I1364 HydrophobicContact CB-CG2 4.3Å; I1296-I1364 HydrophobicContact CG1-CG1 4.36Å; I1364-I1366 HydrophobicContact CG2-CG2 4.23Å; I1364-T1383 WeakPolarHBondContact O-CA 3.46Å; I1364-I1384 HydrophobicContact CB-CB 4.4Å; I1364-I1384 PolarHBondContact N-O 3.18Å; I1364-I1384 PolarHBondContact O-N 3.29Å; I1364-L1386 HydrophobicContact CD1-CB 4.46Å; I1364-L1386 HydrophobicContact CD1-CD2 4.39Å
1365H86.7Confident73.5Confident66 Ų6658.1 Ų58.131%0.30633%0.333SS..EExtended strand (participates in β ladder)trans-88.1131.8173.6-61.3-76.9000109.4F1294 H1295 T1383F1294-H1365 CarbonylContact C-O 3.54Å; F1294-H1365 VanDerWaalsContact CA-O 3.23Å; F1294-H1365 WeakPolarHBondContact CA-O 3.47Å; H1295-H1365 HydrophobicContact CB-CB 4.48Å; H1295-H1365 PolarHBondContact N-O 3.44Å; H1295-H1365 PolarHBondContact O-N 2.77Å; H1365-T1383 WeakPolarHBondContact CE1-CG2 3.35Å; H1365-T1383 PolarHBondContact CE1-OG1 3Å; H1365-T1383 VanDerWaalsContact ND1-CG2 3.3Å; H1365-T1383 WeakPolarHBondContact ND1-CG2 3.19Å; H1365-T1383 PolarHBondContact ND1-OG1 3.17Å
1366I86.4Confident72.3Confident2 Ų259.6 Ų59.61%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-120.5141.7176.463171.3000110.6L1255 I1292 H1293 F1294 I1364 S1381 D1382L1255-I1366 HydrophobicContact CB-CD1 3.91Å; L1255-I1366 HydrophobicContact CB-CG2 3.92Å; L1255-I1366 HydrophobicContact CD2-CG2 3.68Å; L1255-I1366 HydrophobicContact CG-CG2 4.41Å; I1292-I1366 HydrophobicContact CG2-CB 3.91Å; I1292-I1366 HydrophobicContact CG2-CG2 3.96Å; H1293-I1366 WeakPolarHBondContact O-CA 3.4Å; F1294-I1366 HydrophobicContact CB-CG2 4.17Å; I1364-I1366 HydrophobicContact CG2-CG2 4.23Å; I1366-S1381 VanDerWaalsContact O-CA 3.27Å; I1366-S1381 WeakPolarHBondContact O-CA 3.41Å; I1366-D1382 HydrophobicContact CD1-CB 3.93Å; I1366-D1382 HydrophobicContact CG1-CB 3.72Å; I1366-D1382 PolarHBondContact N-O 3.11Å; I1366-D1382 PolarHBondContact O-N 3.21Å; I1366-D1382 VanDerWaalsContact O-N 3.08Å
1367M82.9Confident71.1Confident75 Ų7563.1 Ų63.137%0.36937%0.372SS..EExtended strand (participates in β ladder)trans-142.3156.6174.966.2-171.378.900110.2H1293 A1369H1293-M1367 HydrophobicContact CB-CG 3.78Å; H1293-M1367 PolarHBondContact N-O 3.49Å; H1293-M1367 PolarHBondContact ND1-SD 3.19Å; H1293-M1367 PolarHBondContact O-N 3.4Å; M1367-A1369 PolarHBondContact O-N 2.86Å
1368D80.4Confident70Confident26 Ų2665.3 Ų65.314%0.13939%0.39CS..EExtended strand (participates in β ladder)trans-67.7122.5170.6-172.5-9.2000109.9P1253 E1370 A1371P1253-D1368 HydrophobicContact CG-CB 3.76Å; D1368-E1370 VanDerWaalsContact C-N 3.33Å; D1368-E1370 PolarHBondContact OD1-N 3.15Å; D1368-A1371 HydrophobicContact CB-CB 3.82Å
1369A73.4Confident69.2Low44 Ų4467.6 Ų67.636%0.36441%0.405SS..SBendtrans-73.1-26179.500000112.9T1291 H1293 L1337 M1367T1291-A1369 HydrophobicContact CG2-CB 3.89Å; T1291-A1369 WeakPolarHBondContact O-CB 3.48Å; T1291-A1369 PolarHBondContact O-N 2.72Å; H1293-A1369 HydrophobicContact CB-CB 4.08Å; L1337-A1369 HydrophobicContact CD2-CB 3.65Å; M1367-A1369 PolarHBondContact O-N 2.86Å
1370E68.4Low68.7Low109 Ų10968.2 Ų68.251%0.50940%0.403SS..SBendtrans-89.3-10.6-178.3-68174-167.100112.7K1290 D1368 S1372K1290-E1370 IonicContact NZ-OE2 3.06Å; K1290-E1370 PolarHBondContact NZ-OE2 2.93Å; D1368-E1370 VanDerWaalsContact C-N 3.33Å; D1368-E1370 PolarHBondContact OD1-N 3.15Å; E1370-S1372 PolarHBondContact O-N 3.27Å
1371A60.7Low68.3Low32 Ų3272 Ų7226%0.26443%0.428SS..  trans-70.198.2177.200000110D1368 V1379D1368-A1371 HydrophobicContact CB-CB 3.82Å; A1371-V1379 HydrophobicContact CB-CB 4.39Å; A1371-V1379 HydrophobicContact CB-CG1 3.72Å; A1371-V1379 HydrophobicContact CB-CG2 4Å
1372S51.7Low68Low77 Ų7769.9 Ų69.954%0.53842%0.422SS..  trans-62.7126.3169.6-115.20000109.3E1370 V1374 T1375E1370-S1372 PolarHBondContact O-N 3.27Å; S1372-V1374 PolarHBondContact O-N 2.91Å; S1372-T1375 PolarHBondContact O-N 2.77Å; S1372-T1375 PolarHBondContact O-OG1 3.48Å
1373P53.2Low67.9Low120 Ų12072.7 Ų72.778%0.77944%0.439SS*.THydrogen-bonded Turntrans-66.11.1-17924.5-32.7000114.2
1374V53Low67.6Low131 Ų13168.2 Ų68.279%0.79442%0.421SS*.THydrogen-bonded Turntrans-83.9-26.8-175.1-173.60000112.5S1372S1372-V1374 PolarHBondContact O-N 2.91Å
1375T47.9Very low67.5Low84 Ų8471.5 Ų71.552%0.51544%0.439SS..SBendtrans-88.2117.617341.30000108.6S1372 Q1377S1372-T1375 PolarHBondContact O-N 2.77Å; S1372-T1375 PolarHBondContact O-OG1 3.48Å; T1375-Q1377 PolarHBondContact O-N 3.18Å
1376G49.6Very low67.3Low92 Ų9268.3 Ų68.395%0.94842%0.424SS*.  trans-63.624.7178.500000115.9
1377Q46.2Very low67.1Low157 Ų15769.1 Ų69.173%0.73443%0.428SS*.SBendtrans-74.9131.5163.1-79.8174.9-30.500108.6T1375 V1379T1375-Q1377 PolarHBondContact O-N 3.18Å; Q1377-V1379 PolarHBondContact O-N 3.34Å
1378S48.7Very low67.2Low120 Ų12065.5 Ų65.584%0.83941%0.41SS*.  trans-46.81051701600000109.9Y1380S1378-Y1380 PolarHBondContact O-N 2.95Å
1379V60.3Low67.1Low61 Ų6165.1 Ų65.137%0.3741%0.408SS..  trans-62.3119.8170.3-179.50000106.9A1371 Q1377 S1381A1371-V1379 HydrophobicContact CB-CB 4.39Å; A1371-V1379 HydrophobicContact CB-CG1 3.72Å; A1371-V1379 HydrophobicContact CB-CG2 4Å; Q1377-V1379 PolarHBondContact O-N 3.34Å; V1379-S1381 PolarHBondContact O-N 2.93Å
1380Y68.6Low67.4Low61 Ų6163 Ų6324%0.23939%0.39CS..  trans-60.2124.2176.3178.5-88.1000109.2Q1252 P1253 S1378 D1382Q1252-Y1380 HydrophobicContact CG-CD2 4.27Å; Q1252-Y1380 HydrophobicContact CG-CE1 4.35Å; Q1252-Y1380 HydrophobicContact CG-CE2 3.84Å; Q1252-Y1380 PolarHBondContact NE2-OH 3.27Å; P1253-Y1380 HydrophobicContact CB-CD1 4.05Å; P1253-Y1380 HydrophobicContact CB-CE1 4.34Å; P1253-Y1380 HydrophobicContact CG-CD1 3.64Å; P1253-Y1380 HydrophobicContact CG-CE1 4.36Å; P1253-Y1380 HydrophobicContact CG-CG 4.23Å; P1253-Y1380 WeakPolarHBondContact O-CE1 3.36Å; S1378-Y1380 PolarHBondContact O-N 2.95Å; Y1380-D1382 HydrophobicContact CE1-CB 4.1Å
1381S71.4Confident67.8Low90 Ų9059.9 Ų59.963%0.62938%0.377SS*.EExtended strand (participates in β ladder)trans-134.6133.6173.766.50000109.7I1366 V1379I1366-S1381 VanDerWaalsContact O-CA 3.27Å; I1366-S1381 WeakPolarHBondContact O-CA 3.41Å; V1379-S1381 PolarHBondContact O-N 2.93Å
1382D78.4Confident68.6Low23 Ų2358.5 Ų58.512%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-128.7157174.1-166.26.4000109.6I1366 Y1380I1366-D1382 HydrophobicContact CD1-CB 3.93Å; I1366-D1382 HydrophobicContact CG1-CB 3.72Å; I1366-D1382 PolarHBondContact N-O 3.11Å; I1366-D1382 PolarHBondContact O-N 3.21Å; I1366-D1382 VanDerWaalsContact O-N 3.08Å; Y1380-D1382 HydrophobicContact CE1-CB 4.1Å
1383T82.9Confident69.6Low59 Ų5955.3 Ų55.336%0.36234%0.342SS..EExtended strand (participates in β ladder)trans-132.4120.5-179.5-570000110.1Y1363 I1364 H1365Y1363-T1383 HydrophobicContact CD1-CG2 3.71Å; Y1363-T1383 HydrophobicContact CG-CG2 4.06Å; I1364-T1383 WeakPolarHBondContact O-CA 3.46Å; H1365-T1383 WeakPolarHBondContact CE1-CG2 3.35Å; H1365-T1383 PolarHBondContact CE1-OG1 3Å; H1365-T1383 VanDerWaalsContact ND1-CG2 3.3Å; H1365-T1383 WeakPolarHBondContact ND1-CG2 3.19Å; H1365-T1383 PolarHBondContact ND1-OG1 3.17Å
1384I82Confident70.6Confident3 Ų351.6 Ų51.62%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-107.8123.3-175.9-55.4172.3000109.5L1255 L1257 R1260 Y1363 I1364L1255-I1384 HydrophobicContact CB-CD1 4.08Å; L1255-I1384 HydrophobicContact CD2-CD1 4.18Å; L1255-I1384 HydrophobicContact CG-CD1 4.43Å; L1257-I1384 HydrophobicContact CD1-CB 4.34Å; L1257-I1384 HydrophobicContact CD1-CD1 4.02Å; L1257-I1384 HydrophobicContact CD1-CG2 3.46Å; L1257-I1384 VanDerWaalsContact CD1-CG2 3.46Å; R1260-I1384 HydrophobicContact CG-CG2 4.41Å; R1260-I1384 VanDerWaalsContact CZ-CG2 3.46Å; Y1363-I1384 CarbonylContact C-O 3.59Å; Y1363-I1384 VanDerWaalsContact CA-O 3.31Å; Y1363-I1384 WeakPolarHBondContact CA-O 3.34Å; I1364-I1384 HydrophobicContact CB-CB 4.4Å; I1364-I1384 PolarHBondContact N-O 3.18Å; I1364-I1384 PolarHBondContact O-N 3.29Å
1385L83.9Confident71.1Confident69 Ų6945.9 Ų45.936%0.36128%0.281SS..EExtended strand (participates in β ladder)trans-80.2125.2169.8-179.763000110.1Y1361 Y1363Y1361-L1385 HydrophobicContact CD1-CD1 4.39Å; Y1363-L1385 HydrophobicContact CD1-CB 4.06Å; Y1363-L1385 HydrophobicContact CD1-CD1 3.97Å; Y1363-L1385 HydrophobicContact CE1-CB 3.91Å; Y1363-L1385 HydrophobicContact CE1-CD1 3.67Å; Y1363-L1385 HydrophobicContact CE1-CG 4.27Å; Y1363-L1385 HydrophobicContact CE2-CD1 4.43Å; Y1363-L1385 HydrophobicContact CG-CD1 4.5Å
1386L83.3Confident72.1Confident0 Ų050.4 Ų50.40%029%0.293CS..EExtended strand (participates in β ladder)trans-108.7125173.8-174.576000109.3R1260 M1282 W1348 Y1361 C1362 I1364 L1388R1260-L1386 CarbonylContact O-C 3.51Å; R1260-L1386 WeakPolarHBondContact O-CA 3.33Å; R1260-L1386 WeakPolarHBondContact O-CD1 3.24Å; M1282-L1386 HydrophobicContact CE-CD2 3.96Å; M1282-L1386 HydrophobicContact SD-CD1 4.29Å; M1282-L1386 HydrophobicContact SD-CD2 3.82Å; W1348-L1386 HydrophobicContact CZ2-CD2 4.2Å; Y1361-L1386 CarbonylContact C-O 3.58Å; Y1361-L1386 VanDerWaalsContact CA-O 3.29Å; Y1361-L1386 WeakPolarHBondContact CA-O 3.4Å; C1362-L1386 PolarHBondContact N-O 3.21Å; C1362-L1386 WeakPolarHBondContact O-CB 3.39Å; C1362-L1386 PolarHBondContact O-N 3.06Å; I1364-L1386 HydrophobicContact CD1-CB 4.46Å; I1364-L1386 HydrophobicContact CD1-CD2 4.39Å; L1386-L1388 HydrophobicContact CD2-CD1 4.11Å; L1386-L1388 HydrophobicContact CD2-CD2 3.92Å; L1386-L1388 HydrophobicContact CD2-CG 3.92Å; L1386-L1388 HydrophobicContact CG-CD2 4.44Å; L1386-L1388 HydrophobicContact CG-CG 4.2Å
1387E82.4Confident72.8Confident18 Ų1853.4 Ų53.48%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-94.5124.4167.6179.9174.2-138.300108.8R1260 K1261 Y1262 R1305 Y1361 I1389R1260-E1387 PolarHBondContact O-N 2.72Å; K1261-E1387 CarbonylContact C-O 3.57Å; K1261-E1387 VanDerWaalsContact CA-O 3.3Å; K1261-E1387 WeakPolarHBondContact CA-O 3.33Å; K1261-E1387 HydrophobicContact CB-CB 4.44Å; K1261-E1387 HydrophobicContact CG-CB 4.45Å; K1261-E1387 HydrophobicContact CG-CG 4.25Å; K1261-E1387 WeakPolarHBondContact CG-OE2 3.24Å; Y1262-E1387 PolarHBondContact N-O 2.84Å; R1305-E1387 IonicContact NH2-OE1 2.69Å; Y1361-E1387 HydrophobicContact CD1-CB 3.85Å; Y1361-E1387 HydrophobicContact CD1-CG 4.06Å; Y1361-E1387 HydrophobicContact CE1-CB 3.62Å; Y1361-E1387 HydrophobicContact CE1-CG 3.43Å; Y1361-E1387 VanDerWaalsContact CE1-CG 3.43Å; Y1361-E1387 PolarHBondContact OH-OE1 3.45Å; E1387-I1389 HydrophobicContact CG-CG1 4.42Å
1388L84.2Confident73.2Confident0 Ų050.2 Ų50.20%027%0.27CS..EExtended strand (participates in β ladder)trans-112127.1179.4-72158.5000109Y1262 L1299 L1329 W1348 T1359 A1360 L1386Y1262-L1388 HydrophobicContact CD1-CD2 4.09Å; Y1262-L1388 WeakPolarHBondContact O-CA 3.37Å; L1299-L1388 HydrophobicContact CD2-CD1 3.62Å; L1329-L1388 HydrophobicContact CD2-CB 4.26Å; L1329-L1388 HydrophobicContact CD2-CD1 4.5Å; W1348-L1388 HydrophobicContact CD2-CD1 4.44Å; W1348-L1388 HydrophobicContact CE3-CD1 4.15Å; W1348-L1388 HydrophobicContact CH2-CD1 3.4Å; W1348-L1388 VanDerWaalsContact CH2-CD1 3.4Å; W1348-L1388 HydrophobicContact CZ2-CD1 3.72Å; W1348-L1388 HydrophobicContact CZ2-CD2 4.47Å; W1348-L1388 HydrophobicContact CZ3-CD1 3.63Å; T1359-L1388 CarbonylContact C-O 3.57Å; T1359-L1388 WeakPolarHBondContact CA-O 3.34Å; A1360-L1388 HydrophobicContact CB-CB 4.45Å; A1360-L1388 PolarHBondContact N-O 2.87Å; A1360-L1388 PolarHBondContact O-N 3.18Å; L1386-L1388 HydrophobicContact CD2-CD1 4.11Å; L1386-L1388 HydrophobicContact CD2-CD2 3.92Å; L1386-L1388 HydrophobicContact CD2-CG 3.92Å; L1386-L1388 HydrophobicContact CG-CD2 4.44Å; L1386-L1388 HydrophobicContact CG-CG 4.2Å
1389I80.1Confident73.5Confident18 Ų1845.7 Ų45.79%0.09224%0.243CC..EExtended strand (participates in β ladder)trans-117.4123.2174-53.4-162.4000108.8K1261 Y1262 I1263 L1264 T1357 Y1358 T1359 E1387 I1391K1261-I1389 HydrophobicContact CD-CD1 4.38Å; K1261-I1389 HydrophobicContact CG-CD1 4.37Å; Y1262-I1389 PolarHBondContact O-N 2.84Å; I1263-I1389 CarbonylContact C-O 3.47Å; I1263-I1389 WeakPolarHBondContact CA-O 3.28Å; I1263-I1389 HydrophobicContact CB-CB 4.39Å; I1263-I1389 HydrophobicContact CD1-CB 4.37Å; I1263-I1389 HydrophobicContact CD1-CD1 4.21Å; I1263-I1389 HydrophobicContact CG1-CB 4.03Å; I1263-I1389 HydrophobicContact CG1-CG1 4.42Å; I1263-I1389 HydrophobicContact CG2-CB 4.14Å; I1263-I1389 HydrophobicContact CG2-CG2 4.22Å; L1264-I1389 PolarHBondContact N-O 3.38Å; T1357-I1389 HydrophobicContact CG2-CG2 3.52Å; Y1358-I1389 CarbonylContact O-C 3.5Å; Y1358-I1389 VanDerWaalsContact O-CA 3.31Å; Y1358-I1389 WeakPolarHBondContact O-CA 3.36Å; T1359-I1389 HydrophobicContact CG2-CD1 4.17Å; T1359-I1389 HydrophobicContact CG2-CG1 4.11Å; T1359-I1389 HydrophobicContact CG2-CG2 4.49Å; E1387-I1389 HydrophobicContact CG-CG1 4.42Å; I1389-I1391 HydrophobicContact CG2-CG1 4.45Å
1390A78.8Confident73.2Confident0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-123133.3176.600000109.2L1264 F1350 T1357 Y1358L1264-A1390 HydrophobicContact CB-CB 4.36Å; L1264-A1390 HydrophobicContact CD1-CB 3.49Å; L1264-A1390 VanDerWaalsContact CD1-CB 3.49Å; F1350-A1390 HydrophobicContact CD1-CB 3.87Å; F1350-A1390 HydrophobicContact CD2-CB 3.67Å; F1350-A1390 HydrophobicContact CE1-CB 3.67Å; F1350-A1390 HydrophobicContact CE2-CB 3.47Å; F1350-A1390 VanDerWaalsContact CE2-CB 3.47Å; F1350-A1390 HydrophobicContact CG-CB 3.88Å; F1350-A1390 HydrophobicContact CZ-CB 3.46Å; F1350-A1390 VanDerWaalsContact CZ-CB 3.46Å; T1357-A1390 CarbonylContact C-O 3.59Å; Y1358-A1390 WeakPolarHBondContact CD2-O 3.38Å; Y1358-A1390 PolarHBondContact N-O 3.44Å; Y1358-A1390 PolarHBondContact O-N 2.97Å
1391I76.6Confident72.1Confident43 Ų4347.3 Ų47.322%0.22125%0.253CS..EExtended strand (participates in β ladder)trans-113.1115.7-176.9-59.2171.2000108.7P1266 T1267 T1357 I1389P1266-I1391 CarbonylContact C-O 3.52Å; P1266-I1391 WeakPolarHBondContact CA-O 3.38Å; P1266-I1391 HydrophobicContact CB-CB 4.29Å; P1266-I1391 HydrophobicContact CB-CG2 4.35Å; P1266-I1391 HydrophobicContact CG-CB 4.47Å; T1267-I1391 PolarHBondContact N-O 3.31Å; T1357-I1391 HydrophobicContact CG2-CG1 4.04Å; I1389-I1391 HydrophobicContact CG2-CG1 4.45Å
1392G76.6Confident70.9Confident3 Ų350 Ų503%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-89.4133.7166.700000110T1267 A1355 K1356T1267-G1392 VanDerWaalsContact O-CA 3.32Å; T1267-G1392 WeakPolarHBondContact O-CA 3.44Å; A1355-G1392 CarbonylContact C-O 3.57Å; A1355-G1392 VanDerWaalsContact C-O 3.29Å; A1355-G1392 VanDerWaalsContact CA-O 3.25Å; A1355-G1392 WeakPolarHBondContact CA-O 3.35Å; K1356-G1392 PolarHBondContact N-O 3.14Å; K1356-G1392 PolarHBondContact O-N 2.58Å
1393Y74Confident69.1Low9 Ų951.5 Ų51.54%0.03526%0.263CS..EExtended strand (participates in β ladder)trans-134.5152.1175.775.3-86.9000112.3P1266 T1267 P1268 I1269 P1395 L1398 Y1647P1266-Y1393 HydrophobicContact CB-CD1 3.83Å; P1266-Y1393 HydrophobicContact CB-CE1 3.96Å; T1267-Y1393 WeakPolarHBondContact O-CD1 3.28Å; T1267-Y1393 PolarHBondContact O-N 3.27Å; P1268-Y1393 CarbonylContact C-O 3.5Å; P1268-Y1393 WeakPolarHBondContact CA-O 3.47Å; P1268-Y1393 HydrophobicContact CB-CE1 4.22Å; P1268-Y1393 HydrophobicContact CB-CE2 4.45Å; I1269-Y1393 WeakPolarHBondContact CG1-O 3.32Å; I1269-Y1393 PolarHBondContact N-O 3.23Å; Y1393-P1395 HydrophobicContact CE2-CB 4.11Å; Y1393-P1395 WeakPolarHBondContact O-CD 3.46Å; Y1393-L1398 HydrophobicContact CD2-CB 4.44Å; Y1393-Y1647 PolarHBondContact OH-OH 3.5Å
1394D72.8Confident66.9Low43 Ų4352.3 Ų52.323%0.2326%0.264CS..  trans-87.1112.1173.4-175.3-8000109.5I1269 A1355 K1396 Q1397 L1398I1269-D1394 HydrophobicContact CD1-CB 4.27Å; A1355-D1394 HydrophobicContact CB-CB 4.36Å; D1394-K1396 PolarHBondContact O-N 2.77Å; D1394-K1396 WeakPolarHBondContact OD1-CB 3.31Å; D1394-K1396 PolarHBondContact OD1-N 2.76Å; D1394-Q1397 HydrophobicContact CB-CB 4.29Å; D1394-Q1397 HydrophobicContact CB-CG 4.26Å; D1394-Q1397 PolarHBondContact O-N 2.81Å; D1394-L1398 PolarHBondContact O-N 2.79Å; D1394-L1398 VanDerWaalsContact O-N 3.15Å
1395P65.5Low64.7Low10 Ų1054.5 Ų54.57%0.06528%0.282CS..Hα-helixtrans-64.6-20179.827.3-34.7000113.2P1268 L1271 Y1393 G1399 I1646 Y1647P1268-P1395 HydrophobicContact CB-CB 4.5Å; P1268-P1395 HydrophobicContact CB-CG 4.15Å; L1271-P1395 HydrophobicContact CD1-CG 4.11Å; Y1393-P1395 HydrophobicContact CE2-CB 4.11Å; Y1393-P1395 WeakPolarHBondContact O-CD 3.46Å; P1395-G1399 VanDerWaalsContact O-CA 3.3Å; P1395-G1399 WeakPolarHBondContact O-CA 3.47Å; P1395-G1399 PolarHBondContact O-N 3.26Å; P1395-G1399 VanDerWaalsContact O-N 3.13Å; P1395-I1646 HydrophobicContact CB-CG2 3.81Å; P1395-I1646 HydrophobicContact CG-CG2 4.15Å; P1395-Y1647 HydrophobicContact CB-CE1 4.24Å
1396K68.9Low62.6Low180 Ų18053.5 Ų53.578%0.78328%0.278SS*.Hα-helixtrans-75-31176-65.7-178.1179.1178.30113.1D1394D1394-K1396 PolarHBondContact O-N 2.77Å; D1394-K1396 WeakPolarHBondContact OD1-CB 3.31Å; D1394-K1396 PolarHBondContact OD1-N 2.76Å
1397Q64.2Low60.3Low154 Ų15455 Ų5572%0.7229%0.288SS*.Hα-helixtrans-87-41.8-178.8-69.7-174.1-4.800112D1394D1394-Q1397 HydrophobicContact CB-CB 4.29Å; D1394-Q1397 HydrophobicContact CB-CG 4.26Å; D1394-Q1397 PolarHBondContact O-N 2.81Å
1398L54.6Low58.2Low91 Ų9158.9 Ų58.948%0.47631%0.305SS..Hα-helixtrans-105.4-0.6-170.1-70.8160.7000113.5Y1393 D1394Y1393-L1398 HydrophobicContact CD2-CB 4.44Å; D1394-L1398 PolarHBondContact O-N 2.79Å; D1394-L1398 VanDerWaalsContact O-N 3.15Å
1399G53.1Low56.3Low25 Ų2562 Ų6226%0.25832%0.318SS..  trans67-175-174.800000113.6P1395 K1401P1395-G1399 VanDerWaalsContact O-CA 3.3Å; P1395-G1399 WeakPolarHBondContact O-CA 3.47Å; P1395-G1399 PolarHBondContact O-N 3.26Å; P1395-G1399 VanDerWaalsContact O-N 3.13Å; G1399-K1401 VanDerWaalsContact C-N 3.3Å; G1399-K1401 PolarHBondContact O-N 2.71Å
1400P54Low54.2Low69 Ų6964.2 Ų64.245%0.44833%0.331SS..SBendtrans-63.889.6166.825.4-30.3000108.8E1402 Y1647P1400-E1402 PolarHBondContact O-N 2.74Å; P1400-E1402 VanDerWaalsContact O-N 3.12Å; P1400-Y1647 HydrophobicContact CB-CD1 3.56Å; P1400-Y1647 HydrophobicContact CB-CE1 4.2Å; P1400-Y1647 HydrophobicContact CB-CG 4.34Å
1401K46.4Very low52.3Low87 Ų8766.1 Ų66.138%0.37834%0.339SS..  trans-57.9124.5165.8-79.4-159.1170.9-164.80107.9G1399 R1474G1399-K1401 VanDerWaalsContact C-N 3.3Å; G1399-K1401 PolarHBondContact O-N 2.71Å; K1401-R1474 PolarHBondContact O-NH2 2.83Å
1402E46.2Very low50.6Low147 Ų14766.5 Ų66.569%0.68734%0.34SS*.  trans-55.9145.9166.7-74.3-172.9158.500108.7P1400 I1404P1400-E1402 PolarHBondContact O-N 2.74Å; P1400-E1402 VanDerWaalsContact O-N 3.12Å; E1402-I1404 VanDerWaalsContact C-N 3.32Å; E1402-I1404 PolarHBondContact O-N 2.81Å
1403I41Very low48.8Very low54 Ų5466.5 Ų66.528%0.27734%0.34SS..  trans-61.2100.2177.8-56.9165.1000106.2A1405 F1550 E1637I1403-A1405 VanDerWaalsContact C-N 3.3Å; I1403-A1405 PolarHBondContact O-N 3.37Å; I1403-F1550 HydrophobicContact CD1-CE1 4.15Å; I1403-F1550 HydrophobicContact CG1-CE1 4.25Å; I1403-F1550 HydrophobicContact CG2-CE1 4.44Å; I1403-E1637 HydrophobicContact CD1-CB 3.87Å; I1403-E1637 WeakPolarHBondContact CD1-OE2 3.18Å
1404I36.5Very low47.3Very low76 Ų7666.4 Ų66.439%0.3934%0.34SS..  trans-63.8102165.5-55.4170.4000104.3E1402 N1406 P1407E1402-I1404 VanDerWaalsContact C-N 3.32Å; E1402-I1404 PolarHBondContact O-N 2.81Å; I1404-N1406 VanDerWaalsContact C-N 3.28Å; I1404-N1406 PolarHBondContact O-N 3.32Å; I1404-P1407 HydrophobicContact CG2-CG 4.49Å
1405A36.2Very low46.1Very low48 Ų4866.7 Ų66.740%0.39735%0.349SS..SBendtrans-63.198.6169.100000106.9I1403I1403-A1405 VanDerWaalsContact C-N 3.3Å; I1403-A1405 PolarHBondContact O-N 3.37Å
1406N39.3Very low45.2Very low49 Ų4970 Ų7026%0.26237%0.365SS..  trans62.6103.7174-72.1-71.3000118.2I1404 Q1408 R1409I1404-N1406 VanDerWaalsContact C-N 3.28Å; I1404-N1406 PolarHBondContact O-N 3.32Å; N1406-Q1408 PolarHBondContact O-N 2.99Å; N1406-R1409 PolarHBondContact ND2-NH2 2.75Å; N1406-R1409 PolarHBondContact OD1-NE 2.77Å; N1406-R1409 PolarHBondContact OD1-NH2 3.41Å
1407P35.8Very low44.2Very low32 Ų3261.7 Ų61.721%0.20833%0.329CS..  trans-72.2125.9158.3-3.221.9000109.4I1263 I1404I1263-P1407 HydrophobicContact CD1-CB 4.17Å; I1263-P1407 VanDerWaalsContact CD1-O 3.22Å; I1263-P1407 WeakPolarHBondContact CD1-O 3.39Å; I1263-P1407 HydrophobicContact CG2-CB 4.45Å; I1263-P1407 HydrophobicContact CG2-CG 3.83Å; I1404-P1407 HydrophobicContact CG2-CG 4.49Å
1408Q38Very low43.4Very low98 Ų9858.1 Ų58.146%0.45832%0.315SS..  trans45.3110.9153.5-59.8-169.4-12.600119.1N1406N1406-Q1408 PolarHBondContact O-N 2.99Å
1409R43Very low43.1Very low67 Ų6761.7 Ų61.725%0.25333%0.329SS..  trans-12291.4-177.7-78.1160.5165.6-154.9-0.6111.2R1079 Y1259 N1406R1079-R1409 PolarHBondContact O-NH1 3.18Å; R1079-R1409 VanDerWaalsContact O-NH1 3.07Å; Y1259-R1409 HydrophobicContact CD1-CB 3.56Å; Y1259-R1409 HydrophobicContact CD1-CG 3.53Å; Y1259-R1409 HydrophobicContact CD2-CG 4.23Å; Y1259-R1409 HydrophobicContact CE1-CB 3.41Å; Y1259-R1409 VanDerWaalsContact CE1-CB 3.41Å; Y1259-R1409 VanDerWaalsContact CE1-CD 3.48Å; Y1259-R1409 HydrophobicContact CE1-CG 3.51Å; Y1259-R1409 HydrophobicContact CE2-CG 4.21Å; Y1259-R1409 VanDerWaalsContact CE2-NE 3.29Å; Y1259-R1409 HydrophobicContact CG-CB 4.41Å; Y1259-R1409 HydrophobicContact CG-CG 3.9Å; Y1259-R1409 VanDerWaalsContact CZ-CZ 3.49Å; Y1259-R1409 WeakPolarHBondContact OH-CD 3.31Å; Y1259-R1409 PolarHBondContact OH-NH1 3.21Å; N1406-R1409 PolarHBondContact ND2-NH2 2.75Å; N1406-R1409 PolarHBondContact OD1-NE 2.77Å; N1406-R1409 PolarHBondContact OD1-NH2 3.41Å
1410V36.3Very low42.7Very low63 Ų6363.1 Ų63.138%0.38233%0.33SS..PPolyproline II helixtrans-87.4117.3160.3179.50000107I1412V1410-I1412 PolarHBondContact O-N 3.13Å
1411R39.1Very low42.1Very low41 Ų4160.5 Ų60.516%0.15531%0.312CS..PPolyproline II helixtrans-70.4121170.7177.8-176.5166.6163.1-0.7108.3E1417R1411-E1417 IonicContact CZ-OE2 2.81Å; R1411-E1417 IonicContact NE-OE2 3.9Å; R1411-E1417 IonicContact NH2-OE1 3.32Å; R1411-E1417 PolarHBondContact NH2-OE1 3.34Å; R1411-E1417 IonicContact NH2-OE2 3.87Å; R1411-E1417 PolarHBondContact NH2-OE2 3.49Å
1412I40.4Very low42Very low50 Ų5061.1 Ų61.126%0.25633%0.327SS..PPolyproline II helixtrans-91.2127.8172.6-51.4169000107.6R1260 V1410 L1423R1260-I1412 HydrophobicContact CB-CB 3.83Å; R1260-I1412 HydrophobicContact CB-CD1 4.1Å; R1260-I1412 HydrophobicContact CB-CG1 4.23Å; R1260-I1412 WeakPolarHBondContact CD-O 3.26Å; R1260-I1412 HydrophobicContact CG-CB 4.27Å; R1260-I1412 WeakPolarHBondContact CG-O 3.32Å; V1410-I1412 PolarHBondContact O-N 3.13Å; I1412-L1423 HydrophobicContact CG2-CD1 4.26Å
1413P40.3Very low41.6Very low3 Ų359.6 Ų59.62%0.01932%0.323CS..PPolyproline II helixtrans-58.8152.6176.914.6-26.5000114.5R1260 E1417 N1418 I1421 L1423R1260-P1413 VanDerWaalsContact CZ-O 3.26Å; R1260-P1413 PolarHBondContact NH1-O 2.94Å; P1413-E1417 WeakPolarHBondContact CA-OE2 3.43Å; P1413-E1417 HydrophobicContact CB-CB 3.38Å; P1413-N1418 WeakPolarHBondContact CB-OD1 3.5Å; P1413-N1418 VanDerWaalsContact CG-OD1 3.32Å; P1413-N1418 WeakPolarHBondContact CG-OD1 3.17Å; P1413-N1418 PolarHBondContact O-OD1 3.08Å; P1413-I1421 HydrophobicContact CB-CB 3.84Å; P1413-I1421 HydrophobicContact CB-CD1 4.12Å; P1413-I1421 HydrophobicContact CB-CG1 4.32Å; P1413-I1421 HydrophobicContact CB-CG2 4.32Å; P1413-I1421 HydrophobicContact CG-CB 3.8Å; P1413-I1421 HydrophobicContact CG-CG2 3.91Å; P1413-L1423 HydrophobicContact CG-CD1 3.54Å
1414T42.4Very low41.2Very low7 Ų764.8 Ų64.84%0.04335%0.352CS..PPolyproline II helixtrans-64.8163.5163620000112.9Y1254 R1260 I1416 E1417 N1418Y1254-T1414 HydrophobicContact CE2-CG2 4.46Å; R1260-T1414 VanDerWaalsContact CZ-CA 3.44Å; R1260-T1414 VanDerWaalsContact NH2-CA 3.28Å; R1260-T1414 VanDerWaalsContact NH2-CG2 3.31Å; T1414-I1416 PolarHBondContact O-N 3.46Å; T1414-I1416 VanDerWaalsContact O-N 3.16Å; T1414-E1417 VanDerWaalsContact CG2-OE1 3.27Å; T1414-E1417 WeakPolarHBondContact CG2-OE1 3.5Å; T1414-E1417 PolarHBondContact N-OE2 3.26Å; T1414-E1417 CarbonylContact O-C 3.6Å; T1414-E1417 WeakPolarHBondContact O-CA 3.27Å; T1414-E1417 PolarHBondContact O-N 3.3Å; T1414-E1417 WeakPolarHBondContact OG1-CB 3.41Å; T1414-E1417 WeakPolarHBondContact OG1-CG 3.33Å; T1414-E1417 PolarHBondContact OG1-N 3.09Å; T1414-E1417 VanDerWaalsContact OG1-N 3.13Å; T1414-E1417 PolarHBondContact OG1-OE1 2.92Å; T1414-N1418 VanDerWaalsContact O-CG 3.27Å; T1414-N1418 PolarHBondContact O-N 2.8Å; T1414-N1418 PolarHBondContact O-OD1 2.77Å
1415A47Very low41.2Very low49 Ų4965.7 Ų65.741%0.40535%0.35SS..THydrogen-bonded Turntrans-56.6-32174.900000111.7
1416I47.4Very low40.9Very low80 Ų8069 Ų6941%0.4136%0.361SS..THydrogen-bonded Turntrans-70.8-40.6173.2-63.7164.4000111T1414T1414-I1416 PolarHBondContact O-N 3.46Å; T1414-I1416 VanDerWaalsContact O-N 3.16Å
1417E46.3Very low40.5Very low5 Ų570.2 Ų70.22%0.02337%0.372CS..G310 helixtrans-76.7-20.5177.5-67.8156.2-138.200113.4C1224 I1246 Y1254 R1411 P1413 T1414 H1419 I1420 I1421C1224-E1417 HydrophobicContact CB-CG 4.14Å; I1246-E1417 WeakPolarHBondContact CD1-OE1 3.37Å; Y1254-E1417 PolarHBondContact OH-OE1 2.75Å; Y1254-E1417 VanDerWaalsContact OH-OE1 3.14Å; R1411-E1417 IonicContact CZ-OE2 2.81Å; R1411-E1417 IonicContact NE-OE2 3.9Å; R1411-E1417 IonicContact NH2-OE1 3.32Å; R1411-E1417 PolarHBondContact NH2-OE1 3.34Å; R1411-E1417 IonicContact NH2-OE2 3.87Å; R1411-E1417 PolarHBondContact NH2-OE2 3.49Å; P1413-E1417 WeakPolarHBondContact CA-OE2 3.43Å; P1413-E1417 HydrophobicContact CB-CB 3.38Å; T1414-E1417 VanDerWaalsContact CG2-OE1 3.27Å; T1414-E1417 WeakPolarHBondContact CG2-OE1 3.5Å; T1414-E1417 PolarHBondContact N-OE2 3.26Å; T1414-E1417 CarbonylContact O-C 3.6Å; T1414-E1417 WeakPolarHBondContact O-CA 3.27Å; T1414-E1417 PolarHBondContact O-N 3.3Å; T1414-E1417 WeakPolarHBondContact OG1-CB 3.41Å; T1414-E1417 WeakPolarHBondContact OG1-CG 3.33Å; T1414-E1417 PolarHBondContact OG1-N 3.09Å; T1414-E1417 VanDerWaalsContact OG1-N 3.13Å; T1414-E1417 PolarHBondContact OG1-OE1 2.92Å; E1417-H1419 PolarHBondContact O-N 2.84Å; E1417-H1419 VanDerWaalsContact O-N 3.15Å; E1417-I1420 CarbonylContact O-C 3.52Å; E1417-I1420 WeakPolarHBondContact O-CA 3.45Å; E1417-I1420 PolarHBondContact O-N 2.69Å; E1417-I1421 HydrophobicContact CB-CD1 4.09Å; E1417-I1421 HydrophobicContact CB-CG1 4.33Å; E1417-I1421 HydrophobicContact CG-CD1 4.41Å; E1417-I1421 PolarHBondContact O-N 3.07Å
1418N47.9Very low40.1Very low79 Ų7974.5 Ų74.542%0.42239%0.389SS..G310 helixtrans-61-26.2-177.8-82.4-8.8000112.6P1413 T1414 I1420P1413-N1418 WeakPolarHBondContact CB-OD1 3.5Å; P1413-N1418 VanDerWaalsContact CG-OD1 3.32Å; P1413-N1418 WeakPolarHBondContact CG-OD1 3.17Å; P1413-N1418 PolarHBondContact O-OD1 3.08Å; T1414-N1418 VanDerWaalsContact O-CG 3.27Å; T1414-N1418 PolarHBondContact O-N 2.8Å; T1414-N1418 PolarHBondContact O-OD1 2.77Å; N1418-I1420 PolarHBondContact O-N 2.77Å
1419H47.9Very low39.7Very low167 Ų16774.1 Ų74.177%0.77340%0.397SS*.G310 helixtrans-75.7-11.2174.8-64.1-59.9000113E1417E1417-H1419 PolarHBondContact O-N 2.84Å; E1417-H1419 VanDerWaalsContact O-N 3.15Å
1420I44.6Very low39Very low54 Ų5476.2 Ų76.228%0.27741%0.412SS..THydrogen-bonded Turntrans-117.9-44.7-172.4-63.7166.8000110.8C1224 E1417 N1418C1224-I1420 HydrophobicContact CB-CD1 3.81Å; E1417-I1420 CarbonylContact O-C 3.52Å; E1417-I1420 WeakPolarHBondContact O-CA 3.45Å; E1417-I1420 PolarHBondContact O-N 2.69Å; N1418-I1420 PolarHBondContact O-N 2.77Å
1421I41.4Very low38.7Very low15 Ų1578.6 Ų78.68%0.07742%0.421CS..SBendtrans-98.5103.1-178-51.4-176.2000107.8P1413 E1417 L1423P1413-I1421 HydrophobicContact CB-CB 3.84Å; P1413-I1421 HydrophobicContact CB-CD1 4.12Å; P1413-I1421 HydrophobicContact CB-CG1 4.32Å; P1413-I1421 HydrophobicContact CB-CG2 4.32Å; P1413-I1421 HydrophobicContact CG-CB 3.8Å; P1413-I1421 HydrophobicContact CG-CG2 3.91Å; E1417-I1421 HydrophobicContact CB-CD1 4.09Å; E1417-I1421 HydrophobicContact CB-CG1 4.33Å; E1417-I1421 HydrophobicContact CG-CD1 4.41Å; E1417-I1421 PolarHBondContact O-N 3.07Å; I1421-L1423 PolarHBondContact O-N 2.88Å
1422S44.1Very low37.9Very low100 Ų10086 Ų8670%0.69945%0.449SS*.  trans-67128.9176.7-700000110.9D1424S1422-D1424 PolarHBondContact O-N 2.89Å
1423L38.2Very low37.3Very low115 Ų11591.2 Ų91.260%0.60247%0.473SS*.  trans-77-1.1-176.4-121.699.9000114.5I1412 P1413 I1421 R1425I1412-L1423 HydrophobicContact CG2-CD1 4.26Å; P1413-L1423 HydrophobicContact CG-CD1 3.54Å; I1421-L1423 PolarHBondContact O-N 2.88Å; L1423-R1425 PolarHBondContact O-N 2.93Å
1424D33.4Very low36.7Very low163 Ų16397.1 Ų97.187%0.87250%0.504SS*.  trans-75.726.6-163.9-131.611000114.6S1422 N1426S1422-D1424 PolarHBondContact O-N 2.89Å; D1424-N1426 PolarHBondContact O-N 3.26Å
1425R35.9Very low36.1Very low95 Ų95105 Ų10536%0.35855%0.546SS..  trans-85.6101.9177.1-70.2-170.5175.5158.77.3109.7E1122 D1124 N1242 L1423 P1427E1122-R1425 IonicContact OE1-CZ 2.75Å; E1122-R1425 IonicContact OE1-NH2 2.68Å; E1122-R1425 PolarHBondContact OE1-NH2 3.37Å; E1122-R1425 IonicContact OE2-CZ 2.86Å; E1122-R1425 VanDerWaalsContact OE2-CZ 3.26Å; E1122-R1425 IonicContact OE2-NE 2.63Å; E1122-R1425 PolarHBondContact OE2-NE 2.8Å; E1122-R1425 IonicContact OE2-NH2 2.85Å; E1122-R1425 PolarHBondContact OE2-NH2 3.29Å; D1124-R1425 IonicContact OD1-CZ 3.86Å; D1124-R1425 IonicContact OD1-NH1 3.8Å; D1124-R1425 PolarHBondContact OD1-NH1 3.22Å; D1124-R1425 IonicContact OD1-NH2 3.29Å; D1124-R1425 PolarHBondContact OD1-NH2 3.45Å; D1124-R1425 IonicContact OD2-CZ 2.8Å; D1124-R1425 IonicContact OD2-NH1 3.83Å; D1124-R1425 PolarHBondContact OD2-NH1 3.1Å; N1242-R1425 PolarHBondContact ND2-NH2 3.07Å; L1423-R1425 PolarHBondContact O-N 2.93Å; R1425-P1427 WeakPolarHBondContact O-CD 3.35Å; R1425-P1427 VanDerWaalsContact O-N 3.14Å
1426N30.6Very low35.5Very low117 Ų117108.4 Ų108.463%0.62656%0.557SS**  trans-54.2114.1166.6-101.5-37.7000109.5D1424 Q1428 S1429D1424-N1426 PolarHBondContact O-N 3.26Å; N1426-Q1428 PolarHBondContact O-N 3.16Å; N1426-S1429 PolarHBondContact O-N 3.16Å; N1426-S1429 PolarHBondContact O-OG 2.91Å
1427P29.9Very low34.9Very low75 Ų75112.4 Ų112.449%0.48758%0.58SS.*G310 helixtrans-63.5-8.8176.424.2-31.7000112.9R1425 S1429R1425-P1427 WeakPolarHBondContact O-CD 3.35Å; R1425-P1427 VanDerWaalsContact O-N 3.14Å; P1427-S1429 VanDerWaalsContact C-N 3.31Å; P1427-S1429 PolarHBondContact O-N 3.3Å
1428Q28.6Very low34.1Very low121 Ų121117.3 Ų117.357%0.56561%0.605SS**G310 helixtrans-70.9-18.3176-67.9-169.5-13.100114.2N1426 I1430 I1431 R1432N1426-Q1428 PolarHBondContact O-N 3.16Å; Q1428-I1430 PolarHBondContact O-N 3.27Å; Q1428-I1431 PolarHBondContact O-N 3.2Å; Q1428-R1432 PolarHBondContact O-N 2.98Å
1429S29Very low33.3Very low91 Ų91120 Ų12064%0.63662%0.619SS**G310 helixtrans-67.8-22.9177.356.40000112.9N1426 P1427N1426-S1429 PolarHBondContact O-N 3.16Å; N1426-S1429 PolarHBondContact O-OG 2.91Å; P1427-S1429 VanDerWaalsContact C-N 3.31Å; P1427-S1429 PolarHBondContact O-N 3.3Å
1430I29.1Very low32.7Very low110 Ų110120.3 Ų120.356%0.56462%0.621SS**G310 helixtrans-82.3-20.1176.7-60.2169.6000111.5Q1428Q1428-I1430 PolarHBondContact O-N 3.27Å
1431I28.3Very low31.9Very low113 Ų113120.5 Ų120.558%0.57964%0.636SS**THydrogen-bonded Turntrans-103.50.6-175.4-54.9174000111.8Q1428 H1433Q1428-I1431 PolarHBondContact O-N 3.2Å; I1431-H1433 PolarHBondContact O-N 3.4Å
1432R23.6Very low31.3Very low196 Ų196127.6 Ų127.674%0.7467%0.669SS**  trans-8156.6169.5-71.7-172.8-175.1-174.42.7111.8Q1428Q1428-R1432 PolarHBondContact O-N 2.98Å
1433H28.2Very low30.7Very low161 Ų161128.5 Ų128.575%0.74567%0.665SS**SBendtrans-110.6114.6145.3-91.3-74.9000106.3I1431I1431-H1433 PolarHBondContact O-N 3.4Å
1434N27.6Very low30.3Very low127 Ų127127 Ų12768%0.67966%0.661SS**  trans-21.8135.7-175.9-58.7-27.9000116.5D1436N1434-D1436 PolarHBondContact O-N 2.85Å
1435D28.9Very low30.4Very low171 Ų171124 Ų12491%0.91464%0.64SS**SBendtrans-61.226.4174.2-81.5-49.1000115.1
1436D33.7Very low30.4Very low122 Ų122127.7 Ų127.765%0.65265%0.654SS**SBendtrans-124.4106.8-173-62.7-43.2000110.6N1434 I1438N1434-D1436 PolarHBondContact O-N 2.85Å; D1436-I1438 PolarHBondContact O-N 3.46Å
1437D35.7Very low30.9Very low164 Ų164125.2 Ų125.288%0.87764%0.641SS**  trans47.540150.5-62.7-25.8000118.8D1439D1437-D1439 PolarHBondContact O-N 3.3Å; D1437-D1439 VanDerWaalsContact O-N 3.09Å
1438I30.1Very low31.8Very low107 Ų107123.4 Ų123.455%0.54963%0.626SS.*  trans-75.5102.4162.2-58.1176.3000107.4D1436 E1440D1436-I1438 PolarHBondContact O-N 3.46Å; I1438-E1440 PolarHBondContact O-N 2.82Å; I1438-E1440 VanDerWaalsContact O-N 3.13Å
1439D31.5Very low32.8Very low135 Ų135119.8 Ų119.872%0.72261%0.613SS**  trans-40.6118.9169-85.3-39.7000109.5D1437 G1441 E1442D1437-D1439 PolarHBondContact O-N 3.3Å; D1437-D1439 VanDerWaalsContact O-N 3.09Å; D1439-G1441 PolarHBondContact O-N 3.48Å; D1439-E1442 PolarHBondContact O-N 3.25Å
1440E33.3Very low33.9Very low175 Ų175115.8 Ų115.882%0.81858%0.584SS**THydrogen-bonded Turntrans-56.5-5.3-179.1-69-170.3145.900113.3I1438I1438-E1440 PolarHBondContact O-N 2.82Å; I1438-E1440 VanDerWaalsContact O-N 3.13Å
1441G29Very low35.1Very low57 Ų57116.2 Ų116.259%0.58859%0.587SS**THydrogen-bonded Turntrans-76.2-22.617600000116.2D1439D1439-G1441 PolarHBondContact O-N 3.48Å
1442E28.9Very low36.7Very low165 Ų165112.3 Ų112.377%0.77157%0.572SS**SBendtrans-93.2-12.2179.9-72.6-160.8157.900114.2D1439 T1444D1439-E1442 PolarHBondContact O-N 3.25Å; E1442-T1444 PolarHBondContact O-N 3Å; E1442-T1444 VanDerWaalsContact O-N 3.13Å
1443L30.4Very low38.9Very low119 Ų119104.3 Ų104.362%0.62354%0.542SS*.  trans-77.617.2171.1-72.2178.5000113.3F1445L1443-F1445 PolarHBondContact O-N 3.26Å
1444T30.9Very low41.1Very low84 Ų84102.3 Ų102.352%0.51553%0.527SS..  trans-63.287.4155.7570000106.1E1442 R1446E1442-T1444 PolarHBondContact O-N 3Å; E1442-T1444 VanDerWaalsContact O-N 3.13Å; T1444-R1446 PolarHBondContact O-N 3.19Å
1445F34.2Very low43.4Very low99 Ų9996.4 Ų96.443%0.43450%0.496SS..  trans-44.2113.7171-91-99.6000105.7I1088 L1443 N1447I1088-F1445 HydrophobicContact CD1-CD1 3.66Å; I1088-F1445 HydrophobicContact CD1-CE1 3.64Å; L1443-F1445 PolarHBondContact O-N 3.26Å; F1445-N1447 PolarHBondContact O-N 2.85Å
1446R36.7Very low45.1Very low173 Ų17396.4 Ų96.465%0.65349%0.488SS*.  trans-61.383.2165.5-75.5-177.8178.7171.90.4104.5T1444 F1448T1444-R1446 PolarHBondContact O-N 3.19Å; R1446-F1448 VanDerWaalsContact C-N 3.29Å; R1446-F1448 HydrophobicContact CB-CD2 4.15Å; R1446-F1448 HydrophobicContact CB-CE2 3.71Å; R1446-F1448 HydrophobicContact CB-CZ 3.97Å; R1446-F1448 WeakPolarHBondContact O-CD2 3.46Å; R1446-F1448 PolarHBondContact O-N 2.92Å
1447N41.3Very low46.3Very low65 Ų6595.7 Ų95.735%0.34848%0.483SS..  trans-58.8108.3165.3-74-12.5000102.4F1445 P1449F1445-N1447 PolarHBondContact O-N 2.85Å; N1447-P1449 WeakPolarHBondContact O-CD 3.34Å
1448F49.4Very low47.2Very low37 Ų3789.6 Ų89.616%0.16245%0.452CS..  trans-89.182.6168.1-67.2-83.1000104W1078 R1446W1078-F1448 HydrophobicContact CZ2-CB 4.2Å; W1078-F1448 VanDerWaalsContact CZ2-O 3.29Å; W1078-F1448 WeakPolarHBondContact CZ2-O 3.41Å; R1446-F1448 VanDerWaalsContact C-N 3.29Å; R1446-F1448 HydrophobicContact CB-CD2 4.15Å; R1446-F1448 HydrophobicContact CB-CE2 3.71Å; R1446-F1448 HydrophobicContact CB-CZ 3.97Å; R1446-F1448 WeakPolarHBondContact O-CD2 3.46Å; R1446-F1448 PolarHBondContact O-N 2.92Å
1449P49.4Very low48.4Very low45 Ų4586.7 Ų86.729%0.29244%0.438SS..  trans-57.4147.1172.428.1-34.9000107.3N1447 L1451 L1469N1447-P1449 WeakPolarHBondContact O-CD 3.34Å; P1449-L1451 VanDerWaalsContact C-N 3.33Å; P1449-L1451 WeakPolarHBondContact O-CG 3.48Å; P1449-L1451 PolarHBondContact O-N 3.36Å; P1449-L1469 HydrophobicContact CB-CD2 4.02Å
1450P50.7Low49.8Very low7 Ų783 Ų835%0.04542%0.418CS..  trans-59.598.717622.9-31.6000108.7V1075 A1452V1075-P1450 HydrophobicContact CG2-CG 4.31Å; P1450-A1452 VanDerWaalsContact C-N 3.25Å; P1450-A1452 PolarHBondContact O-N 3.14Å
1451L54.8Low51.2Low118 Ų11875.7 Ų75.762%0.61839%0.386SS*.  trans-72.1-14-160.8-92.2149.8000114.2P1449P1449-L1451 VanDerWaalsContact C-N 3.33Å; P1449-L1451 WeakPolarHBondContact O-CG 3.48Å; P1449-L1451 PolarHBondContact O-N 3.36Å
1452A62Low53.1Low32 Ų3277.5 Ų77.526%0.26438%0.375SS..SBendtrans172.3159.2166.300000108.1P1450 R1454 S1466P1450-A1452 VanDerWaalsContact C-N 3.25Å; P1450-A1452 PolarHBondContact O-N 3.14Å; A1452-R1454 PolarHBondContact O-N 2.96Å; A1452-S1466 VanDerWaalsContact CA-O 3.27Å; A1452-S1466 WeakPolarHBondContact CA-O 3.48Å; A1452-S1466 WeakPolarHBondContact CB-O 3.13Å
1453R71.2Confident55.5Low27 Ų2770.2 Ų70.210%0.10234%0.341CS..  trans-64.2115.9174-168.970-170.71750.7111.4D1062 I1063 H1064 H1468 R1490D1062-R1453 IonicContact OD1-NH1 3.65Å; D1062-R1453 IonicContact OD2-NE 3.76Å; I1063-R1453 PolarHBondContact O-NH1 2.73Å; H1064-R1453 VanDerWaalsContact CB-NH1 3.33Å; H1064-R1453 PolarHBondContact CD2-NH1 2.88Å; H1064-R1453 VanDerWaalsContact CD2-NH1 3.25Å; H1064-R1453 PolarHBondContact CD2-NH2 2.84Å; R1453-H1468 WeakPolarHBondContact CD-NE2 3.32Å; R1453-R1490 PolarHBondContact O-NH2 2.73Å
1454R74.3Confident57.7Low119 Ų11965 Ų6545%0.44932%0.315SS..  trans-115.8-21.2178.9-71.3-175-177.6-169.72.5114.2D1062 L1148 A1452 K1456D1062-R1454 PolarHBondContact OD2-N 3.15Å; L1148-R1454 HydrophobicContact CD2-CB 3.41Å; L1148-R1454 VanDerWaalsContact CD2-CB 3.41Å; A1452-R1454 PolarHBondContact O-N 2.96Å; R1454-K1456 PolarHBondContact O-N 3.07Å
1455I74.5Confident60.1Low4 Ų461.1 Ų61.12%0.02129%0.291CS..  trans-57.1126.2175.1-67.4163.1000109.3D1062 H1064 C1146 L1148 R1490D1062-I1455 HydrophobicContact CB-CD1 4.1Å; D1062-I1455 HydrophobicContact CB-CG1 4.08Å; D1062-I1455 WeakPolarHBondContact OD2-CG1 3.28Å; D1062-I1455 PolarHBondContact OD2-N 3.33Å; H1064-I1455 HydrophobicContact CB-CD1 3.96Å; C1146-I1455 HydrophobicContact CB-CD1 4.31Å; L1148-I1455 HydrophobicContact CB-CG1 3.94Å; I1455-R1490 PolarHBondContact O-NH1 2.98Å
1456K65.3Low62.2Low170 Ų17057.8 Ų57.874%0.73928%0.28SS*.  trans-91-33.7-173.8-67.6-178.7-178.7173.70112.4E1212 R1454 P1458E1212-K1456 WeakPolarHBondContact OE1-CB 3.38Å; E1212-K1456 PolarHBondContact OE1-N 2.78Å; R1454-K1456 PolarHBondContact O-N 3.07Å; K1456-P1458 VanDerWaalsContact O-CD 3.26Å; K1456-P1458 WeakPolarHBondContact O-CD 3.29Å
1457I58.9Low64.2Low107 Ų10753.8 Ų53.855%0.54927%0.268SS..SBendtrans-81.9113.4-178.9-57.8171.1000108.8E1212E1212-I1457 WeakPolarHBondContact OE2-CB 3.35Å; E1212-I1457 WeakPolarHBondContact OE2-CD1 3.46Å; E1212-I1457 WeakPolarHBondContact OE2-CG1 3.38Å; E1212-I1457 PolarHBondContact OE2-N 2.99Å
1458P55.2Low65.9Low36 Ų3651 Ų5123%0.23425%0.253CS..  trans-81.5125.3172.230.9-25.1000108.8K1456 S1461 W1462K1456-P1458 VanDerWaalsContact O-CD 3.26Å; K1456-P1458 WeakPolarHBondContact O-CD 3.29Å; P1458-S1461 WeakPolarHBondContact CB-O 3.49Å; P1458-W1462 HydrophobicContact CB-CD2 4.32Å; P1458-W1462 HydrophobicContact CB-CG 4.35Å; P1458-W1462 HydrophobicContact CG-CD2 3.45Å; P1458-W1462 VanDerWaalsContact CG-CD2 3.45Å; P1458-W1462 HydrophobicContact CG-CE3 3.78Å; P1458-W1462 HydrophobicContact CG-CG 3.96Å; P1458-W1462 HydrophobicContact CG-CH2 3.84Å; P1458-W1462 HydrophobicContact CG-CZ2 3.52Å; P1458-W1462 HydrophobicContact CG-CZ3 3.96Å
1459I55Low67.3Low47 Ų4750.2 Ų50.224%0.24125%0.251CS..SBendtrans-83.5-40173-56.6162.2000109.5S1066 L1144 C1146 M1214S1066-I1459 WeakPolarHBondContact OG-CB 2.98Å; S1066-I1459 WeakPolarHBondContact OG-CD1 3.32Å; S1066-I1459 WeakPolarHBondContact OG-CG2 3.17Å; L1144-I1459 HydrophobicContact CD1-CG2 3.72Å; C1146-I1459 HydrophobicContact CB-CD1 4.35Å; M1214-I1459 HydrophobicContact CE-CD1 3.43Å; M1214-I1459 VanDerWaalsContact CE-CD1 3.43Å; M1214-I1459 HydrophobicContact CE-CG1 4.39Å; M1214-I1459 HydrophobicContact SD-CD1 3.74Å
1460D59.7Low68.7Low58 Ų5848.8 Ų48.831%0.3124%0.24SC..SBendtrans-124.5-29-176.8-61.1-24.5000114.1S1066 G1067 V1628S1066-D1460 WeakPolarHBondContact CA-OD2 3.46Å; S1066-D1460 WeakPolarHBondContact CB-OD2 3.47Å; G1067-D1460 PolarHBondContact N-OD2 3.11Å; D1460-V1628 HydrophobicContact CB-CG1 4Å; D1460-V1628 WeakPolarHBondContact O-CG2 3.34Å
1461S62.6Low69.9Low20 Ų2051.9 Ų51.914%0.1425%0.254CS..  trans-149.1143.6-177158.60000114.3P1458 I1463P1458-S1461 WeakPolarHBondContact CB-O 3.49Å; S1461-I1463 VanDerWaalsContact C-N 3.35Å; S1461-I1463 PolarHBondContact OG-N 2.79Å
1462W70.1Confident70.9Confident95 Ų9547.1 Ų47.136%0.3623%0.229SC..SBendtrans-88.31.7177-66.981.5000114.2P1458 R1490 F1491P1458-W1462 HydrophobicContact CB-CD2 4.32Å; P1458-W1462 HydrophobicContact CB-CG 4.35Å; P1458-W1462 HydrophobicContact CG-CD2 3.45Å; P1458-W1462 VanDerWaalsContact CG-CD2 3.45Å; P1458-W1462 HydrophobicContact CG-CE3 3.78Å; P1458-W1462 HydrophobicContact CG-CG 3.96Å; P1458-W1462 HydrophobicContact CG-CH2 3.84Å; P1458-W1462 HydrophobicContact CG-CZ2 3.52Å; P1458-W1462 HydrophobicContact CG-CZ3 3.96Å; W1462-R1490 PolarHBondContact O-N 3.25Å; W1462-F1491 HydrophobicContact CB-CD2 3.82Å; W1462-F1491 HydrophobicContact CB-CE2 3.61Å; W1462-F1491 HydrophobicContact CB-CZ 4.18Å; W1462-F1491 AromaticContact CD1-CE2 3.46Å; W1462-F1491 VanDerWaalsContact CD1-CE2 3.46Å; W1462-F1491 AromaticContact CD1-CZ 3.26Å; W1462-F1491 HydrophobicContact CD2-CD1 4.2Å; W1462-F1491 HydrophobicContact CD2-CD2 4.45Å; W1462-F1491 AromaticContact CD2-CE1 3.75Å; W1462-F1491 HydrophobicContact CD2-CE1 3.75Å; W1462-F1491 HydrophobicContact CD2-CE2 4.04Å; W1462-F1491 AromaticContact CD2-CZ 3.68Å; W1462-F1491 HydrophobicContact CD2-CZ 3.68Å; W1462-F1491 AromaticContact CE2-CE1 3.75Å; W1462-F1491 AromaticContact CE2-CZ 3.68Å; W1462-F1491 HydrophobicContact CE3-CD1 4.33Å; W1462-F1491 HydrophobicContact CE3-CE1 4.26Å; W1462-F1491 AromaticContact CG-CD2 3.96Å; W1462-F1491 HydrophobicContact CG-CD2 3.96Å; W1462-F1491 HydrophobicContact CG-CE1 4.02Å; W1462-F1491 AromaticContact CG-CE2 3.4Å; W1462-F1491 HydrophobicContact CG-CE2 3.4Å; W1462-F1491 HydrophobicContact CG-CG 4.49Å; W1462-F1491 AromaticContact CG-CZ 3.44Å; W1462-F1491 HydrophobicContact CG-CZ 3.44Å; W1462-F1491 VanDerWaalsContact CG-CZ 3.44Å; W1462-F1491 HydrophobicContact CZ2-CE1 4.26Å; W1462-F1491 AromaticContact NE1-CE1 3.94Å; W1462-F1491 AromaticContact NE1-CZ 3.4Å
1463I78.5Confident71.5Confident13 Ų1350.4 Ų50.47%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-92131.5179.2-68.1174.2000109.4S1461 M1487 T1488 N1489 Y1506 I1530 L1559S1461-I1463 VanDerWaalsContact C-N 3.35Å; S1461-I1463 PolarHBondContact OG-N 2.79Å; I1463-M1487 HydrophobicContact CG2-CG 3.55Å; I1463-M1487 HydrophobicContact CG2-SD 3.88Å; I1463-T1488 WeakPolarHBondContact CA-O 3.48Å; I1463-N1489 HydrophobicContact CG1-CB 4.4Å; I1463-Y1506 VanDerWaalsContact CD1-CB 3.5Å; I1463-Y1506 HydrophobicContact CD1-CD1 4.2Å; I1463-Y1506 HydrophobicContact CD1-CD2 3.56Å; I1463-Y1506 HydrophobicContact CD1-CE2 4.32Å; I1463-Y1506 HydrophobicContact CD1-CG 3.48Å; I1463-Y1506 VanDerWaalsContact CD1-CG 3.48Å; I1463-Y1506 HydrophobicContact CG1-CD2 4.14Å; I1463-Y1506 HydrophobicContact CG1-CG 4.49Å; I1463-I1530 HydrophobicContact CD1-CG2 3.6Å; I1463-I1530 HydrophobicContact CG1-CG2 4.41Å; I1463-L1559 HydrophobicContact CB-CD1 3.75Å; I1463-L1559 HydrophobicContact CD1-CD1 3.66Å; I1463-L1559 HydrophobicContact CD1-CD2 3.56Å; I1463-L1559 HydrophobicContact CD1-CG 4.13Å; I1463-L1559 HydrophobicContact CG1-CD1 4.19Å; I1463-L1559 HydrophobicContact CG2-CD1 4.05Å
1464S77.4Confident71.7Confident10 Ų1051 Ų517%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-125.5143177.4660000111.7T1488 R1490S1464-T1488 PolarHBondContact N-O 3.26Å; S1464-T1488 PolarHBondContact O-N 2.83Å; S1464-R1490 VanDerWaalsContact CB-CZ 3.41Å; S1464-R1490 VanDerWaalsContact CB-NE 3.3Å; S1464-R1490 PolarHBondContact OG-NE 3.11Å; S1464-R1490 PolarHBondContact OG-NH2 2.83Å; S1464-R1490 VanDerWaalsContact OG-NH2 3.15Å
1465L81Confident71.9Confident2 Ų245.4 Ų45.41%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-93.6147.5168-64.5175000110.6H1467 I1485 H1486 M1487 W1510 V1630 L1632L1465-H1467 VanDerWaalsContact C-N 3.27Å; L1465-H1467 WeakPolarHBondContact CB-O 3.38Å; L1465-H1467 PolarHBondContact O-N 2.59Å; L1465-I1485 HydrophobicContact CD2-CD1 4.39Å; L1465-H1486 WeakPolarHBondContact CA-O 3.44Å; L1465-M1487 HydrophobicContact CD2-CB 3.81Å; L1465-M1487 HydrophobicContact CD2-CE 3.94Å; L1465-M1487 HydrophobicContact CD2-CG 3.94Å; L1465-W1510 HydrophobicContact CD1-CH2 3.96Å; L1465-W1510 HydrophobicContact CD1-CZ2 4.49Å; L1465-W1510 HydrophobicContact CD2-CZ2 4.34Å; L1465-V1630 HydrophobicContact CD1-CG1 3.46Å; L1465-V1630 VanDerWaalsContact CD1-CG1 3.46Å; L1465-V1630 HydrophobicContact CG-CG1 3.65Å; L1465-L1632 HydrophobicContact CD1-CB 4.31Å
1466S78.7Confident71.9Confident29 Ų2945.5 Ų45.520%0.20322%0.224CC..SBendtrans-59.9-37.4168.854.10000112.3A1452 H1486A1452-S1466 VanDerWaalsContact CA-O 3.27Å; A1452-S1466 WeakPolarHBondContact CA-O 3.48Å; A1452-S1466 WeakPolarHBondContact CB-O 3.13Å; S1466-H1486 PolarHBondContact N-O 2.85Å; S1466-H1486 PolarHBondContact OG-N 3.1Å; S1466-H1486 PolarHBondContact OG-O 2.85Å
1467H78.2Confident72.4Confident88 Ų8840 Ų4041%0.40720%0.202SC..  trans-136.5141.8-179.5-63.379.8000110.2L1465 I1485 L1632L1465-H1467 VanDerWaalsContact C-N 3.27Å; L1465-H1467 WeakPolarHBondContact CB-O 3.38Å; L1465-H1467 PolarHBondContact O-N 2.59Å; H1467-I1485 HydrophobicContact CB-CG2 4.43Å; H1467-L1632 VanDerWaalsContact O-CD1 3.24Å; H1467-L1632 WeakPolarHBondContact O-CD1 3.5Å
1468H77.1Confident73Confident8 Ų835.2 Ų35.24%0.03718%0.179CC..SBendtrans-105.2-14.9172.3-68.4-63.1000113V1075 R1453 Y1631 T1633V1075-H1468 HydrophobicContact CG2-CB 4.32Å; V1075-H1468 WeakPolarHBondContact CG2-O 3.11Å; R1453-H1468 WeakPolarHBondContact CD-NE2 3.32Å; H1468-Y1631 PolarHBondContact ND1-O 2.78Å; H1468-T1633 PolarHBondContact O-N 3.13Å
1469L79.6Confident73.9Confident20 Ų2033.7 Ų33.711%0.10517%0.169CC..EExtended strand (participates in β ladder)trans-134131.3-179.6179.359000109.4V1075 P1449 E1471 T1633 N1635V1075-L1469 HydrophobicContact CG1-CD1 4.2Å; V1075-L1469 HydrophobicContact CG1-CD2 4.42Å; V1075-L1469 HydrophobicContact CG2-CB 3.8Å; V1075-L1469 HydrophobicContact CG2-CD1 4.42Å; P1449-L1469 HydrophobicContact CB-CD2 4.02Å; L1469-E1471 HydrophobicContact CD1-CG 4.29Å; L1469-E1471 HydrophobicContact CD2-CG 4.02Å; L1469-E1471 HydrophobicContact CG-CG 4.03Å; L1469-T1633 CarbonylContact C-O 3.49Å; L1469-T1633 WeakPolarHBondContact CA-O 3.41Å; L1469-T1633 HydrophobicContact CD1-CG2 4.23Å; L1469-N1635 HydrophobicContact CD1-CB 4.42Å
1470I78.4Confident74.8Confident14 Ų1432.6 Ų32.67%0.07217%0.165CC..EExtended strand (participates in β ladder)trans-114.9105.7168.4-61.4173.8000107.1L1472 R1483 I1485 V1540 L1632 T1633 I1634 N1635I1470-L1472 HydrophobicContact CG2-CD2 3.67Å; I1470-L1472 HydrophobicContact CG2-CG 3.93Å; I1470-R1483 HydrophobicContact CD1-CB 4.15Å; I1470-R1483 HydrophobicContact CG2-CG 3.89Å; I1470-I1485 HydrophobicContact CD1-CG2 4.11Å; I1470-V1540 HydrophobicContact CD1-CB 4.36Å; I1470-V1540 HydrophobicContact CD1-CG1 4.27Å; I1470-V1540 HydrophobicContact CD1-CG2 4.41Å; I1470-L1632 HydrophobicContact CD1-CD1 4.08Å; I1470-L1632 HydrophobicContact CD1-CD2 3.87Å; I1470-L1632 HydrophobicContact CD1-CG 4.27Å; I1470-L1632 HydrophobicContact CG1-CD1 4.09Å; I1470-T1633 PolarHBondContact N-O 3.16Å; I1470-I1634 HydrophobicContact CB-CG1 4.33Å; I1470-I1634 HydrophobicContact CD1-CG1 4.39Å; I1470-I1634 WeakPolarHBondContact O-CA 3.34Å; I1470-N1635 PolarHBondContact O-N 2.93Å
1471E75.3Confident75.7Confident73 Ų7331.2 Ų31.234%0.34116%0.16SC..EExtended strand (participates in β ladder)trans-88.8111.9170.5-79.8179.316800109.8L1469 N1635L1469-E1471 HydrophobicContact CD1-CG 4.29Å; L1469-E1471 HydrophobicContact CD2-CG 4.02Å; L1469-E1471 HydrophobicContact CG-CG 4.03Å; E1471-N1635 HydrophobicContact CG-CB 4.29Å
1472L76.2Confident76.6Confident17 Ų1732.7 Ų32.79%0.08916%0.163CC..EExtended strand (participates in β ladder)trans-97.4-4.9175.7-60176.5000112.3I1470 I1475 C1481 R1483 F1542 I1634 N1635 A1636I1470-L1472 HydrophobicContact CG2-CD2 3.67Å; I1470-L1472 HydrophobicContact CG2-CG 3.93Å; L1472-I1475 HydrophobicContact CB-CD1 3.36Å; L1472-I1475 HydrophobicContact CB-CG1 4.05Å; L1472-I1475 HydrophobicContact CD1-CD1 3.66Å; L1472-I1475 HydrophobicContact CG-CD1 4.13Å; L1472-C1481 HydrophobicContact CD1-CB 4.13Å; L1472-C1481 HydrophobicContact CD2-CB 4.08Å; L1472-R1483 HydrophobicContact CD2-CG 4.26Å; L1472-F1542 HydrophobicContact CD1-CB 3.58Å; L1472-F1542 HydrophobicContact CD1-CD1 3.76Å; L1472-F1542 HydrophobicContact CD1-CD2 4.11Å; L1472-F1542 HydrophobicContact CD1-CG 3.54Å; L1472-I1634 HydrophobicContact CD1-CG2 3.75Å; L1472-I1634 HydrophobicContact CG-CG2 4.28Å; L1472-N1635 PolarHBondContact N-O 2.85Å; L1472-A1636 HydrophobicContact CB-CB 4.25Å
1473N74.1Confident77.2Confident101 Ų10134.3 Ų34.354%0.5417%0.169SC..EExtended strand (participates in β ladder)trans52.7-136.3-179.3-61.1-23.5000112A1636 E1637N1473-A1636 WeakPolarHBondContact O-CA 3.47Å; N1473-E1637 PolarHBondContact O-N 2.81Å
1474R76.6Confident77.4Confident39 Ų3936 Ų3615%0.14718%0.178CC..EExtended strand (participates in β ladder)trans-83.6122.8-177.6-75.6175.2-177.8141.45.2111.5K1401 E1637 I1639 V1649K1401-R1474 PolarHBondContact O-NH2 2.83Å; R1474-E1637 WeakPolarHBondContact CA-O 3.49Å; R1474-E1637 HydrophobicContact CG-CB 4.1Å; R1474-E1637 HydrophobicContact CG-CG 4.35Å; R1474-E1637 WeakPolarHBondContact CG-OE2 3.19Å; R1474-E1637 IonicContact CZ-OE2 2.69Å; R1474-E1637 IonicContact NE-OE2 2.86Å; R1474-E1637 PolarHBondContact NE-OE2 3.14Å; R1474-E1637 IonicContact NH2-OE2 2.86Å; R1474-I1639 HydrophobicContact CB-CD1 4.18Å; R1474-V1649 HydrophobicContact CB-CG2 4.46Å
1475I77.1Confident77.7Confident3 Ų335.7 Ų35.72%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-126.8131.6-176-54.5178.4000109.1L1472 T1479 F1542 A1544 A1636 E1637 I1638 I1639L1472-I1475 HydrophobicContact CB-CD1 3.36Å; L1472-I1475 HydrophobicContact CB-CG1 4.05Å; L1472-I1475 HydrophobicContact CD1-CD1 3.66Å; L1472-I1475 HydrophobicContact CG-CD1 4.13Å; I1475-T1479 WeakPolarHBondContact CG2-OG1 3.45Å; I1475-F1542 HydrophobicContact CD1-CD1 3.75Å; I1475-F1542 HydrophobicContact CD1-CE1 3.63Å; I1475-A1544 HydrophobicContact CG2-CB 3.68Å; I1475-A1636 HydrophobicContact CD1-CB 3.52Å; I1475-A1636 HydrophobicContact CG1-CB 4.28Å; I1475-E1637 PolarHBondContact N-O 2.82Å; I1475-I1638 CarbonylContact O-C 3.53Å; I1475-I1638 WeakPolarHBondContact O-CA 3.25Å; I1475-I1639 WeakPolarHBondContact O-CG1 3.49Å; I1475-I1639 PolarHBondContact O-N 3.29Å
1476I75.9Confident77.9Confident6 Ų638 Ų383%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-77.9140.4-179.9-52.4176.6000109.6G1478 T1479 A1544 I1639 D1641 A1644 V1649I1476-G1478 PolarHBondContact O-N 2.86Å; I1476-T1479 HydrophobicContact CB-CG2 3.88Å; I1476-T1479 WeakPolarHBondContact O-CB 3.17Å; I1476-T1479 WeakPolarHBondContact O-CG2 3.49Å; I1476-T1479 PolarHBondContact O-N 3.06Å; I1476-T1479 VanDerWaalsContact O-N 3.08Å; I1476-T1479 PolarHBondContact O-OG1 3.4Å; I1476-A1544 WeakPolarHBondContact O-CB 3.32Å; I1476-I1639 WeakPolarHBondContact CA-O 3.44Å; I1476-I1639 HydrophobicContact CG1-CD1 4.48Å; I1476-I1639 HydrophobicContact CG1-CG1 4.33Å; I1476-D1641 WeakPolarHBondContact CG2-OD1 3.37Å; I1476-A1644 HydrophobicContact CD1-CB 3.52Å; I1476-A1644 HydrophobicContact CG1-CB 3.73Å; I1476-V1649 HydrophobicContact CD1-CG1 4.28Å; I1476-V1649 HydrophobicContact CG1-CG1 4.38Å
1477I75.3Confident78.2Confident53 Ų5336.6 Ų36.627%0.27218%0.176SC..THydrogen-bonded Turntrans-50.9132.5172.4-67.9164.6000110.1A1544 P1548 I1638 I1639 N1640I1477-A1544 WeakPolarHBondContact CA-O 3.49Å; I1477-P1548 HydrophobicContact CD1-CG 3.92Å; I1477-I1638 HydrophobicContact CD1-CG2 4.29Å; I1477-I1638 HydrophobicContact CG1-CG2 3.39Å; I1477-I1639 WeakPolarHBondContact CG1-O 3.16Å; I1477-I1639 PolarHBondContact N-O 3.17Å; I1477-N1640 HydrophobicContact CD1-CB 4.37Å
1478G70.1Confident78.4Confident7 Ų734.3 Ų34.37%0.07217%0.168CC..THydrogen-bonded Turntrans91.5-8.1-178.700000115.1I1476 A1544 D1659 Q1662I1476-G1478 PolarHBondContact O-N 2.86Å; G1478-A1544 PolarHBondContact N-O 2.91Å; G1478-D1659 PolarHBondContact O-N 2.77Å; G1478-Q1662 PolarHBondContact O-NE2 3.41Å
1479T74.2Confident78.6Confident4 Ų433.9 Ų33.93%0.02517%0.166CC..BIsolated β-bridgetrans-84.6152176.461.40000112I1475 I1476 A1544 F1657I1475-T1479 WeakPolarHBondContact CG2-OG1 3.45Å; I1476-T1479 HydrophobicContact CB-CG2 3.88Å; I1476-T1479 WeakPolarHBondContact O-CB 3.17Å; I1476-T1479 WeakPolarHBondContact O-CG2 3.49Å; I1476-T1479 PolarHBondContact O-N 3.06Å; I1476-T1479 VanDerWaalsContact O-N 3.08Å; I1476-T1479 PolarHBondContact O-OG1 3.4Å; T1479-A1544 PolarHBondContact O-N 3.19Å; T1479-F1657 WeakPolarHBondContact CG2-O 3.32Å
1480C75.6Confident78.3Confident24 Ų2437.6 Ų37.616%0.16218%0.179CC..EExtended strand (participates in β ladder)trans-118.5133.2178.2-168.50000109.5T1541 F1542 D1659C1480-T1541 WeakPolarHBondContact SG-CG2 2.99Å; C1480-F1542 CarbonylContact C-O 3.58Å; C1480-F1542 WeakPolarHBondContact CA-O 3.28Å; C1480-D1659 HydrophobicContact CB-CB 4.39Å
1481C78.5Confident77.7Confident30 Ų3037.3 Ų37.320%0.20318%0.177CC..EExtended strand (participates in β ladder)trans-122.3126.2179.9-72.60000109.6L1472 T1541 F1542L1472-C1481 HydrophobicContact CD1-CB 4.13Å; L1472-C1481 HydrophobicContact CD2-CB 4.08Å; C1481-T1541 CarbonylContact O-C 3.54Å; C1481-T1541 WeakPolarHBondContact O-CA 3.38Å; C1481-F1542 HydrophobicContact CB-CB 4.44Å; C1481-F1542 PolarHBondContact N-O 3.14Å; C1481-F1542 PolarHBondContact O-N 3.25Å
1482R80.4Confident76.9Confident51 Ų5137 Ų3719%0.19218%0.183CC..EExtended strand (participates in β ladder)trans-111138.4177.7-61.9174.5-170-172.3-0110.7L1539 V1540 T1541 D1823R1482-L1539 HydrophobicContact CB-CD1 4.17Å; R1482-V1540 CarbonylContact C-O 3.59Å; R1482-V1540 WeakPolarHBondContact CA-O 3.15Å; R1482-T1541 HydrophobicContact CG-CG2 4.01Å; R1482-D1823 IonicContact CZ-OD1 3.78Å; R1482-D1823 IonicContact NH1-OD1 3.66Å; R1482-D1823 PolarHBondContact NH1-OD1 2.96Å; R1482-D1823 IonicContact NH2-OD1 3.53Å; R1482-D1823 PolarHBondContact NH2-OD1 2.84Å
1483R82.5Confident75.7Confident128 Ų12840.3 Ų40.348%0.48321%0.208SC..EExtended strand (participates in β ladder)trans-139.7134176.1-71.7-68-178.4-96.94.1110I1470 L1472 V1540I1470-R1483 HydrophobicContact CD1-CB 4.15Å; I1470-R1483 HydrophobicContact CG2-CG 3.89Å; L1472-R1483 HydrophobicContact CD2-CG 4.26Å; R1483-V1540 PolarHBondContact N-O 3.29Å; R1483-V1540 PolarHBondContact O-N 2.86Å
1484I83.2Confident74.5Confident49 Ų4940.7 Ų40.725%0.25121%0.21SC..EExtended strand (participates in β ladder)trans-94.8132173.6-63.3169.3000107.9Q1537 E1538 L1539 L1833I1484-Q1537 HydrophobicContact CG2-CB 4.31Å; I1484-E1538 WeakPolarHBondContact CA-O 3.42Å; I1484-L1539 HydrophobicContact CG1-CD1 3.9Å; I1484-L1833 HydrophobicContact CD1-CD1 3.69Å
1485I83.4Confident73Confident3 Ų343.6 Ų43.62%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-123.5146.117158.4165.1000109.9L1465 H1467 I1470 I1523 E1538 V1540 L1632L1465-I1485 HydrophobicContact CD2-CD1 4.39Å; H1467-I1485 HydrophobicContact CB-CG2 4.43Å; I1470-I1485 HydrophobicContact CD1-CG2 4.11Å; I1485-I1523 HydrophobicContact CD1-CD1 4.47Å; I1485-E1538 HydrophobicContact CD1-CB 4.41Å; I1485-E1538 HydrophobicContact CG1-CB 3.93Å; I1485-E1538 PolarHBondContact N-O 2.87Å; I1485-E1538 PolarHBondContact O-N 3.5Å; I1485-V1540 HydrophobicContact CD1-CG2 4Å; I1485-V1540 HydrophobicContact CG1-CG2 4.04Å; I1485-L1632 HydrophobicContact CD1-CD1 4.4Å; I1485-L1632 HydrophobicContact CD1-CD2 3.55Å
1486H85Confident71.8Confident51 Ų5150.5 Ų50.524%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-98.9131.8173.7-59.190.6000111L1465 S1466 T1535 I1536 Q1537L1465-H1486 WeakPolarHBondContact CA-O 3.44Å; S1466-H1486 PolarHBondContact N-O 2.85Å; S1466-H1486 PolarHBondContact OG-N 3.1Å; S1466-H1486 PolarHBondContact OG-O 2.85Å; H1486-T1535 HydrophobicContact CB-CG2 3.78Å; H1486-I1536 WeakPolarHBondContact CA-O 3.03Å; H1486-Q1537 PolarHBondContact NE2-NE2 2.91Å
1487M85.8Confident70.5Confident0 Ų061.1 Ų61.10%030%0.304CS..EExtended strand (participates in β ladder)trans-107.7119.9168.2-175.1-174.4-64.400108.8I1463 L1465 F1508 W1510 I1530 T1535 I1536 E1538 C1557I1463-M1487 HydrophobicContact CG2-CG 3.55Å; I1463-M1487 HydrophobicContact CG2-SD 3.88Å; L1465-M1487 HydrophobicContact CD2-CB 3.81Å; L1465-M1487 HydrophobicContact CD2-CE 3.94Å; L1465-M1487 HydrophobicContact CD2-CG 3.94Å; M1487-F1508 HydrophobicContact CE-CD2 4.46Å; M1487-F1508 HydrophobicContact SD-CD1 4.48Å; M1487-F1508 HydrophobicContact SD-CG 4.38Å; M1487-W1510 HydrophobicContact CE-CZ2 3.58Å; M1487-I1530 HydrophobicContact CG-CD1 4.05Å; M1487-I1530 VanDerWaalsContact O-CD1 3.32Å; M1487-I1530 WeakPolarHBondContact O-CD1 3.45Å; M1487-I1530 HydrophobicContact SD-CD1 4.4Å; M1487-T1535 CarbonylContact O-C 3.53Å; M1487-T1535 VanDerWaalsContact O-CA 3.31Å; M1487-T1535 WeakPolarHBondContact O-CA 3.3Å; M1487-I1536 PolarHBondContact N-O 2.96Å; M1487-I1536 PolarHBondContact O-N 3.21Å; M1487-E1538 WeakPolarHBondContact CE-OE1 3.08Å; M1487-C1557 HydrophobicContact CE-CB 4.48Å
1488T82Confident69Low39 Ų3961.6 Ų61.624%0.23931%0.307CS..EExtended strand (participates in β ladder)trans-119.6132.6-176-55.70000110.9I1463 S1464 T1535I1463-T1488 WeakPolarHBondContact CA-O 3.48Å; S1464-T1488 PolarHBondContact N-O 3.26Å; S1464-T1488 PolarHBondContact O-N 2.83Å; T1488-T1535 VanDerWaalsContact CG2-OG1 3.31Å; T1488-T1535 WeakPolarHBondContact CG2-OG1 3.1Å; T1488-T1535 WeakPolarHBondContact OG1-CG2 3.46Å; T1488-T1535 PolarHBondContact OG1-OG1 3.29Å
1489N82Confident67.9Low0 Ų065.4 Ų65.40%033%0.33CS..EExtended strand (participates in β ladder)trans-89.7110.2167.8-177.6-16000109.4I1463 F1491 I1530 K1531 P1532 G1533 Q1534I1463-N1489 HydrophobicContact CG1-CB 4.4Å; N1489-F1491 PolarHBondContact O-N 2.91Å; N1489-F1491 VanDerWaalsContact OD1-CD2 3.26Å; N1489-F1491 WeakPolarHBondContact OD1-CD2 3.31Å; N1489-F1491 PolarHBondContact OD1-N 2.86Å; N1489-I1530 HydrophobicContact CB-CD1 3.94Å; N1489-I1530 HydrophobicContact CB-CG1 3.89Å; N1489-I1530 HydrophobicContact CB-CG2 4.49Å; N1489-K1531 WeakPolarHBondContact CB-O 3.19Å; N1489-K1531 PolarHBondContact ND2-O 2.83Å; N1489-P1532 WeakPolarHBondContact ND2-CA 3.46Å; N1489-G1533 VanDerWaalsContact O-CA 3.27Å; N1489-G1533 WeakPolarHBondContact O-CA 3.36Å; N1489-G1533 PolarHBondContact O-N 2.79Å; N1489-Q1534 PolarHBondContact N-O 2.84Å
1490R72.3Confident66.7Low97 Ų9769.9 Ų69.937%0.36636%0.357SS..  trans-78.53.3-172.4-63.4-175.6179.6177.4-3.8114.9R1453 I1455 W1462 S1464 S1492R1453-R1490 PolarHBondContact O-NH2 2.73Å; I1455-R1490 PolarHBondContact O-NH1 2.98Å; W1462-R1490 PolarHBondContact O-N 3.25Å; S1464-R1490 VanDerWaalsContact CB-CZ 3.41Å; S1464-R1490 VanDerWaalsContact CB-NE 3.3Å; S1464-R1490 PolarHBondContact OG-NE 3.11Å; S1464-R1490 PolarHBondContact OG-NH2 2.83Å; S1464-R1490 VanDerWaalsContact OG-NH2 3.15Å; R1490-S1492 PolarHBondContact O-N 3.07Å
1491F66.9Low65.3Low9 Ų974.5 Ų74.54%0.03938%0.38CS..  trans-59.7131.4174.3-86.9-66.4000111W1462 N1489 S1493 N1502 Y1506 P1532 G1533W1462-F1491 HydrophobicContact CB-CD2 3.82Å; W1462-F1491 HydrophobicContact CB-CE2 3.61Å; W1462-F1491 HydrophobicContact CB-CZ 4.18Å; W1462-F1491 AromaticContact CD1-CE2 3.46Å; W1462-F1491 VanDerWaalsContact CD1-CE2 3.46Å; W1462-F1491 AromaticContact CD1-CZ 3.26Å; W1462-F1491 HydrophobicContact CD2-CD1 4.2Å; W1462-F1491 HydrophobicContact CD2-CD2 4.45Å; W1462-F1491 AromaticContact CD2-CE1 3.75Å; W1462-F1491 HydrophobicContact CD2-CE1 3.75Å; W1462-F1491 HydrophobicContact CD2-CE2 4.04Å; W1462-F1491 AromaticContact CD2-CZ 3.68Å; W1462-F1491 HydrophobicContact CD2-CZ 3.68Å; W1462-F1491 AromaticContact CE2-CE1 3.75Å; W1462-F1491 AromaticContact CE2-CZ 3.68Å; W1462-F1491 HydrophobicContact CE3-CD1 4.33Å; W1462-F1491 HydrophobicContact CE3-CE1 4.26Å; W1462-F1491 AromaticContact CG-CD2 3.96Å; W1462-F1491 HydrophobicContact CG-CD2 3.96Å; W1462-F1491 HydrophobicContact CG-CE1 4.02Å; W1462-F1491 AromaticContact CG-CE2 3.4Å; W1462-F1491 HydrophobicContact CG-CE2 3.4Å; W1462-F1491 HydrophobicContact CG-CG 4.49Å; W1462-F1491 AromaticContact CG-CZ 3.44Å; W1462-F1491 HydrophobicContact CG-CZ 3.44Å; W1462-F1491 VanDerWaalsContact CG-CZ 3.44Å; W1462-F1491 HydrophobicContact CZ2-CE1 4.26Å; W1462-F1491 AromaticContact NE1-CE1 3.94Å; W1462-F1491 AromaticContact NE1-CZ 3.4Å; N1489-F1491 PolarHBondContact O-N 2.91Å; N1489-F1491 VanDerWaalsContact OD1-CD2 3.26Å; N1489-F1491 WeakPolarHBondContact OD1-CD2 3.31Å; N1489-F1491 PolarHBondContact OD1-N 2.86Å; F1491-S1493 PolarHBondContact O-N 2.99Å; F1491-N1502 HydrophobicContact CD1-CB 4.35Å; F1491-N1502 WeakPolarHBondContact CD1-O 3.44Å; F1491-N1502 HydrophobicContact CE1-CB 3.73Å; F1491-N1502 WeakPolarHBondContact CE1-O 3.3Å; F1491-N1502 HydrophobicContact CZ-CB 4.47Å; F1491-Y1506 HydrophobicContact CE2-CE2 4.09Å; F1491-P1532 HydrophobicContact CB-CB 3.73Å; F1491-P1532 HydrophobicContact CB-CG 4.4Å; F1491-G1533 WeakPolarHBondContact O-CA 3.48Å; F1491-G1533 PolarHBondContact O-N 2.86Å; F1491-G1533 VanDerWaalsContact O-N 3.16Å
1492S57.3Low64Low65 Ų6575.3 Ų75.346%0.45538%0.382SS..  trans-63.2132.9176.2-179.80000110.7R1490 D1494R1490-S1492 PolarHBondContact O-N 3.07Å; S1492-D1494 PolarHBondContact O-N 2.84Å; S1492-D1494 PolarHBondContact OG-N 2.93Å
1493S51.4Low62.8Low88 Ų8878.6 Ų78.662%0.61540%0.395SS*.SBendtrans-70.2-3172.454.90000113.5F1491 I1495F1491-S1493 PolarHBondContact O-N 2.99Å; S1493-I1495 WeakPolarHBondContact O-CG1 3.36Å; S1493-I1495 PolarHBondContact O-N 3.25Å
1494D48.1Very low61.9Low109 Ų10972.6 Ų72.658%0.58337%0.372SS*.  trans-72.272.3170.1-87.9-20.4000110.6S1492 N1496 R1497S1492-D1494 PolarHBondContact O-N 2.84Å; S1492-D1494 PolarHBondContact OG-N 2.93Å; D1494-N1496 PolarHBondContact O-N 2.82Å; D1494-R1497 PolarHBondContact O-N 2.8Å
1495I46.8Very low61.7Low100 Ų10073 Ų7351%0.51337%0.374SS..THydrogen-bonded Turntrans-48.2-27-178.2-73.9158000112.7S1493 R1503S1493-I1495 WeakPolarHBondContact O-CG1 3.36Å; S1493-I1495 PolarHBondContact O-N 3.25Å; I1495-R1503 PolarHBondContact O-NE 2.75Å; I1495-R1503 PolarHBondContact O-NH2 2.75Å
1496N50.5Low61.7Low148 Ų14873.6 Ų73.679%0.79138%0.377SS*.THydrogen-bonded Turntrans-92.4-5.3-166.4-67.4-24.2000116.1D1494D1494-N1496 PolarHBondContact O-N 2.82Å
1497R48.9Very low61.7Low228 Ų22874.2 Ų74.286%0.8638%0.377SS*.SBendtrans-115.9-6.3-177.6-78.6-174.2176.8161.30.6115.8D1494D1494-R1497 PolarHBondContact O-N 2.8Å
1498L43.4Very low61.9Low64 Ų6474.3 Ų74.334%0.33538%0.377SS..SBendtrans-104.2142.1-178.5-72.8152.6000111N1502L1498-N1502 HydrophobicContact CB-CB 4Å; L1498-N1502 HydrophobicContact CD2-CB 4.46Å
1499P48.4Very low62.2Low86 Ų8677.7 Ų77.756%0.55839%0.386SS*.  trans-56.1150.9174.722.7-31.8000111N1501 N1502P1499-N1501 PolarHBondContact O-N 2.83Å; P1499-N1502 WeakPolarHBondContact O-CB 3.28Å; P1499-N1502 PolarHBondContact O-N 3.08Å
1500V48.1Very low62.6Low98 Ų9877.7 Ų77.759%0.59439%0.386SS*.G310 helixtrans-52.4-30.2-173178.60000113N1502V1500-N1502 PolarHBondContact O-N 2.82Å; V1500-N1502 VanDerWaalsContact O-N 3.15Å
1501N47.5Very low63.3Low122 Ų12276.1 Ų76.165%0.65238%0.381SS*.G310 helixtrans-64.9-12.6176.6-62.113.5000114.4P1499P1499-N1501 PolarHBondContact O-N 2.83Å
1502N50.2Low64.2Low46 Ų4676.3 Ų76.325%0.24638%0.383CS..G310 helixtrans-102.525.4-176.4-85.5-3.5000113.6F1491 L1498 P1499 V1500F1491-N1502 HydrophobicContact CD1-CB 4.35Å; F1491-N1502 WeakPolarHBondContact CD1-O 3.44Å; F1491-N1502 HydrophobicContact CE1-CB 3.73Å; F1491-N1502 WeakPolarHBondContact CE1-O 3.3Å; F1491-N1502 HydrophobicContact CZ-CB 4.47Å; L1498-N1502 HydrophobicContact CB-CB 4Å; L1498-N1502 HydrophobicContact CD2-CB 4.46Å; P1499-N1502 WeakPolarHBondContact O-CB 3.28Å; P1499-N1502 PolarHBondContact O-N 3.08Å; V1500-N1502 PolarHBondContact O-N 2.82Å; V1500-N1502 VanDerWaalsContact O-N 3.15Å
1503R55.6Low65.3Low120 Ų12075.1 Ų75.145%0.45337%0.371SS..  trans-115.125.2-178.6-63.9-175.5-180176.30.8113.5I1495 I1505I1495-R1503 PolarHBondContact O-NE 2.75Å; I1495-R1503 PolarHBondContact O-NH2 2.75Å; R1503-I1505 PolarHBondContact O-N 2.86Å
1504S64.3Low66.8Low2 Ų272.6 Ų72.61%0.01435%0.349CS..PPolyproline II helixtrans-74.8127.2-166.9-61.90000113.6D1561S1504-D1561 VanDerWaalsContact CB-OD1 3.24Å; S1504-D1561 WeakPolarHBondContact CB-OD1 3.26Å; S1504-D1561 WeakPolarHBondContact CB-OD2 3.2Å; S1504-D1561 VanDerWaalsContact OG-CG 3.26Å; S1504-D1561 PolarHBondContact OG-OD1 2.89Å; S1504-D1561 PolarHBondContact OG-OD2 3.36Å
1505I77.8Confident68.1Low58 Ų5872.1 Ų72.130%0.29735%0.352SS..PPolyproline II helixtrans-83.5131.9164.2-62.8170.1000106.5R1503 R1529 K1531 E1562R1503-I1505 PolarHBondContact O-N 2.86Å; I1505-R1529 HydrophobicContact CG2-CB 4.5Å; I1505-K1531 HydrophobicContact CG1-CG 4.44Å; I1505-E1562 WeakPolarHBondContact O-CB 3.48Å; I1505-E1562 PolarHBondContact O-N 3.42Å
1506Y83.4Confident69.4Low16 Ų1673 Ų736%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-103.7135.5176.2-69.7-88.8000110.6I1463 F1491 R1529 I1530 L1559 I1560 D1561I1463-Y1506 VanDerWaalsContact CD1-CB 3.5Å; I1463-Y1506 HydrophobicContact CD1-CD1 4.2Å; I1463-Y1506 HydrophobicContact CD1-CD2 3.56Å; I1463-Y1506 HydrophobicContact CD1-CE2 4.32Å; I1463-Y1506 HydrophobicContact CD1-CG 3.48Å; I1463-Y1506 VanDerWaalsContact CD1-CG 3.48Å; I1463-Y1506 HydrophobicContact CG1-CD2 4.14Å; I1463-Y1506 HydrophobicContact CG1-CG 4.49Å; F1491-Y1506 HydrophobicContact CE2-CE2 4.09Å; Y1506-R1529 CarbonylContact O-C 3.5Å; Y1506-R1529 WeakPolarHBondContact O-CA 3.25Å; Y1506-I1530 PolarHBondContact N-O 2.85Å; Y1506-I1530 VanDerWaalsContact N-O 3.14Å; Y1506-I1530 PolarHBondContact O-N 2.76Å; Y1506-L1559 HydrophobicContact CD1-CB 4.19Å; Y1506-I1560 WeakPolarHBondContact CA-O 3.33Å; Y1506-D1561 HydrophobicContact CD1-CB 4.17Å; Y1506-D1561 HydrophobicContact CE1-CB 3.8Å
1507R86.2Confident70.8Confident64 Ų6466.1 Ų66.124%0.24232%0.32CS..EExtended strand (participates in β ladder)trans-92.4128165-176.3168.656.578.9-3.2108.3G1528 I1560 E1562 E1565R1507-G1528 WeakPolarHBondContact CA-O 3.36Å; R1507-I1560 PolarHBondContact N-O 2.9Å; R1507-I1560 VanDerWaalsContact NH2-CD1 3.33Å; R1507-I1560 PolarHBondContact O-N 2.85Å; R1507-E1562 HydrophobicContact CB-CG 4.24Å; R1507-E1565 IonicContact CZ-OE2 2.7Å; R1507-E1565 IonicContact NE-OE2 3.54Å; R1507-E1565 VanDerWaalsContact NH2-CD 3.33Å; R1507-E1565 IonicContact NH2-OE1 3.6Å; R1507-E1565 PolarHBondContact NH2-OE1 2.95Å; R1507-E1565 IonicContact NH2-OE2 2.87Å; R1507-E1565 PolarHBondContact NH2-OE2 3.32Å
1508F88.8Confident72.1Confident1 Ų157.9 Ų57.90%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-114.7146.4-178.170-93.1000111.9M1487 W1510 P1525 I1527 G1528 I1536 E1538 E1558 L1559M1487-F1508 HydrophobicContact CE-CD2 4.46Å; M1487-F1508 HydrophobicContact SD-CD1 4.48Å; M1487-F1508 HydrophobicContact SD-CG 4.38Å; F1508-W1510 AromaticContact CD2-CD1 3.93Å; F1508-W1510 AromaticContact CD2-NE1 3.95Å; F1508-P1525 HydrophobicContact CE2-CG 4.35Å; F1508-P1525 HydrophobicContact CZ-CG 4.05Å; F1508-I1527 WeakPolarHBondContact O-CA 3.42Å; F1508-G1528 WeakPolarHBondContact CD1-O 3.46Å; F1508-G1528 VanDerWaalsContact CZ-CA 3.46Å; F1508-G1528 PolarHBondContact N-O 2.9Å; F1508-G1528 PolarHBondContact O-N 2.91Å; F1508-G1528 VanDerWaalsContact O-N 3.11Å; F1508-I1536 HydrophobicContact CE1-CD1 3.58Å; F1508-I1536 HydrophobicContact CZ-CD1 4.15Å; F1508-I1536 HydrophobicContact CZ-CG2 4.46Å; F1508-E1538 VanDerWaalsContact CE2-OE1 3.24Å; F1508-E1538 WeakPolarHBondContact CE2-OE1 3.19Å; F1508-E1558 CarbonylContact C-O 3.6Å; F1508-E1558 VanDerWaalsContact CA-O 3.27Å; F1508-E1558 WeakPolarHBondContact CA-O 3.01Å; F1508-L1559 HydrophobicContact CB-CD2 3.6Å
1509R89.4Confident73.5Confident110 Ų11060.7 Ų60.742%0.41531%0.307SS..EExtended strand (participates in β ladder)trans-142.7127.7175.7176174.168.3157.33.5110.6I1527 C1557 E1558R1509-I1527 HydrophobicContact CG-CG1 4.19Å; R1509-C1557 WeakPolarHBondContact O-CA 3.29Å; R1509-E1558 IonicContact CZ-OE2 3.37Å; R1509-E1558 PolarHBondContact N-O 3.02Å; R1509-E1558 IonicContact NE-OE2 3.54Å; R1509-E1558 PolarHBondContact NE-OE2 2.81Å; R1509-E1558 IonicContact NH2-OE1 2.62Å; R1509-E1558 PolarHBondContact NH2-OE1 2.9Å; R1509-E1558 IonicContact NH2-OE2 3.34Å; R1509-E1558 PolarHBondContact NH2-OE2 2.98Å; R1509-E1558 PolarHBondContact O-N 2.98Å
1510W89.5Confident75Confident1 Ų156.8 Ų56.80%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-96138.2177.3-72.8101.6000113.6L1465 M1487 F1508 I1523 R1526 E1538 L1555 I1556 C1557 L1632L1465-W1510 HydrophobicContact CD1-CH2 3.96Å; L1465-W1510 HydrophobicContact CD1-CZ2 4.49Å; L1465-W1510 HydrophobicContact CD2-CZ2 4.34Å; M1487-W1510 HydrophobicContact CE-CZ2 3.58Å; F1508-W1510 AromaticContact CD2-CD1 3.93Å; F1508-W1510 AromaticContact CD2-NE1 3.95Å; W1510-I1523 HydrophobicContact CB-CG2 3.51Å; W1510-I1523 HydrophobicContact CD2-CD1 3.77Å; W1510-I1523 HydrophobicContact CD2-CG2 4.46Å; W1510-I1523 HydrophobicContact CE3-CD1 4.3Å; W1510-I1523 HydrophobicContact CG-CD1 4Å; W1510-I1523 HydrophobicContact CG-CG2 3.79Å; W1510-I1523 HydrophobicContact CH2-CD1 4.48Å; W1510-I1523 HydrophobicContact CZ2-CD1 3.99Å; W1510-R1526 HydrophobicContact CB-CG 4.22Å; W1510-R1526 PolarHBondContact N-O 2.82Å; W1510-R1526 PolarHBondContact O-NE 3.39Å; W1510-R1526 PolarHBondContact O-NH2 2.83Å; W1510-E1538 VanDerWaalsContact CE2-OE2 3.23Å; W1510-E1538 WeakPolarHBondContact CZ2-OE2 3.41Å; W1510-E1538 PolarHBondContact NE1-OE1 2.78Å; W1510-E1538 PolarHBondContact NE1-OE2 2.8Å; W1510-L1555 HydrophobicContact CE3-CB 3.78Å; W1510-L1555 HydrophobicContact CZ3-CB 3.63Å; W1510-I1556 WeakPolarHBondContact CA-O 3.5Å; W1510-C1557 HydrophobicContact CD2-CB 3.65Å; W1510-C1557 HydrophobicContact CE3-CB 3.64Å; W1510-C1557 HydrophobicContact CG-CB 4.49Å; W1510-C1557 HydrophobicContact CH2-CB 3.64Å; W1510-C1557 HydrophobicContact CZ2-CB 3.61Å; W1510-C1557 HydrophobicContact CZ3-CB 3.63Å; W1510-L1632 HydrophobicContact CH2-CB 3.94Å; W1510-L1632 HydrophobicContact CZ3-CB 4.04Å
1511F87.3Confident76.8Confident63 Ų6352.3 Ų52.328%0.27626%0.255SS..EExtended strand (participates in β ladder)trans-149.4164.5169.656-86.2000111.3I1556 E1558 Y1629F1511-I1556 HydrophobicContact CD2-CB 4.06Å; F1511-I1556 HydrophobicContact CD2-CD1 4.39Å; F1511-I1556 HydrophobicContact CE1-CB 4.38Å; F1511-I1556 HydrophobicContact CE1-CG2 4.18Å; F1511-I1556 HydrophobicContact CE2-CB 3.67Å; F1511-I1556 HydrophobicContact CE2-CD1 3.81Å; F1511-I1556 HydrophobicContact CE2-CG1 4.26Å; F1511-I1556 HydrophobicContact CE2-CG2 3.82Å; F1511-I1556 HydrophobicContact CZ-CB 3.84Å; F1511-I1556 HydrophobicContact CZ-CG2 3.54Å; F1511-I1556 PolarHBondContact N-O 3.06Å; F1511-I1556 PolarHBondContact O-N 2.89Å; F1511-E1558 HydrophobicContact CE1-CB 3.78Å; F1511-Y1629 HydrophobicContact CZ-CE1 4.22Å
1512T85.6Confident78.6Confident13 Ų1350.2 Ų50.28%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-93.5152.1176.251.60000110.6F1514 D1517 T1518 I1553 L1555T1512-F1514 VanDerWaalsContact C-N 3.31Å; T1512-F1514 WeakPolarHBondContact CB-O 3.31Å; T1512-F1514 PolarHBondContact O-N 3.07Å; T1512-F1514 PolarHBondContact OG1-O 3.03Å; T1512-D1517 HydrophobicContact CG2-CB 3.96Å; T1512-T1518 HydrophobicContact CG2-CG2 3.99Å; T1512-T1518 WeakPolarHBondContact OG1-CG2 3.25Å; T1512-I1553 HydrophobicContact CG2-CG2 4.17Å; T1512-L1555 HydrophobicContact CG2-CD2 3.6Å
1513E80.5Confident80.3Confident41 Ų4148.8 Ų48.819%0.19224%0.238CC..SBendtrans-58.6-42.5173.6-175171.9-132.800111.8K1283 K1554 I1556K1283-E1513 IonicContact NZ-OE2 3.67Å; K1283-E1513 PolarHBondContact NZ-OE2 3.28Å; E1513-K1554 HydrophobicContact CB-CB 4.15Å; E1513-K1554 PolarHBondContact N-O 3.47Å; E1513-K1554 IonicContact OE1-NZ 2.85Å; E1513-I1556 HydrophobicContact CB-CD1 4.27Å
1514F82.5Confident81.6Confident34 Ų3446.7 Ų46.715%0.14924%0.242CC..SBendtrans-111.9133.3172.8-56.4-71.8000110.8V1343 A1345 T1512 N1516 D1517V1343-F1514 HydrophobicContact CG1-CZ 4.26Å; A1345-F1514 HydrophobicContact CB-CD1 4.24Å; A1345-F1514 HydrophobicContact CB-CD2 4.48Å; A1345-F1514 HydrophobicContact CB-CE1 3.7Å; A1345-F1514 HydrophobicContact CB-CE2 3.98Å; A1345-F1514 HydrophobicContact CB-CZ 3.57Å; T1512-F1514 VanDerWaalsContact C-N 3.31Å; T1512-F1514 WeakPolarHBondContact CB-O 3.31Å; T1512-F1514 PolarHBondContact O-N 3.07Å; T1512-F1514 PolarHBondContact OG1-O 3.03Å; F1514-N1516 PolarHBondContact O-N 3.46Å; F1514-D1517 WeakPolarHBondContact O-CB 3.34Å; F1514-D1517 PolarHBondContact O-N 3.16Å; F1514-D1517 VanDerWaalsContact O-N 3.11Å
1515P75.5Confident82.7Confident99 Ų9948.9 Ų48.964%0.64326%0.256SS*.G310 helixtrans-57.2-35.2-179.5-26.834.3000113.7D1517 T1518P1515-D1517 PolarHBondContact O-N 3.23Å; P1515-T1518 WeakPolarHBondContact O-CB 3.29Å; P1515-T1518 PolarHBondContact O-N 3.23Å; P1515-T1518 VanDerWaalsContact O-N 3.17Å; P1515-T1518 PolarHBondContact O-OG1 3.34Å
1516N74.5Confident83Confident118 Ų11851.5 Ų51.563%0.63126%0.263SS*.G310 helixtrans-64.2-23.7-178.9-64.710.2000112.9F1514 T1518 E1519F1514-N1516 PolarHBondContact O-N 3.46Å; N1516-T1518 PolarHBondContact O-N 2.97Å; N1516-E1519 WeakPolarHBondContact O-CB 3.47Å; N1516-E1519 PolarHBondContact O-N 2.78Å
1517D80.5Confident83.3Confident4 Ų456 Ų562%0.02129%0.286CS..G310 helixtrans-70.7-18.1179.4-62.7-23.9000112.5T1512 F1514 P1515 E1519 N1520 V1521 I1553T1512-D1517 HydrophobicContact CG2-CB 3.96Å; F1514-D1517 WeakPolarHBondContact O-CB 3.34Å; F1514-D1517 PolarHBondContact O-N 3.16Å; F1514-D1517 VanDerWaalsContact O-N 3.11Å; P1515-D1517 PolarHBondContact O-N 3.23Å; D1517-E1519 PolarHBondContact O-N 3.26Å; D1517-N1520 PolarHBondContact O-N 3.42Å; D1517-V1521 PolarHBondContact O-N 3.23Å; D1517-V1521 VanDerWaalsContact O-N 3.09Å; D1517-I1553 HydrophobicContact CB-CD1 4.19Å; D1517-I1553 HydrophobicContact CB-CG1 4.1Å; D1517-I1553 HydrophobicContact CB-CG2 3.82Å
1518T75.4Confident83.4Confident55 Ų5553.8 Ų53.834%0.33728%0.284SS..G310 helixtrans-64.2-17.6174.558.60000113.3T1512 P1515 N1516 N1520T1512-T1518 HydrophobicContact CG2-CG2 3.99Å; T1512-T1518 WeakPolarHBondContact OG1-CG2 3.25Å; P1515-T1518 WeakPolarHBondContact O-CB 3.29Å; P1515-T1518 PolarHBondContact O-N 3.23Å; P1515-T1518 VanDerWaalsContact O-N 3.17Å; P1515-T1518 PolarHBondContact O-OG1 3.34Å; N1516-T1518 PolarHBondContact O-N 2.97Å; T1518-N1520 PolarHBondContact O-N 2.8Å
1519E73.9Confident83.3Confident124 Ų12461.3 Ų61.358%0.57931%0.312SS*.G310 helixtrans-71.1-22.5173.2-63.2-175.1172.700112.8N1516 D1517 N1545N1516-E1519 WeakPolarHBondContact O-CB 3.47Å; N1516-E1519 PolarHBondContact O-N 2.78Å; D1517-E1519 PolarHBondContact O-N 3.26Å; E1519-N1545 PolarHBondContact O-ND2 3.27Å
1520N78.7Confident83Confident4 Ų456.1 Ų56.12%0.02129%0.293CS..THydrogen-bonded Turntrans-107.6-22.9-177.2-70.485.7000112.5D1517 T1518 F1542 T1543 N1545 R1549 I1553D1517-N1520 PolarHBondContact O-N 3.42Å; T1518-N1520 PolarHBondContact O-N 2.8Å; N1520-F1542 HydrophobicContact CB-CE2 4.4Å; N1520-F1542 CarbonylContact O-C 3.54Å; N1520-F1542 WeakPolarHBondContact O-CA 3.35Å; N1520-T1543 PolarHBondContact ND2-O 3.19Å; N1520-T1543 PolarHBondContact O-N 2.74Å; N1520-N1545 PolarHBondContact ND2-N 3.15Å; N1520-N1545 PolarHBondContact ND2-O 3.31Å; N1520-R1549 PolarHBondContact ND2-NH2 2.81Å; N1520-R1549 PolarHBondContact OD1-NH2 2.79Å; N1520-I1553 HydrophobicContact CB-CD1 3.95Å
1521V86.5Confident82.7Confident4 Ų462.3 Ų62.32%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-132.8130.5-174.3174.10000112D1517 V1540 T1541 F1542 I1553 L1555 I1634D1517-V1521 PolarHBondContact O-N 3.23Å; D1517-V1521 VanDerWaalsContact O-N 3.09Å; V1521-V1540 HydrophobicContact CG1-CG1 4.39Å; V1521-T1541 WeakPolarHBondContact CA-O 3.14Å; V1521-F1542 HydrophobicContact CG2-CB 4.35Å; V1521-F1542 HydrophobicContact CG2-CD2 3.44Å; V1521-F1542 VanDerWaalsContact CG2-CD2 3.44Å; V1521-F1542 HydrophobicContact CG2-CE2 4.17Å; V1521-F1542 HydrophobicContact CG2-CG 4.3Å; V1521-I1553 HydrophobicContact CB-CD1 4.42Å; V1521-I1553 HydrophobicContact CB-CG2 4.45Å; V1521-I1553 HydrophobicContact CG2-CB 4.47Å; V1521-I1553 HydrophobicContact CG2-CD1 3.47Å; V1521-I1553 VanDerWaalsContact CG2-CD1 3.47Å; V1521-I1553 HydrophobicContact CG2-CG2 4.18Å; V1521-L1555 HydrophobicContact CG1-CD1 3.82Å; V1521-L1555 HydrophobicContact CG1-CD2 3.98Å; V1521-L1555 HydrophobicContact CG1-CG 4.24Å; V1521-I1634 HydrophobicContact CB-CD1 4.49Å; V1521-I1634 HydrophobicContact CG1-CD1 3.7Å; V1521-I1634 HydrophobicContact CG2-CD1 3.88Å
1522T83.8Confident82.1Confident78 Ų7861.3 Ų61.348%0.47932%0.319SS..EExtended strand (participates in β ladder)trans-127.1136.4172.255.80000110.4T1541T1522-T1541 PolarHBondContact N-O 3.49Å; T1522-T1541 PolarHBondContact O-N 2.86Å
1523I87.5Confident81.7Confident15 Ų1562.8 Ų62.88%0.07734%0.337CS..EExtended strand (participates in β ladder)trans-121.3136.1176.5-168167.7000110.1I1485 W1510 E1538 L1539 V1540I1485-I1523 HydrophobicContact CD1-CD1 4.47Å; W1510-I1523 HydrophobicContact CB-CG2 3.51Å; W1510-I1523 HydrophobicContact CD2-CD1 3.77Å; W1510-I1523 HydrophobicContact CD2-CG2 4.46Å; W1510-I1523 HydrophobicContact CE3-CD1 4.3Å; W1510-I1523 HydrophobicContact CG-CD1 4Å; W1510-I1523 HydrophobicContact CG-CG2 3.79Å; W1510-I1523 HydrophobicContact CH2-CD1 4.48Å; W1510-I1523 HydrophobicContact CZ2-CD1 3.99Å; I1523-E1538 HydrophobicContact CD1-CB 4.23Å; I1523-E1538 HydrophobicContact CG1-CB 4.21Å; I1523-L1539 WeakPolarHBondContact CA-O 3.41Å; I1523-V1540 HydrophobicContact CD1-CG2 3.81Å; I1523-V1540 HydrophobicContact CG1-CG2 3.97Å
1524S82.7Confident81.7Confident76 Ų7664.2 Ų64.253%0.53134%0.344SS..EExtended strand (participates in β ladder)trans-131.2130.1179.8-171.60000111.1E1538 L1539S1524-E1538 CarbonylContact O-C 3.5Å; S1524-E1538 WeakPolarHBondContact O-CA 3.49Å; S1524-L1539 PolarHBondContact N-O 2.75Å; S1524-L1539 PolarHBondContact O-N 3.47Å
1525P87.3Confident81.8Confident49 Ų4964 Ų6432%0.31835%0.345SS..SBendcis-72.4140.8-5.730.5-34.9000111.9F1508F1508-P1525 HydrophobicContact CE2-CG 4.35Å; F1508-P1525 HydrophobicContact CZ-CG 4.05Å
1526R83.8Confident82.2Confident113 Ų11360.4 Ų60.443%0.42632%0.32SS..SBendtrans-75.3-27.6177.6-170.3174.8-179.4133.3-0.9113.2W1510W1510-R1526 HydrophobicContact CB-CG 4.22Å; W1510-R1526 PolarHBondContact N-O 2.82Å; W1510-R1526 PolarHBondContact O-NE 3.39Å; W1510-R1526 PolarHBondContact O-NH2 2.83Å
1527I89.4Confident82.7Confident109 Ų10955.8 Ų55.856%0.55930%0.295SS*.EExtended strand (participates in β ladder)trans-136.1135.2-179.6-57.2173.1000107.3F1508 R1509F1508-I1527 WeakPolarHBondContact O-CA 3.42Å; R1509-I1527 HydrophobicContact CG-CG1 4.19Å
1528G87.7Confident83Confident19 Ų1955.6 Ų55.620%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-165.9-170.9177.200000113.6R1507 F1508R1507-G1528 WeakPolarHBondContact CA-O 3.36Å; F1508-G1528 WeakPolarHBondContact CD1-O 3.46Å; F1508-G1528 VanDerWaalsContact CZ-CA 3.46Å; F1508-G1528 PolarHBondContact N-O 2.9Å; F1508-G1528 PolarHBondContact O-N 2.91Å; F1508-G1528 VanDerWaalsContact O-N 3.11Å
1529R86.5Confident83.5Confident159 Ų15955.8 Ų55.860%0.629%0.293SS*.EExtended strand (participates in β ladder)trans-131.5135.3178.8-70.4176.8161.5168.3-7.5109.8I1505 Y1506 I1536 E1562I1505-R1529 HydrophobicContact CG2-CB 4.5Å; Y1506-R1529 CarbonylContact O-C 3.5Å; Y1506-R1529 WeakPolarHBondContact O-CA 3.25Å; R1529-I1536 WeakPolarHBondContact O-CD1 3.24Å; R1529-E1562 IonicContact CZ-OE1 3.25Å; R1529-E1562 IonicContact NE-OE1 3.86Å; R1529-E1562 PolarHBondContact NE-OE1 2.79Å; R1529-E1562 IonicContact NE-OE2 2.71Å; R1529-E1562 IonicContact NH2-OE1 2.72Å; R1529-E1562 PolarHBondContact NH2-OE1 2.84Å
1530I84.8Confident84.1Confident0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-121.9120.4178.6-166.3170.2000111.2I1463 M1487 N1489 Y1506 Q1534 I1536I1463-I1530 HydrophobicContact CD1-CG2 3.6Å; I1463-I1530 HydrophobicContact CG1-CG2 4.41Å; M1487-I1530 HydrophobicContact CG-CD1 4.05Å; M1487-I1530 VanDerWaalsContact O-CD1 3.32Å; M1487-I1530 WeakPolarHBondContact O-CD1 3.45Å; M1487-I1530 HydrophobicContact SD-CD1 4.4Å; N1489-I1530 HydrophobicContact CB-CD1 3.94Å; N1489-I1530 HydrophobicContact CB-CG1 3.89Å; N1489-I1530 HydrophobicContact CB-CG2 4.49Å; Y1506-I1530 PolarHBondContact N-O 2.85Å; Y1506-I1530 VanDerWaalsContact N-O 3.14Å; Y1506-I1530 PolarHBondContact O-N 2.76Å; I1530-Q1534 HydrophobicContact CG1-CB 4.17Å; I1530-I1536 HydrophobicContact CB-CD1 3.61Å; I1530-I1536 HydrophobicContact CB-CG1 4.46Å; I1530-I1536 HydrophobicContact CD1-CD1 4.09Å; I1530-I1536 HydrophobicContact CD1-CG1 4.14Å; I1530-I1536 HydrophobicContact CG1-CD1 3.75Å; I1530-I1536 HydrophobicContact CG1-CG1 4.06Å
1531K81.9Confident84.4Confident132 Ų13250.9 Ų50.957%0.57427%0.271SS*.  trans-82.5157.2178.6-62.8176.5-175.8172.70111.2N1489 I1505 G1533 Q1534N1489-K1531 WeakPolarHBondContact CB-O 3.19Å; N1489-K1531 PolarHBondContact ND2-O 2.83Å; I1505-K1531 HydrophobicContact CG1-CG 4.44Å; K1531-G1533 PolarHBondContact O-N 2.88Å; K1531-Q1534 HydrophobicContact CB-CB 4.2Å; K1531-Q1534 WeakPolarHBondContact O-CB 3.24Å; K1531-Q1534 PolarHBondContact O-N 3.37Å
1532P76.3Confident84.4Confident41 Ų4150.8 Ų50.827%0.26627%0.271SS..THydrogen-bonded Turntrans-48.9129.4169.1-31.638.4000113N1489 F1491 Q1534N1489-P1532 WeakPolarHBondContact ND2-CA 3.46Å; F1491-P1532 HydrophobicContact CB-CB 3.73Å; F1491-P1532 HydrophobicContact CB-CG 4.4Å; P1532-Q1534 PolarHBondContact O-N 3.23Å
1533G75.2Confident84.2Confident44 Ų4448.2 Ų48.245%0.45426%0.255SS..THydrogen-bonded Turntrans77-5.7-179.600000115.3N1489 F1491 K1531N1489-G1533 VanDerWaalsContact O-CA 3.27Å; N1489-G1533 WeakPolarHBondContact O-CA 3.36Å; N1489-G1533 PolarHBondContact O-N 2.79Å; F1491-G1533 WeakPolarHBondContact O-CA 3.48Å; F1491-G1533 PolarHBondContact O-N 2.86Å; F1491-G1533 VanDerWaalsContact O-N 3.16Å; K1531-G1533 PolarHBondContact O-N 2.88Å
1534Q82.1Confident83.8Confident71 Ų7147.5 Ų47.533%0.33225%0.251SS..  trans-80.6145.3179.3-168.1-179.86.200111.2N1489 I1530 K1531 P1532 I1536N1489-Q1534 PolarHBondContact N-O 2.84Å; I1530-Q1534 HydrophobicContact CG1-CB 4.17Å; K1531-Q1534 HydrophobicContact CB-CB 4.2Å; K1531-Q1534 WeakPolarHBondContact O-CB 3.24Å; K1531-Q1534 PolarHBondContact O-N 3.37Å; P1532-Q1534 PolarHBondContact O-N 3.23Å; Q1534-I1536 HydrophobicContact CG-CG1 4.42Å
1535T82.9Confident83.5Confident29 Ų2945.5 Ų45.518%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-116.1130167.4-63.20000109.1H1486 M1487 T1488 N1837H1486-T1535 HydrophobicContact CB-CG2 3.78Å; M1487-T1535 CarbonylContact O-C 3.53Å; M1487-T1535 VanDerWaalsContact O-CA 3.31Å; M1487-T1535 WeakPolarHBondContact O-CA 3.3Å; T1488-T1535 VanDerWaalsContact CG2-OG1 3.31Å; T1488-T1535 WeakPolarHBondContact CG2-OG1 3.1Å; T1488-T1535 WeakPolarHBondContact OG1-CG2 3.46Å; T1488-T1535 PolarHBondContact OG1-OG1 3.29Å; T1535-N1837 PolarHBondContact O-ND2 2.93Å
1536I84.6Confident82.7Confident24 Ų2445.7 Ų45.712%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-110136.7177.1-61.5177.1000108.8H1486 M1487 F1508 R1529 I1530 Q1534 E1538H1486-I1536 WeakPolarHBondContact CA-O 3.03Å; M1487-I1536 PolarHBondContact N-O 2.96Å; M1487-I1536 PolarHBondContact O-N 3.21Å; F1508-I1536 HydrophobicContact CE1-CD1 3.58Å; F1508-I1536 HydrophobicContact CZ-CD1 4.15Å; F1508-I1536 HydrophobicContact CZ-CG2 4.46Å; R1529-I1536 WeakPolarHBondContact O-CD1 3.24Å; I1530-I1536 HydrophobicContact CB-CD1 3.61Å; I1530-I1536 HydrophobicContact CB-CG1 4.46Å; I1530-I1536 HydrophobicContact CD1-CD1 4.09Å; I1530-I1536 HydrophobicContact CD1-CG1 4.14Å; I1530-I1536 HydrophobicContact CG1-CD1 3.75Å; I1530-I1536 HydrophobicContact CG1-CG1 4.06Å; Q1534-I1536 HydrophobicContact CG-CG1 4.42Å; I1536-E1538 HydrophobicContact CG2-CG 4.34Å
1537Q85.2Confident82.1Confident21 Ų2143.7 Ų43.710%0.09824%0.243CC..EExtended strand (participates in β ladder)trans-87.7132.3170.2-56.1-157.81.100110.3I1484 H1486 L1833 D1834I1484-Q1537 HydrophobicContact CG2-CB 4.31Å; H1486-Q1537 PolarHBondContact NE2-NE2 2.91Å; Q1537-L1833 PolarHBondContact NE2-O 2.79Å; Q1537-D1834 WeakPolarHBondContact CG-OD1 3.2Å; Q1537-D1834 PolarHBondContact NE2-OD1 2.8Å; Q1537-D1834 VanDerWaalsContact NE2-OD1 3.17Å; Q1537-D1834 PolarHBondContact OE1-OD1 2.86Å
1538E87Confident81.4Confident0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-123127.6175-51.8-176.4146.900109.8I1484 I1485 M1487 F1508 W1510 I1523 S1524 I1536I1484-E1538 WeakPolarHBondContact CA-O 3.42Å; I1485-E1538 HydrophobicContact CD1-CB 4.41Å; I1485-E1538 HydrophobicContact CG1-CB 3.93Å; I1485-E1538 PolarHBondContact N-O 2.87Å; I1485-E1538 PolarHBondContact O-N 3.5Å; M1487-E1538 WeakPolarHBondContact CE-OE1 3.08Å; F1508-E1538 VanDerWaalsContact CE2-OE1 3.24Å; F1508-E1538 WeakPolarHBondContact CE2-OE1 3.19Å; W1510-E1538 VanDerWaalsContact CE2-OE2 3.23Å; W1510-E1538 WeakPolarHBondContact CZ2-OE2 3.41Å; W1510-E1538 PolarHBondContact NE1-OE1 2.78Å; W1510-E1538 PolarHBondContact NE1-OE2 2.8Å; I1523-E1538 HydrophobicContact CD1-CB 4.23Å; I1523-E1538 HydrophobicContact CG1-CB 4.21Å; S1524-E1538 CarbonylContact O-C 3.5Å; S1524-E1538 WeakPolarHBondContact O-CA 3.49Å; I1536-E1538 HydrophobicContact CG2-CG 4.34Å
1539L86.1Confident80.8Confident59 Ų5939.5 Ų39.531%0.30922%0.215SC..EExtended strand (participates in β ladder)trans-91.7113.2177.1-17866.1000109.4R1482 I1484 I1523 S1524R1482-L1539 HydrophobicContact CB-CD1 4.17Å; I1484-L1539 HydrophobicContact CG1-CD1 3.9Å; I1523-L1539 WeakPolarHBondContact CA-O 3.41Å; S1524-L1539 PolarHBondContact N-O 2.75Å; S1524-L1539 PolarHBondContact O-N 3.47Å
1540V86.7Confident80.2Confident4 Ų433.2 Ų33.22%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-96.9118.6174-177.90000108.7I1470 R1482 R1483 I1485 V1521 I1523 L1555 L1632 I1634I1470-V1540 HydrophobicContact CD1-CB 4.36Å; I1470-V1540 HydrophobicContact CD1-CG1 4.27Å; I1470-V1540 HydrophobicContact CD1-CG2 4.41Å; R1482-V1540 CarbonylContact C-O 3.59Å; R1482-V1540 WeakPolarHBondContact CA-O 3.15Å; R1483-V1540 PolarHBondContact N-O 3.29Å; R1483-V1540 PolarHBondContact O-N 2.86Å; I1485-V1540 HydrophobicContact CD1-CG2 4Å; I1485-V1540 HydrophobicContact CG1-CG2 4.04Å; V1521-V1540 HydrophobicContact CG1-CG1 4.39Å; I1523-V1540 HydrophobicContact CD1-CG2 3.81Å; I1523-V1540 HydrophobicContact CG1-CG2 3.97Å; V1540-L1555 HydrophobicContact CG1-CD1 4.39Å; V1540-L1632 HydrophobicContact CG2-CD2 3.82Å; V1540-I1634 HydrophobicContact CG1-CD1 3.57Å
1541T84Confident79.8Confident21 Ų2133.4 Ų33.413%0.12919%0.193CC..EExtended strand (participates in β ladder)trans-114.1118.7177.6-55.50000109.2C1480 C1481 R1482 V1521 T1522C1480-T1541 WeakPolarHBondContact SG-CG2 2.99Å; C1481-T1541 CarbonylContact O-C 3.54Å; C1481-T1541 WeakPolarHBondContact O-CA 3.38Å; R1482-T1541 HydrophobicContact CG-CG2 4.01Å; V1521-T1541 WeakPolarHBondContact CA-O 3.14Å; T1522-T1541 PolarHBondContact N-O 3.49Å; T1522-T1541 PolarHBondContact O-N 2.86Å
1542F85.9Confident79.6Confident3 Ų330.2 Ų30.21%0.01318%0.18CC..EExtended strand (participates in β ladder)trans-105.4129.2174.7178.3-83.2000109.5L1472 I1475 C1480 C1481 N1520 V1521 A1544 T1551 I1553 I1634 A1636 I1638L1472-F1542 HydrophobicContact CD1-CB 3.58Å; L1472-F1542 HydrophobicContact CD1-CD1 3.76Å; L1472-F1542 HydrophobicContact CD1-CD2 4.11Å; L1472-F1542 HydrophobicContact CD1-CG 3.54Å; I1475-F1542 HydrophobicContact CD1-CD1 3.75Å; I1475-F1542 HydrophobicContact CD1-CE1 3.63Å; C1480-F1542 CarbonylContact C-O 3.58Å; C1480-F1542 WeakPolarHBondContact CA-O 3.28Å; C1481-F1542 HydrophobicContact CB-CB 4.44Å; C1481-F1542 PolarHBondContact N-O 3.14Å; C1481-F1542 PolarHBondContact O-N 3.25Å; N1520-F1542 HydrophobicContact CB-CE2 4.4Å; N1520-F1542 CarbonylContact O-C 3.54Å; N1520-F1542 WeakPolarHBondContact O-CA 3.35Å; V1521-F1542 HydrophobicContact CG2-CB 4.35Å; V1521-F1542 HydrophobicContact CG2-CD2 3.44Å; V1521-F1542 VanDerWaalsContact CG2-CD2 3.44Å; V1521-F1542 HydrophobicContact CG2-CE2 4.17Å; V1521-F1542 HydrophobicContact CG2-CG 4.3Å; F1542-A1544 HydrophobicContact CE1-CB 4.11Å; F1542-T1551 HydrophobicContact CE2-CG2 3.78Å; F1542-T1551 HydrophobicContact CZ-CG2 3.73Å; F1542-I1553 HydrophobicContact CD2-CD1 4.26Å; F1542-I1553 HydrophobicContact CE2-CD1 3.78Å; F1542-I1634 HydrophobicContact CD2-CG2 3.92Å; F1542-A1636 HydrophobicContact CE1-CB 4.02Å; F1542-A1636 HydrophobicContact CE2-CB 4.19Å; F1542-A1636 HydrophobicContact CZ-CB 3.7Å; F1542-I1638 HydrophobicContact CZ-CD1 4.1Å; F1542-I1638 HydrophobicContact CZ-CG1 4.3Å
1543T81Confident80Confident23 Ų2328.2 Ų28.214%0.14117%0.168CC..EExtended strand (participates in β ladder)trans-120.1122.3179.5-50.90000109.4N1520 N1545N1520-T1543 PolarHBondContact ND2-O 3.19Å; N1520-T1543 PolarHBondContact O-N 2.74Å; T1543-N1545 VanDerWaalsContact C-N 3.29Å; T1543-N1545 WeakPolarHBondContact CG2-OD1 3.31Å; T1543-N1545 PolarHBondContact O-N 3.24Å
1544A79.4Confident80.5Confident0 Ų026.4 Ų26.40%015%0.147CC..  trans-79.174.5-176.400000111.8I1475 I1476 I1477 G1478 T1479 F1542 I1638I1475-A1544 HydrophobicContact CG2-CB 3.68Å; I1476-A1544 WeakPolarHBondContact O-CB 3.32Å; I1477-A1544 WeakPolarHBondContact CA-O 3.49Å; G1478-A1544 PolarHBondContact N-O 2.91Å; T1479-A1544 PolarHBondContact O-N 3.19Å; F1542-A1544 HydrophobicContact CE1-CB 4.11Å; A1544-I1638 HydrophobicContact CB-CG1 4.36Å; A1544-I1638 HydrophobicContact CB-CG2 4.34Å
1545N74.9Confident80.8Confident34 Ų3423.3 Ų23.318%0.18213%0.133CC..  trans-93.2146.7177.1-63.7-29.5000111.9E1519 N1520 T1543 Q1662E1519-N1545 PolarHBondContact O-ND2 3.27Å; N1520-N1545 PolarHBondContact ND2-N 3.15Å; N1520-N1545 PolarHBondContact ND2-O 3.31Å; T1543-N1545 VanDerWaalsContact C-N 3.29Å; T1543-N1545 WeakPolarHBondContact CG2-OD1 3.31Å; T1543-N1545 PolarHBondContact O-N 3.24Å; N1545-Q1662 PolarHBondContact OD1-NE2 2.66Å; N1545-Q1662 PolarHBondContact OD1-OE1 3.06Å
1546G70.8Confident81Confident54 Ų5422.8 Ų22.856%0.55713%0.129SC*.SBendtrans102.1-145.7168.400000114.9
1547L72.3Confident81.1Confident70 Ų7021.7 Ų21.737%0.36612%0.123SC..SBendtrans-93.7158.6-178.2-66.7169.4000111.1D1273 L1276 R1549D1273-L1547 HydrophobicContact CB-CD2 4.13Å; D1273-L1547 VanDerWaalsContact OD2-CD2 3.25Å; D1273-L1547 WeakPolarHBondContact OD2-CD2 3.25Å; L1276-L1547 HydrophobicContact CD1-CD1 3.78Å; L1547-R1549 PolarHBondContact O-N 3.41Å
1548P73.1Confident81.2Confident6 Ų621.8 Ų21.84%0.03912%0.124CC..SBendtrans-55.4123.2172.5-24.634.5000111.8Y1278 I1477 I1638 N1640Y1278-P1548 HydrophobicContact CD1-CB 4.48Å; Y1278-P1548 HydrophobicContact CE1-CB 4.09Å; I1477-P1548 HydrophobicContact CD1-CG 3.92Å; P1548-I1638 CarbonylContact C-O 3.54Å; P1548-I1638 WeakPolarHBondContact CA-O 3.28Å; P1548-N1640 HydrophobicContact CG-CB 4.2Å
1549R75.1Confident81.1Confident34 Ų3421.9 Ų21.913%0.12812%0.124CC..EExtended strand (participates in β ladder)trans-159.1156.7-175.466.7179177176.3-2111.4L1279 N1520 L1547 I1638L1279-R1549 HydrophobicContact CB-CB 4.01Å; N1520-R1549 PolarHBondContact ND2-NH2 2.81Å; N1520-R1549 PolarHBondContact OD1-NH2 2.79Å; L1547-R1549 PolarHBondContact O-N 3.41Å; R1549-I1638 HydrophobicContact CG-CB 4.45Å; R1549-I1638 HydrophobicContact CG-CD1 4.13Å; R1549-I1638 PolarHBondContact N-O 3.26Å; R1549-I1638 VanDerWaalsContact N-O 3.15Å; R1549-I1638 PolarHBondContact O-N 2.9Å
1550F75.4Confident80.8Confident27 Ų2719.8 Ų19.812%0.11811%0.113CC..EExtended strand (participates in β ladder)trans-85.7125.1161.1-67.7-82.8000108.2N1265 Y1278 F1280 I1403 E1637N1265-F1550 HydrophobicContact CB-CD1 4.44Å; N1265-F1550 HydrophobicContact CB-CD2 4.2Å; N1265-F1550 HydrophobicContact CB-CE1 4.09Å; N1265-F1550 HydrophobicContact CB-CE2 3.85Å; N1265-F1550 HydrophobicContact CB-CG 4.48Å; N1265-F1550 HydrophobicContact CB-CZ 3.79Å; N1265-F1550 VanDerWaalsContact ND2-CD1 3.28Å; N1265-F1550 WeakPolarHBondContact ND2-CD1 3.49Å; Y1278-F1550 HydrophobicContact CD1-CD2 4.33Å; Y1278-F1550 HydrophobicContact CD1-CE2 4.08Å; Y1278-F1550 HydrophobicContact CE1-CE2 4.34Å; F1280-F1550 HydrophobicContact CD1-CD2 4.13Å; F1280-F1550 AromaticContact CE1-CD2 3.43Å; F1280-F1550 HydrophobicContact CE1-CD2 3.43Å; F1280-F1550 VanDerWaalsContact CE1-CD2 3.43Å; F1280-F1550 AromaticContact CE1-CE2 3.79Å; F1280-F1550 HydrophobicContact CE1-CE2 3.79Å; F1280-F1550 HydrophobicContact CE1-CG 4.4Å; F1280-F1550 AromaticContact CZ-CD2 3.79Å; F1280-F1550 HydrophobicContact CZ-CD2 3.79Å; F1280-F1550 AromaticContact CZ-CE2 3.85Å; F1280-F1550 HydrophobicContact CZ-CE2 3.85Å; I1403-F1550 HydrophobicContact CD1-CE1 4.15Å; I1403-F1550 HydrophobicContact CG1-CE1 4.25Å; I1403-F1550 HydrophobicContact CG2-CE1 4.44Å; F1550-E1637 HydrophobicContact CD1-CB 3.94Å; F1550-E1637 HydrophobicContact CD1-CG 3.82Å; F1550-E1637 HydrophobicContact CE1-CB 3.82Å; F1550-E1637 VanDerWaalsContact CE1-CD 3.42Å; F1550-E1637 HydrophobicContact CE1-CG 3.4Å; F1550-E1637 VanDerWaalsContact CE1-CG 3.4Å; F1550-E1637 HydrophobicContact CZ-CG 3.88Å
1551T74.9Confident80.5Confident5 Ų520.5 Ų20.53%0.03112%0.117CC..EExtended strand (participates in β ladder)trans-121.5132.2-179.8-157.30000110.4F1542 I1553 A1636 I1638F1542-T1551 HydrophobicContact CE2-CG2 3.78Å; F1542-T1551 HydrophobicContact CZ-CG2 3.73Å; T1551-I1553 HydrophobicContact CG2-CD1 4.49Å; T1551-A1636 HydrophobicContact CG2-CB 3.88Å; T1551-A1636 PolarHBondContact N-O 2.81Å; T1551-A1636 PolarHBondContact O-N 3.26Å; T1551-I1638 HydrophobicContact CG2-CD1 4.32Å
1552E78.8Confident80.2Confident64 Ų6420.8 Ų20.830%0.29912%0.117SC..EExtended strand (participates in β ladder)trans-125.9102172.2173.6171.3-179.800107.2R1079 T1633 I1634 N1635R1079-E1552 IonicContact NH1-OE1 3.37Å; R1079-E1552 PolarHBondContact NH1-OE1 3.43Å; R1079-E1552 IonicContact NH1-OE2 3.77Å; R1079-E1552 PolarHBondContact NH1-OE2 2.83Å; R1079-E1552 VanDerWaalsContact NH1-OE2 3.08Å; E1552-T1633 HydrophobicContact CG-CG2 3.75Å; E1552-I1634 WeakPolarHBondContact CA-O 3.24Å; E1552-N1635 WeakPolarHBondContact CG-OD1 3.2Å
1553I84.3Confident79.6Confident0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-100.6120.7-176.2-61.1174.8000108.4T1512 D1517 N1520 V1521 F1542 T1551 T1633 I1634T1512-I1553 HydrophobicContact CG2-CG2 4.17Å; D1517-I1553 HydrophobicContact CB-CD1 4.19Å; D1517-I1553 HydrophobicContact CB-CG1 4.1Å; D1517-I1553 HydrophobicContact CB-CG2 3.82Å; N1520-I1553 HydrophobicContact CB-CD1 3.95Å; V1521-I1553 HydrophobicContact CB-CD1 4.42Å; V1521-I1553 HydrophobicContact CB-CG2 4.45Å; V1521-I1553 HydrophobicContact CG2-CB 4.47Å; V1521-I1553 HydrophobicContact CG2-CD1 3.47Å; V1521-I1553 VanDerWaalsContact CG2-CD1 3.47Å; V1521-I1553 HydrophobicContact CG2-CG2 4.18Å; F1542-I1553 HydrophobicContact CD2-CD1 4.26Å; F1542-I1553 HydrophobicContact CE2-CD1 3.78Å; T1551-I1553 HydrophobicContact CG2-CD1 4.49Å; I1553-T1633 CarbonylContact O-C 3.52Å; I1553-T1633 WeakPolarHBondContact O-CA 3.35Å; I1553-I1634 HydrophobicContact CB-CB 4.46Å; I1553-I1634 PolarHBondContact N-O 2.68Å; I1553-I1634 PolarHBondContact O-N 3.15Å
1554K84.9Confident79.3Confident6 Ų628.1 Ų28.13%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-98.3110.3176-174.5173.7171.7-177.40109N1071 E1076 E1513 I1556 Y1631N1071-K1554 PolarHBondContact O-NZ 3.25Å; N1071-K1554 VanDerWaalsContact O-NZ 3.09Å; E1076-K1554 IonicContact OE2-NZ 3.7Å; E1076-K1554 PolarHBondContact OE2-NZ 3.32Å; E1513-K1554 HydrophobicContact CB-CB 4.15Å; E1513-K1554 PolarHBondContact N-O 3.47Å; E1513-K1554 IonicContact OE1-NZ 2.85Å; K1554-I1556 HydrophobicContact CG-CG1 4.34Å; K1554-Y1631 HydrophobicContact CD-CD1 4.26Å; K1554-Y1631 VanDerWaalsContact CE-CE1 3.43Å; K1554-Y1631 HydrophobicContact CG-CD1 4.15Å
1555L88.7Confident79.1Confident5 Ų529.9 Ų29.93%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-87.4130.1169.2-69.7171.1000109.1W1510 T1512 V1521 V1540 Y1631 L1632 I1634W1510-L1555 HydrophobicContact CE3-CB 3.78Å; W1510-L1555 HydrophobicContact CZ3-CB 3.63Å; T1512-L1555 HydrophobicContact CG2-CD2 3.6Å; V1521-L1555 HydrophobicContact CG1-CD1 3.82Å; V1521-L1555 HydrophobicContact CG1-CD2 3.98Å; V1521-L1555 HydrophobicContact CG1-CG 4.24Å; V1540-L1555 HydrophobicContact CG1-CD1 4.39Å; L1555-Y1631 WeakPolarHBondContact O-CA 3.42Å; L1555-L1632 HydrophobicContact CB-CB 4.2Å; L1555-L1632 HydrophobicContact CD1-CD2 3.93Å; L1555-L1632 PolarHBondContact N-O 3.47Å; L1555-L1632 PolarHBondContact O-N 2.94Å; L1555-I1634 HydrophobicContact CD1-CD1 3.68Å; L1555-I1634 HydrophobicContact CG-CD1 4.38Å
1556I87.6Confident79.1Confident19 Ų1932.6 Ų32.610%0.09717%0.172CC..EExtended strand (participates in β ladder)trans-114.7119.9-177.5-52.4176.8000107.4W1510 F1511 E1513 K1554 Y1629 Y1631W1510-I1556 WeakPolarHBondContact CA-O 3.5Å; F1511-I1556 HydrophobicContact CD2-CB 4.06Å; F1511-I1556 HydrophobicContact CD2-CD1 4.39Å; F1511-I1556 HydrophobicContact CE1-CB 4.38Å; F1511-I1556 HydrophobicContact CE1-CG2 4.18Å; F1511-I1556 HydrophobicContact CE2-CB 3.67Å; F1511-I1556 HydrophobicContact CE2-CD1 3.81Å; F1511-I1556 HydrophobicContact CE2-CG1 4.26Å; F1511-I1556 HydrophobicContact CE2-CG2 3.82Å; F1511-I1556 HydrophobicContact CZ-CB 3.84Å; F1511-I1556 HydrophobicContact CZ-CG2 3.54Å; F1511-I1556 PolarHBondContact N-O 3.06Å; F1511-I1556 PolarHBondContact O-N 2.89Å; E1513-I1556 HydrophobicContact CB-CD1 4.27Å; K1554-I1556 HydrophobicContact CG-CG1 4.34Å; I1556-Y1629 HydrophobicContact CG2-CD1 3.6Å; I1556-Y1629 HydrophobicContact CG2-CE1 4.32Å; I1556-Y1629 HydrophobicContact CG2-CG 4.26Å; I1556-Y1631 HydrophobicContact CB-CD1 4.49Å; I1556-Y1631 HydrophobicContact CB-CE1 4.38Å; I1556-Y1631 HydrophobicContact CD1-CE1 4.27Å; I1556-Y1631 HydrophobicContact CG1-CD1 3.96Å; I1556-Y1631 HydrophobicContact CG1-CE1 3.87Å; I1556-Y1631 HydrophobicContact CG2-CD1 4.38Å; I1556-Y1631 HydrophobicContact CG2-CE1 3.91Å
1557C87.6Confident79.3Confident0 Ų035.7 Ų35.70%017%0.17CC..EExtended strand (participates in β ladder)trans-98.5110.6171.8-179.20000108.8M1487 R1509 W1510 Y1629 V1630M1487-C1557 HydrophobicContact CE-CB 4.48Å; R1509-C1557 WeakPolarHBondContact O-CA 3.29Å; W1510-C1557 HydrophobicContact CD2-CB 3.65Å; W1510-C1557 HydrophobicContact CE3-CB 3.64Å; W1510-C1557 HydrophobicContact CG-CB 4.49Å; W1510-C1557 HydrophobicContact CH2-CB 3.64Å; W1510-C1557 HydrophobicContact CZ2-CB 3.61Å; W1510-C1557 HydrophobicContact CZ3-CB 3.63Å; C1557-Y1629 WeakPolarHBondContact O-CA 3.47Å; C1557-V1630 HydrophobicContact CB-CB 4.2Å; C1557-V1630 WeakPolarHBondContact CB-O 3.43Å; C1557-V1630 PolarHBondContact N-O 3.35Å; C1557-V1630 PolarHBondContact O-N 3.48Å
1558E86.4Confident79.6Confident24 Ų2434.2 Ų34.211%0.11216%0.16CC..EExtended strand (participates in β ladder)trans-83.5124.3171.6176.3-169.3-119.400109.5F1508 R1509 F1511 I1560 P1627 Y1629F1508-E1558 CarbonylContact C-O 3.6Å; F1508-E1558 VanDerWaalsContact CA-O 3.27Å; F1508-E1558 WeakPolarHBondContact CA-O 3.01Å; R1509-E1558 IonicContact CZ-OE2 3.37Å; R1509-E1558 PolarHBondContact N-O 3.02Å; R1509-E1558 IonicContact NE-OE2 3.54Å; R1509-E1558 PolarHBondContact NE-OE2 2.81Å; R1509-E1558 IonicContact NH2-OE1 2.62Å; R1509-E1558 PolarHBondContact NH2-OE1 2.9Å; R1509-E1558 IonicContact NH2-OE2 3.34Å; R1509-E1558 PolarHBondContact NH2-OE2 2.98Å; R1509-E1558 PolarHBondContact O-N 2.98Å; F1511-E1558 HydrophobicContact CE1-CB 3.78Å; E1558-I1560 HydrophobicContact CG-CD1 4.44Å; E1558-I1560 HydrophobicContact CG-CG1 4.3Å; E1558-P1627 HydrophobicContact CG-CB 3.48Å; E1558-P1627 VanDerWaalsContact CG-CB 3.48Å; E1558-P1627 HydrophobicContact CG-CG 4Å; E1558-Y1629 HydrophobicContact CB-CD1 4.22Å; E1558-Y1629 HydrophobicContact CB-CE1 4.04Å; E1558-Y1629 HydrophobicContact CG-CE1 4.13Å
1559L84.6Confident79.8Confident1 Ų136.5 Ų36.51%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-111123.6179.2-60.2171.9000109.2I1463 Y1506 F1508 P1627 V1628 V1630I1463-L1559 HydrophobicContact CB-CD1 3.75Å; I1463-L1559 HydrophobicContact CD1-CD1 3.66Å; I1463-L1559 HydrophobicContact CD1-CD2 3.56Å; I1463-L1559 HydrophobicContact CD1-CG 4.13Å; I1463-L1559 HydrophobicContact CG1-CD1 4.19Å; I1463-L1559 HydrophobicContact CG2-CD1 4.05Å; Y1506-L1559 HydrophobicContact CD1-CB 4.19Å; F1508-L1559 HydrophobicContact CB-CD2 3.6Å; L1559-P1627 WeakPolarHBondContact O-CA 3.47Å; L1559-V1628 HydrophobicContact CB-CB 4.39Å; L1559-V1628 WeakPolarHBondContact CB-O 3.32Å; L1559-V1628 PolarHBondContact N-O 3.39Å; L1559-V1628 PolarHBondContact O-N 3.21Å; L1559-V1630 HydrophobicContact CD1-CG2 3.45Å; L1559-V1630 VanDerWaalsContact CD1-CG2 3.45Å; L1559-V1630 HydrophobicContact CG-CG2 4.39Å
1560I81.4Confident79.9Confident16 Ų1641.6 Ų41.68%0.08220%0.201CC..EExtended strand (participates in β ladder)trans-116.9122176.2-61.2167.6000107.4Y1506 R1507 E1558 E1562 E1565 P1627Y1506-I1560 WeakPolarHBondContact CA-O 3.33Å; R1507-I1560 PolarHBondContact N-O 2.9Å; R1507-I1560 VanDerWaalsContact NH2-CD1 3.33Å; R1507-I1560 PolarHBondContact O-N 2.85Å; E1558-I1560 HydrophobicContact CG-CD1 4.44Å; E1558-I1560 HydrophobicContact CG-CG1 4.3Å; I1560-E1562 PolarHBondContact O-N 2.91Å; I1560-E1565 HydrophobicContact CG2-CB 3.92Å; I1560-E1565 HydrophobicContact CG2-CG 4.22Å; I1560-E1565 WeakPolarHBondContact CG2-OE2 3.38Å; I1560-P1627 HydrophobicContact CG1-CB 4.1Å
1561D79.7Confident80.1Confident19 Ų1944.5 Ų44.510%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-69.9114.3172.4-174.4-28.5000108.8S1504 Y1506 H1563 E1564 E1565S1504-D1561 VanDerWaalsContact CB-OD1 3.24Å; S1504-D1561 WeakPolarHBondContact CB-OD1 3.26Å; S1504-D1561 WeakPolarHBondContact CB-OD2 3.2Å; S1504-D1561 VanDerWaalsContact OG-CG 3.26Å; S1504-D1561 PolarHBondContact OG-OD1 2.89Å; S1504-D1561 PolarHBondContact OG-OD2 3.36Å; Y1506-D1561 HydrophobicContact CD1-CB 4.17Å; Y1506-D1561 HydrophobicContact CE1-CB 3.8Å; D1561-H1563 PolarHBondContact O-N 2.87Å; D1561-H1563 WeakPolarHBondContact OD1-CA 3.5Å; D1561-H1563 VanDerWaalsContact OD1-CB 3.28Å; D1561-H1563 WeakPolarHBondContact OD1-CB 3.33Å; D1561-H1563 PolarHBondContact OD1-N 2.76Å; D1561-E1564 HydrophobicContact CB-CB 4.14Å; D1561-E1564 HydrophobicContact CB-CG 4.22Å; D1561-E1564 PolarHBondContact O-N 3.04Å; D1561-E1564 PolarHBondContact OD1-N 3.22Å; D1561-E1565 VanDerWaalsContact O-CB 3.31Å; D1561-E1565 WeakPolarHBondContact O-CB 3.34Å; D1561-E1565 PolarHBondContact O-N 3.26Å
1562E76.7Confident80.3Confident26 Ų2646.6 Ų46.612%0.12123%0.225CC..Hα-helixtrans-65.3-28.5-179.9-73.4-164.8151.500112.1I1505 R1507 R1529 I1560 N1566I1505-E1562 WeakPolarHBondContact O-CB 3.48Å; I1505-E1562 PolarHBondContact O-N 3.42Å; R1507-E1562 HydrophobicContact CB-CG 4.24Å; R1529-E1562 IonicContact CZ-OE1 3.25Å; R1529-E1562 IonicContact NE-OE1 3.86Å; R1529-E1562 PolarHBondContact NE-OE1 2.79Å; R1529-E1562 IonicContact NE-OE2 2.71Å; R1529-E1562 IonicContact NH2-OE1 2.72Å; R1529-E1562 PolarHBondContact NH2-OE1 2.84Å; I1560-E1562 PolarHBondContact O-N 2.91Å; E1562-N1566 WeakPolarHBondContact O-CB 3.19Å; E1562-N1566 PolarHBondContact O-N 3.24Å; E1562-N1566 PolarHBondContact O-ND2 3Å
1563H74.8Confident80.2Confident85 Ų8550.9 Ų50.939%0.39424%0.243SC..Hα-helixtrans-69.2-45.8178-173.538.3000110.9D1561 K1567D1561-H1563 PolarHBondContact O-N 2.87Å; D1561-H1563 WeakPolarHBondContact OD1-CA 3.5Å; D1561-H1563 VanDerWaalsContact OD1-CB 3.28Å; D1561-H1563 WeakPolarHBondContact OD1-CB 3.33Å; D1561-H1563 PolarHBondContact OD1-N 2.76Å; H1563-K1567 WeakPolarHBondContact O-CB 3.23Å; H1563-K1567 PolarHBondContact O-N 3.03Å
1564E73.6Confident79.8Confident95 Ų9553.2 Ų53.244%0.44426%0.262SS..Hα-helixtrans-68.4-37.6175.6-66.6-160.4146.400112.3D1561 K1567 Y1568 T1625D1561-E1564 HydrophobicContact CB-CB 4.14Å; D1561-E1564 HydrophobicContact CB-CG 4.22Å; D1561-E1564 PolarHBondContact O-N 3.04Å; D1561-E1564 PolarHBondContact OD1-N 3.22Å; E1564-K1567 PolarHBondContact O-N 3.23Å; E1564-Y1568 VanDerWaalsContact O-CB 3.31Å; E1564-Y1568 WeakPolarHBondContact O-CB 3.34Å; E1564-Y1568 PolarHBondContact O-N 3.05Å; E1564-T1625 HydrophobicContact CB-CG2 3.97Å; E1564-T1625 WeakPolarHBondContact OE2-CB 3.3Å; E1564-T1625 VanDerWaalsContact OE2-CG2 3.32Å; E1564-T1625 WeakPolarHBondContact OE2-CG2 3Å
1565E75.5Confident79.5Confident38 Ų3853.6 Ų53.618%0.17826%0.263CS..Hα-helixtrans-65.7-41.9176.2-175.2173.4-144.900111.6R1507 I1560 D1561 Y1568 C1569R1507-E1565 IonicContact CZ-OE2 2.7Å; R1507-E1565 IonicContact NE-OE2 3.54Å; R1507-E1565 VanDerWaalsContact NH2-CD 3.33Å; R1507-E1565 IonicContact NH2-OE1 3.6Å; R1507-E1565 PolarHBondContact NH2-OE1 2.95Å; R1507-E1565 IonicContact NH2-OE2 2.87Å; R1507-E1565 PolarHBondContact NH2-OE2 3.32Å; I1560-E1565 HydrophobicContact CG2-CB 3.92Å; I1560-E1565 HydrophobicContact CG2-CG 4.22Å; I1560-E1565 WeakPolarHBondContact CG2-OE2 3.38Å; D1561-E1565 VanDerWaalsContact O-CB 3.31Å; D1561-E1565 WeakPolarHBondContact O-CB 3.34Å; D1561-E1565 PolarHBondContact O-N 3.26Å; E1565-Y1568 WeakPolarHBondContact O-CB 3.47Å; E1565-Y1568 PolarHBondContact O-N 2.92Å; E1565-C1569 WeakPolarHBondContact O-CB 3.24Å; E1565-C1569 PolarHBondContact O-N 2.92Å; E1565-C1569 PolarHBondContact O-SG 3.09Å
1566N75.8Confident78.9Confident91 Ų9157.4 Ų57.449%0.48728%0.281SS..Hα-helixtrans-65.5-44.1175.2-75.9-37.5000111.3E1562 Y1568 C1569 E1570E1562-N1566 WeakPolarHBondContact O-CB 3.19Å; E1562-N1566 PolarHBondContact O-N 3.24Å; E1562-N1566 PolarHBondContact O-ND2 3Å; N1566-Y1568 VanDerWaalsContact C-N 3.31Å; N1566-Y1568 PolarHBondContact O-N 3.2Å; N1566-C1569 PolarHBondContact O-N 3.09Å; N1566-E1570 WeakPolarHBondContact O-CG 3.15Å; N1566-E1570 PolarHBondContact O-N 3.41Å
1567K75.4Confident78.4Confident119 Ų11959.9 Ų59.952%0.51730%0.3SS..Hα-helixtrans-58.6-45.2174.5-176-176.8173.6-169.20111H1563 E1564 E1570 E1571H1563-K1567 WeakPolarHBondContact O-CB 3.23Å; H1563-K1567 PolarHBondContact O-N 3.03Å; E1564-K1567 PolarHBondContact O-N 3.23Å; K1567-E1570 PolarHBondContact O-N 3.49Å; K1567-E1571 WeakPolarHBondContact CE-OE1 3.3Å; K1567-E1571 WeakPolarHBondContact O-CB 3.48Å; K1567-E1571 WeakPolarHBondContact O-CG 3.45Å; K1567-E1571 PolarHBondContact O-N 3.47Å
1568Y78.1Confident77.8Confident38 Ų3861 Ų6115%0.14931%0.305CS..Hα-helixtrans-60.2-45174.2170.1-99.7000112.1E1564 E1565 N1566 E1570 E1571 L1572 P1622 I1623 H1624E1564-Y1568 VanDerWaalsContact O-CB 3.31Å; E1564-Y1568 WeakPolarHBondContact O-CB 3.34Å; E1564-Y1568 PolarHBondContact O-N 3.05Å; E1565-Y1568 WeakPolarHBondContact O-CB 3.47Å; E1565-Y1568 PolarHBondContact O-N 2.92Å; N1566-Y1568 VanDerWaalsContact C-N 3.31Å; N1566-Y1568 PolarHBondContact O-N 3.2Å; Y1568-E1570 VanDerWaalsContact C-N 3.33Å; Y1568-E1570 PolarHBondContact O-N 3.09Å; Y1568-E1571 PolarHBondContact O-N 2.71Å; Y1568-L1572 HydrophobicContact CE1-CD2 4.41Å; Y1568-L1572 WeakPolarHBondContact O-CB 2.97Å; Y1568-L1572 PolarHBondContact O-N 2.92Å; Y1568-P1622 HydrophobicContact CD2-CB 3.97Å; Y1568-P1622 HydrophobicContact CE2-CB 3.95Å; Y1568-P1622 HydrophobicContact CE2-CG 4.39Å; Y1568-P1622 WeakPolarHBondContact CE2-O 3.29Å; Y1568-I1623 WeakPolarHBondContact CD2-O 3.35Å; Y1568-H1624 AromaticContact CD1-CD2 3.63Å; Y1568-H1624 HydrophobicContact CD2-CB 4.42Å; Y1568-H1624 HydrophobicContact CE1-CB 4.17Å; Y1568-H1624 AromaticContact CE1-CD2 3.37Å; Y1568-H1624 WeakPolarHBondContact CE1-CD2 3.33Å; Y1568-H1624 VanDerWaalsContact CE2-CA 3.47Å; Y1568-H1624 HydrophobicContact CE2-CB 3.99Å; Y1568-H1624 AromaticContact CZ-CD2 3.94Å
1569C76.2Confident77.2Confident54 Ų5460.2 Ų60.237%0.36530%0.302SS..Hα-helixtrans-65.8-35.2178.7-71.30000112.4E1565 N1566 K1573E1565-C1569 WeakPolarHBondContact O-CB 3.24Å; E1565-C1569 PolarHBondContact O-N 2.92Å; E1565-C1569 PolarHBondContact O-SG 3.09Å; N1566-C1569 PolarHBondContact O-N 3.09Å; C1569-K1573 WeakPolarHBondContact O-CB 3.41Å; C1569-K1573 WeakPolarHBondContact O-CG 3.34Å; C1569-K1573 PolarHBondContact O-N 3.39Å
1570E77.1Confident76.7Confident141 Ų14163.7 Ų63.766%0.65932%0.321SS*.Hα-helixtrans-67.8-46.9173-75.4-177.6175.400111.4N1566 K1567 Y1568 L1572 K1573 A1574N1566-E1570 WeakPolarHBondContact O-CG 3.15Å; N1566-E1570 PolarHBondContact O-N 3.41Å; K1567-E1570 PolarHBondContact O-N 3.49Å; Y1568-E1570 VanDerWaalsContact C-N 3.33Å; Y1568-E1570 PolarHBondContact O-N 3.09Å; E1570-L1572 VanDerWaalsContact C-N 3.33Å; E1570-L1572 PolarHBondContact O-N 2.8Å; E1570-K1573 PolarHBondContact O-N 3.09Å; E1570-A1574 WeakPolarHBondContact O-CB 3.28Å; E1570-A1574 PolarHBondContact O-N 3.03Å
1571E80.7Confident76.4Confident89 Ų8968 Ų6842%0.41634%0.336SS..Hα-helixtrans-61.8-41.1174.9-73.7177-17800111.2K1567 Y1568 A1574 W1575 P1622K1567-E1571 WeakPolarHBondContact CE-OE1 3.3Å; K1567-E1571 WeakPolarHBondContact O-CB 3.48Å; K1567-E1571 WeakPolarHBondContact O-CG 3.45Å; K1567-E1571 PolarHBondContact O-N 3.47Å; Y1568-E1571 PolarHBondContact O-N 2.71Å; E1571-A1574 PolarHBondContact O-N 2.91Å; E1571-W1575 WeakPolarHBondContact O-CB 3.06Å; E1571-W1575 PolarHBondContact O-N 3.04Å; E1571-P1622 HydrophobicContact CB-CB 3.86Å; E1571-P1622 HydrophobicContact CB-CG 4.02Å
1572L78.6Confident75.9Confident48 Ų4870.2 Ų70.225%0.25135%0.347SS..Hα-helixtrans-65.9-44.1177-171.285.6000110.5Y1568 E1570 A1574 W1575 Q1576 P1622Y1568-L1572 HydrophobicContact CE1-CD2 4.41Å; Y1568-L1572 WeakPolarHBondContact O-CB 2.97Å; Y1568-L1572 PolarHBondContact O-N 2.92Å; E1570-L1572 VanDerWaalsContact C-N 3.33Å; E1570-L1572 PolarHBondContact O-N 2.8Å; L1572-A1574 VanDerWaalsContact C-N 3.34Å; L1572-W1575 PolarHBondContact O-N 3.01Å; L1572-Q1576 VanDerWaalsContact O-CB 3.23Å; L1572-Q1576 WeakPolarHBondContact O-CB 3.31Å; L1572-Q1576 PolarHBondContact O-N 3.34Å; L1572-P1622 HydrophobicContact CB-CG 4.06Å; L1572-P1622 HydrophobicContact CD1-CG 4.07Å
1573K76.9Confident75.3Confident155 Ų15575.1 Ų75.167%0.67437%0.368SS*.Hα-helixtrans-62.3-41.3173.8-87-180178.6173.70111.8C1569 E1570 Q1576 S1577C1569-K1573 WeakPolarHBondContact O-CB 3.41Å; C1569-K1573 WeakPolarHBondContact O-CG 3.34Å; C1569-K1573 PolarHBondContact O-N 3.39Å; E1570-K1573 PolarHBondContact O-N 3.09Å; K1573-Q1576 PolarHBondContact O-N 3.21Å; K1573-S1577 WeakPolarHBondContact O-CB 3.28Å; K1573-S1577 PolarHBondContact O-N 3.17Å; K1573-S1577 PolarHBondContact O-OG 2.97Å
1574A76.5Confident74.9Confident48 Ų4876.5 Ų76.540%0.39738%0.382SS..Hα-helixtrans-64.3-45.7176.900000110.9E1570 E1571 L1572 S1577 E1578E1570-A1574 WeakPolarHBondContact O-CB 3.28Å; E1570-A1574 PolarHBondContact O-N 3.03Å; E1571-A1574 PolarHBondContact O-N 2.91Å; L1572-A1574 VanDerWaalsContact C-N 3.34Å; A1574-S1577 PolarHBondContact O-N 2.92Å; A1574-E1578 WeakPolarHBondContact O-CB 3.38Å; A1574-E1578 PolarHBondContact O-N 3.18Å
1575W78.5Confident74Confident15 Ų1577.6 Ų77.66%0.05739%0.387CS..Hα-helixtrans-61.7-45175.4-177.386.5000112.2E1571 L1572 E1578 I1579 M1612 F1615 W1619 K1621 P1622E1571-W1575 WeakPolarHBondContact O-CB 3.06Å; E1571-W1575 PolarHBondContact O-N 3.04Å; L1572-W1575 PolarHBondContact O-N 3.01Å; W1575-E1578 WeakPolarHBondContact O-CB 3.36Å; W1575-E1578 PolarHBondContact O-N 2.83Å; W1575-I1579 HydrophobicContact CD2-CD1 4.09Å; W1575-I1579 HydrophobicContact CE3-CD1 3.83Å; W1575-I1579 HydrophobicContact CH2-CD1 3.28Å; W1575-I1579 HydrophobicContact CZ2-CD1 3.57Å; W1575-I1579 HydrophobicContact CZ3-CD1 3.43Å; W1575-I1579 VanDerWaalsContact CZ3-CD1 3.43Å; W1575-I1579 PolarHBondContact O-N 3.12Å; W1575-M1612 HydrophobicContact CH2-CE 4.32Å; W1575-M1612 HydrophobicContact CZ2-CE 4.47Å; W1575-F1615 AromaticContact CD1-CE1 3.96Å; W1575-F1615 HydrophobicContact CD2-CE1 4.33Å; W1575-F1615 AromaticContact CE2-CE1 3.59Å; W1575-F1615 HydrophobicContact CZ2-CD1 4.38Å; W1575-F1615 AromaticContact CZ2-CE1 3.92Å; W1575-F1615 HydrophobicContact CZ2-CE1 3.92Å; W1575-F1615 AromaticContact NE1-CE1 3.32Å; W1575-F1615 VanDerWaalsContact NE1-CE1 3.32Å; W1575-W1619 PolarHBondContact NE1-O 2.94Å; W1575-K1621 HydrophobicContact CD2-CB 4.42Å; W1575-K1621 HydrophobicContact CD2-CG 4.16Å; W1575-K1621 HydrophobicContact CE3-CG 4.24Å; W1575-K1621 HydrophobicContact CH2-CB 4.3Å; W1575-K1621 HydrophobicContact CH2-CD 3.79Å; W1575-K1621 HydrophobicContact CH2-CG 3.89Å; W1575-K1621 HydrophobicContact CZ2-CB 3.69Å; W1575-K1621 HydrophobicContact CZ2-CD 4.04Å; W1575-K1621 HydrophobicContact CZ2-CG 3.77Å; W1575-K1621 HydrophobicContact CZ3-CD 4.19Å; W1575-K1621 HydrophobicContact CZ3-CG 4.12Å; W1575-P1622 HydrophobicContact CB-CG 4.3Å
1576Q75.4Confident73.2Confident84 Ų8483.8 Ų83.839%0.39341%0.414SS..Hα-helixtrans-65.1-41176.4-154.982.429.600111.5L1572 K1573 E1578 I1579 D1580L1572-Q1576 VanDerWaalsContact O-CB 3.23Å; L1572-Q1576 WeakPolarHBondContact O-CB 3.31Å; L1572-Q1576 PolarHBondContact O-N 3.34Å; K1573-Q1576 PolarHBondContact O-N 3.21Å; Q1576-E1578 VanDerWaalsContact C-N 3.29Å; Q1576-E1578 PolarHBondContact O-N 2.96Å; Q1576-I1579 WeakPolarHBondContact O-CB 3.5Å; Q1576-I1579 PolarHBondContact O-N 2.97Å; Q1576-D1580 WeakPolarHBondContact O-CB 3.44Å; Q1576-D1580 VanDerWaalsContact O-CG 3.32Å; Q1576-D1580 PolarHBondContact O-N 2.91Å
1577S76.8Confident72.2Confident72 Ų7285.4 Ų85.450%0.50343%0.427SS..Hα-helixtrans-65.8-33.5175.2-59.40000111.5K1573 A1574 D1580 R1581K1573-S1577 WeakPolarHBondContact O-CB 3.28Å; K1573-S1577 PolarHBondContact O-N 3.17Å; K1573-S1577 PolarHBondContact O-OG 2.97Å; A1574-S1577 PolarHBondContact O-N 2.92Å; S1577-D1580 PolarHBondContact O-N 3.26Å; S1577-R1581 VanDerWaalsContact O-CB 3.29Å; S1577-R1581 WeakPolarHBondContact O-CB 3.36Å; S1577-R1581 PolarHBondContact O-N 3Å
1578E76.3Confident70.9Confident22 Ų2286.1 Ų86.110%0.10344%0.435CS..Hα-helixtrans-69.2-41.9175.1-165.972.3-175.800111.2A1574 W1575 Q1576 D1580 R1581 L1582 F1615 W1619A1574-E1578 WeakPolarHBondContact O-CB 3.38Å; A1574-E1578 PolarHBondContact O-N 3.18Å; W1575-E1578 WeakPolarHBondContact O-CB 3.36Å; W1575-E1578 PolarHBondContact O-N 2.83Å; Q1576-E1578 VanDerWaalsContact C-N 3.29Å; Q1576-E1578 PolarHBondContact O-N 2.96Å; E1578-D1580 VanDerWaalsContact C-N 3.35Å; E1578-R1581 PolarHBondContact O-N 2.8Å; E1578-R1581 IonicContact OE1-CZ 2.86Å; E1578-R1581 IonicContact OE1-NH1 2.79Å; E1578-R1581 PolarHBondContact OE1-NH1 2.87Å; E1578-R1581 IonicContact OE1-NH2 2.82Å; E1578-R1581 PolarHBondContact OE1-NH2 3.25Å; E1578-R1581 IonicContact OE2-CZ 2.84Å; E1578-R1581 IonicContact OE2-NH1 3.96Å; E1578-R1581 PolarHBondContact OE2-NH1 3.4Å; E1578-R1581 IonicContact OE2-NH2 3.63Å; E1578-L1582 WeakPolarHBondContact O-CB 3.36Å; E1578-L1582 WeakPolarHBondContact O-CG 3.31Å; E1578-L1582 PolarHBondContact O-N 2.79Å; E1578-F1615 HydrophobicContact CB-CE2 4.33Å; E1578-F1615 HydrophobicContact CB-CZ 4.13Å; E1578-F1615 HydrophobicContact CG-CE2 3.84Å; E1578-F1615 HydrophobicContact CG-CZ 4.12Å; E1578-W1619 HydrophobicContact CG-CD2 3.93Å; E1578-W1619 HydrophobicContact CG-CE3 4.35Å; E1578-W1619 HydrophobicContact CG-CG 4.29Å; E1578-W1619 HydrophobicContact CG-CH2 4.42Å; E1578-W1619 HydrophobicContact CG-CZ2 4Å
1579I73.3Confident69.5Low9 Ų989.3 Ų89.35%0.04646%0.459CS..Hα-helixtrans-57.7-49.6169.8-72.1-179.5000110.3W1575 Q1576 R1581 L1582 K1583 M1612 F1615W1575-I1579 HydrophobicContact CD2-CD1 4.09Å; W1575-I1579 HydrophobicContact CE3-CD1 3.83Å; W1575-I1579 HydrophobicContact CH2-CD1 3.28Å; W1575-I1579 HydrophobicContact CZ2-CD1 3.57Å; W1575-I1579 HydrophobicContact CZ3-CD1 3.43Å; W1575-I1579 VanDerWaalsContact CZ3-CD1 3.43Å; W1575-I1579 PolarHBondContact O-N 3.12Å; Q1576-I1579 WeakPolarHBondContact O-CB 3.5Å; Q1576-I1579 PolarHBondContact O-N 2.97Å; I1579-R1581 VanDerWaalsContact C-N 3.33Å; I1579-R1581 PolarHBondContact O-N 2.84Å; I1579-L1582 PolarHBondContact O-N 2.97Å; I1579-K1583 WeakPolarHBondContact O-CG 3.49Å; I1579-K1583 PolarHBondContact O-N 2.81Å; I1579-M1612 HydrophobicContact CD1-CE 4Å; I1579-F1615 HydrophobicContact CB-CZ 4.48Å; I1579-F1615 HydrophobicContact CD1-CD1 4.24Å; I1579-F1615 HydrophobicContact CD1-CE1 3.64Å; I1579-F1615 HydrophobicContact CD1-CZ 4.32Å; I1579-F1615 HydrophobicContact CG1-CD1 3.92Å; I1579-F1615 HydrophobicContact CG1-CE1 3.18Å; I1579-F1615 HydrophobicContact CG1-CE2 4.28Å; I1579-F1615 HydrophobicContact CG1-CZ 3.4Å; I1579-F1615 VanDerWaalsContact CG1-CZ 3.4Å
1580D74.7Confident68Low74 Ų7493.4 Ų93.440%0.39648%0.477SS..Hα-helixtrans-69.2-31.8-177.2-68.5-25.6000111.9Q1576 S1577 E1578 K1583 V1584Q1576-D1580 WeakPolarHBondContact O-CB 3.44Å; Q1576-D1580 VanDerWaalsContact O-CG 3.32Å; Q1576-D1580 PolarHBondContact O-N 2.91Å; S1577-D1580 PolarHBondContact O-N 3.26Å; E1578-D1580 VanDerWaalsContact C-N 3.35Å; D1580-K1583 PolarHBondContact O-N 2.83Å; D1580-K1583 IonicContact OD1-NZ 3.43Å; D1580-K1583 PolarHBondContact OD1-NZ 2.87Å; D1580-V1584 WeakPolarHBondContact O-CG2 3.34Å
1581R73.9Confident66.6Low105 Ų10593.7 Ų93.740%0.39648%0.483SS..Hα-helixtrans-63.2-48171.3-166.5-171.387.2-136.1-14.4110.7S1577 E1578 I1579 K1583 V1584 E1585S1577-R1581 VanDerWaalsContact O-CB 3.29Å; S1577-R1581 WeakPolarHBondContact O-CB 3.36Å; S1577-R1581 PolarHBondContact O-N 3Å; E1578-R1581 PolarHBondContact O-N 2.8Å; E1578-R1581 IonicContact OE1-CZ 2.86Å; E1578-R1581 IonicContact OE1-NH1 2.79Å; E1578-R1581 PolarHBondContact OE1-NH1 2.87Å; E1578-R1581 IonicContact OE1-NH2 2.82Å; E1578-R1581 PolarHBondContact OE1-NH2 3.25Å; E1578-R1581 IonicContact OE2-CZ 2.84Å; E1578-R1581 IonicContact OE2-NH1 3.96Å; E1578-R1581 PolarHBondContact OE2-NH1 3.4Å; E1578-R1581 IonicContact OE2-NH2 3.63Å; I1579-R1581 VanDerWaalsContact C-N 3.33Å; I1579-R1581 PolarHBondContact O-N 2.84Å; R1581-K1583 PolarHBondContact O-N 3.04Å; R1581-V1584 PolarHBondContact O-N 3.03Å; R1581-V1584 VanDerWaalsContact O-N 3.07Å; R1581-E1585 VanDerWaalsContact CD-OE2 3.24Å; R1581-E1585 WeakPolarHBondContact CD-OE2 3.22Å; R1581-E1585 HydrophobicContact CG-CG 4.11Å; R1581-E1585 WeakPolarHBondContact CG-OE2 3.45Å; R1581-E1585 IonicContact CZ-OE2 3.4Å; R1581-E1585 IonicContact NE-OE2 2.88Å; R1581-E1585 PolarHBondContact NE-OE2 3.25Å; R1581-E1585 WeakPolarHBondContact O-CB 3.27Å; R1581-E1585 PolarHBondContact O-N 2.92Å
1582L68.6Low64.9Low66 Ų6696.6 Ų96.635%0.34650%0.502SS..Hα-helixtrans-65.6-22.9178.6-71.6170.4000113.2E1578 I1579 V1584 I1610 F1615E1578-L1582 WeakPolarHBondContact O-CB 3.36Å; E1578-L1582 WeakPolarHBondContact O-CG 3.31Å; E1578-L1582 PolarHBondContact O-N 2.79Å; I1579-L1582 PolarHBondContact O-N 2.97Å; L1582-V1584 VanDerWaalsContact C-N 3.32Å; L1582-I1610 HydrophobicContact CB-CD1 3.74Å; L1582-I1610 HydrophobicContact CB-CG1 4.38Å; L1582-F1615 HydrophobicContact CD1-CD2 3.35Å; L1582-F1615 HydrophobicContact CD1-CE2 3.35Å
1583K64.5Low63.1Low130 Ų130102.2 Ų102.257%0.56553%0.531SS*.Hα-helixtrans-71.6-25.7172.7-74177.8-168.5151.40113.1I1579 D1580 R1581 I1610I1579-K1583 WeakPolarHBondContact O-CG 3.49Å; I1579-K1583 PolarHBondContact O-N 2.81Å; D1580-K1583 PolarHBondContact O-N 2.83Å; D1580-K1583 IonicContact OD1-NZ 3.43Å; D1580-K1583 PolarHBondContact OD1-NZ 2.87Å; R1581-K1583 PolarHBondContact O-N 3.04Å; K1583-I1610 HydrophobicContact CB-CD1 4.32Å; K1583-I1610 HydrophobicContact CG-CD1 3.48Å; K1583-I1610 VanDerWaalsContact CG-CD1 3.48Å
1584V66.6Low61.6Low114 Ų114100.7 Ų100.769%0.69154%0.535SS*.Hα-helixtrans-109.4-35.5-172.1-170.40000111.8D1580 R1581 L1582 F1586D1580-V1584 WeakPolarHBondContact O-CG2 3.34Å; R1581-V1584 PolarHBondContact O-N 3.03Å; R1581-V1584 VanDerWaalsContact O-N 3.07Å; L1582-V1584 VanDerWaalsContact C-N 3.32Å; V1584-F1586 PolarHBondContact O-N 3.4Å
1585E55.1Low59.9Low117 Ų117108 Ų10855%0.54756%0.558SS.*  trans-81.9106.7174.3-74.4-174.2158.900110.6R1581R1581-E1585 VanDerWaalsContact CD-OE2 3.24Å; R1581-E1585 WeakPolarHBondContact CD-OE2 3.22Å; R1581-E1585 HydrophobicContact CG-CG 4.11Å; R1581-E1585 WeakPolarHBondContact CG-OE2 3.45Å; R1581-E1585 IonicContact CZ-OE2 3.4Å; R1581-E1585 IonicContact NE-OE2 2.88Å; R1581-E1585 PolarHBondContact NE-OE2 3.25Å; R1581-E1585 WeakPolarHBondContact O-CB 3.27Å; R1581-E1585 PolarHBondContact O-N 2.92Å
1586F59.2Low57.7Low169 Ų169116.5 Ų116.574%0.74160%0.595SS**  trans-97.1133.4162.755.2-84.3000108.7V1584 I1588V1584-F1586 PolarHBondContact O-N 3.4Å; F1586-I1588 HydrophobicContact CD2-CG1 3.94Å; F1586-I1588 HydrophobicContact CE2-CD1 4.07Å; F1586-I1588 HydrophobicContact CE2-CG1 3.99Å
1587T53.5Low55.7Low124 Ų124121.6 Ų121.676%0.76162%0.616SS**  trans-95.1110.3176.9-31.50000107.9T1589T1587-T1589 PolarHBondContact O-N 3.06Å
1588I48.1Very low53.9Low134 Ų134125.1 Ų125.169%0.68764%0.635SS**  trans-74.198.2171.3-55.5173.9000107.4F1586F1586-I1588 HydrophobicContact CD2-CG1 3.94Å; F1586-I1588 HydrophobicContact CE2-CD1 4.07Å; F1586-I1588 HydrophobicContact CE2-CG1 3.99Å
1589T49Very low52Low105 Ų105133.7 Ų133.764%0.64467%0.672SS**  trans-87.7109.6170.349.80000109.5T1587 N1591T1587-T1589 PolarHBondContact O-N 3.06Å; T1589-N1591 PolarHBondContact O-N 3.18Å
1590D44.4Very low50.2Low141 Ų141139 Ų13975%0.75471%0.709SS**G310 helixtrans-64.714.8-179.6-93.3-18.1000115.5
1591N47.5Very low48.3Very low146 Ų146144.4 Ų144.478%0.78173%0.733SS**G310 helixtrans-93.14.6-166.2-94.5-1000117.3T1589T1589-N1591 PolarHBondContact O-N 3.18Å
1592D45.8Very low46.4Very low151 Ų151143.8 Ų143.881%0.80775%0.75SS**G310 helixtrans-114.825.7-176.1-83.2-26.3000116.8T1594D1592-T1594 PolarHBondContact O-N 3.36Å
1593L40.7Very low44.7Very low165 Ų165148.7 Ų148.786%0.86478%0.775SS**THydrogen-bonded Turntrans-71.811.2173.1-90169.7000115.8
1594T44.7Very low43.3Very low124 Ų124146.5 Ų146.576%0.76178%0.776SS**THydrogen-bonded Turntrans-127.88.7-173.161.10000119.4D1592D1592-T1594 PolarHBondContact O-N 3.36Å
1595K40.6Very low41.8Very low201 Ų201146.8 Ų146.887%0.87478%0.783SS**  trans-127.890.5170.1-73.1-175.8-177.8171.10114
1596K32.8Very low41Very low193 Ų193148.9 Ų148.984%0.83979%0.793SS**  trans-69.9144.1167.8-87.3175.6176.8169.40112.5
1597K34.1Very low40.1Very low191 Ų191145.3 Ų145.383%0.8379%0.788SS**  trans75.388148-68174.2178.7-173.40117.7
1598T39.1Very low39.7Very low147 Ų147147.6 Ų147.690%0.90280%0.796SS**  -137.3148.912616.20000110.2
1599K36.2Very low39.8Very low201 Ų201149.6 Ų149.687%0.87480%0.802SS**  trans-38.6139.2-163.6-71.1163.7176.2178.90117.8E1601K1599-E1601 PolarHBondContact O-N 3.36Å
1600S34.2Very low39.9Very low120 Ų120146.8 Ų146.884%0.83978%0.783SS**  trans-53.4106.5163.843.60000113.6
1601E35.2Very low40.7Very low189 Ų189144.7 Ų144.788%0.88377%0.772SS**  trans-122.2153.6150.4-79-178.517500108.3K1599 I1603K1599-E1601 PolarHBondContact O-N 3.36Å; E1601-I1603 PolarHBondContact O-N 2.92Å
1602A34.6Very low41.2Very low92 Ų92141.8 Ų141.876%0.7676%0.755SS**  trans-51127.2-152.100000114.8S1604A1602-S1604 PolarHBondContact O-N 2.7Å
1603I33.5Very low41.9Very low168 Ų168140.7 Ų140.786%0.86275%0.749SS**  trans-67.282.4159-57.8163.6000105.8E1601 S1605E1601-I1603 PolarHBondContact O-N 2.92Å; I1603-S1605 PolarHBondContact O-N 3.37Å
1604S34.4Very low42.8Very low85 Ų85137.7 Ų137.759%0.59473%0.73SS**  trans-72.7113.5157.750.50000105.9A1602 E1606A1602-S1604 PolarHBondContact O-N 2.7Å; S1604-E1606 PolarHBondContact O-N 3.42Å
1605S35.7Very low43.6Very low119 Ų119132.3 Ų132.383%0.83270%0.696SS**  trans-66.861.4174.450.60000111I1603I1603-S1605 PolarHBondContact O-N 3.37Å
1606E37.8Very low44.5Very low162 Ų162124.9 Ų124.976%0.75767%0.669SS**  trans-86.5111.9161.2-74.3179.8172.100105.3S1604 D1608S1604-E1606 PolarHBondContact O-N 3.42Å; E1606-D1608 PolarHBondContact O-N 3.43Å
1607S41.3Very low45.7Very low93 Ų93123.7 Ų123.765%0.6567%0.667SS**  trans-33.3129.2168.442.50000110.8E1609S1607-E1609 VanDerWaalsContact C-N 3.26Å; S1607-E1609 PolarHBondContact O-N 2.72Å
1608D43.2Very low46.9Very low173 Ų173121.5 Ų121.593%0.92566%0.657SS**  trans-52.693.3169.9-65.8-49.7000108.9E1606E1606-D1608 PolarHBondContact O-N 3.43Å
1609E50Low47.9Very low175 Ų175119.9 Ų119.982%0.81864%0.635SS**  trans-72.2131.3173.5-78.2-173.515900107.7S1607 D1611S1607-E1609 VanDerWaalsContact C-N 3.26Å; S1607-E1609 PolarHBondContact O-N 2.72Å; E1609-D1611 PolarHBondContact O-N 2.76Å
1610I52.9Low49.2Very low46 Ų46115 Ų11524%0.23662%0.623CS.*  trans-57.5125.4176.4-60.2164000108.4L1582 K1583 M1612 F1615L1582-I1610 HydrophobicContact CB-CD1 3.74Å; L1582-I1610 HydrophobicContact CB-CG1 4.38Å; K1583-I1610 HydrophobicContact CB-CD1 4.32Å; K1583-I1610 HydrophobicContact CG-CD1 3.48Å; K1583-I1610 VanDerWaalsContact CG-CD1 3.48Å; I1610-M1612 PolarHBondContact O-N 2.86Å; I1610-F1615 HydrophobicContact CG2-CB 4.2Å
1611D61.5Low50.8Low97 Ų97114.9 Ų114.952%0.51961%0.608SS.*  trans-63.3101.5169.3-174.4-15.9000109.1E1609 D1613 E1614 F1615E1609-D1611 PolarHBondContact O-N 2.76Å; D1611-D1613 PolarHBondContact O-N 2.85Å; D1611-D1613 PolarHBondContact OD1-N 2.88Å; D1611-E1614 HydrophobicContact CB-CB 4.29Å; D1611-E1614 PolarHBondContact O-N 2.98Å; D1611-E1614 PolarHBondContact OD1-N 2.75Å; D1611-F1615 WeakPolarHBondContact O-CB 3.13Å; D1611-F1615 PolarHBondContact O-N 2.94Å
1612M58Low52.3Low86 Ų86106.7 Ų106.742%0.42457%0.571SS.*Hα-helixtrans-64.7-27.2-176.5-71.1-64.3-63.500112.4W1575 I1579 I1610 C1616W1575-M1612 HydrophobicContact CH2-CE 4.32Å; W1575-M1612 HydrophobicContact CZ2-CE 4.47Å; I1579-M1612 HydrophobicContact CD1-CE 4Å; I1610-M1612 PolarHBondContact O-N 2.86Å; M1612-C1616 VanDerWaalsContact O-CB 3.3Å; M1612-C1616 WeakPolarHBondContact O-CB 3.46Å; M1612-C1616 PolarHBondContact O-N 2.89Å; M1612-C1616 PolarHBondContact O-SG 2.79Å
1613D59.6Low53.6Low127 Ų127109.5 Ų109.568%0.67957%0.572SS**Hα-helixtrans-76.1-43.1-179.5-78.1-21.9000110.8D1611 F1615 C1616 Q1617D1611-D1613 PolarHBondContact O-N 2.85Å; D1611-D1613 PolarHBondContact OD1-N 2.88Å; D1613-F1615 VanDerWaalsContact C-N 3.33Å; D1613-C1616 PolarHBondContact O-N 3.26Å; D1613-Q1617 PolarHBondContact O-N 2.91Å; D1613-Q1617 VanDerWaalsContact O-N 3.15Å
1614E60.6Low54.8Low102 Ų102105.2 Ų105.248%0.47755%0.548SS..Hα-helixtrans-67.2-36.3174.2-150.4-160.5146.900111.5D1611 Q1617 K1618D1611-E1614 HydrophobicContact CB-CB 4.29Å; D1611-E1614 PolarHBondContact O-N 2.98Å; D1611-E1614 PolarHBondContact OD1-N 2.75Å; E1614-Q1617 PolarHBondContact O-N 2.8Å; E1614-K1618 PolarHBondContact O-N 2.79Å; E1614-K1618 IonicContact OE1-NZ 2.65Å; E1614-K1618 PolarHBondContact OE1-NZ 2.94Å
1615F61.2Low56.3Low11 Ų11103 Ų1035%0.04853%0.531CS..Hα-helixtrans-64.1-48.4173.9178.8-101.9000112W1575 E1578 I1579 L1582 I1610 D1611 D1613 Q1617 K1618 W1619W1575-F1615 AromaticContact CD1-CE1 3.96Å; W1575-F1615 HydrophobicContact CD2-CE1 4.33Å; W1575-F1615 AromaticContact CE2-CE1 3.59Å; W1575-F1615 HydrophobicContact CZ2-CD1 4.38Å; W1575-F1615 AromaticContact CZ2-CE1 3.92Å; W1575-F1615 HydrophobicContact CZ2-CE1 3.92Å; W1575-F1615 AromaticContact NE1-CE1 3.32Å; W1575-F1615 VanDerWaalsContact NE1-CE1 3.32Å; E1578-F1615 HydrophobicContact CB-CE2 4.33Å; E1578-F1615 HydrophobicContact CB-CZ 4.13Å; E1578-F1615 HydrophobicContact CG-CE2 3.84Å; E1578-F1615 HydrophobicContact CG-CZ 4.12Å; I1579-F1615 HydrophobicContact CB-CZ 4.48Å; I1579-F1615 HydrophobicContact CD1-CD1 4.24Å; I1579-F1615 HydrophobicContact CD1-CE1 3.64Å; I1579-F1615 HydrophobicContact CD1-CZ 4.32Å; I1579-F1615 HydrophobicContact CG1-CD1 3.92Å; I1579-F1615 HydrophobicContact CG1-CE1 3.18Å; I1579-F1615 HydrophobicContact CG1-CE2 4.28Å; I1579-F1615 HydrophobicContact CG1-CZ 3.4Å; I1579-F1615 VanDerWaalsContact CG1-CZ 3.4Å; L1582-F1615 HydrophobicContact CD1-CD2 3.35Å; L1582-F1615 HydrophobicContact CD1-CE2 3.35Å; I1610-F1615 HydrophobicContact CG2-CB 4.2Å; D1611-F1615 WeakPolarHBondContact O-CB 3.13Å; D1611-F1615 PolarHBondContact O-N 2.94Å; D1613-F1615 VanDerWaalsContact C-N 3.33Å; F1615-Q1617 PolarHBondContact O-N 3Å; F1615-K1618 PolarHBondContact O-N 2.83Å; F1615-K1618 VanDerWaalsContact O-N 3.08Å; F1615-W1619 HydrophobicContact CE1-CB 4.18Å; F1615-W1619 HydrophobicContact CE2-CB 3.97Å; F1615-W1619 HydrophobicContact CE2-CG 4.12Å; F1615-W1619 HydrophobicContact CZ-CB 3.79Å; F1615-W1619 HydrophobicContact CZ-CG 4.26Å; F1615-W1619 PolarHBondContact O-N 2.65Å
1616C57.7Low57.7Low46 Ų46104.1 Ų104.131%0.31152%0.521SS..Hα-helixtrans-64.6-24.8179.1-71.60000113M1612 D1613 W1619 P1620M1612-C1616 VanDerWaalsContact O-CB 3.3Å; M1612-C1616 WeakPolarHBondContact O-CB 3.46Å; M1612-C1616 PolarHBondContact O-N 2.89Å; M1612-C1616 PolarHBondContact O-SG 2.79Å; D1613-C1616 PolarHBondContact O-N 3.26Å; C1616-W1619 WeakPolarHBondContact CA-O 3.43Å; C1616-W1619 CarbonylContact O-C 3.51Å; C1616-P1620 VanDerWaalsContact O-CA 3.24Å; C1616-P1620 WeakPolarHBondContact O-CA 3.47Å
1617Q59.5Low59.3Low167 Ų16797.8 Ų97.878%0.7849%0.494SS*.Hα-helixtrans-71.4-37.7171.2-79.2-175.52.400113.1D1613 E1614 F1615D1613-Q1617 PolarHBondContact O-N 2.91Å; D1613-Q1617 VanDerWaalsContact O-N 3.15Å; E1614-Q1617 PolarHBondContact O-N 2.8Å; F1615-Q1617 PolarHBondContact O-N 3Å
1618K59.7Low60.8Low145 Ų14594.6 Ų94.663%0.6347%0.47SS*.Hα-helixtrans-81.8-34.9177.7-76.7171.9178.21500112.7E1614 F1615E1614-K1618 PolarHBondContact O-N 2.79Å; E1614-K1618 IonicContact OE1-NZ 2.65Å; E1614-K1618 PolarHBondContact OE1-NZ 2.94Å; F1615-K1618 PolarHBondContact O-N 2.83Å; F1615-K1618 VanDerWaalsContact O-N 3.08Å
1619W58.9Low62.6Low113 Ų11389.3 Ų89.343%0.42844%0.438SS..SBendtrans-132.384.1-178.4-75.785000109W1575 E1578 F1615 C1616 K1621W1575-W1619 PolarHBondContact NE1-O 2.94Å; E1578-W1619 HydrophobicContact CG-CD2 3.93Å; E1578-W1619 HydrophobicContact CG-CE3 4.35Å; E1578-W1619 HydrophobicContact CG-CG 4.29Å; E1578-W1619 HydrophobicContact CG-CH2 4.42Å; E1578-W1619 HydrophobicContact CG-CZ2 4Å; F1615-W1619 HydrophobicContact CE1-CB 4.18Å; F1615-W1619 HydrophobicContact CE2-CB 3.97Å; F1615-W1619 HydrophobicContact CE2-CG 4.12Å; F1615-W1619 HydrophobicContact CZ-CB 3.79Å; F1615-W1619 HydrophobicContact CZ-CG 4.26Å; F1615-W1619 PolarHBondContact O-N 2.65Å; C1616-W1619 WeakPolarHBondContact CA-O 3.43Å; C1616-W1619 CarbonylContact O-C 3.51Å; W1619-K1621 PolarHBondContact O-N 3.21Å
1620P63.6Low64Low98 Ų9881.6 Ų81.664%0.63640%0.403SS*.PPolyproline II helixtrans-58.8131.8178.322.5-31.4000109.8C1616C1616-P1620 VanDerWaalsContact O-CA 3.24Å; C1616-P1620 WeakPolarHBondContact O-CA 3.47Å
1621K67.2Low65.6Low118 Ų11880.1 Ų80.151%0.51339%0.394SS..PPolyproline II helixtrans-58.5125.3175.4-172.6178-178.5179.90108.2W1575 W1619 I1623W1575-K1621 HydrophobicContact CD2-CB 4.42Å; W1575-K1621 HydrophobicContact CD2-CG 4.16Å; W1575-K1621 HydrophobicContact CE3-CG 4.24Å; W1575-K1621 HydrophobicContact CH2-CB 4.3Å; W1575-K1621 HydrophobicContact CH2-CD 3.79Å; W1575-K1621 HydrophobicContact CH2-CG 3.89Å; W1575-K1621 HydrophobicContact CZ2-CB 3.69Å; W1575-K1621 HydrophobicContact CZ2-CD 4.04Å; W1575-K1621 HydrophobicContact CZ2-CG 3.77Å; W1575-K1621 HydrophobicContact CZ3-CD 4.19Å; W1575-K1621 HydrophobicContact CZ3-CG 4.12Å; W1619-K1621 PolarHBondContact O-N 3.21Å; K1621-I1623 PolarHBondContact O-N 3.17Å
1622P68.3Low66.8Low18 Ų1875.5 Ų75.512%0.11737%0.37CS..PPolyproline II helixtrans-58.5142.2178.419.5-27.9000109.6Y1568 E1571 L1572 W1575Y1568-P1622 HydrophobicContact CD2-CB 3.97Å; Y1568-P1622 HydrophobicContact CE2-CB 3.95Å; Y1568-P1622 HydrophobicContact CE2-CG 4.39Å; Y1568-P1622 WeakPolarHBondContact CE2-O 3.29Å; E1571-P1622 HydrophobicContact CB-CB 3.86Å; E1571-P1622 HydrophobicContact CB-CG 4.02Å; L1572-P1622 HydrophobicContact CB-CG 4.06Å; L1572-P1622 HydrophobicContact CD1-CG 4.07Å; W1575-P1622 HydrophobicContact CB-CG 4.3Å
1623I60.9Low68Low151 Ų15171.4 Ų71.477%0.77435%0.349SS*.PPolyproline II helixtrans-102128.2-178-59.2169.9000107.2Y1568 K1621 T1625Y1568-I1623 WeakPolarHBondContact CD2-O 3.35Å; K1621-I1623 PolarHBondContact O-N 3.17Å; I1623-T1625 PolarHBondContact O-N 3.43Å
1624H59.9Low69.2Low77 Ų7765.4 Ų65.436%0.35632%0.317SS..PPolyproline II helixtrans-62.1136.7177.9-162.9-68.8000109.3Y1568 K1626Y1568-H1624 AromaticContact CD1-CD2 3.63Å; Y1568-H1624 HydrophobicContact CD2-CB 4.42Å; Y1568-H1624 HydrophobicContact CE1-CB 4.17Å; Y1568-H1624 AromaticContact CE1-CD2 3.37Å; Y1568-H1624 WeakPolarHBondContact CE1-CD2 3.33Å; Y1568-H1624 VanDerWaalsContact CE2-CA 3.47Å; Y1568-H1624 HydrophobicContact CE2-CB 3.99Å; Y1568-H1624 AromaticContact CZ-CD2 3.94Å; H1624-K1626 PolarHBondContact O-N 3.21Å
1625T65.7Low70.2Confident40 Ų4062.1 Ų62.125%0.24530%0.303CS..PPolyproline II helixtrans-65.9135175.751.30000109.5E1564 I1623E1564-T1625 HydrophobicContact CB-CG2 3.97Å; E1564-T1625 WeakPolarHBondContact OE2-CB 3.3Å; E1564-T1625 VanDerWaalsContact OE2-CG2 3.32Å; E1564-T1625 WeakPolarHBondContact OE2-CG2 3Å; I1623-T1625 PolarHBondContact O-N 3.43Å
1626K64.4Low71Confident142 Ų14262 Ų6262%0.61730%0.304SS*.PPolyproline II helixtrans-70.2132.9179.2-72.1-175.4-174.8174.40108N1140 H1624N1140-K1626 PolarHBondContact ND2-NZ 3.21Å; N1140-K1626 VanDerWaalsContact ND2-NZ 3.11Å; H1624-K1626 PolarHBondContact O-N 3.21Å
1627P70.9Confident72Confident28 Ų2859.9 Ų59.918%0.18229%0.29CS..PPolyproline II helixtrans-6415317627.8-34.6000110.7E1558 L1559 I1560 Y1629E1558-P1627 HydrophobicContact CG-CB 3.48Å; E1558-P1627 VanDerWaalsContact CG-CB 3.48Å; E1558-P1627 HydrophobicContact CG-CG 4Å; L1559-P1627 WeakPolarHBondContact O-CA 3.47Å; I1560-P1627 HydrophobicContact CG1-CB 4.1Å; P1627-Y1629 HydrophobicContact CG-CE1 4.19Å; P1627-Y1629 HydrophobicContact CG-CE2 4.31Å; P1627-Y1629 WeakPolarHBondContact CG-OH 3.19Å
1628V73.9Confident73Confident26 Ų2652 Ų5216%0.15825%0.252CS..EExtended strand (participates in β ladder)trans-95.3143.2172.1-170.50000108.9D1460 L1559D1460-V1628 HydrophobicContact CB-CG1 4Å; D1460-V1628 WeakPolarHBondContact O-CG2 3.34Å; L1559-V1628 HydrophobicContact CB-CB 4.39Å; L1559-V1628 WeakPolarHBondContact CB-O 3.32Å; L1559-V1628 PolarHBondContact N-O 3.39Å; L1559-V1628 PolarHBondContact O-N 3.21Å
1629Y79.7Confident73.8Confident63 Ų6345 Ų4525%0.24722%0.222CC..EExtended strand (participates in β ladder)trans-112138.1-176.7-60.6-71.6000111.4F1511 I1556 C1557 E1558 P1627 Y1631F1511-Y1629 HydrophobicContact CZ-CE1 4.22Å; I1556-Y1629 HydrophobicContact CG2-CD1 3.6Å; I1556-Y1629 HydrophobicContact CG2-CE1 4.32Å; I1556-Y1629 HydrophobicContact CG2-CG 4.26Å; C1557-Y1629 WeakPolarHBondContact O-CA 3.47Å; E1558-Y1629 HydrophobicContact CB-CD1 4.22Å; E1558-Y1629 HydrophobicContact CB-CE1 4.04Å; E1558-Y1629 HydrophobicContact CG-CE1 4.13Å; P1627-Y1629 HydrophobicContact CG-CE1 4.19Å; P1627-Y1629 HydrophobicContact CG-CE2 4.31Å; P1627-Y1629 WeakPolarHBondContact CG-OH 3.19Å; Y1629-Y1631 VanDerWaalsContact CB-OH 3.24Å; Y1629-Y1631 WeakPolarHBondContact CB-OH 3.47Å
1630V80.8Confident74.5Confident13 Ų1341.1 Ų41.18%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-122.2140.8170-177.90000108.5L1465 C1557 L1559L1465-V1630 HydrophobicContact CD1-CG1 3.46Å; L1465-V1630 VanDerWaalsContact CD1-CG1 3.46Å; L1465-V1630 HydrophobicContact CG-CG1 3.65Å; C1557-V1630 HydrophobicContact CB-CB 4.2Å; C1557-V1630 WeakPolarHBondContact CB-O 3.43Å; C1557-V1630 PolarHBondContact N-O 3.35Å; C1557-V1630 PolarHBondContact O-N 3.48Å; L1559-V1630 HydrophobicContact CD1-CG2 3.45Å; L1559-V1630 VanDerWaalsContact CD1-CG2 3.45Å; L1559-V1630 HydrophobicContact CG-CG2 4.39Å
1631Y84.8Confident74.8Confident15 Ų1540.8 Ų40.86%0.05920%0.202CC..EExtended strand (participates in β ladder)trans-117.6138.5-170.5-57.8-80.2000112N1070 N1071 H1468 K1554 L1555 I1556 Y1629N1070-Y1631 VanDerWaalsContact O-CE2 3.25Å; N1070-Y1631 WeakPolarHBondContact O-CE2 3.37Å; N1070-Y1631 PolarHBondContact O-OH 2.74Å; N1071-Y1631 WeakPolarHBondContact CA-OH 3.41Å; H1468-Y1631 PolarHBondContact ND1-O 2.78Å; K1554-Y1631 HydrophobicContact CD-CD1 4.26Å; K1554-Y1631 VanDerWaalsContact CE-CE1 3.43Å; K1554-Y1631 HydrophobicContact CG-CD1 4.15Å; L1555-Y1631 WeakPolarHBondContact O-CA 3.42Å; I1556-Y1631 HydrophobicContact CB-CD1 4.49Å; I1556-Y1631 HydrophobicContact CB-CE1 4.38Å; I1556-Y1631 HydrophobicContact CD1-CE1 4.27Å; I1556-Y1631 HydrophobicContact CG1-CD1 3.96Å; I1556-Y1631 HydrophobicContact CG1-CE1 3.87Å; I1556-Y1631 HydrophobicContact CG2-CD1 4.38Å; I1556-Y1631 HydrophobicContact CG2-CE1 3.91Å; Y1629-Y1631 VanDerWaalsContact CB-OH 3.24Å; Y1629-Y1631 WeakPolarHBondContact CB-OH 3.47Å
1632L86.6Confident74.8Confident0 Ų041.2 Ų41.20%021%0.207CC..EExtended strand (participates in β ladder)trans-125.4125.7166.9-178.672.5000108.7L1465 H1467 I1470 I1485 W1510 V1540 L1555L1465-L1632 HydrophobicContact CD1-CB 4.31Å; H1467-L1632 VanDerWaalsContact O-CD1 3.24Å; H1467-L1632 WeakPolarHBondContact O-CD1 3.5Å; I1470-L1632 HydrophobicContact CD1-CD1 4.08Å; I1470-L1632 HydrophobicContact CD1-CD2 3.87Å; I1470-L1632 HydrophobicContact CD1-CG 4.27Å; I1470-L1632 HydrophobicContact CG1-CD1 4.09Å; I1485-L1632 HydrophobicContact CD1-CD1 4.4Å; I1485-L1632 HydrophobicContact CD1-CD2 3.55Å; W1510-L1632 HydrophobicContact CH2-CB 3.94Å; W1510-L1632 HydrophobicContact CZ3-CB 4.04Å; V1540-L1632 HydrophobicContact CG2-CD2 3.82Å; L1555-L1632 HydrophobicContact CB-CB 4.2Å; L1555-L1632 HydrophobicContact CD1-CD2 3.93Å; L1555-L1632 PolarHBondContact N-O 3.47Å; L1555-L1632 PolarHBondContact O-N 2.94Å
1633T84.1Confident74.8Confident0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-107132.1179.3-50.30000109.5V1075 H1468 L1469 I1470 E1552 I1553V1075-T1633 HydrophobicContact CG1-CG2 4.36Å; H1468-T1633 PolarHBondContact O-N 3.13Å; L1469-T1633 CarbonylContact C-O 3.49Å; L1469-T1633 WeakPolarHBondContact CA-O 3.41Å; L1469-T1633 HydrophobicContact CD1-CG2 4.23Å; I1470-T1633 PolarHBondContact N-O 3.16Å; E1552-T1633 HydrophobicContact CG-CG2 3.75Å; I1553-T1633 CarbonylContact O-C 3.52Å; I1553-T1633 WeakPolarHBondContact O-CA 3.35Å
1634I84.7Confident75.2Confident1 Ų133.2 Ų33.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-115.8122.2177.1-56.3166.9000108.4I1470 L1472 V1521 V1540 F1542 E1552 I1553 L1555I1470-I1634 HydrophobicContact CB-CG1 4.33Å; I1470-I1634 HydrophobicContact CD1-CG1 4.39Å; I1470-I1634 WeakPolarHBondContact O-CA 3.34Å; L1472-I1634 HydrophobicContact CD1-CG2 3.75Å; L1472-I1634 HydrophobicContact CG-CG2 4.28Å; V1521-I1634 HydrophobicContact CB-CD1 4.49Å; V1521-I1634 HydrophobicContact CG1-CD1 3.7Å; V1521-I1634 HydrophobicContact CG2-CD1 3.88Å; V1540-I1634 HydrophobicContact CG1-CD1 3.57Å; F1542-I1634 HydrophobicContact CD2-CG2 3.92Å; E1552-I1634 WeakPolarHBondContact CA-O 3.24Å; I1553-I1634 HydrophobicContact CB-CB 4.46Å; I1553-I1634 PolarHBondContact N-O 2.68Å; I1553-I1634 PolarHBondContact O-N 3.15Å; L1555-I1634 HydrophobicContact CD1-CD1 3.68Å; L1555-I1634 HydrophobicContact CG-CD1 4.38Å
1635N81.1Confident75.6Confident33 Ų3336.9 Ų36.918%0.17618%0.179CC..EExtended strand (participates in β ladder)trans-111128.5178.9-88.515.6000110.6R1079 L1469 I1470 E1471 L1472 E1552R1079-N1635 PolarHBondContact NH2-ND2 2.82Å; L1469-N1635 HydrophobicContact CD1-CB 4.42Å; I1470-N1635 PolarHBondContact O-N 2.93Å; E1471-N1635 HydrophobicContact CG-CB 4.29Å; L1472-N1635 PolarHBondContact N-O 2.85Å; E1552-N1635 WeakPolarHBondContact CG-OD1 3.2Å
1636A78.2Confident75.6Confident8 Ų838.6 Ų38.67%0.06619%0.186CC..EExtended strand (participates in β ladder)trans-148142.2174.700000112L1472 N1473 I1475 F1542 T1551L1472-A1636 HydrophobicContact CB-CB 4.25Å; N1473-A1636 WeakPolarHBondContact O-CA 3.47Å; I1475-A1636 HydrophobicContact CD1-CB 3.52Å; I1475-A1636 HydrophobicContact CG1-CB 4.28Å; F1542-A1636 HydrophobicContact CE1-CB 4.02Å; F1542-A1636 HydrophobicContact CE2-CB 4.19Å; F1542-A1636 HydrophobicContact CZ-CB 3.7Å; T1551-A1636 HydrophobicContact CG2-CB 3.88Å; T1551-A1636 PolarHBondContact N-O 2.81Å; T1551-A1636 PolarHBondContact O-N 3.26Å
1637E79.3Confident75.7Confident2 Ų232.8 Ų32.81%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-98.9108.7164.7-176.6-174.3177.600108.1I1403 N1473 R1474 I1475 F1550 I1639I1403-E1637 HydrophobicContact CD1-CB 3.87Å; I1403-E1637 WeakPolarHBondContact CD1-OE2 3.18Å; N1473-E1637 PolarHBondContact O-N 2.81Å; R1474-E1637 WeakPolarHBondContact CA-O 3.49Å; R1474-E1637 HydrophobicContact CG-CB 4.1Å; R1474-E1637 HydrophobicContact CG-CG 4.35Å; R1474-E1637 WeakPolarHBondContact CG-OE2 3.19Å; R1474-E1637 IonicContact CZ-OE2 2.69Å; R1474-E1637 IonicContact NE-OE2 2.86Å; R1474-E1637 PolarHBondContact NE-OE2 3.14Å; R1474-E1637 IonicContact NH2-OE2 2.86Å; I1475-E1637 PolarHBondContact N-O 2.82Å; F1550-E1637 HydrophobicContact CD1-CB 3.94Å; F1550-E1637 HydrophobicContact CD1-CG 3.82Å; F1550-E1637 HydrophobicContact CE1-CB 3.82Å; F1550-E1637 VanDerWaalsContact CE1-CD 3.42Å; F1550-E1637 HydrophobicContact CE1-CG 3.4Å; F1550-E1637 VanDerWaalsContact CE1-CG 3.4Å; F1550-E1637 HydrophobicContact CZ-CG 3.88Å; E1637-I1639 HydrophobicContact CG-CG2 3.79Å
1638I79.3Confident75.1Confident0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-83.2119176.7-59.1176.3000108.2I1475 I1477 F1542 A1544 P1548 R1549 T1551I1475-I1638 CarbonylContact O-C 3.53Å; I1475-I1638 WeakPolarHBondContact O-CA 3.25Å; I1477-I1638 HydrophobicContact CD1-CG2 4.29Å; I1477-I1638 HydrophobicContact CG1-CG2 3.39Å; F1542-I1638 HydrophobicContact CZ-CD1 4.1Å; F1542-I1638 HydrophobicContact CZ-CG1 4.3Å; A1544-I1638 HydrophobicContact CB-CG1 4.36Å; A1544-I1638 HydrophobicContact CB-CG2 4.34Å; P1548-I1638 CarbonylContact C-O 3.54Å; P1548-I1638 WeakPolarHBondContact CA-O 3.28Å; R1549-I1638 HydrophobicContact CG-CB 4.45Å; R1549-I1638 HydrophobicContact CG-CD1 4.13Å; R1549-I1638 PolarHBondContact N-O 3.26Å; R1549-I1638 VanDerWaalsContact N-O 3.15Å; R1549-I1638 PolarHBondContact O-N 2.9Å; T1551-I1638 HydrophobicContact CG2-CD1 4.32Å
1639I76.8Confident74.2Confident0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-119155.3-177.763.6170.6000111.7R1474 I1475 I1476 I1477 E1637 A1643 A1644 Y1647 V1649R1474-I1639 HydrophobicContact CB-CD1 4.18Å; I1475-I1639 WeakPolarHBondContact O-CG1 3.49Å; I1475-I1639 PolarHBondContact O-N 3.29Å; I1476-I1639 WeakPolarHBondContact CA-O 3.44Å; I1476-I1639 HydrophobicContact CG1-CD1 4.48Å; I1476-I1639 HydrophobicContact CG1-CG1 4.33Å; I1477-I1639 WeakPolarHBondContact CG1-O 3.16Å; I1477-I1639 PolarHBondContact N-O 3.17Å; E1637-I1639 HydrophobicContact CG-CG2 3.79Å; I1639-A1643 HydrophobicContact CB-CB 4.01Å; I1639-A1643 HydrophobicContact CD1-CB 4.48Å; I1639-A1644 HydrophobicContact CD1-CB 3.9Å; I1639-Y1647 HydrophobicContact CD1-CD2 4.31Å; I1639-V1649 HydrophobicContact CD1-CG2 4.04Å
1640N74.2Confident72.7Confident30 Ų3033.2 Ų33.216%0.1617%0.172CC..  trans-84.1168.5171.767.6-3.9000111.5I1477 P1548 E1642 A1643 A1644I1477-N1640 HydrophobicContact CD1-CB 4.37Å; P1548-N1640 HydrophobicContact CG-CB 4.2Å; N1640-E1642 VanDerWaalsContact C-N 3.26Å; N1640-E1642 PolarHBondContact O-N 3.11Å; N1640-A1643 PolarHBondContact O-N 3.47Å; N1640-A1643 WeakPolarHBondContact OD1-CB 3.27Å; N1640-A1643 PolarHBondContact OD1-N 3.44Å; N1640-A1644 PolarHBondContact O-N 2.65Å
1641D69.3Low71.1Confident91 Ų9139.9 Ų39.949%0.48721%0.207SC..Hα-helixtrans-58.8-34.1179.9-73.1-16.2000113.8I1476 A1644 K1645I1476-D1641 WeakPolarHBondContact CG2-OD1 3.37Å; D1641-A1644 PolarHBondContact O-N 3.22Å; D1641-K1645 WeakPolarHBondContact O-CG 3.4Å; D1641-K1645 PolarHBondContact O-N 3.01Å; D1641-K1645 VanDerWaalsContact O-N 3.15Å
1642E68.4Low69.2Low128 Ų12846 Ų4660%0.59824%0.236SC*.Hα-helixtrans-66.6-44.3178.2-67.8-175.1163.700111.4L1271 N1640 A1644 K1645 I1646L1271-E1642 HydrophobicContact CD2-CB 4.27Å; N1640-E1642 VanDerWaalsContact C-N 3.26Å; N1640-E1642 PolarHBondContact O-N 3.11Å; E1642-A1644 VanDerWaalsContact C-N 3.34Å; E1642-K1645 PolarHBondContact O-N 3.21Å; E1642-I1646 PolarHBondContact O-N 2.71Å
1643A68.5Low67.1Low0 Ų048.5 Ų48.50%026%0.262CS..Hα-helixtrans-63.8-40.9174.400000111.4L1271 I1639 N1640 K1645 I1646 Y1647L1271-A1643 HydrophobicContact CB-CB 4.25Å; L1271-A1643 HydrophobicContact CD1-CB 3.8Å; L1271-A1643 HydrophobicContact CD2-CB 3.87Å; L1271-A1643 HydrophobicContact CG-CB 4.19Å; I1639-A1643 HydrophobicContact CB-CB 4.01Å; I1639-A1643 HydrophobicContact CD1-CB 4.48Å; N1640-A1643 PolarHBondContact O-N 3.47Å; N1640-A1643 WeakPolarHBondContact OD1-CB 3.27Å; N1640-A1643 PolarHBondContact OD1-N 3.44Å; A1643-K1645 VanDerWaalsContact C-N 3.28Å; A1643-K1645 PolarHBondContact O-N 3.01Å; A1643-I1646 PolarHBondContact O-N 2.87Å; A1643-I1646 VanDerWaalsContact O-N 3.14Å; A1643-Y1647 HydrophobicContact CB-CD2 4.14Å; A1643-Y1647 HydrophobicContact CB-CE2 3.97Å; A1643-Y1647 WeakPolarHBondContact O-CD2 3.35Å; A1643-Y1647 PolarHBondContact O-N 2.95Å
1644A67.7Low65.3Low1 Ų156.7 Ų56.71%0.00830%0.297CS..Hα-helixtrans-59.2-38.7178.900000112.8I1476 I1639 N1640 D1641 E1642 G1648 V1649I1476-A1644 HydrophobicContact CD1-CB 3.52Å; I1476-A1644 HydrophobicContact CG1-CB 3.73Å; I1639-A1644 HydrophobicContact CD1-CB 3.9Å; N1640-A1644 PolarHBondContact O-N 2.65Å; D1641-A1644 PolarHBondContact O-N 3.22Å; E1642-A1644 VanDerWaalsContact C-N 3.34Å; A1644-G1648 PolarHBondContact O-N 3.2Å; A1644-V1649 HydrophobicContact CB-CB 4.33Å; A1644-V1649 PolarHBondContact O-N 3.4Å
1645K68.5Low63.4Low153 Ų15359.1 Ų59.167%0.66531%0.312SS*.Hα-helixtrans-65.7-42.5174.8-72.8173.7-177.3174.30112.5D1641 E1642 A1643 G1648D1641-K1645 WeakPolarHBondContact O-CG 3.4Å; D1641-K1645 PolarHBondContact O-N 3.01Å; D1641-K1645 VanDerWaalsContact O-N 3.15Å; E1642-K1645 PolarHBondContact O-N 3.21Å; A1643-K1645 VanDerWaalsContact C-N 3.28Å; A1643-K1645 PolarHBondContact O-N 3.01Å; K1645-G1648 PolarHBondContact O-N 2.83Å
1646I65.6Low61.6Low77 Ų7759.9 Ų59.940%0.39532%0.32SS..Hα-helixtrans-67.8-40.9-179.7-65.4-172.9000111L1271 P1395 E1642 A1643 G1648L1271-I1646 HydrophobicContact CD1-CB 4.45Å; L1271-I1646 HydrophobicContact CD1-CD1 4.13Å; L1271-I1646 HydrophobicContact CD2-CD1 3.85Å; L1271-I1646 HydrophobicContact CG-CD1 4.28Å; P1395-I1646 HydrophobicContact CB-CG2 3.81Å; P1395-I1646 HydrophobicContact CG-CG2 4.15Å; E1642-I1646 PolarHBondContact O-N 2.71Å; A1643-I1646 PolarHBondContact O-N 2.87Å; A1643-I1646 VanDerWaalsContact O-N 3.14Å; I1646-G1648 PolarHBondContact O-N 3.22Å
1647Y66.5Low60.4Low19 Ų1964.9 Ų64.98%0.07534%0.34CS..THydrogen-bonded Turntrans-80.6-1.4-179.7-63.1-43.8000114.2P1268 L1271 Y1393 P1395 P1400 I1639 A1643 V1649P1268-Y1647 VanDerWaalsContact CB-OH 3.3Å; P1268-Y1647 WeakPolarHBondContact CB-OH 3.48Å; P1268-Y1647 WeakPolarHBondContact CG-OH 3.37Å; L1271-Y1647 HydrophobicContact CD1-CE2 4.05Å; Y1393-Y1647 PolarHBondContact OH-OH 3.5Å; P1395-Y1647 HydrophobicContact CB-CE1 4.24Å; P1400-Y1647 HydrophobicContact CB-CD1 3.56Å; P1400-Y1647 HydrophobicContact CB-CE1 4.2Å; P1400-Y1647 HydrophobicContact CB-CG 4.34Å; I1639-Y1647 HydrophobicContact CD1-CD2 4.31Å; A1643-Y1647 HydrophobicContact CB-CD2 4.14Å; A1643-Y1647 HydrophobicContact CB-CE2 3.97Å; A1643-Y1647 WeakPolarHBondContact O-CD2 3.35Å; A1643-Y1647 PolarHBondContact O-N 2.95Å; Y1647-V1649 PolarHBondContact O-N 3.18Å
1648G58.7Low59.1Low26 Ų2667.6 Ų67.627%0.26836%0.355SS..THydrogen-bonded Turntrans66.820.418000000114A1644 K1645 I1646 N1650 N1651A1644-G1648 PolarHBondContact O-N 3.2Å; K1645-G1648 PolarHBondContact O-N 2.83Å; I1646-G1648 PolarHBondContact O-N 3.22Å; G1648-N1650 PolarHBondContact O-N 3.49Å; G1648-N1650 VanDerWaalsContact O-N 3.15Å; G1648-N1651 WeakPolarHBondContact O-CB 3.09Å; G1648-N1651 PolarHBondContact O-N 3.05Å
1649V56Low57.5Low19 Ų1969.3 Ų69.312%0.11536%0.364CS..G310 helixtrans-60-30.2-177.6178.40000111.2R1474 I1476 I1639 A1644 Y1647 N1651 T1655R1474-V1649 HydrophobicContact CB-CG2 4.46Å; I1476-V1649 HydrophobicContact CD1-CG1 4.28Å; I1476-V1649 HydrophobicContact CG1-CG1 4.38Å; I1639-V1649 HydrophobicContact CD1-CG2 4.04Å; A1644-V1649 HydrophobicContact CB-CB 4.33Å; A1644-V1649 PolarHBondContact O-N 3.4Å; Y1647-V1649 PolarHBondContact O-N 3.18Å; V1649-N1651 VanDerWaalsContact C-N 3.3Å; V1649-N1651 PolarHBondContact O-N 3.42Å; V1649-T1655 WeakPolarHBondContact CG1-OG1 3.06Å
1650N48Very low56.1Low82 Ų8274.3 Ų74.344%0.43938%0.383SS..G310 helixtrans-71.7-17.7175.4-75.91.5000114.4G1648G1648-N1650 PolarHBondContact O-N 3.49Å; G1648-N1650 VanDerWaalsContact O-N 3.15Å
1651N46.3Very low54.9Low152 Ų15274.9 Ų74.981%0.81339%0.392SS*.G310 helixtrans-78-22.6-175.5-77.8-5.9000113.2G1648 V1649G1648-N1651 WeakPolarHBondContact O-CB 3.09Å; G1648-N1651 PolarHBondContact O-N 3.05Å; V1649-N1651 VanDerWaalsContact C-N 3.3Å; V1649-N1651 PolarHBondContact O-N 3.42Å
1652E44.4Very low53.9Low143 Ų14371 Ų7167%0.66837%0.371SS*.G310 helixtrans-85-7.6-177.7-68-160.7159.500114.2K1654E1652-K1654 HydrophobicContact CB-CB 4.47Å; E1652-K1654 PolarHBondContact O-N 3.05Å
1653G43.9Very low52.8Low53 Ų5368.9 Ų68.955%0.54636%0.36SS..SBendtrans60.11.4-177.700000115.2
1654K46.1Very low51.6Low173 Ų17375.7 Ų75.775%0.75239%0.39SS*.SBendtrans-91.4-14-172.1-78.9178.3-178.6174.20114.7E1652E1652-K1654 HydrophobicContact CB-CB 4.47Å; E1652-K1654 PolarHBondContact O-N 3.05Å
1655T44.5Very low50.3Low51 Ų5179 Ų7931%0.31341%0.408SS..SBendtrans-133.45.9-172.752.40000114.1V1649 F1657V1649-T1655 WeakPolarHBondContact CG1-OG1 3.06Å; T1655-F1657 PolarHBondContact O-N 2.98Å
1656S43.9Very low49.2Very low49 Ų4976 Ų7634%0.34341%0.405SS..  trans-100.568.6-171.5570000112.7
1657F51.8Low48.2Very low113 Ų11378.4 Ų78.450%0.49642%0.419SS..  trans-134.9108.9160-85.6-96000109.5T1479 T1655 Q1818T1479-F1657 WeakPolarHBondContact CG2-O 3.32Å; T1655-F1657 PolarHBondContact O-N 2.98Å; F1657-Q1818 HydrophobicContact CD1-CB 4.31Å; F1657-Q1818 HydrophobicContact CE1-CB 4.06Å; F1657-Q1818 HydrophobicContact CE1-CG 3.89Å; F1657-Q1818 VanDerWaalsContact CE1-OE1 3.25Å
1658I52.2Low46.8Very low60 Ų6080.3 Ų80.331%0.30843%0.428SS..BIsolated β-bridgetrans-78.8122.3175.5-62168.9000106.3Y1660I1658-Y1660 VanDerWaalsContact C-N 3.33Å; I1658-Y1660 HydrophobicContact CB-CD2 4.29Å; I1658-Y1660 HydrophobicContact CB-CE2 3.91Å; I1658-Y1660 HydrophobicContact CG2-CD1 4.42Å; I1658-Y1660 HydrophobicContact CG2-CD2 4.32Å; I1658-Y1660 HydrophobicContact CG2-CE1 4.28Å; I1658-Y1660 HydrophobicContact CG2-CE2 4.23Å; I1658-Y1660 HydrophobicContact CG2-CG 4.45Å; I1658-Y1660 WeakPolarHBondContact O-CD2 3.32Å; I1658-Y1660 PolarHBondContact O-N 3.09Å
1659D46.9Very low46.1Very low35 Ų3583.9 Ų83.919%0.18745%0.45CS..  trans-74.890.4174-1787.6000108.8G1478 C1480 A1661 Q1662G1478-D1659 PolarHBondContact O-N 2.77Å; C1480-D1659 HydrophobicContact CB-CB 4.39Å; D1659-A1661 PolarHBondContact O-N 3.31Å; D1659-A1661 VanDerWaalsContact O-N 3.14Å; D1659-A1661 WeakPolarHBondContact OD1-CA 3.48Å; D1659-A1661 WeakPolarHBondContact OD1-CB 3.4Å; D1659-A1661 PolarHBondContact OD1-N 2.75Å; D1659-Q1662 HydrophobicContact CB-CG 4.29Å; D1659-Q1662 VanDerWaalsContact O-CB 3.3Å; D1659-Q1662 WeakPolarHBondContact O-CB 3.39Å; D1659-Q1662 VanDerWaalsContact O-CG 3.31Å; D1659-Q1662 WeakPolarHBondContact O-CG 3.49Å; D1659-Q1662 PolarHBondContact O-N 3.31Å
1660Y47.1Very low45.3Very low106 Ų10684 Ų8442%0.41645%0.452SS..G310 helixtrans-66.4-9.9176.2-64.2-90.3000112.3I1658 Q1662 F1663 P1815I1658-Y1660 VanDerWaalsContact C-N 3.33Å; I1658-Y1660 HydrophobicContact CB-CD2 4.29Å; I1658-Y1660 HydrophobicContact CB-CE2 3.91Å; I1658-Y1660 HydrophobicContact CG2-CD1 4.42Å; I1658-Y1660 HydrophobicContact CG2-CD2 4.32Å; I1658-Y1660 HydrophobicContact CG2-CE1 4.28Å; I1658-Y1660 HydrophobicContact CG2-CE2 4.23Å; I1658-Y1660 HydrophobicContact CG2-CG 4.45Å; I1658-Y1660 WeakPolarHBondContact O-CD2 3.32Å; I1658-Y1660 PolarHBondContact O-N 3.09Å; Y1660-Q1662 PolarHBondContact O-N 2.94Å; Y1660-F1663 HydrophobicContact CD1-CD2 4.31Å; Y1660-F1663 AromaticContact CD1-CE2 3.95Å; Y1660-F1663 HydrophobicContact CD1-CE2 3.95Å; Y1660-F1663 WeakPolarHBondContact O-CD2 3.48Å; Y1660-F1663 PolarHBondContact O-N 3.14Å; Y1660-F1663 VanDerWaalsContact O-N 3.16Å; Y1660-P1815 HydrophobicContact CD2-CB 3.51Å; Y1660-P1815 HydrophobicContact CD2-CG 3.63Å; Y1660-P1815 HydrophobicContact CE2-CB 4.41Å; Y1660-P1815 HydrophobicContact CE2-CG 4.15Å; Y1660-P1815 HydrophobicContact CG-CB 3.8Å; Y1660-P1815 HydrophobicContact CG-CG 3.87Å
1661A48Very low44.9Very low41 Ų4180.7 Ų80.734%0.33944%0.436SS..G310 helixtrans-67.2-14.9169.200000112.1D1659 F1663 F1664 N1665D1659-A1661 PolarHBondContact O-N 3.31Å; D1659-A1661 VanDerWaalsContact O-N 3.14Å; D1659-A1661 WeakPolarHBondContact OD1-CA 3.48Å; D1659-A1661 WeakPolarHBondContact OD1-CB 3.4Å; D1659-A1661 PolarHBondContact OD1-N 2.75Å; A1661-F1663 PolarHBondContact O-N 3.36Å; A1661-F1663 VanDerWaalsContact O-N 3.16Å; A1661-F1664 WeakPolarHBondContact O-CA 3.42Å; A1661-F1664 WeakPolarHBondContact O-CB 3.37Å; A1661-F1664 PolarHBondContact O-N 3.28Å; A1661-N1665 PolarHBondContact O-N 2.95Å
1662Q49Very low44.6Very low9 Ų981.1 Ų81.14%0.04243%0.431CS..G310 helixtrans-58.3-25.9169.6-70-170.113.800113.1G1478 N1545 D1659 Y1660 F1664 N1665 H1668G1478-Q1662 PolarHBondContact O-NE2 3.41Å; N1545-Q1662 PolarHBondContact OD1-NE2 2.66Å; N1545-Q1662 PolarHBondContact OD1-OE1 3.06Å; D1659-Q1662 HydrophobicContact CB-CG 4.29Å; D1659-Q1662 VanDerWaalsContact O-CB 3.3Å; D1659-Q1662 WeakPolarHBondContact O-CB 3.39Å; D1659-Q1662 VanDerWaalsContact O-CG 3.31Å; D1659-Q1662 WeakPolarHBondContact O-CG 3.49Å; D1659-Q1662 PolarHBondContact O-N 3.31Å; Y1660-Q1662 PolarHBondContact O-N 2.94Å; Q1662-F1664 PolarHBondContact O-N 2.96Å; Q1662-N1665 WeakPolarHBondContact O-CB 3.48Å; Q1662-N1665 PolarHBondContact O-N 2.8Å; Q1662-H1668 WeakPolarHBondContact O-CB 3.46Å
1663F44.5Very low44.5Very low85 Ų8576.9 Ų76.937%0.37342%0.421SS..G310 helixtrans-64.1-23.2171.8-73.9-79.4000113Y1660 A1661 A1670 A1671 L1674Y1660-F1663 HydrophobicContact CD1-CD2 4.31Å; Y1660-F1663 AromaticContact CD1-CE2 3.95Å; Y1660-F1663 HydrophobicContact CD1-CE2 3.95Å; Y1660-F1663 WeakPolarHBondContact O-CD2 3.48Å; Y1660-F1663 PolarHBondContact O-N 3.14Å; Y1660-F1663 VanDerWaalsContact O-N 3.16Å; A1661-F1663 PolarHBondContact O-N 3.36Å; A1661-F1663 VanDerWaalsContact O-N 3.16Å; F1663-A1670 HydrophobicContact CD1-CB 3.55Å; F1663-A1670 HydrophobicContact CE1-CB 3.59Å; F1663-A1671 WeakPolarHBondContact O-CB 3.47Å; F1663-L1674 HydrophobicContact CB-CD1 3.92Å; F1663-L1674 HydrophobicContact CD1-CD1 3.83Å; F1663-L1674 HydrophobicContact CG-CD1 4.31Å
1664F43Very low44.2Very low143 Ų14377.3 Ų77.363%0.62741%0.41SS*.THydrogen-bonded Turntrans-93.4-12.1172.2-58.6-68.7000113.2A1661 Q1662 S1666A1661-F1664 WeakPolarHBondContact O-CA 3.42Å; A1661-F1664 WeakPolarHBondContact O-CB 3.37Å; A1661-F1664 PolarHBondContact O-N 3.28Å; Q1662-F1664 PolarHBondContact O-N 2.96Å; F1664-S1666 PolarHBondContact O-N 3.43Å
1665N42.4Very low44Very low71 Ų7173 Ų7338%0.3840%0.401SS..SBendtrans-70.2118.3176.8-164.5-16.8000109.2A1661 Q1662 N1667 H1668 A1671A1661-N1665 PolarHBondContact O-N 2.95Å; Q1662-N1665 WeakPolarHBondContact O-CB 3.48Å; Q1662-N1665 PolarHBondContact O-N 2.8Å; N1665-N1667 PolarHBondContact O-N 2.88Å; N1665-H1668 WeakPolarHBondContact O-CB 3.45Å; N1665-H1668 PolarHBondContact O-N 2.88Å; N1665-A1671 WeakPolarHBondContact O-CB 3.31Å
1666S44.3Very low44.1Very low88 Ų8875.1 Ų75.162%0.61542%0.418SS*.THydrogen-bonded Turntrans-55.2-21-174.462.40000114.7F1664F1664-S1666 PolarHBondContact O-N 3.43Å
1667N43.8Very low43.9Very low129 Ų12975.6 Ų75.669%0.6942%0.419SS*.THydrogen-bonded Turntrans-88.4-11.1179.3-65.1-20000113.8N1665N1665-N1667 PolarHBondContact O-N 2.88Å
1668H37.1Very low43.5Very low58 Ų5879.3 Ų79.327%0.26944%0.435SS..SBendtrans-76.4134.2177-166.6-96.1000110.3Q1662 N1665 A1670 A1671Q1662-H1668 WeakPolarHBondContact O-CB 3.46Å; N1665-H1668 WeakPolarHBondContact O-CB 3.45Å; N1665-H1668 PolarHBondContact O-N 2.88Å; H1668-A1670 VanDerWaalsContact ND1-CB 3.34Å; H1668-A1670 WeakPolarHBondContact ND1-CB 3.11Å; H1668-A1670 PolarHBondContact ND1-N 3.16Å; H1668-A1670 PolarHBondContact O-N 2.78Å; H1668-A1670 VanDerWaalsContact O-N 3.15Å; H1668-A1671 HydrophobicContact CB-CB 4.43Å; H1668-A1671 VanDerWaalsContact O-CB 3.28Å; H1668-A1671 WeakPolarHBondContact O-CB 3.22Å; H1668-A1671 PolarHBondContact O-N 3.18Å
1669S44.1Very low42.9Very low102 Ų10279.1 Ų79.171%0.71344%0.437SS*.Hα-helixtrans-53.6-38.6-179.2137.70000112.2A1671 K1672 A1673S1669-A1671 VanDerWaalsContact C-N 3.3Å; S1669-A1671 PolarHBondContact O-N 3.39Å; S1669-K1672 PolarHBondContact O-N 2.87Å; S1669-A1673 PolarHBondContact O-N 2.88Å
1670A40.5Very low42.3Very low21 Ų2182.6 Ų82.617%0.17445%0.452CS..Hα-helixtrans-71.1-22.417800000113.2F1663 H1668 K1672 A1673 L1674F1663-A1670 HydrophobicContact CD1-CB 3.55Å; F1663-A1670 HydrophobicContact CE1-CB 3.59Å; H1668-A1670 VanDerWaalsContact ND1-CB 3.34Å; H1668-A1670 WeakPolarHBondContact ND1-CB 3.11Å; H1668-A1670 PolarHBondContact ND1-N 3.16Å; H1668-A1670 PolarHBondContact O-N 2.78Å; H1668-A1670 VanDerWaalsContact O-N 3.15Å; A1670-K1672 VanDerWaalsContact C-N 3.34Å; A1670-A1673 CarbonylContact O-C 3.49Å; A1670-A1673 PolarHBondContact O-N 2.97Å; A1670-L1674 VanDerWaalsContact O-CB 3.32Å; A1670-L1674 WeakPolarHBondContact O-CB 3.46Å; A1670-L1674 WeakPolarHBondContact O-CG 3.26Å; A1670-L1674 PolarHBondContact O-N 2.94Å
1671A38.2Very low42.1Very low12 Ų1283.6 Ų83.610%0.09947%0.465CS..Hα-helixtrans-67.8-36.1173.400000111.1F1663 N1665 H1668 S1669 A1673 L1674 S1675F1663-A1671 WeakPolarHBondContact O-CB 3.47Å; N1665-A1671 WeakPolarHBondContact O-CB 3.31Å; H1668-A1671 HydrophobicContact CB-CB 4.43Å; H1668-A1671 VanDerWaalsContact O-CB 3.28Å; H1668-A1671 WeakPolarHBondContact O-CB 3.22Å; H1668-A1671 PolarHBondContact O-N 3.18Å; S1669-A1671 VanDerWaalsContact C-N 3.3Å; S1669-A1671 PolarHBondContact O-N 3.39Å; A1671-A1673 VanDerWaalsContact C-N 3.32Å; A1671-L1674 PolarHBondContact O-N 2.9Å; A1671-S1675 WeakPolarHBondContact O-CB 3.17Å; A1671-S1675 PolarHBondContact O-N 2.89Å; A1671-S1675 PolarHBondContact O-OG 2.97Å
1672K42Very low41.8Very low161 Ų16185.1 Ų85.170%0.747%0.473SS*.Hα-helixtrans-64.9-35.3169.9-82.6-179177.6172.20112.3S1669 A1670 S1675 S1676S1669-K1672 PolarHBondContact O-N 2.87Å; A1670-K1672 VanDerWaalsContact C-N 3.34Å; K1672-S1675 WeakPolarHBondContact CA-OG 3.49Å; K1672-S1675 PolarHBondContact O-OG 2.96Å; K1672-S1676 PolarHBondContact O-N 2.79Å
1673A41.3Very low41.5Very low55 Ų5588 Ų8846%0.45549%0.488SS..Hα-helixtrans-71.5-46.5174.800000111.8S1669 A1670 A1671 S1676S1669-A1673 PolarHBondContact O-N 2.88Å; A1670-A1673 CarbonylContact O-C 3.49Å; A1670-A1673 PolarHBondContact O-N 2.97Å; A1671-A1673 VanDerWaalsContact C-N 3.32Å; A1673-S1676 WeakPolarHBondContact O-CB 3.34Å; A1673-S1676 PolarHBondContact O-N 3.38Å; A1673-S1676 PolarHBondContact O-OG 3.11Å
1674L37.9Very low41.4Very low61 Ų6191.7 Ų91.732%0.31950%0.499SS..Hα-helixtrans-65.8-43.5-179.9-78.8161.4000111.9F1663 A1670 A1671 S1676 T1677F1663-L1674 HydrophobicContact CB-CD1 3.92Å; F1663-L1674 HydrophobicContact CD1-CD1 3.83Å; F1663-L1674 HydrophobicContact CG-CD1 4.31Å; A1670-L1674 VanDerWaalsContact O-CB 3.32Å; A1670-L1674 WeakPolarHBondContact O-CB 3.46Å; A1670-L1674 WeakPolarHBondContact O-CG 3.26Å; A1670-L1674 PolarHBondContact O-N 2.94Å; A1671-L1674 PolarHBondContact O-N 2.9Å; L1674-S1676 PolarHBondContact O-N 2.81Å; L1674-T1677 PolarHBondContact O-N 2.93Å; L1674-T1677 PolarHBondContact O-OG1 2.93Å
1675S41.8Very low41.6Very low82 Ų8288.1 Ų88.157%0.57349%0.492SS*.Hα-helixtrans-63.3-22.2174.856.10000113.3A1671 K1672 T1677A1671-S1675 WeakPolarHBondContact O-CB 3.17Å; A1671-S1675 PolarHBondContact O-N 2.89Å; A1671-S1675 PolarHBondContact O-OG 2.97Å; K1672-S1675 WeakPolarHBondContact CA-OG 3.49Å; K1672-S1675 PolarHBondContact O-OG 2.96Å; S1675-T1677 VanDerWaalsContact C-N 3.3Å
1676S46.4Very low41.7Very low96 Ų9690.1 Ų90.167%0.67150%0.502SS*.THydrogen-bonded Turntrans-79.8-12.117379.10000113.6K1672 A1673 L1674K1672-S1676 PolarHBondContact O-N 2.79Å; A1673-S1676 WeakPolarHBondContact O-CB 3.34Å; A1673-S1676 PolarHBondContact O-N 3.38Å; A1673-S1676 PolarHBondContact O-OG 3.11Å; L1674-S1676 PolarHBondContact O-N 2.81Å
1677T40.7Very low41.8Very low59 Ų5988.7 Ų88.736%0.36249%0.486SS..SBendtrans-112.4132.8-175.759.70000111.1L1674 S1675 V1679L1674-T1677 PolarHBondContact O-N 2.93Å; L1674-T1677 PolarHBondContact O-OG1 2.93Å; S1675-T1677 VanDerWaalsContact C-N 3.3Å; T1677-V1679 PolarHBondContact O-N 3.14Å
1678K42.1Very low42Very low191 Ų19187 Ų8783%0.8347%0.474SS*.THydrogen-bonded Turntrans-65.621.8174.8-72.1-171.2173.8-174.10114.5Q1680K1678-Q1680 PolarHBondContact O-N 2.88Å
1679V40.4Very low42.7Very low57 Ų5790.4 Ų90.435%0.34549%0.49SS..Hα-helixtrans-69.6-24.9175.6175.30000110.9T1677 D1681 S1682 I1683T1677-V1679 PolarHBondContact O-N 3.14Å; V1679-D1681 PolarHBondContact O-N 2.9Å; V1679-S1682 PolarHBondContact O-N 3.47Å; V1679-S1682 PolarHBondContact O-OG 3.15Å; V1679-I1683 HydrophobicContact CG1-CD1 3.41Å; V1679-I1683 VanDerWaalsContact CG1-CD1 3.41Å; V1679-I1683 HydrophobicContact CG1-CG1 3.84Å; V1679-I1683 WeakPolarHBondContact O-CG1 3.37Å; V1679-I1683 PolarHBondContact O-N 2.99Å
1680Q34.7Very low43Very low107 Ų10789.4 Ų89.450%0.548%0.476SS..Hα-helixtrans-64-37.1-175-152.5151.7-1200113.2K1678 W1684K1678-Q1680 PolarHBondContact O-N 2.88Å; Q1680-W1684 WeakPolarHBondContact O-CB 3.47Å; Q1680-W1684 PolarHBondContact O-N 3.27Å
1681D42.6Very low43.5Very low127 Ų12793.5 Ų93.568%0.67949%0.49SS*.Hα-helixtrans-67.9-40.7179.1-70-22.2000112.2V1679 S1685V1679-D1681 PolarHBondContact O-N 2.9Å; D1681-S1685 PolarHBondContact O-N 3.42Å
1682S41.9Very low44.3Very low73 Ų7396.7 Ų96.751%0.5151%0.508SS..Hα-helixtrans-71.7-38.2178.943.60000113.2V1679 L1686V1679-S1682 PolarHBondContact O-N 3.47Å; V1679-S1682 PolarHBondContact O-OG 3.15Å; S1682-L1686 PolarHBondContact O-N 2.87Å
1683I42.4Very low45Very low69 Ų6994 Ų9435%0.35450%0.501SS..Hα-helixtrans-69.3-42.3175.8-66.9-177.5000109.5V1679 S1685 L1686 H1687V1679-I1683 HydrophobicContact CG1-CD1 3.41Å; V1679-I1683 VanDerWaalsContact CG1-CD1 3.41Å; V1679-I1683 HydrophobicContact CG1-CG1 3.84Å; V1679-I1683 WeakPolarHBondContact O-CG1 3.37Å; V1679-I1683 PolarHBondContact O-N 2.99Å; I1683-S1685 PolarHBondContact O-N 2.97Å; I1683-L1686 PolarHBondContact O-N 3.17Å; I1683-H1687 VanDerWaalsContact CG2-CD2 3.46Å; I1683-H1687 WeakPolarHBondContact CG2-CD2 3.21Å; I1683-H1687 WeakPolarHBondContact O-CB 3.26Å; I1683-H1687 PolarHBondContact O-CD2 2.84Å; I1683-H1687 VanDerWaalsContact O-CD2 3.25Å; I1683-H1687 PolarHBondContact O-N 3.3Å
1684W42.1Very low45.5Very low163 Ų16394.1 Ų94.162%0.61749%0.494SS*.Hα-helixtrans-64.2-41.3-180-168.7-105000112.5Q1680 L1686 H1687 Q1688Q1680-W1684 WeakPolarHBondContact O-CB 3.47Å; Q1680-W1684 PolarHBondContact O-N 3.27Å; W1684-L1686 VanDerWaalsContact C-N 3.33Å; W1684-L1686 PolarHBondContact O-N 2.98Å; W1684-H1687 PolarHBondContact O-N 2.78Å; W1684-Q1688 WeakPolarHBondContact O-CB 3.23Å; W1684-Q1688 PolarHBondContact O-N 3.22Å
1685S46.2Very low46.3Very low68 Ų6895.8 Ų95.848%0.47650%0.503SS..Hα-helixtrans-65.8-37.4177.21010000112.1D1681 I1683 H1689D1681-S1685 PolarHBondContact O-N 3.42Å; I1683-S1685 PolarHBondContact O-N 2.97Å; S1685-H1689 PolarHBondContact O-N 2.92Å
1686L45.3Very low47.3Very low113 Ų11395.2 Ų95.259%0.59250%0.496SS*.Hα-helixtrans-69.1-43.8177-161.880.7000110.9S1682 I1683 W1684 H1689 L1690S1682-L1686 PolarHBondContact O-N 2.87Å; I1683-L1686 PolarHBondContact O-N 3.17Å; W1684-L1686 VanDerWaalsContact C-N 3.33Å; W1684-L1686 PolarHBondContact O-N 2.98Å; L1686-H1689 PolarHBondContact O-N 3.36Å; L1686-L1690 WeakPolarHBondContact O-CB 3.29Å; L1686-L1690 PolarHBondContact O-N 3Å
1687H46.1Very low47.9Very low58 Ų5894 Ų9427%0.26949%0.488SS..Hα-helixtrans-61.3-42.7173.9-89.9-108.3000111.7I1683 W1684 L1690 F1691I1683-H1687 VanDerWaalsContact CG2-CD2 3.46Å; I1683-H1687 WeakPolarHBondContact CG2-CD2 3.21Å; I1683-H1687 WeakPolarHBondContact O-CB 3.26Å; I1683-H1687 PolarHBondContact O-CD2 2.84Å; I1683-H1687 VanDerWaalsContact O-CD2 3.25Å; I1683-H1687 PolarHBondContact O-N 3.3Å; W1684-H1687 PolarHBondContact O-N 2.78Å; H1687-L1690 PolarHBondContact O-N 3.03Å; H1687-F1691 WeakPolarHBondContact O-CB 3.3Å; H1687-F1691 PolarHBondContact O-N 2.62Å
1688Q47.6Very low48.7Very low95 Ų9596 Ų9644%0.44450%0.495SS..Hα-helixtrans-61.8-44.8174.5-94.9-170.9-26.800111.5W1684 F1691 T1692W1684-Q1688 WeakPolarHBondContact O-CB 3.23Å; W1684-Q1688 PolarHBondContact O-N 3.22Å; Q1688-F1691 PolarHBondContact O-N 3.2Å; Q1688-T1692 VanDerWaalsContact O-CB 3.29Å; Q1688-T1692 WeakPolarHBondContact O-CB 3.49Å; Q1688-T1692 PolarHBondContact O-N 3.5Å; Q1688-T1692 PolarHBondContact O-OG1 2.81Å
1689H53.6Low49.6Very low129 Ų12991.1 Ų91.160%0.59748%0.477SS*.Hα-helixtrans-60.5-48.6175.6-106.953.6000111.5S1685 L1686 F1691 T1692 D1693S1685-H1689 PolarHBondContact O-N 2.92Å; L1686-H1689 PolarHBondContact O-N 3.36Å; H1689-F1691 PolarHBondContact O-N 3Å; H1689-T1692 PolarHBondContact O-N 2.99Å; H1689-D1693 WeakPolarHBondContact O-CB 3.23Å; H1689-D1693 PolarHBondContact O-N 2.78Å
1690L49.6Very low50.6Low80 Ų8093.5 Ų93.542%0.41949%0.485SS..Hα-helixtrans-60.9-43.7177.9-109.1150.8000112.8L1686 H1687 D1693 L1694L1686-L1690 WeakPolarHBondContact O-CB 3.29Å; L1686-L1690 PolarHBondContact O-N 3Å; H1687-L1690 PolarHBondContact O-N 3.03Å; L1690-D1693 PolarHBondContact O-N 3.04Å; L1690-L1694 HydrophobicContact CD2-CD1 4.44Å; L1690-L1694 VanDerWaalsContact O-CB 3.31Å; L1690-L1694 WeakPolarHBondContact O-CB 3.23Å; L1690-L1694 PolarHBondContact O-N 2.89Å
1691F50.4Low51.8Low107 Ų10791.5 Ų91.547%0.46948%0.483SS..Hα-helixtrans-65.1-41.6175.7-105-79.3000111.7H1687 Q1688 H1689 L1695H1687-F1691 WeakPolarHBondContact O-CB 3.3Å; H1687-F1691 PolarHBondContact O-N 2.62Å; Q1688-F1691 PolarHBondContact O-N 3.2Å; H1689-F1691 PolarHBondContact O-N 3Å; F1691-L1695 HydrophobicContact CD1-CD1 4.48Å; F1691-L1695 VanDerWaalsContact O-CB 3.28Å; F1691-L1695 WeakPolarHBondContact O-CB 3.47Å; F1691-L1695 PolarHBondContact O-N 2.87Å
1692T55Low52.6Low80 Ų8088.8 Ų88.849%0.49147%0.468SS..Hα-helixtrans-65.4-45.9178.5-48.30000109.4Q1688 H1689 L1695 T1696Q1688-T1692 VanDerWaalsContact O-CB 3.29Å; Q1688-T1692 WeakPolarHBondContact O-CB 3.49Å; Q1688-T1692 PolarHBondContact O-N 3.5Å; Q1688-T1692 PolarHBondContact O-OG1 2.81Å; H1689-T1692 PolarHBondContact O-N 2.99Å; T1692-L1695 PolarHBondContact O-N 3.16Å; T1692-T1696 VanDerWaalsContact O-CB 3.28Å; T1692-T1696 WeakPolarHBondContact O-CB 3.21Å; T1692-T1696 PolarHBondContact O-N 3.28Å; T1692-T1696 PolarHBondContact O-OG1 2.78Å
1693D57.2Low53.6Low103 Ų10390.3 Ų90.355%0.55147%0.469SS*.Hα-helixtrans-63.6-44.4177.9-73.1-16.3000112H1689 L1690 T1696 S1697H1689-D1693 WeakPolarHBondContact O-CB 3.23Å; H1689-D1693 PolarHBondContact O-N 2.78Å; L1690-D1693 PolarHBondContact O-N 3.04Å; D1693-T1696 PolarHBondContact O-N 3.39Å; D1693-S1697 VanDerWaalsContact O-CB 3.28Å; D1693-S1697 WeakPolarHBondContact O-CB 3.1Å; D1693-S1697 PolarHBondContact O-N 3.41Å
1694L52.1Low54.6Low59 Ų5994.7 Ų94.731%0.30949%0.486SS..Hα-helixtrans-62.7-46.3175.9-88.6167.1000112.2L1690 T1696 S1697 L1698 I1817L1690-L1694 HydrophobicContact CD2-CD1 4.44Å; L1690-L1694 VanDerWaalsContact O-CB 3.31Å; L1690-L1694 WeakPolarHBondContact O-CB 3.23Å; L1690-L1694 PolarHBondContact O-N 2.89Å; L1694-T1696 VanDerWaalsContact C-N 3.34Å; L1694-S1697 PolarHBondContact O-N 2.9Å; L1694-L1698 WeakPolarHBondContact O-CB 3.48Å; L1694-L1698 PolarHBondContact O-N 3.5Å; L1694-I1817 HydrophobicContact CD1-CD1 4.13Å
1695L53.6Low55.6Low96 Ų9690.4 Ų90.450%0.50348%0.475SS..Hα-helixtrans-63.7-41.5175.9-88.5160.4000111.2F1691 T1692 L1698 I1699F1691-L1695 HydrophobicContact CD1-CD1 4.48Å; F1691-L1695 VanDerWaalsContact O-CB 3.28Å; F1691-L1695 WeakPolarHBondContact O-CB 3.47Å; F1691-L1695 PolarHBondContact O-N 2.87Å; T1692-L1695 PolarHBondContact O-N 3.16Å; L1695-L1698 PolarHBondContact O-N 2.8Å; L1695-I1699 VanDerWaalsContact O-CB 3.23Å; L1695-I1699 WeakPolarHBondContact O-CB 3.08Å; L1695-I1699 WeakPolarHBondContact O-CD1 3.47Å; L1695-I1699 WeakPolarHBondContact O-CG1 3.22Å; L1695-I1699 PolarHBondContact O-N 2.83Å
1696T62.6Low56.5Low70 Ų7092.8 Ų92.843%0.42948%0.483SS..Hα-helixtrans-65.4-41.9178.9-47.50000110.4T1692 D1693 L1694 I1699 E1700T1692-T1696 VanDerWaalsContact O-CB 3.28Å; T1692-T1696 WeakPolarHBondContact O-CB 3.21Å; T1692-T1696 PolarHBondContact O-N 3.28Å; T1692-T1696 PolarHBondContact O-OG1 2.78Å; D1693-T1696 PolarHBondContact O-N 3.39Å; L1694-T1696 VanDerWaalsContact C-N 3.34Å; T1696-I1699 PolarHBondContact O-N 2.88Å; T1696-E1700 WeakPolarHBondContact O-CB 3.33Å; T1696-E1700 PolarHBondContact O-N 3.02Å
1697S59.2Low57.4Low71 Ų7194.5 Ų94.550%0.49749%0.488SS..Hα-helixtrans-65.6-43.8175.6-176.30000112.5D1693 L1694 E1700 S1701D1693-S1697 VanDerWaalsContact O-CB 3.28Å; D1693-S1697 WeakPolarHBondContact O-CB 3.1Å; D1693-S1697 PolarHBondContact O-N 3.41Å; L1694-S1697 PolarHBondContact O-N 2.9Å; S1697-E1700 PolarHBondContact O-N 3.32Å; S1697-S1701 VanDerWaalsContact O-CB 3.32Å; S1697-S1701 WeakPolarHBondContact O-CB 3.33Å; S1697-S1701 PolarHBondContact O-N 3.25Å; S1697-S1701 PolarHBondContact O-OG 2.82Å
1698L57.7Low58.3Low99 Ų9994.8 Ų94.852%0.51849%0.488SS..Hα-helixtrans-63.4-45.6176-88.2162.8000110.8L1694 L1695 S1701 L1702L1694-L1698 WeakPolarHBondContact O-CB 3.48Å; L1694-L1698 PolarHBondContact O-N 3.5Å; L1695-L1698 PolarHBondContact O-N 2.8Å; L1698-S1701 PolarHBondContact O-N 3.12Å; L1698-S1701 PolarHBondContact O-OG 3.39Å; L1698-L1702 WeakPolarHBondContact O-CB 3.3Å; L1698-L1702 WeakPolarHBondContact O-CG 3.16Å; L1698-L1702 PolarHBondContact O-N 2.97Å
1699I61.1Low58.9Low89 Ų8992.3 Ų92.346%0.45648%0.479SS..Hα-helixtrans-65.4-42.3177.9-68.6168000110.8L1695 T1696 L1702 I1703L1695-I1699 VanDerWaalsContact O-CB 3.23Å; L1695-I1699 WeakPolarHBondContact O-CB 3.08Å; L1695-I1699 WeakPolarHBondContact O-CD1 3.47Å; L1695-I1699 WeakPolarHBondContact O-CG1 3.22Å; L1695-I1699 PolarHBondContact O-N 2.83Å; T1696-I1699 PolarHBondContact O-N 2.88Å; I1699-L1702 PolarHBondContact O-N 3.48Å; I1699-I1703 HydrophobicContact CG2-CD1 3.54Å; I1699-I1703 HydrophobicContact CG2-CG1 4.26Å; I1699-I1703 WeakPolarHBondContact O-CB 2.99Å; I1699-I1703 WeakPolarHBondContact O-CG1 3.46Å; I1699-I1703 PolarHBondContact O-N 2.83Å
1700E62.6Low59.3Low108 Ų10891.7 Ų91.751%0.50548%0.477SS..Hα-helixtrans-60.2-48.5172.1-91.4-169.3141.400111T1696 S1697 L1702 I1703 F1704T1696-E1700 WeakPolarHBondContact O-CB 3.33Å; T1696-E1700 PolarHBondContact O-N 3.02Å; S1697-E1700 PolarHBondContact O-N 3.32Å; E1700-L1702 VanDerWaalsContact C-N 3.25Å; E1700-L1702 PolarHBondContact O-N 2.62Å; E1700-I1703 PolarHBondContact O-N 3.04Å; E1700-I1703 VanDerWaalsContact O-N 3.14Å; E1700-F1704 HydrophobicContact CB-CD2 4.17Å; E1700-F1704 HydrophobicContact CB-CE2 4.27Å; E1700-F1704 HydrophobicContact CG-CE2 4.12Å; E1700-F1704 WeakPolarHBondContact O-CB 3.26Å; E1700-F1704 WeakPolarHBondContact O-CD2 3.41Å; E1700-F1704 PolarHBondContact O-N 2.86Å
1701S59.5Low59.7Low65 Ų6593.1 Ų93.146%0.45548%0.482SS..Hα-helixtrans-59.6-37.5180770000112.3S1697 L1698 N1705S1697-S1701 VanDerWaalsContact O-CB 3.32Å; S1697-S1701 WeakPolarHBondContact O-CB 3.33Å; S1697-S1701 PolarHBondContact O-N 3.25Å; S1697-S1701 PolarHBondContact O-OG 2.82Å; L1698-S1701 PolarHBondContact O-N 3.12Å; L1698-S1701 PolarHBondContact O-OG 3.39Å; S1701-N1705 WeakPolarHBondContact O-CB 3.44Å; S1701-N1705 PolarHBondContact O-N 3.47Å; S1701-N1705 VanDerWaalsContact O-N 3.09Å
1702L58.6Low60Low69 Ų6991.5 Ų91.536%0.36148%0.478SS..Hα-helixtrans-70.4-44.7175.1-77.4163.9000111.4L1698 I1699 E1700 F1704 N1705 F1708L1698-L1702 WeakPolarHBondContact O-CB 3.3Å; L1698-L1702 WeakPolarHBondContact O-CG 3.16Å; L1698-L1702 PolarHBondContact O-N 2.97Å; I1699-L1702 PolarHBondContact O-N 3.48Å; E1700-L1702 VanDerWaalsContact C-N 3.25Å; E1700-L1702 PolarHBondContact O-N 2.62Å; L1702-F1704 VanDerWaalsContact C-N 3.34Å; L1702-F1704 PolarHBondContact O-N 3.43Å; L1702-N1705 PolarHBondContact O-N 3.14Å; L1702-F1708 HydrophobicContact CB-CD1 3.89Å; L1702-F1708 HydrophobicContact CB-CE1 3.82Å; L1702-F1708 HydrophobicContact CB-CG 4.37Å; L1702-F1708 HydrophobicContact CB-CZ 4.28Å; L1702-F1708 HydrophobicContact CD2-CD1 4.16Å; L1702-F1708 HydrophobicContact CD2-CD2 3.63Å; L1702-F1708 HydrophobicContact CD2-CE1 4.2Å; L1702-F1708 HydrophobicContact CD2-CE2 3.71Å; L1702-F1708 HydrophobicContact CD2-CG 3.85Å; L1702-F1708 HydrophobicContact CD2-CZ 3.97Å; L1702-F1708 WeakPolarHBondContact O-CD1 3.45Å
1703I62.5Low60.1Low106 Ų10692.9 Ų92.954%0.54448%0.479SS..Hα-helixtrans-66.4-34.4178.9-69169.1000112I1699 E1700 V1709I1699-I1703 HydrophobicContact CG2-CD1 3.54Å; I1699-I1703 HydrophobicContact CG2-CG1 4.26Å; I1699-I1703 WeakPolarHBondContact O-CB 2.99Å; I1699-I1703 WeakPolarHBondContact O-CG1 3.46Å; I1699-I1703 PolarHBondContact O-N 2.83Å; E1700-I1703 PolarHBondContact O-N 3.04Å; E1700-I1703 VanDerWaalsContact O-N 3.14Å; I1703-V1709 WeakPolarHBondContact O-CG2 3.24Å
1704F65Low59.8Low160 Ų16096.3 Ų96.370%0.70249%0.489SS*.Hα-helixtrans-81.7-15.7176.7-75.9-67.4000113.2E1700 L1702 N1706E1700-F1704 HydrophobicContact CB-CD2 4.17Å; E1700-F1704 HydrophobicContact CB-CE2 4.27Å; E1700-F1704 HydrophobicContact CG-CE2 4.12Å; E1700-F1704 WeakPolarHBondContact O-CB 3.26Å; E1700-F1704 WeakPolarHBondContact O-CD2 3.41Å; E1700-F1704 PolarHBondContact O-N 2.86Å; L1702-F1704 VanDerWaalsContact C-N 3.34Å; L1702-F1704 PolarHBondContact O-N 3.43Å; F1704-N1706 PolarHBondContact O-N 2.86Å; F1704-N1706 VanDerWaalsContact O-N 3.11Å
1705N62.2Low59.8Low73 Ų7399.4 Ų99.439%0.3950%0.504SS..  trans-73105.8174.3-173.7-36.4000109.8S1701 L1702 E1707 F1708 V1709S1701-N1705 WeakPolarHBondContact O-CB 3.44Å; S1701-N1705 PolarHBondContact O-N 3.47Å; S1701-N1705 VanDerWaalsContact O-N 3.09Å; L1702-N1705 PolarHBondContact O-N 3.14Å; N1705-E1707 PolarHBondContact O-N 2.97Å; N1705-E1707 WeakPolarHBondContact OD1-CA 3.38Å; N1705-E1707 WeakPolarHBondContact OD1-CB 3.46Å; N1705-E1707 PolarHBondContact OD1-N 3.11Å; N1705-F1708 HydrophobicContact CB-CB 3.92Å; N1705-F1708 WeakPolarHBondContact O-CB 3.41Å; N1705-F1708 PolarHBondContact O-N 3.37Å; N1705-F1708 PolarHBondContact OD1-N 3.29Å; N1705-F1708 VanDerWaalsContact OD1-N 3.13Å; N1705-V1709 WeakPolarHBondContact O-CG2 3.32Å; N1705-V1709 PolarHBondContact O-N 2.69Å
1706N66Low59.5Low119 Ų11999.7 Ų99.764%0.63651%0.51SS*.Hα-helixtrans-59.7-31.1-178.8-123.5-6.4000112.8F1704 Q1710F1704-N1706 PolarHBondContact O-N 2.86Å; F1704-N1706 VanDerWaalsContact O-N 3.11Å; N1706-Q1710 WeakPolarHBondContact O-CB 3.17Å; N1706-Q1710 VanDerWaalsContact O-CG 3.28Å; N1706-Q1710 WeakPolarHBondContact O-CG 3.27Å; N1706-Q1710 PolarHBondContact O-N 2.73Å
1707E64.1Low58.4Low149 Ų149101.9 Ų101.970%0.69652%0.518SS*.Hα-helixtrans-69.1-43.9173-78.7-172.7148.500111.2N1705 V1709 Q1710 M1711N1705-E1707 PolarHBondContact O-N 2.97Å; N1705-E1707 WeakPolarHBondContact OD1-CA 3.38Å; N1705-E1707 WeakPolarHBondContact OD1-CB 3.46Å; N1705-E1707 PolarHBondContact OD1-N 3.11Å; E1707-V1709 PolarHBondContact O-N 3.3Å; E1707-Q1710 PolarHBondContact O-N 3.3Å; E1707-M1711 VanDerWaalsContact O-CB 3.25Å; E1707-M1711 WeakPolarHBondContact O-CB 3.44Å; E1707-M1711 PolarHBondContact O-N 2.9Å
1708F63.5Low57.6Low64 Ų64102.8 Ų102.828%0.28152%0.522SS..Hα-helixtrans-62.2-43.5175.6-177-101000111.5L1702 N1705 M1711 I1712L1702-F1708 HydrophobicContact CB-CD1 3.89Å; L1702-F1708 HydrophobicContact CB-CE1 3.82Å; L1702-F1708 HydrophobicContact CB-CG 4.37Å; L1702-F1708 HydrophobicContact CB-CZ 4.28Å; L1702-F1708 HydrophobicContact CD2-CD1 4.16Å; L1702-F1708 HydrophobicContact CD2-CD2 3.63Å; L1702-F1708 HydrophobicContact CD2-CE1 4.2Å; L1702-F1708 HydrophobicContact CD2-CE2 3.71Å; L1702-F1708 HydrophobicContact CD2-CG 3.85Å; L1702-F1708 HydrophobicContact CD2-CZ 3.97Å; L1702-F1708 WeakPolarHBondContact O-CD1 3.45Å; N1705-F1708 HydrophobicContact CB-CB 3.92Å; N1705-F1708 WeakPolarHBondContact O-CB 3.41Å; N1705-F1708 PolarHBondContact O-N 3.37Å; N1705-F1708 PolarHBondContact OD1-N 3.29Å; N1705-F1708 VanDerWaalsContact OD1-N 3.13Å; F1708-M1711 PolarHBondContact O-N 3.37Å; F1708-I1712 HydrophobicContact CD1-CD1 4.18Å; F1708-I1712 HydrophobicContact CD1-CG1 4.38Å; F1708-I1712 HydrophobicContact CE1-CD1 3.4Å; F1708-I1712 VanDerWaalsContact CE1-CD1 3.4Å; F1708-I1712 HydrophobicContact CE1-CG1 4.04Å; F1708-I1712 HydrophobicContact CE2-CD1 4.19Å; F1708-I1712 HydrophobicContact CE2-CG1 4.35Å; F1708-I1712 HydrophobicContact CZ-CD1 3.43Å; F1708-I1712 VanDerWaalsContact CZ-CD1 3.43Å; F1708-I1712 HydrophobicContact CZ-CG1 4.04Å; F1708-I1712 WeakPolarHBondContact O-CB 3.31Å; F1708-I1712 WeakPolarHBondContact O-CG1 3.03Å; F1708-I1712 PolarHBondContact O-N 3.47Å
1709V62Low56.8Low43 Ų43104.4 Ų104.426%0.26154%0.539SS..Hα-helixtrans-63.2-41.5175.1176.30000111.5I1703 N1705 E1707 Q1713I1703-V1709 WeakPolarHBondContact O-CG2 3.24Å; N1705-V1709 WeakPolarHBondContact O-CG2 3.32Å; N1705-V1709 PolarHBondContact O-N 2.69Å; E1707-V1709 PolarHBondContact O-N 3.3Å; V1709-Q1713 HydrophobicContact CG1-CG 4.45Å; V1709-Q1713 WeakPolarHBondContact O-CB 3.28Å; V1709-Q1713 VanDerWaalsContact O-CG 3.28Å; V1709-Q1713 WeakPolarHBondContact O-CG 3.43Å; V1709-Q1713 PolarHBondContact O-N 2.79Å
1710Q60.6Low55.7Low115 Ų115108.7 Ų108.754%0.53756%0.557SS.*Hα-helixtrans-67.4-37.2175.2-79.6-175.214.700112.6N1706 E1707 Q1713 K1714N1706-Q1710 WeakPolarHBondContact O-CB 3.17Å; N1706-Q1710 VanDerWaalsContact O-CG 3.28Å; N1706-Q1710 WeakPolarHBondContact O-CG 3.27Å; N1706-Q1710 PolarHBondContact O-N 2.73Å; E1707-Q1710 PolarHBondContact O-N 3.3Å; Q1710-Q1713 PolarHBondContact O-N 2.98Å; Q1710-K1714 WeakPolarHBondContact O-CB 3.1Å; Q1710-K1714 PolarHBondContact O-N 3.34Å
1711M59.3Low54.4Low110 Ų110110.9 Ų110.954%0.54257%0.572SS.*Hα-helixtrans-67.4-44.8177.6-162.5170.179.400110.2E1707 F1708 K1714 I1715E1707-M1711 VanDerWaalsContact O-CB 3.25Å; E1707-M1711 WeakPolarHBondContact O-CB 3.44Å; E1707-M1711 PolarHBondContact O-N 2.9Å; F1708-M1711 PolarHBondContact O-N 3.37Å; M1711-K1714 PolarHBondContact O-N 2.65Å; M1711-I1715 HydrophobicContact CG-CD1 4.04Å; M1711-I1715 WeakPolarHBondContact O-CB 3.45Å; M1711-I1715 WeakPolarHBondContact O-CD1 3.35Å; M1711-I1715 VanDerWaalsContact O-CG1 3.23Å; M1711-I1715 WeakPolarHBondContact O-CG1 3.2Å; M1711-I1715 PolarHBondContact O-N 3.15Å
1712I56.5Low53Low73 Ų73119.5 Ų119.537%0.37460%0.595SS.*Hα-helixtrans-62.7-42.7170.3-72.2-156000111.1F1708 K1714 I1715 V1716F1708-I1712 HydrophobicContact CD1-CD1 4.18Å; F1708-I1712 HydrophobicContact CD1-CG1 4.38Å; F1708-I1712 HydrophobicContact CE1-CD1 3.4Å; F1708-I1712 VanDerWaalsContact CE1-CD1 3.4Å; F1708-I1712 HydrophobicContact CE1-CG1 4.04Å; F1708-I1712 HydrophobicContact CE2-CD1 4.19Å; F1708-I1712 HydrophobicContact CE2-CG1 4.35Å; F1708-I1712 HydrophobicContact CZ-CD1 3.43Å; F1708-I1712 VanDerWaalsContact CZ-CD1 3.43Å; F1708-I1712 HydrophobicContact CZ-CG1 4.04Å; F1708-I1712 WeakPolarHBondContact O-CB 3.31Å; F1708-I1712 WeakPolarHBondContact O-CG1 3.03Å; F1708-I1712 PolarHBondContact O-N 3.47Å; I1712-K1714 VanDerWaalsContact C-N 3.29Å; I1712-K1714 PolarHBondContact O-N 3.37Å; I1712-I1715 PolarHBondContact O-N 2.77Å; I1712-V1716 HydrophobicContact CG2-CB 4.45Å; I1712-V1716 HydrophobicContact CG2-CG2 3.68Å; I1712-V1716 WeakPolarHBondContact O-CA 3.46Å; I1712-V1716 WeakPolarHBondContact O-CB 3.27Å; I1712-V1716 WeakPolarHBondContact O-CG2 3.37Å; I1712-V1716 PolarHBondContact O-N 3.42Å
1713Q55.8Low51.6Low110 Ų110123.5 Ų123.551%0.51462%0.615SS.*Hα-helixtrans-62.9-35.3176.9-80.8177.8-6.100112.5V1709 Q1710 I1717V1709-Q1713 HydrophobicContact CG1-CG 4.45Å; V1709-Q1713 WeakPolarHBondContact O-CB 3.28Å; V1709-Q1713 VanDerWaalsContact O-CG 3.28Å; V1709-Q1713 WeakPolarHBondContact O-CG 3.43Å; V1709-Q1713 PolarHBondContact O-N 2.79Å; Q1710-Q1713 PolarHBondContact O-N 2.98Å; Q1713-I1717 WeakPolarHBondContact O-CB 3.46Å; Q1713-I1717 WeakPolarHBondContact O-CG1 3.35Å; Q1713-I1717 PolarHBondContact O-N 2.83Å
1714K52Low50.1Low174 Ų174125.9 Ų125.976%0.75763%0.628SS**Hα-helixtrans-71.2-38.7174.2-87.5-176.7174.21780113.1Q1710 M1711 I1712Q1710-K1714 WeakPolarHBondContact O-CB 3.1Å; Q1710-K1714 PolarHBondContact O-N 3.34Å; M1711-K1714 PolarHBondContact O-N 2.65Å; I1712-K1714 VanDerWaalsContact C-N 3.29Å; I1712-K1714 PolarHBondContact O-N 3.37Å
1715I51.7Low48.4Very low124 Ų124123.3 Ų123.364%0.63663%0.626SS**Hα-helixtrans-75.5-39.4179.5-66.1165000110.7M1711 I1712M1711-I1715 HydrophobicContact CG-CD1 4.04Å; M1711-I1715 WeakPolarHBondContact O-CB 3.45Å; M1711-I1715 WeakPolarHBondContact O-CD1 3.35Å; M1711-I1715 VanDerWaalsContact O-CG1 3.23Å; M1711-I1715 WeakPolarHBondContact O-CG1 3.2Å; M1711-I1715 PolarHBondContact O-N 3.15Å; I1712-I1715 PolarHBondContact O-N 2.77Å
1716V47Very low46.7Very low102 Ų102125.2 Ų125.262%0.61865%0.645SS**Hα-helixtrans-84.2-22.1-175.4177.40000112.2I1712 P1718I1712-V1716 HydrophobicContact CG2-CB 4.45Å; I1712-V1716 HydrophobicContact CG2-CG2 3.68Å; I1712-V1716 WeakPolarHBondContact O-CA 3.46Å; I1712-V1716 WeakPolarHBondContact O-CB 3.27Å; I1712-V1716 WeakPolarHBondContact O-CG2 3.37Å; I1712-V1716 PolarHBondContact O-N 3.42Å; V1716-P1718 VanDerWaalsContact C-CD 3.49Å; V1716-P1718 WeakPolarHBondContact O-CD 3.2Å
1717I39Very low45Very low116 Ų116125 Ų12560%0.59565%0.65SS**SBendtrans-113.885.5176-47.8174.8000109.4Q1713Q1713-I1717 WeakPolarHBondContact O-CB 3.46Å; Q1713-I1717 WeakPolarHBondContact O-CG1 3.35Å; Q1713-I1717 PolarHBondContact O-N 2.83Å
1718P43.9Very low43.3Very low91 Ų91125.3 Ų125.359%0.59166%0.656SS**  trans-62.4144.9170.924-30.9000110.5V1716 E1720V1716-P1718 VanDerWaalsContact C-CD 3.49Å; V1716-P1718 WeakPolarHBondContact O-CD 3.2Å; P1718-E1720 VanDerWaalsContact C-N 3.29Å; P1718-E1720 PolarHBondContact O-N 3.01Å
1719P40.2Very low41.6Very low133 Ų133129.5 Ų129.586%0.86468%0.68SS**THydrogen-bonded Turntrans-73.63.2-158-18.132.4000117.8
1720E38.7Very low39.8Very low179 Ų179133.9 Ų133.984%0.83671%0.707SS**THydrogen-bonded Turntrans-114.15.8-164.9-65-158.3157.300117.5P1718P1718-E1720 VanDerWaalsContact C-N 3.29Å; P1718-E1720 PolarHBondContact O-N 3.01Å
1721N35Very low38.3Very low154 Ų154134.6 Ų134.682%0.82472%0.719SS**  trans-104.666.2170.5-78.8-27.8000112.6I1723N1721-I1723 PolarHBondContact O-N 3.09Å
1722R28.9Very low36.8Very low246 Ų246134.7 Ų134.793%0.92873%0.728SS**  trans-73.2104148-96-173.6-179.6172.12.1107.3D1724R1722-D1724 PolarHBondContact O-N 3.32Å; R1722-D1724 VanDerWaalsContact O-N 3.11Å
1723I30.9Very low35.3Very low153 Ų153139.1 Ų139.179%0.78575%0.752SS**  trans-55104.4177.3-58.9156.6000109.6N1721N1721-I1723 PolarHBondContact O-N 3.09Å
1724D31Very low33.9Very low155 Ų155140.7 Ų140.783%0.82976%0.763SS**  trans-104.294.2154.6-97.2-17.1000108.8R1722R1722-D1724 PolarHBondContact O-N 3.32Å; R1722-D1724 VanDerWaalsContact O-N 3.11Å
1725T28.1Very low32.7Very low106 Ų106139.5 Ų139.565%0.6577%0.766SS**  trans28.9120.9143.8540000119.8
1726S27.3Very low31.5Very low114 Ų114140 Ų14080%0.79777%0.77SS**  trans107.8134.3133.277.60000117.6
1727P29Very low30.5Very low113 Ų113143.6 Ų143.673%0.73478%0.779SS**  trans-90.8153.6-165.637.6-32.3000110.5
1728L28.6Very low30Very low157 Ų157145.9 Ų145.982%0.82279%0.791SS**  trans176134.2139.1-93.1155.6000112
1729L28.4Very low29.1Very low152 Ų152150 Ų15080%0.79681%0.805SS**  trans74.394.1146.8-71.5157.2000119.6
1730V24.8Very low28.4Very low134 Ų134152.4 Ų152.481%0.81281%0.807SS**  trans-64.6120.9157.6176.50000110.7
1731T27.7Very low27.9Very low131 Ų131151.1 Ų151.180%0.80481%0.806SS**  trans-143.1125.5148.337.30000109.2
1732P27.9Very low27.6Very low112 Ų112150.5 Ų150.573%0.72780%0.802SS**  trans-91.8127-173.833.9-29.9000111
1733L25.2Very low27.7Very low165 Ų165146.1 Ų146.186%0.86480%0.797SS**  trans-161.9138164.6-105.3132.9000112.2
1734N27.4Very low27.8Very low143 Ų143146.3 Ų146.377%0.76580%0.8SS**  trans76.289.7163.5-94.69.1000119.5N1736N1734-N1736 PolarHBondContact O-N 3.14Å
1735N25.4Very low28Very low150 Ų150146.9 Ų146.980%0.80280%0.803SS**  trans-51.3118.6133.9-66.5-14.7000109.5
1736N27.7Very low28.3Very low135 Ų135149.5 Ų149.572%0.72281%0.813SS**  trans-178.8127136.3-89.7-5.9000110.3N1734N1734-N1736 PolarHBondContact O-N 3.14Å
1737E26.4Very low28.6Very low176 Ų176151.3 Ų151.382%0.82281%0.814SS**  trans68.480.1147.7-61.1175-179.500118.4
1738I27Very low29Very low164 Ų164151.1 Ų151.184%0.84181%0.813SS**  trans-134.7119134.1-58.4-177.3000108.9M1740I1738-M1740 PolarHBondContact O-N 3.45Å
1739M25.8Very low29.6Very low179 Ų179148 Ų14888%0.88280%0.8SS**  trans-20.8115164.7-55.4-66.2-147.600114.6D1741M1739-D1741 PolarHBondContact O-N 2.98Å
1740M26Very low30.1Very low182 Ų182143.4 Ų143.490%0.89778%0.779SS**  trans-79.3105.1155-62.1-145.773.500106.5I1738I1738-M1740 PolarHBondContact O-N 3.45Å
1741D27.3Very low30.8Very low153 Ų153143 Ų14382%0.81877%0.771SS**  trans-88.7124.3160.4-148.45.3000105.5M1739 N1743M1739-D1741 PolarHBondContact O-N 2.98Å; D1741-N1743 PolarHBondContact O-N 2.94Å
1742D28.7Very low31.4Very low140 Ų140146.2 Ų146.275%0.74977%0.769SS**SBendtrans-52.5120.5174.2-64.7-47.8000109.4
1743N32.2Very low31.9Very low154 Ų154146.1 Ų146.182%0.82476%0.761SS**  trans16581147.6-81.7-33.8000108.8D1741D1741-N1743 PolarHBondContact O-N 2.94Å
1744D31.6Very low32.6Very low157 Ų157145 Ų14584%0.8475%0.752SS**  trans-169.5105.4134-90.7-23.4000105.6D1746D1744-D1746 PolarHBondContact O-N 2.92Å
1745D35Very low32.8Very low168 Ų168144.5 Ų144.590%0.89875%0.748SS**  trans-58.8102.2170.7-77.1-48.5000108D1747D1745-D1747 PolarHBondContact O-N 3.4Å
1746D35Very low33Very low161 Ų161146.3 Ų146.386%0.86175%0.749SS**  trans-62.597.9168.9-87.2-35.6000108.3D1744D1744-D1746 PolarHBondContact O-N 2.92Å
1747D33.3Very low33.2Very low151 Ų151144.5 Ų144.581%0.80775%0.746SS**PPolyproline II helixtrans-51.2129.5174.9-112-23.8000110.1D1745 V1749D1745-D1747 PolarHBondContact O-N 3.4Å; D1747-V1749 PolarHBondContact O-N 3.08Å
1748P38.5Very low33.3Very low110 Ų110142.9 Ų142.971%0.71474%0.743SS**PPolyproline II helixtrans-61.8126.4-175.323.6-32.4000110.9P1750P1748-P1750 WeakPolarHBondContact O-CD 3.28Å; P1748-P1750 VanDerWaalsContact O-N 3.17Å
1749V41Very low33.4Very low90 Ų90143.1 Ų143.155%0.54574%0.74SS.*PPolyproline II helixtrans-53.2121.6175.4-179.40000109.5D1747 I1753D1747-V1749 PolarHBondContact O-N 3.08Å; V1749-I1753 HydrophobicContact CG1-CB 4.26Å; V1749-I1753 HydrophobicContact CG1-CD1 4.08Å; V1749-I1753 HydrophobicContact CG1-CG2 4.42Å
1750P37.8Very low33.3Very low57 Ų57140.5 Ų140.537%0.3774%0.738SS.*PPolyproline II helixtrans-55.1137.6-172.9-27.632.6000113.9P1748 W1752 I1753P1748-P1750 WeakPolarHBondContact O-CD 3.28Å; P1748-P1750 VanDerWaalsContact O-N 3.17Å; P1750-W1752 HydrophobicContact CB-CD2 3.88Å; P1750-W1752 HydrophobicContact CB-CE3 4.05Å; P1750-W1752 HydrophobicContact CB-CH2 3.76Å; P1750-W1752 HydrophobicContact CB-CZ2 3.56Å; P1750-W1752 HydrophobicContact CB-CZ3 4Å; P1750-W1752 HydrophobicContact CG-CH2 4.24Å; P1750-W1752 HydrophobicContact CG-CZ2 3.95Å; P1750-W1752 PolarHBondContact O-N 2.88Å; P1750-I1753 PolarHBondContact O-N 2.95Å
1751L39.1Very low33.2Very low124 Ų124142 Ų14265%0.64974%0.736SS**Hα-helixtrans-49.8-31.3-173.7-164.377.8000114.1I1753 Q1754L1751-I1753 VanDerWaalsContact C-N 3.29Å; L1751-I1753 PolarHBondContact O-N 3.43Å; L1751-Q1754 WeakPolarHBondContact O-CB 3.32Å; L1751-Q1754 PolarHBondContact O-N 2.85Å
1752W41.1Very low33Very low200 Ų200144.7 Ų144.776%0.75874%0.74SS**Hα-helixtrans-69.9-20.2-178.460.473.8000114.2P1750 Q1754P1750-W1752 HydrophobicContact CB-CD2 3.88Å; P1750-W1752 HydrophobicContact CB-CE3 4.05Å; P1750-W1752 HydrophobicContact CB-CH2 3.76Å; P1750-W1752 HydrophobicContact CB-CZ2 3.56Å; P1750-W1752 HydrophobicContact CB-CZ3 4Å; P1750-W1752 HydrophobicContact CG-CH2 4.24Å; P1750-W1752 HydrophobicContact CG-CZ2 3.95Å; P1750-W1752 PolarHBondContact O-N 2.88Å; W1752-Q1754 VanDerWaalsContact C-N 3.28Å
1753I39.1Very low32.9Very low109 Ų109143 Ų14356%0.55974%0.739SS**Hα-helixtrans-73.8-24.7171.7-64.9178.2000110.9V1749 P1750 L1751 I1755V1749-I1753 HydrophobicContact CG1-CB 4.26Å; V1749-I1753 HydrophobicContact CG1-CD1 4.08Å; V1749-I1753 HydrophobicContact CG1-CG2 4.42Å; P1750-I1753 PolarHBondContact O-N 2.95Å; L1751-I1753 VanDerWaalsContact C-N 3.29Å; L1751-I1753 PolarHBondContact O-N 3.43Å; I1753-I1755 PolarHBondContact O-N 3.43Å
1754Q39.9Very low32.4Very low141 Ų141143.5 Ų143.566%0.65974%0.742SS**Hα-helixtrans-75.8-14.5178.8-58.2-179.1100112.5L1751 W1752 K1756L1751-Q1754 WeakPolarHBondContact O-CB 3.32Å; L1751-Q1754 PolarHBondContact O-N 2.85Å; W1752-Q1754 VanDerWaalsContact C-N 3.28Å; Q1754-K1756 VanDerWaalsContact C-N 3.34Å; Q1754-K1756 PolarHBondContact O-N 3.13Å
1755I31.6Very low32.1Very low133 Ų133144.6 Ų144.668%0.68274%0.742SS**  trans-95.359.2-179.4-45.6174.9000109.8I1753I1753-I1755 PolarHBondContact O-N 3.43Å
1756K29Very low31.5Very low189 Ų189144.7 Ų144.782%0.82274%0.741SS**  trans-95.497.5163.7-103.3-176.7177.9176.70109.8Q1754Q1754-K1756 VanDerWaalsContact C-N 3.34Å; Q1754-K1756 PolarHBondContact O-N 3.13Å
1757S31.3Very low30.9Very low97 Ų97142.1 Ų142.168%0.67874%0.736SS**  trans16.8112.9148.260.10000118.1
1758D28.5Very low30.5Very low141 Ų141141.5 Ų141.575%0.75474%0.738SS**  trans-152.9123.7136.1-96.4-27.4000111.3
1759H29.1Very low29.9Very low169 Ų169143.8 Ų143.878%0.78274%0.744SS**  trans62.785.8152.5-57.1-32.6000120.2
1760C24.3Very low29.3Very low124 Ų124150.3 Ų150.384%0.83876%0.761SS**  trans-151.374.1145.9-108.60000112.9
1761Y24.2Very low28.7Very low215 Ų215155.3 Ų155.384%0.84378%0.784SS**  trans-140.395.6156.1-80.1-78.3000108.9
1762K23.7Very low28.1Very low208 Ų208156.3 Ų156.390%0.90479%0.787SS**  trans-13586.1155.6-80.9-169177.7177.80108
1763S25.4Very low27.6Very low104 Ų104154.1 Ų154.173%0.72779%0.79SS**  trans-69.3117.1169.545.50000109.7
1764N22.9Very low27.2Very low166 Ų166156.3 Ų156.389%0.88880%0.803SS**  trans-88.2114169.7-96.7-10000109.7
1765E23.7Very low26.9Very low179 Ų179153.8 Ų153.884%0.83679%0.793SS**  trans-66.7129.8169.7-61.4172.9152.100110.6
1766L22.4Very low27Very low170 Ų170153.8 Ų153.889%0.8980%0.795SS**  trans-134.295.7158.2-93.6164.7000109.5
1767S23.5Very low27.2Very low108 Ų108153.5 Ų153.576%0.75579%0.794SS**  trans-61.2128.2166.544.60000112.6
1768T25.5Very low27.3Very low137 Ų137152 Ų15284%0.8479%0.787SS**  trans-146.1124.8150.629.90000111.7
1769N25.7Very low27.4Very low159 Ų159148.7 Ų148.785%0.8577%0.772SS**  trans-69.8132.9175.6-78.1-33000111.8
1770Y26.6Very low27.7Very low226 Ų226146.5 Ų146.589%0.88677%0.766SS**  trans-143.8147.5148.1-88.4-73.1000112
1771N26.9Very low28.2Very low163 Ų163148.1 Ų148.187%0.87276%0.761SS**  trans-63.3144-159.4-97-38.9000116.6
1772M25.8Very low28.6Very low144 Ų144143.1 Ų143.171%0.70975%0.749SS**  trans-96.178.7-173.2-67.7-97.1-79.300112.3I1775M1772-I1775 HydrophobicContact CB-CD1 4.22Å; M1772-I1775 HydrophobicContact CE-CD1 3.98Å; M1772-I1775 HydrophobicContact CG-CD1 4.36Å; M1772-I1775 HydrophobicContact SD-CD1 3.28Å; M1772-I1775 WeakPolarHBondContact SD-CD1 3.46Å
1773N30.3Very low28.9Very low154 Ų154137.4 Ų137.482%0.82473%0.728SS**  trans-138.8-0.4172.4-92.3-22.3000117.4
1774D31.3Very low29.3Very low155 Ų155140.5 Ų140.583%0.82973%0.731SS**SBendtrans-102.612.9173.6-76.4-35000114.1N1776D1774-N1776 VanDerWaalsContact C-N 3.28Å; D1774-N1776 PolarHBondContact O-N 2.77Å
1775I33.5Very low29.6Very low88 Ų88143.2 Ų143.245%0.45173%0.729SS.*Hα-helixtrans-73.6-13.8-173.9-69.1169.4000113.5M1772 T1779M1772-I1775 HydrophobicContact CB-CD1 4.22Å; M1772-I1775 HydrophobicContact CE-CD1 3.98Å; M1772-I1775 HydrophobicContact CG-CD1 4.36Å; M1772-I1775 HydrophobicContact SD-CD1 3.28Å; M1772-I1775 WeakPolarHBondContact SD-CD1 3.46Å; I1775-T1779 PolarHBondContact O-OG1 3.15Å; I1775-T1779 VanDerWaalsContact O-OG1 3.13Å
1776N33.8Very low29.8Very low134 Ų134139 Ų13972%0.71771%0.711SS**Hα-helixtrans-94.92.2-173.2-71-10000115.4D1774D1774-N1776 VanDerWaalsContact C-N 3.28Å; D1774-N1776 PolarHBondContact O-N 2.77Å
1777K33.2Very low30.3Very low182 Ų182135.6 Ų135.679%0.79170%0.699SS**Hα-helixtrans-112.5-22.9174.7-77.3-174.4177.6178.60114.7
1778A32.9Very low30.6Very low66 Ų66138.5 Ų138.555%0.54570%0.701SS.*Hα-helixtrans-79.2-24.3177.300000112.9D1780 Q1781 L1782A1778-D1780 PolarHBondContact O-N 3.39Å; A1778-Q1781 PolarHBondContact O-N 3.4Å; A1778-L1782 PolarHBondContact O-N 3.23Å
1779T31.7Very low30.9Very low71 Ų71139.2 Ų139.244%0.43670%0.698SS.*Hα-helixtrans-70.4-28.6-178.434.60000113.6I1775 N1783I1775-T1779 PolarHBondContact O-OG1 3.15Å; I1775-T1779 VanDerWaalsContact O-OG1 3.13Å; T1779-N1783 PolarHBondContact O-N 3.12Å
1780D33.9Very low31.3Very low123 Ų123137.3 Ų137.366%0.65869%0.692SS**Hα-helixtrans-78.2-29177.2-77-18.1000113.1A1778A1778-D1780 PolarHBondContact O-N 3.39Å
1781Q35.8Very low31.4Very low158 Ų158133.7 Ų133.774%0.73868%0.68SS**Hα-helixtrans-80.8-27.8176.5-71.1-172.5-10.900112.7A1778 H1784A1778-Q1781 PolarHBondContact O-N 3.4Å; Q1781-H1784 PolarHBondContact O-N 2.96Å
1782L31.9Very low31.5Very low111 Ų111133.5 Ų133.558%0.58167%0.674SS**Hα-helixtrans-75.2-27.2178.7-143.785.8000113.1A1778 H1784 W1785A1778-L1782 PolarHBondContact O-N 3.23Å; L1782-H1784 PolarHBondContact O-N 3.47Å; L1782-H1784 VanDerWaalsContact O-N 3.07Å; L1782-W1785 PolarHBondContact O-N 3.16Å; L1782-W1785 VanDerWaalsContact O-N 3.13Å
1783N30.5Very low31.7Very low87 Ų87135.3 Ų135.347%0.46568%0.678SS.*THydrogen-bonded Turntrans-65.6-8.5175.9-93-36.6000114.1T1779T1779-N1783 PolarHBondContact O-N 3.12Å
1784H33.1Very low31.6Very low170 Ų170135.5 Ų135.579%0.78768%0.678SS**THydrogen-bonded Turntrans-99.2-12.7175.7-124.268.8000114.1Q1781 L1782Q1781-H1784 PolarHBondContact O-N 2.96Å; L1782-H1784 PolarHBondContact O-N 3.47Å; L1782-H1784 VanDerWaalsContact O-N 3.07Å
1785W30.5Very low31.7Very low222 Ų222135.2 Ų135.284%0.84168%0.676SS**THydrogen-bonded Turntrans-109.51.7-175.2-77.469.4000113.9L1782 P1787L1782-W1785 PolarHBondContact O-N 3.16Å; L1782-W1785 VanDerWaalsContact O-N 3.13Å; W1785-P1787 WeakPolarHBondContact O-CD 3.33Å
1786I27.5Very low31.7Very low91 Ų91140.4 Ų140.447%0.46770%0.696SS.*SBendtrans-98.1108.5166.8-58.8174.2000106.8V1790I1786-V1790 HydrophobicContact CG2-CB 4.28Å; I1786-V1790 HydrophobicContact CG2-CG2 4.15Å
1787P32.7Very low31.5Very low98 Ų98142.7 Ų142.764%0.63670%0.702SS**  trans-55.8143.3179.118.7-28.1000110.9W1785 I1789W1785-P1787 WeakPolarHBondContact O-CD 3.33Å; P1787-I1789 PolarHBondContact O-N 3.31Å
1788E28.8Very low31.5Very low169 Ų169140.4 Ų140.479%0.7970%0.698SS**G310 helixtrans-52.8-4.9-166.9-78.6-180138.100117V1790 K1791E1788-V1790 PolarHBondContact O-N 3.12Å; E1788-K1791 PolarHBondContact O-N 2.97Å; E1788-K1791 VanDerWaalsContact O-N 3.16Å
1789I33.5Very low31.3Very low153 Ų153144.9 Ų144.979%0.78571%0.71SS**G310 helixtrans-64.6-23.3-180-64.4172.5000112.4P1787P1787-I1789 PolarHBondContact O-N 3.31Å
1790V32.8Very low31.4Very low118 Ų118151.6 Ų151.672%0.71573%0.733SS**G310 helixtrans-89.7-10.1178.1-171.20000113.3I1786 E1788I1786-V1790 HydrophobicContact CG2-CB 4.28Å; I1786-V1790 HydrophobicContact CG2-CG2 4.15Å; E1788-V1790 PolarHBondContact O-N 3.12Å
1791K28.8Very low31.6Very low150 Ų150150 Ų15065%0.65273%0.732SS**THydrogen-bonded Turntrans-90.4-8.2178.8-84.4179.9178.61670114.3E1788E1788-K1791 PolarHBondContact O-N 2.97Å; E1788-K1791 VanDerWaalsContact O-N 3.16Å
1792E29.6Very low31.5Very low159 Ų159147.7 Ų147.774%0.74372%0.723SS**SBendtrans-89.6113.3173.2-72.1-159.415400112.2
1793K30.5Very low32Very low182 Ų182149.7 Ų149.779%0.79173%0.729SS**  trans92.772.8159.2-58.4178.9-179.5176.60117.9
1794I28.6Very low32.5Very low159 Ų159153.6 Ų153.682%0.81575%0.745SS**  trans-788.6143.5-73.7171.6000112K1796I1794-K1796 PolarHBondContact O-N 3.46Å
1795N32.9Very low32.8Very low148 Ų148153.5 Ų153.579%0.79174%0.744SS**  trans-78.191.8175.9-85.4-9000111.4Q1797N1795-Q1797 PolarHBondContact O-N 2.85Å
1796K32.7Very low33.5Very low198 Ų198146.2 Ų146.286%0.86172%0.724SS**THydrogen-bonded Turntrans-56.930.2177.2-81.8-175.4170.3-179.50116.6I1794I1794-K1796 PolarHBondContact O-N 3.46Å
1797Q30.7Very low34.3Very low181 Ų181144.3 Ų144.385%0.84672%0.723SS**THydrogen-bonded Turntrans-124.6-6.5-176.8-89.5-178.5-3000118.5N1795N1795-Q1797 PolarHBondContact O-N 2.85Å
1798D31.7Very low35Very low135 Ų135144.5 Ų144.572%0.72272%0.718SS**  trans-125.223.4178.7-71.1-32.6000115.4K1800D1798-K1800 PolarHBondContact O-N 3.46Å; D1798-K1800 VanDerWaalsContact O-N 3.08Å
1799M29Very low36Very low160 Ų160139.1 Ų139.179%0.78870%0.699SS**THydrogen-bonded Turntrans-77.822.1177.1-88.9-67.6-143.600114.8I1802M1799-I1802 HydrophobicContact SD-CD1 3.84Å
1800K34.9Very low36.9Very low212 Ų212138.7 Ų138.792%0.92270%0.696SS**THydrogen-bonded Turntrans-112.17.2177.7-90.7-170.6175.2-174.70115.3D1798D1798-K1800 PolarHBondContact O-N 3.46Å; D1798-K1800 VanDerWaalsContact O-N 3.08Å
1801S37.4Very low37.8Very low90 Ų90134.8 Ų134.863%0.62967%0.673SS**  trans-145.936.6-176.944.10000113.8H1803S1801-H1803 PolarHBondContact O-N 2.89Å
1802I33.6Very low39.2Very low109 Ų109132.4 Ų132.456%0.55967%0.666SS**  trans-88.796.1164.9-68.3-175.8000105.8M1799 T1806M1799-I1802 HydrophobicContact SD-CD1 3.84Å; I1802-T1806 WeakPolarHBondContact CG2-OG1 3.31Å
1803H41.8Very low40.5Very low153 Ų153131.1 Ų131.171%0.70866%0.661SS**  trans-57.3147.4176.3-85.5-67.2000111.2S1801 E1805 T1806S1801-H1803 PolarHBondContact O-N 2.89Å; H1803-E1805 PolarHBondContact O-N 3.41Å; H1803-T1806 PolarHBondContact O-N 2.88Å; H1803-T1806 PolarHBondContact O-OG1 2.98Å
1804E40.5Very low41.9Very low169 Ų169124.6 Ų124.679%0.7963%0.634SS**Hα-helixtrans-43.3-35.5179.8-77170.7148.600113.9T1806 A1807 D1808E1804-T1806 PolarHBondContact O-N 2.98Å; E1804-T1806 VanDerWaalsContact O-N 3.09Å; E1804-A1807 PolarHBondContact O-N 3.22Å; E1804-A1807 VanDerWaalsContact O-N 3.09Å; E1804-D1808 PolarHBondContact O-N 2.83Å
1805E40.6Very low43.2Very low167 Ų167119.3 Ų119.378%0.7861%0.61SS**Hα-helixtrans-55.8-30177.5-75.4-175.2154.200114.5H1803 S1809H1803-E1805 PolarHBondContact O-N 3.41Å; E1805-S1809 PolarHBondContact O-N 2.94Å
1806T44.5Very low44.3Very low69 Ų69114.1 Ų114.142%0.42359%0.588SS.*Hα-helixtrans-84.8-25.9179.748.80000113.6I1802 H1803 E1804 M1810I1802-T1806 WeakPolarHBondContact CG2-OG1 3.31Å; H1803-T1806 PolarHBondContact O-N 2.88Å; H1803-T1806 PolarHBondContact O-OG1 2.98Å; E1804-T1806 PolarHBondContact O-N 2.98Å; E1804-T1806 VanDerWaalsContact O-N 3.09Å; T1806-M1810 WeakPolarHBondContact O-CG 3.5Å; T1806-M1810 PolarHBondContact O-N 3.22Å
1807A45.3Very low45.7Very low52 Ų52106.6 Ų106.643%0.4356%0.557SS.*Hα-helixtrans-71-42.5173.500000110.7E1804 S1809 M1810 C1811E1804-A1807 PolarHBondContact O-N 3.22Å; E1804-A1807 VanDerWaalsContact O-N 3.09Å; A1807-S1809 VanDerWaalsContact C-N 3.34Å; A1807-S1809 PolarHBondContact O-N 3.46Å; A1807-M1810 PolarHBondContact O-N 2.84Å; A1807-M1810 VanDerWaalsContact O-N 3.16Å; A1807-C1811 PolarHBondContact O-N 3.36Å
1808D46.4Very low47.2Very low101 Ų101100.1 Ų100.154%0.5453%0.526SS..Hα-helixtrans-60.6-44.4173.6-74-17000111.2E1804 M1810 C1811 I1812E1804-D1808 PolarHBondContact O-N 2.83Å; D1808-M1810 VanDerWaalsContact C-N 3.3Å; D1808-M1810 PolarHBondContact O-N 3.37Å; D1808-C1811 PolarHBondContact O-N 3.46Å; D1808-I1812 WeakPolarHBondContact O-CB 3.19Å; D1808-I1812 VanDerWaalsContact O-CG1 3.23Å; D1808-I1812 WeakPolarHBondContact O-CG1 3.35Å; D1808-I1812 PolarHBondContact O-N 2.91Å
1809S50.1Low48.7Very low56 Ų5698.5 Ų98.539%0.39251%0.51SS..Hα-helixtrans-62.2-35.7175.4-1760000112.7E1805 A1807 Q1813E1805-S1809 PolarHBondContact O-N 2.94Å; A1807-S1809 VanDerWaalsContact C-N 3.34Å; A1807-S1809 PolarHBondContact O-N 3.46Å; S1809-Q1813 WeakPolarHBondContact O-CB 3.12Å; S1809-Q1813 WeakPolarHBondContact O-CG 3.34Å; S1809-Q1813 PolarHBondContact O-N 3.18Å; S1809-Q1813 VanDerWaalsContact O-N 3.15Å
1810M52.1Low50.5Low145 Ų14595.4 Ų95.471%0.71450%0.496SS*.Hα-helixtrans-72.1-39.9176.1-81.2-173.6137.100112.2T1806 A1807 D1808 Q1813 N1814T1806-M1810 WeakPolarHBondContact O-CG 3.5Å; T1806-M1810 PolarHBondContact O-N 3.22Å; A1807-M1810 PolarHBondContact O-N 2.84Å; A1807-M1810 VanDerWaalsContact O-N 3.16Å; D1808-M1810 VanDerWaalsContact C-N 3.3Å; D1808-M1810 PolarHBondContact O-N 3.37Å; M1810-Q1813 PolarHBondContact O-N 3.19Å; M1810-N1814 PolarHBondContact O-N 2.76Å
1811C53.1Low52.1Low35 Ų3589 Ų8924%0.23647%0.471CS..Hα-helixtrans-65.4-44.6175.1-79.40000111.8A1807 D1808 Q1813 N1814 I1817A1807-C1811 PolarHBondContact O-N 3.36Å; D1808-C1811 PolarHBondContact O-N 3.46Å; C1811-Q1813 PolarHBondContact O-N 3.45Å; C1811-N1814 WeakPolarHBondContact O-CB 3.35Å; C1811-N1814 PolarHBondContact O-N 2.87Å; C1811-I1817 HydrophobicContact CB-CD1 3.94Å; C1811-I1817 WeakPolarHBondContact O-CB 3.49Å; C1811-I1817 WeakPolarHBondContact O-CD1 3.2Å
1812I56.9Low53.4Low100 Ų10088 Ų8851%0.51346%0.457SS..Hα-helixtrans-65.3-28.1176.9-68.3166.1000111.4D1808 N1814 Q1818D1808-I1812 WeakPolarHBondContact O-CB 3.19Å; D1808-I1812 VanDerWaalsContact O-CG1 3.23Å; D1808-I1812 WeakPolarHBondContact O-CG1 3.35Å; D1808-I1812 PolarHBondContact O-N 2.91Å; I1812-N1814 VanDerWaalsContact C-N 3.29Å; I1812-Q1818 VanDerWaalsContact O-CD 3.26Å; I1812-Q1818 WeakPolarHBondContact O-CG 3.37Å; I1812-Q1818 PolarHBondContact O-NE2 3.34Å
1813Q56.4Low55.1Low133 Ų13386.2 Ų86.262%0.62145%0.448SS*.THydrogen-bonded Turntrans-79.1-8.8172.9-75.4175.815.300113.6S1809 M1810 C1811 P1815S1809-Q1813 WeakPolarHBondContact O-CB 3.12Å; S1809-Q1813 WeakPolarHBondContact O-CG 3.34Å; S1809-Q1813 PolarHBondContact O-N 3.18Å; S1809-Q1813 VanDerWaalsContact O-N 3.15Å; M1810-Q1813 PolarHBondContact O-N 3.19Å; C1811-Q1813 PolarHBondContact O-N 3.45Å; Q1813-P1815 WeakPolarHBondContact O-CD 3.39Å
1814N59.8Low56.6Low45 Ų4581.4 Ų81.424%0.24144%0.435CS..  trans-73.6121.3177.9-171.1-35.9000110.2M1810 C1811 I1812 A1816 I1817 Q1818M1810-N1814 PolarHBondContact O-N 2.76Å; C1811-N1814 WeakPolarHBondContact O-CB 3.35Å; C1811-N1814 PolarHBondContact O-N 2.87Å; I1812-N1814 VanDerWaalsContact C-N 3.29Å; N1814-A1816 VanDerWaalsContact C-N 3.27Å; N1814-A1816 PolarHBondContact O-N 3.33Å; N1814-A1816 PolarHBondContact OD1-N 2.95Å; N1814-A1816 VanDerWaalsContact OD1-N 3.07Å; N1814-I1817 HydrophobicContact CB-CB 4.19Å; N1814-I1817 HydrophobicContact CB-CD1 4.02Å; N1814-I1817 HydrophobicContact CB-CG1 4.09Å; N1814-I1817 PolarHBondContact O-N 2.88Å; N1814-Q1818 PolarHBondContact O-N 3.31Å
1815P55.9Low58.1Low48 Ų4878 Ų7831%0.31242%0.422SS..Hα-helixtrans-57.5-35.6-177.7-25.933.7000115Y1660 Q1813 I1817 Q1818 W1819Y1660-P1815 HydrophobicContact CD2-CB 3.51Å; Y1660-P1815 HydrophobicContact CD2-CG 3.63Å; Y1660-P1815 HydrophobicContact CE2-CB 4.41Å; Y1660-P1815 HydrophobicContact CE2-CG 4.15Å; Y1660-P1815 HydrophobicContact CG-CB 3.8Å; Y1660-P1815 HydrophobicContact CG-CG 3.87Å; Q1813-P1815 WeakPolarHBondContact O-CD 3.39Å; P1815-I1817 VanDerWaalsContact C-N 3.33Å; P1815-Q1818 PolarHBondContact O-N 3.47Å; P1815-W1819 WeakPolarHBondContact O-CB 3.45Å; P1815-W1819 PolarHBondContact O-N 2.82Å
1816A56.7Low59.5Low38 Ų3871.4 Ų71.431%0.31440%0.396SS..Hα-helixtrans-68.8-34.9179.500000111.5N1814 L1820N1814-A1816 VanDerWaalsContact C-N 3.27Å; N1814-A1816 PolarHBondContact O-N 3.33Å; N1814-A1816 PolarHBondContact OD1-N 2.95Å; N1814-A1816 VanDerWaalsContact OD1-N 3.07Å; A1816-L1820 WeakPolarHBondContact O-CB 3.42Å; A1816-L1820 PolarHBondContact O-N 2.72Å
1817I61.3Low60.8Low41 Ų4169.7 Ų69.721%0.2139%0.392CS..Hα-helixtrans-73.8-42.5176.9-65.5179.1000110L1694 C1811 N1814 P1815 W1819 L1820 I1821L1694-I1817 HydrophobicContact CD1-CD1 4.13Å; C1811-I1817 HydrophobicContact CB-CD1 3.94Å; C1811-I1817 WeakPolarHBondContact O-CB 3.49Å; C1811-I1817 WeakPolarHBondContact O-CD1 3.2Å; N1814-I1817 HydrophobicContact CB-CB 4.19Å; N1814-I1817 HydrophobicContact CB-CD1 4.02Å; N1814-I1817 HydrophobicContact CB-CG1 4.09Å; N1814-I1817 PolarHBondContact O-N 2.88Å; P1815-I1817 VanDerWaalsContact C-N 3.33Å; I1817-W1819 VanDerWaalsContact C-N 3.34Å; I1817-W1819 PolarHBondContact O-N 2.88Å; I1817-L1820 PolarHBondContact O-N 3.31Å; I1817-L1820 VanDerWaalsContact O-N 3.17Å; I1817-I1821 HydrophobicContact CG2-CD1 3.73Å; I1817-I1821 HydrophobicContact CG2-CG1 4.26Å; I1817-I1821 VanDerWaalsContact O-CG1 3.31Å; I1817-I1821 WeakPolarHBondContact O-CG1 3.22Å; I1817-I1821 PolarHBondContact O-N 2.9Å
1818Q62.3Low62.4Low45 Ų4571.6 Ų71.621%0.2139%0.394CS..Hα-helixtrans-57.9-46.3175.6-70.8-177.3-18.500112F1657 I1812 N1814 P1815 L1820 I1821 E1822F1657-Q1818 HydrophobicContact CD1-CB 4.31Å; F1657-Q1818 HydrophobicContact CE1-CB 4.06Å; F1657-Q1818 HydrophobicContact CE1-CG 3.89Å; F1657-Q1818 VanDerWaalsContact CE1-OE1 3.25Å; I1812-Q1818 VanDerWaalsContact O-CD 3.26Å; I1812-Q1818 WeakPolarHBondContact O-CG 3.37Å; I1812-Q1818 PolarHBondContact O-NE2 3.34Å; N1814-Q1818 PolarHBondContact O-N 3.31Å; P1815-Q1818 PolarHBondContact O-N 3.47Å; Q1818-L1820 VanDerWaalsContact C-N 3.33Å; Q1818-L1820 PolarHBondContact O-N 2.81Å; Q1818-I1821 PolarHBondContact O-N 3.5Å; Q1818-E1822 WeakPolarHBondContact O-CB 3.42Å; Q1818-E1822 PolarHBondContact O-N 3.15Å
1819W64.3Low63.6Low100 Ų10071.9 Ų71.938%0.37940%0.395SS..Hα-helixtrans-58.1-45174.9175.485.7000111.9P1815 I1817 E1822 D1823P1815-W1819 WeakPolarHBondContact O-CB 3.45Å; P1815-W1819 PolarHBondContact O-N 2.82Å; I1817-W1819 VanDerWaalsContact C-N 3.34Å; I1817-W1819 PolarHBondContact O-N 2.88Å; W1819-E1822 PolarHBondContact O-N 3.26Å; W1819-D1823 WeakPolarHBondContact O-CB 3.24Å; W1819-D1823 PolarHBondContact O-N 2.99Å
1820L67Low64.7Low95 Ų9570.7 Ų70.750%0.49739%0.387SS..Hα-helixtrans-69.2-36.3-177.5-153.1138.7000112A1816 I1817 Q1818 A1824A1816-L1820 WeakPolarHBondContact O-CB 3.42Å; A1816-L1820 PolarHBondContact O-N 2.72Å; I1817-L1820 PolarHBondContact O-N 3.31Å; I1817-L1820 VanDerWaalsContact O-N 3.17Å; Q1818-L1820 VanDerWaalsContact C-N 3.33Å; Q1818-L1820 PolarHBondContact O-N 2.81Å; L1820-A1824 VanDerWaalsContact O-CB 3.27Å; L1820-A1824 WeakPolarHBondContact O-CB 3.34Å; L1820-A1824 PolarHBondContact O-N 3.35Å
1821I68.3Low65.9Low77 Ų7768.3 Ų68.340%0.39538%0.377SS..Hα-helixtrans-64.6-45.7171.9-69.1169.4000110.4I1817 Q1818 A1824 L1825I1817-I1821 HydrophobicContact CG2-CD1 3.73Å; I1817-I1821 HydrophobicContact CG2-CG1 4.26Å; I1817-I1821 VanDerWaalsContact O-CG1 3.31Å; I1817-I1821 WeakPolarHBondContact O-CG1 3.22Å; I1817-I1821 PolarHBondContact O-N 2.9Å; Q1818-I1821 PolarHBondContact O-N 3.5Å; I1821-A1824 PolarHBondContact O-N 2.73Å; I1821-L1825 HydrophobicContact CG2-CD1 3.81Å; I1821-L1825 HydrophobicContact CG2-CG 4.31Å; I1821-L1825 WeakPolarHBondContact O-CB 3.41Å; I1821-L1825 VanDerWaalsContact O-CG 3.3Å; I1821-L1825 WeakPolarHBondContact O-CG 3.33Å; I1821-L1825 PolarHBondContact O-N 3.1Å
1822E65.4Low66.9Low69 Ų6969.6 Ų69.632%0.32238%0.381SS..Hα-helixtrans-62.8-44.4178.2-170.1-170162.600111.3Q1818 W1819 A1824 L1825 A1826Q1818-E1822 WeakPolarHBondContact O-CB 3.42Å; Q1818-E1822 PolarHBondContact O-N 3.15Å; W1819-E1822 PolarHBondContact O-N 3.26Å; E1822-A1824 VanDerWaalsContact C-N 3.35Å; E1822-A1824 PolarHBondContact O-N 3.44Å; E1822-L1825 PolarHBondContact O-N 2.79Å; E1822-A1826 WeakPolarHBondContact O-CB 3.34Å; E1822-A1826 PolarHBondContact O-N 3.49Å
1823D69.1Low67.6Low72 Ų7267.5 Ų67.539%0.38537%0.37SS..Hα-helixtrans-64.3-41.2179-154.358.2000111.6R1482 W1819 G1827R1482-D1823 IonicContact CZ-OD1 3.78Å; R1482-D1823 IonicContact NH1-OD1 3.66Å; R1482-D1823 PolarHBondContact NH1-OD1 2.96Å; R1482-D1823 IonicContact NH2-OD1 3.53Å; R1482-D1823 PolarHBondContact NH2-OD1 2.84Å; W1819-D1823 WeakPolarHBondContact O-CB 3.24Å; W1819-D1823 PolarHBondContact O-N 2.99Å; D1823-G1827 PolarHBondContact O-N 2.67Å
1824A72.7Confident68.4Low52 Ų5264.2 Ų64.243%0.4336%0.357SS..Hα-helixtrans-64.3-46.5173.600000112.2L1820 I1821 E1822 G1827 I1828L1820-A1824 VanDerWaalsContact O-CB 3.27Å; L1820-A1824 WeakPolarHBondContact O-CB 3.34Å; L1820-A1824 PolarHBondContact O-N 3.35Å; I1821-A1824 PolarHBondContact O-N 2.73Å; E1822-A1824 VanDerWaalsContact C-N 3.35Å; E1822-A1824 PolarHBondContact O-N 3.44Å; A1824-G1827 PolarHBondContact O-N 3.25Å; A1824-I1828 VanDerWaalsContact O-CG1 3.24Å; A1824-I1828 WeakPolarHBondContact O-CG1 3.3Å; A1824-I1828 PolarHBondContact O-N 3.4Å
1825L72.1Confident69.1Low97 Ų9766 Ų6651%0.50836%0.364SS..Hα-helixtrans-65.3-41.1178.3-75.4174.3000112.1I1821 E1822 G1827 I1828 L1829I1821-L1825 HydrophobicContact CG2-CD1 3.81Å; I1821-L1825 HydrophobicContact CG2-CG 4.31Å; I1821-L1825 WeakPolarHBondContact O-CB 3.41Å; I1821-L1825 VanDerWaalsContact O-CG 3.3Å; I1821-L1825 WeakPolarHBondContact O-CG 3.33Å; I1821-L1825 PolarHBondContact O-N 3.1Å; E1822-L1825 PolarHBondContact O-N 2.79Å; L1825-G1827 VanDerWaalsContact C-N 3.33Å; L1825-I1828 PolarHBondContact O-N 2.89Å; L1825-L1829 WeakPolarHBondContact O-CB 3.5Å; L1825-L1829 WeakPolarHBondContact O-CG 3.23Å; L1825-L1829 PolarHBondContact O-N 2.77Å
1826A70.2Confident69.8Low30 Ų3065.5 Ų65.525%0.24836%0.36CS..Hα-helixtrans-62.1-42.8174.400000110.8E1822 L1829 S1830E1822-A1826 WeakPolarHBondContact O-CB 3.34Å; E1822-A1826 PolarHBondContact O-N 3.49Å; A1826-L1829 PolarHBondContact O-N 3.08Å; A1826-S1830 WeakPolarHBondContact O-CB 3.46Å; A1826-S1830 PolarHBondContact O-N 3.3Å
1827G72Confident70.3Confident32 Ų3266 Ų6633%0.3336%0.357SS..Hα-helixtrans-60.2-45.5172.700000112.7D1823 A1824 L1825 S1830 N1831D1823-G1827 PolarHBondContact O-N 2.67Å; A1824-G1827 PolarHBondContact O-N 3.25Å; L1825-G1827 VanDerWaalsContact C-N 3.33Å; G1827-S1830 PolarHBondContact O-N 3.32Å; G1827-N1831 VanDerWaalsContact O-CG 3.23Å; G1827-N1831 PolarHBondContact O-N 2.81Å; G1827-N1831 PolarHBondContact O-OD1 2.89Å
1828I78Confident70.7Confident93 Ų9370.3 Ų70.348%0.47738%0.376SS..Hα-helixtrans-61.4-47.2177.2-69.2162.3000111.1A1824 L1825 S1830 N1831 I1832A1824-I1828 VanDerWaalsContact O-CG1 3.24Å; A1824-I1828 WeakPolarHBondContact O-CG1 3.3Å; A1824-I1828 PolarHBondContact O-N 3.4Å; L1825-I1828 PolarHBondContact O-N 2.89Å; I1828-S1830 VanDerWaalsContact C-N 3.34Å; I1828-S1830 PolarHBondContact O-N 2.84Å; I1828-N1831 PolarHBondContact O-N 3.45Å; I1828-I1832 HydrophobicContact CG2-CD1 3.87Å; I1828-I1832 WeakPolarHBondContact O-CG1 3.2Å; I1828-I1832 PolarHBondContact O-N 2.91Å
1829L72.8Confident70.9Confident106 Ų10677.2 Ų77.256%0.55541%0.406SS*.Hα-helixtrans-64.8-38.5178.7-74.5170.2000112.1L1825 A1826 I1832 L1833L1825-L1829 WeakPolarHBondContact O-CB 3.5Å; L1825-L1829 WeakPolarHBondContact O-CG 3.23Å; L1825-L1829 PolarHBondContact O-N 2.77Å; A1826-L1829 PolarHBondContact O-N 3.08Å; L1829-I1832 PolarHBondContact O-N 3.02Å; L1829-L1833 WeakPolarHBondContact O-CB 3.39Å; L1829-L1833 VanDerWaalsContact O-CG 3.27Å; L1829-L1833 WeakPolarHBondContact O-CG 3.48Å; L1829-L1833 PolarHBondContact O-N 3.39Å
1830S72.2Confident71.1Confident32 Ų3279.7 Ų79.722%0.22442%0.422CS..Hα-helixtrans-59.9-48.7174-164.30000110.7A1826 G1827 I1828 I1832 L1833 D1834A1826-S1830 WeakPolarHBondContact O-CB 3.46Å; A1826-S1830 PolarHBondContact O-N 3.3Å; G1827-S1830 PolarHBondContact O-N 3.32Å; I1828-S1830 VanDerWaalsContact C-N 3.34Å; I1828-S1830 PolarHBondContact O-N 2.84Å; S1830-I1832 PolarHBondContact O-N 3.45Å; S1830-L1833 PolarHBondContact O-N 3.02Å; S1830-D1834 PolarHBondContact O-N 3.33Å
1831N76.8Confident71Confident94 Ų9480.1 Ų80.150%0.50342%0.42SS..Hα-helixtrans-60.9-45.1179.1-67.8-8.4000111.9G1827 I1828 L1833 D1834 E1835G1827-N1831 VanDerWaalsContact O-CG 3.23Å; G1827-N1831 PolarHBondContact O-N 2.81Å; G1827-N1831 PolarHBondContact O-OD1 2.89Å; I1828-N1831 PolarHBondContact O-N 3.45Å; N1831-L1833 VanDerWaalsContact C-N 3.31Å; N1831-L1833 PolarHBondContact O-N 3.47Å; N1831-D1834 WeakPolarHBondContact O-CB 3.32Å; N1831-D1834 PolarHBondContact O-N 3.38Å; N1831-E1835 WeakPolarHBondContact O-CG 3.48Å; N1831-E1835 PolarHBondContact O-N 2.97Å
1832I75Confident70.9Confident62 Ų6282.4 Ų82.432%0.31843%0.428SS..Hα-helixtrans-60.6-42.4176.8-67.5166.9000110.7I1828 L1829 S1830 D1834 E1835 V1836 F1841I1828-I1832 HydrophobicContact CG2-CD1 3.87Å; I1828-I1832 WeakPolarHBondContact O-CG1 3.2Å; I1828-I1832 PolarHBondContact O-N 2.91Å; L1829-I1832 PolarHBondContact O-N 3.02Å; S1830-I1832 PolarHBondContact O-N 3.45Å; I1832-D1834 VanDerWaalsContact C-N 3.34Å; I1832-E1835 PolarHBondContact O-N 3.42Å; I1832-V1836 HydrophobicContact CG2-CG2 4.45Å; I1832-V1836 WeakPolarHBondContact O-CG2 3.29Å; I1832-V1836 PolarHBondContact O-N 3.33Å; I1832-F1841 HydrophobicContact CG2-CD1 4.35Å
1833L72.3Confident70.7Confident57 Ų5784.1 Ų84.130%0.29844%0.439SS..Hα-helixtrans-67.5-36.3178.3-72.5169000111.7I1484 Q1537 L1829 S1830 N1831 V1836 N1837 I1843I1484-L1833 HydrophobicContact CD1-CD1 3.69Å; Q1537-L1833 PolarHBondContact NE2-O 2.79Å; L1829-L1833 WeakPolarHBondContact O-CB 3.39Å; L1829-L1833 VanDerWaalsContact O-CG 3.27Å; L1829-L1833 WeakPolarHBondContact O-CG 3.48Å; L1829-L1833 PolarHBondContact O-N 3.39Å; S1830-L1833 PolarHBondContact O-N 3.02Å; N1831-L1833 VanDerWaalsContact C-N 3.31Å; N1831-L1833 PolarHBondContact O-N 3.47Å; L1833-V1836 PolarHBondContact O-N 2.68Å; L1833-N1837 WeakPolarHBondContact O-CB 3.42Å; L1833-N1837 PolarHBondContact O-N 2.84Å; L1833-I1843 HydrophobicContact CD2-CD1 4.45Å
1834D71.6Confident70.6Confident63 Ų6386.7 Ų86.734%0.33746%0.457SS..Hα-helixtrans-63.2-47.5173.9-80-36.7000111.1Q1537 S1830 N1831 I1832 V1836 N1837 E1838Q1537-D1834 WeakPolarHBondContact CG-OD1 3.2Å; Q1537-D1834 PolarHBondContact NE2-OD1 2.8Å; Q1537-D1834 VanDerWaalsContact NE2-OD1 3.17Å; Q1537-D1834 PolarHBondContact OE1-OD1 2.86Å; S1830-D1834 PolarHBondContact O-N 3.33Å; N1831-D1834 WeakPolarHBondContact O-CB 3.32Å; N1831-D1834 PolarHBondContact O-N 3.38Å; I1832-D1834 VanDerWaalsContact C-N 3.34Å; D1834-V1836 VanDerWaalsContact C-N 3.26Å; D1834-V1836 PolarHBondContact O-N 2.72Å; D1834-N1837 PolarHBondContact O-N 2.86Å; D1834-N1837 VanDerWaalsContact O-N 3.1Å; D1834-E1838 PolarHBondContact O-N 2.77Å
1835E75.8Confident69.9Low84 Ų8487.8 Ų87.839%0.39346%0.459SS..Hα-helixtrans-57.6-38.5173.6-70.4169.8-165.200111.8N1831 I1832 K1839 E1840 F1841N1831-E1835 WeakPolarHBondContact O-CG 3.48Å; N1831-E1835 PolarHBondContact O-N 2.97Å; I1832-E1835 PolarHBondContact O-N 3.42Å; E1835-K1839 PolarHBondContact O-N 3.26Å; E1835-E1840 HydrophobicContact CB-CB 4.38Å; E1835-E1840 WeakPolarHBondContact O-CB 3.42Å; E1835-E1840 PolarHBondContact O-N 3.36Å; E1835-F1841 HydrophobicContact CB-CB 4.34Å; E1835-F1841 PolarHBondContact O-N 3.47Å
1836V69.7Low68.7Low36 Ų3694 Ų9422%0.21848%0.475CS..Hα-helixtrans-67.7-42175.7172.10000112.1I1832 L1833 D1834 E1838 K1839 F1841 I1843I1832-V1836 HydrophobicContact CG2-CG2 4.45Å; I1832-V1836 WeakPolarHBondContact O-CG2 3.29Å; I1832-V1836 PolarHBondContact O-N 3.33Å; L1833-V1836 PolarHBondContact O-N 2.68Å; D1834-V1836 VanDerWaalsContact C-N 3.26Å; D1834-V1836 PolarHBondContact O-N 2.72Å; V1836-E1838 VanDerWaalsContact C-N 3.31Å; V1836-K1839 WeakPolarHBondContact O-CA 3.48Å; V1836-K1839 PolarHBondContact O-N 3.05Å; V1836-F1841 VanDerWaalsContact CA-O 3.26Å; V1836-F1841 WeakPolarHBondContact CA-O 3.24Å; V1836-F1841 HydrophobicContact CG2-CB 4Å; V1836-F1841 HydrophobicContact CG2-CD1 3.59Å; V1836-F1841 HydrophobicContact CG2-CG 4.28Å; V1836-F1841 WeakPolarHBondContact CG2-O 3.38Å; V1836-I1843 HydrophobicContact CB-CD1 4.22Å; V1836-I1843 HydrophobicContact CB-CG1 4.17Å; V1836-I1843 HydrophobicContact CG1-CD1 3.77Å; V1836-I1843 HydrophobicContact CG1-CG1 3.75Å; V1836-I1843 HydrophobicContact CG2-CD1 3.67Å; V1836-I1843 HydrophobicContact CG2-CG1 3.31Å
1837N68.3Low67.6Low48 Ų4897.8 Ų97.826%0.25750%0.497SS..Hα-helixtrans-67.1-35.7-179.6-171.845.4000111.2T1535 L1833 D1834 K1839T1535-N1837 PolarHBondContact O-ND2 2.93Å; L1833-N1837 WeakPolarHBondContact O-CB 3.42Å; L1833-N1837 PolarHBondContact O-N 2.84Å; D1834-N1837 PolarHBondContact O-N 2.86Å; D1834-N1837 VanDerWaalsContact O-N 3.1Å; N1837-K1839 PolarHBondContact O-N 3.29Å
1838E68.5Low66.4Low133 Ų133107.7 Ų107.762%0.62153%0.525SS*.THydrogen-bonded Turntrans-76.10.4170.3-65.6-60.2150.100113.3D1834 V1836 E1840D1834-E1838 PolarHBondContact O-N 2.77Å; V1836-E1838 VanDerWaalsContact C-N 3.31Å; E1838-E1840 HydrophobicContact CB-CG 4.23Å; E1838-E1840 PolarHBondContact O-N 3.3Å
1839K66.3Low64.8Low190 Ų190110.4 Ų110.483%0.82654%0.539SS*.THydrogen-bonded Turntrans6222.2-178.4-54.1178179174.70114.6E1835 V1836 N1837 F1841E1835-K1839 PolarHBondContact O-N 3.26Å; V1836-K1839 WeakPolarHBondContact O-CA 3.48Å; V1836-K1839 PolarHBondContact O-N 3.05Å; N1837-K1839 PolarHBondContact O-N 3.29Å; K1839-F1841 VanDerWaalsContact C-N 3.33Å
1840E69.9Low63.2Low152 Ų152112.7 Ų112.771%0.7155%0.55SS*.SBendtrans-73.6-31.4171.3-61.1-174.8163.900111E1835 E1838E1835-E1840 HydrophobicContact CB-CB 4.38Å; E1835-E1840 WeakPolarHBondContact O-CB 3.42Å; E1835-E1840 PolarHBondContact O-N 3.36Å; E1838-E1840 HydrophobicContact CB-CG 4.23Å; E1838-E1840 PolarHBondContact O-N 3.3Å
1841F63.3Low61.6Low104 Ų104115.2 Ų115.246%0.45657%0.573SS.*SBendtrans-127.3132178.7-170.7-106.9000111.5I1832 E1835 V1836 K1839 I1843I1832-F1841 HydrophobicContact CG2-CD1 4.35Å; E1835-F1841 HydrophobicContact CB-CB 4.34Å; E1835-F1841 PolarHBondContact O-N 3.47Å; V1836-F1841 VanDerWaalsContact CA-O 3.26Å; V1836-F1841 WeakPolarHBondContact CA-O 3.24Å; V1836-F1841 HydrophobicContact CG2-CB 4Å; V1836-F1841 HydrophobicContact CG2-CD1 3.59Å; V1836-F1841 HydrophobicContact CG2-CG 4.28Å; V1836-F1841 WeakPolarHBondContact CG2-O 3.38Å; K1839-F1841 VanDerWaalsContact C-N 3.33Å; F1841-I1843 HydrophobicContact CD1-CG1 4.3Å; F1841-I1843 HydrophobicContact CE1-CG1 4.41Å
1842E65.9Low59.5Low124 Ų124118.1 Ų118.158%0.57959%0.588SS**  trans-111.9106.3179-175.6-175.5-139.200109.6T1844 T1845E1842-T1844 PolarHBondContact O-N 2.79Å; E1842-T1845 WeakPolarHBondContact CB-OG1 3.33Å; E1842-T1845 VanDerWaalsContact CG-OG1 3.23Å; E1842-T1845 WeakPolarHBondContact CG-OG1 3.46Å; E1842-T1845 PolarHBondContact O-N 3.07Å; E1842-T1845 PolarHBondContact O-OG1 2.83Å; E1842-T1845 PolarHBondContact OE2-OG1 2.88Å
1843I62.5Low57.8Low106 Ų106120.2 Ų120.254%0.54461%0.605SS.*THydrogen-bonded Turntrans-67.6-27.6-172.5-37.6173.3000111.8L1833 V1836 F1841 T1845L1833-I1843 HydrophobicContact CD2-CD1 4.45Å; V1836-I1843 HydrophobicContact CB-CD1 4.22Å; V1836-I1843 HydrophobicContact CB-CG1 4.17Å; V1836-I1843 HydrophobicContact CG1-CD1 3.77Å; V1836-I1843 HydrophobicContact CG1-CG1 3.75Å; V1836-I1843 HydrophobicContact CG2-CD1 3.67Å; V1836-I1843 HydrophobicContact CG2-CG1 3.31Å; F1841-I1843 HydrophobicContact CD1-CG1 4.3Å; F1841-I1843 HydrophobicContact CE1-CG1 4.41Å; I1843-T1845 VanDerWaalsContact C-N 3.34Å
1844T66.4Low56.2Low125 Ų125123.4 Ų123.477%0.76763%0.629SS**THydrogen-bonded Turntrans-80.7-15.4-17849.40000113.2E1842 R1846E1842-T1844 PolarHBondContact O-N 2.79Å; T1844-R1846 PolarHBondContact O-N 2.72Å
1845T58.4Low54.5Low76 Ų76126.6 Ų126.647%0.46665%0.651SS.*SBendtrans-68.1125.5175.3-16.10000107.5E1842 I1843 P1847E1842-T1845 WeakPolarHBondContact CB-OG1 3.33Å; E1842-T1845 VanDerWaalsContact CG-OG1 3.23Å; E1842-T1845 WeakPolarHBondContact CG-OG1 3.46Å; E1842-T1845 PolarHBondContact O-N 3.07Å; E1842-T1845 PolarHBondContact O-OG1 2.83Å; E1842-T1845 PolarHBondContact OE2-OG1 2.88Å; I1843-T1845 VanDerWaalsContact C-N 3.34Å; T1845-P1847 VanDerWaalsContact O-N 3.15Å
1846R46.7Very low52.6Low227 Ų227128.7 Ų128.786%0.85767%0.67SS**PPolyproline II helixtrans-51.2128.5174.4-79.6-175.2175.9180-1107.8T1844 R1848T1844-R1846 PolarHBondContact O-N 2.72Å; R1846-R1848 PolarHBondContact O-N 3.39Å; R1846-R1848 VanDerWaalsContact O-N 3.12Å
1847P48.1Very low50.9Low109 Ų109135.4 Ų135.471%0.70870%0.704SS**PPolyproline II helixtrans-51.7128.217919.8-30.7000107.3T1845 I1849T1845-P1847 VanDerWaalsContact O-N 3.15Å; P1847-I1849 PolarHBondContact O-N 2.79Å
1848R45.1Very low49.2Very low241 Ų241141 Ų14191%0.90973%0.728SS**  trans-63.495.8169.2-81.1-173.6177.1179.91.8105.4R1846 I1850R1846-R1848 PolarHBondContact O-N 3.39Å; R1846-R1848 VanDerWaalsContact O-N 3.12Å; R1848-I1850 VanDerWaalsContact C-N 3.32Å; R1848-I1850 PolarHBondContact O-N 3.06Å
1849I45.1Very low47.6Very low150 Ų150141.5 Ų141.577%0.76974%0.735SS**  trans-54.5106.1169.3-60.4170.9000103.6P1847 A1851P1847-I1849 PolarHBondContact O-N 2.79Å; I1849-A1851 VanDerWaalsContact C-N 3.26Å; I1849-A1851 PolarHBondContact O-N 3.36Å
1850I40.2Very low45.8Very low153 Ų153142.4 Ų142.479%0.78574%0.739SS**  trans-56.5104.5169.4-65.8173.7000103.6R1848 L1852R1848-I1850 VanDerWaalsContact C-N 3.32Å; R1848-I1850 PolarHBondContact O-N 3.06Å; I1850-L1852 VanDerWaalsContact C-N 3.31Å; I1850-L1852 PolarHBondContact O-N 3.37Å
1851A37.8Very low44Very low86 Ų86142.7 Ų142.771%0.71175%0.745SS**  trans-63.998.7-176.700000106.4I1849I1849-A1851 VanDerWaalsContact C-N 3.26Å; I1849-A1851 PolarHBondContact O-N 3.36Å
1852L33.4Very low42.5Very low155 Ų155146.2 Ų146.281%0.81276%0.763SS**PPolyproline II helixtrans-56.1128.3168.6-75.6161.8000106.7I1850I1850-L1852 VanDerWaalsContact C-N 3.31Å; I1850-L1852 PolarHBondContact O-N 3.37Å
1853P38.2Very low40.9Very low105 Ų105149 Ų14968%0.68278%0.781SS**PPolyproline II helixtrans-57.6143.5-175.120.1-30.5000110.7T1855P1853-T1855 PolarHBondContact O-N 2.88Å; P1853-T1855 VanDerWaalsContact O-N 3.14Å
1854P38.4Very low39.3Very low125 Ų125157.1 Ų157.181%0.81281%0.813SS**PPolyproline II helixtrans-61118.8-173.123.2-32.1000110.3T1856P1854-T1856 PolarHBondContact O-N 3.45Å; P1854-T1856 VanDerWaalsContact O-N 3.1Å
1855T36Very low37.9Very low130 Ų130158.7 Ų158.780%0.79882%0.815SS**  trans-62.4110.6174.133.70000109.1P1853 L1857P1853-T1855 PolarHBondContact O-N 2.88Å; P1853-T1855 VanDerWaalsContact O-N 3.14Å; T1855-L1857 PolarHBondContact O-N 2.86Å
1856T36.3Very low36.9Very low127 Ų127163.1 Ų163.178%0.77983%0.833SS**  trans-56.4111.5174.240.10000110P1854 Q1858P1854-T1856 PolarHBondContact O-N 3.45Å; P1854-T1856 VanDerWaalsContact O-N 3.1Å; T1856-Q1858 PolarHBondContact O-N 3.37Å
1857L33.7Very low36.3Very low178 Ų178159.5 Ų159.593%0.93283%0.832SS**  trans-57.5105.7168.3-94.492.1000109.7T1855T1855-L1857 PolarHBondContact O-N 2.86Å
1858Q34.2Very low35.6Very low164 Ų164162.5 Ų162.577%0.76684%0.839SS**  trans-108.2101.3157.4-80.9-178.8-10.300107.8T1856T1856-Q1858 PolarHBondContact O-N 3.37Å
1859N34.5Very low35Very low144 Ų144157.6 Ų157.677%0.7784%0.835SS**  169.7120.1111-86.2-32.4000111L1861N1859-L1861 PolarHBondContact O-N 3.06Å
1860K28.2Very low34.4Very low210 Ų210158.1 Ų158.191%0.91384%0.839SS**  trans-61.6104.4165.7-72.8172.5168.7178.40110.2
1861L31Very low34Very low157 Ų157158.4 Ų158.482%0.82284%0.843SS**  trans-158.490.7157-83.2165.3000101.7N1859N1859-L1861 PolarHBondContact O-N 3.06Å
1862E31.9Very low33.7Very low179 Ų179164 Ų16484%0.83685%0.853SS**  -175.495.884.4-84166.9168.900106.3
1863D32.7Very low33.7Very low181 Ų181164.8 Ų164.897%0.96886%0.857SS**  trans-132.582.4155.2-112.9-20.2000105.2
1864K29.3Very low33.3Very low277 Ų277170.2 Ų170.2100%1.20487%0.873SS**  trans-148.70162.7-136.7-170.2-170.3-173.90108.5

Retrieved 1,864 of 1,864 residues in 759.9 ms (Link to these results)

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