A0A077ZLW7_TRITR Loading...

Peripheral plasma membrane protein CASK

AlphaFold DB , UniProt , Accession A0A077ZLW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 2,168 aa.

>A0A077ZLW7_TRITR|A0A077ZLW7
MILESVRIDWDKCDEKDIAFAILCDALEDKTLAYRLAYRKSEKDAAKFYETPRFKKLLDVLEPFGIGNVNNNAITKEENKNELLKMLDKIDQALSDGNLEPKDALKMQTDIRVKLNDKFEMEESQKQKRIIVVPSKHDITNFCKEAQLPNISKIVVSQERFAKELDPYSHRVLFDTNLPSICCKLDDGSYCEIEFKKFGIPMQRRIVDKKSLCLGGNKRNHILHDSNPTDKLKKNFADFKWHWDETNQDGIEMQAIRIQQSYGDVGLLVYMNEDNEVKCRLFSYEDGYQIITHKDDNGEPLLDCVYYRTEDNVRHIDAYDKTYHYHFTDVFVQDVDTNEVLKGWCLESKEVHGFSESPLITKRGDVAWNNGQDLIELFEIIYNLFAVIQKRHGWGILYIKGKLNETAKKIAGSIILNDTSIEGNGSAEFKTPPSPQNMIEFMQSILDQLQIATGCTFILPKDIKSSGDISGLAIQMTRSLDIEEANNAAIEWQNFVSKHSRLFKEGLAKQLVASGENPTAITEFKQMRISTSFKPWQPFDESAWNQMLCTLSGAGLISTKTGVEKNTVSTPDEEKLTYDENTGNEIIGLFPSEANPAIVSSYTYDAKRMGGAPTLTATIYSSEPLQWKKEEFVEYNGDRFFASYTPNSTKDNSSRMWKSEITFTSRRELLDNTLFFDVVVDDVDTQNKDKYRSNQTKFTFGGTIYEFVARINSSMAYCGLYRPTEEYKGYYVVVDEGYGTDEVKEVSFEDQYLTDVLQLINTTFELDYYWDGNVCHVGKVQHDLTDTPIKYGSSDALISVAKENANYKIVDMITGYGSSDNLPYYYPNDDEFGEAVFNTENISKDKVSVELSKFLKDSRYNDTLVLYKSKDGKNYNGSVDVSSKAFDRFTTPSNLTQADSQSNPTVTCIFSFDILISAIKGQTIDLTSLGFDFELNSSVSRKDYITKVGNAVKSIYLFKGKELYKTISKRMSIGSTITYTFEEDGDFTLSIESEFSYKCKVYKNSAGINDFYGADSWNAAFSGSVEFLYESKSEYEWKNGDKYIPYSDAGINVSVISEANCIEYDYQFVKDGDRYGFNKVYTGTEDNAVRVMVTDRVWIAPSSVLMPSIYRNTKGAERFYYALNNTHKLPSGSGYYEFVNLYKKGNPHQGTVTFDDIKPTINGIVNAEGQLLGEIADVAFDKEDSDVKDSDGKYIHNYFYIKLHKFNGDFGFDLFAHALASESAKINLIKSNGCPACSFTIDCYWNSTKNKCYNNVLTDGNGNLKSDSGKMNSKGDYILNDTYVEDNKSNQDSTKEELWICVQKDTSTLGIVMPNASAGFKPQKGDLFVITGIKPPKVLVTAAEKRLDDALVKHMSENNTDQFNYSVKFSRIFLQENPDFASKLNENAKLSIQIQGDYDNDGNLISHKVFVSNYSVKVDNDELAEVEIELVNSLEVTKSDTKQIIDAVKGETVKSLSSMVGGSNTNSFNASITDKMYLSKLKDDTAKGTVTWEKVQKFLQGLNIGEGNGTWSADGTLSLFRLLTNNFSSGPYGQGAQIDEKGDMEVNSIYARQFISAPKFVFNEISVTKAEQWNTNGYGTIESVDVKNRTITLHLEENDYGSLQVGDICRGLYADIDNAHGADKIEEGALDDCNFVQHKGFFSTYFYVMHIITNEKGKFVFQYGKKSSVTPDPCAYMDFAQYGSFTDEKRQSSMYFSSRGNSFIEVLDGVKTWEVQSQNRVARYGWLGGLLLVKKDGSTVRPEGNGIYVQDNIYFGGNINYLQGLSGLDDLREEAKAYDVSLSQYQSVITVDDMGNVINGLYTEDEAKTTKQYRISTAVFVRKGMDILLEEDGNTEDVTAGHYRVHAVSEDCEVMVQNSTIFVTAIRNIKDGVAGTKDDSNFDYDAMRKATDAMVTIVVELEGKTSKTVQMPIRIQHDTLPFMVCDLSNESASVAWNTKTSKYIGLPIKTKVSLLYHNEPWAISSLNISKVAGLITSMSIEGKAKVITIDADNLTDDTLAQVTKMNITVVGRYAGANYEYTRELTILKSSDTVVYELIPSADSIVVDKDGGTSVNSVSCDVYATSSDDKRYKLTALPAGISLKYGKSENATKDLALGAGVDVTSDDKMVTFALYDSNNNILDKESVPVLAFGKDGKGIEYIFKLQNPAPSNPTPSDYATNTEYQRTDK
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.5Low64.7Low178 Ų17894.4 Ų94.488%0.87747%0.466SS*.  0-80.50-72.2-166.773.400113.1L3 E4 S5M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.45Å; M1-E4 PolarHBondContact O-N 3.2Å; M1-S5 PolarHBondContact O-N 3.01Å; M1-S5 PolarHBondContact O-OG 2.99Å
2I64.6Low64.8Low52 Ų52101.3 Ų101.327%0.26749%0.492SS..Hα-helixtrans-51.4-46.6-177.3-60.7179.2000111.6E4 S5 V6 I18 L61 F64 I66I2-E4 PolarHBondContact O-N 3.44Å; I2-S5 PolarHBondContact O-N 3.13Å; I2-V6 HydrophobicContact CG2-CG2 4.04Å; I2-V6 WeakPolarHBondContact O-CB 3.27Å; I2-V6 VanDerWaalsContact O-CG2 3.22Å; I2-V6 WeakPolarHBondContact O-CG2 3.44Å; I2-V6 PolarHBondContact O-N 3.37Å; I2-I18 HydrophobicContact CG2-CG2 4.29Å; I2-L61 HydrophobicContact CG2-CD2 3.34Å; I2-F64 HydrophobicContact CD1-CB 4.38Å; I2-F64 HydrophobicContact CG1-CB 4.44Å; I2-F64 HydrophobicContact CG1-CD1 3.97Å; I2-F64 HydrophobicContact CG1-CG 4.14Å; I2-F64 HydrophobicContact CG2-CD2 4.5Å; I2-I66 HydrophobicContact CD1-CD1 3.92Å
3L63.3Low65.1Low55 Ų5594.5 Ų94.529%0.28846%0.461SS..Hα-helixtrans-62.5-37.8-179.8-131119.6000114M1 R7 E15 I18M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.45Å; L3-R7 WeakPolarHBondContact O-CB 3.4Å; L3-R7 VanDerWaalsContact O-CG 3.26Å; L3-R7 WeakPolarHBondContact O-CG 3.2Å; L3-R7 PolarHBondContact O-N 3.39Å; L3-R7 VanDerWaalsContact O-N 3.13Å; L3-E15 HydrophobicContact CD1-CG 3.89Å; L3-E15 HydrophobicContact CD2-CG 3.83Å; L3-E15 HydrophobicContact CG-CG 4.39Å; L3-I18 HydrophobicContact CD1-CD1 3.95Å; L3-I18 HydrophobicContact CG-CD1 3.79Å
4E65.8Low65.9Low141 Ų14193.1 Ų93.166%0.65946%0.456SS*.Hα-helixtrans-70.4-42.7176.1-79.5176.1139.200110.7M1 I2 R7 I8M1-E4 PolarHBondContact O-N 3.2Å; I2-E4 PolarHBondContact O-N 3.44Å; E4-R7 PolarHBondContact O-N 2.79Å; E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 2.65Å
5S66.5Low66.6Low40 Ų4094.4 Ų94.428%0.2846%0.461SS..Hα-helixtrans-65.2-44178.1-54.80000112.6M1 I2 R7 I8M1-S5 PolarHBondContact O-N 3.01Å; M1-S5 PolarHBondContact O-OG 2.99Å; I2-S5 PolarHBondContact O-N 3.13Å; S5-R7 VanDerWaalsContact C-N 3.3Å; S5-R7 PolarHBondContact O-N 2.99Å; S5-I8 WeakPolarHBondContact O-CB 3.3Å; S5-I8 PolarHBondContact O-N 3.12Å
6V70.6Confident67.5Low0 Ų094.9 Ų94.90%046%0.46CS..Hα-helixtrans-63.7-37.1176.5174.70000111I2 I8 D9 W10 C13 I18 L57 V60 L61I2-V6 HydrophobicContact CG2-CG2 4.04Å; I2-V6 WeakPolarHBondContact O-CB 3.27Å; I2-V6 VanDerWaalsContact O-CG2 3.22Å; I2-V6 WeakPolarHBondContact O-CG2 3.44Å; I2-V6 PolarHBondContact O-N 3.37Å; V6-I8 VanDerWaalsContact C-N 3.25Å; V6-I8 PolarHBondContact O-N 3.41Å; V6-D9 PolarHBondContact O-N 3.23Å; V6-W10 PolarHBondContact O-N 2.92Å; V6-C13 HydrophobicContact CG1-CB 3.72Å; V6-I18 HydrophobicContact CB-CD1 4.27Å; V6-I18 HydrophobicContact CG1-CD1 4.17Å; V6-I18 HydrophobicContact CG2-CD1 4.42Å; V6-L57 HydrophobicContact CG1-CD1 3.86Å; V6-V60 HydrophobicContact CB-CG1 4.36Å; V6-V60 HydrophobicContact CG1-CG1 4.23Å; V6-V60 HydrophobicContact CG2-CG1 4.06Å; V6-L61 HydrophobicContact CG2-CD2 3.5Å; V6-L61 VanDerWaalsContact CG2-CD2 3.5Å; V6-L61 HydrophobicContact CG2-CG 4.33Å
7R69.8Low68.4Low123 Ų12389.8 Ų89.846%0.46444%0.435SS..Hα-helixtrans-68.4-21177.4-81.1-176.5179.4179.58.3113.6L3 E4 S5 E15L3-R7 WeakPolarHBondContact O-CB 3.4Å; L3-R7 VanDerWaalsContact O-CG 3.26Å; L3-R7 WeakPolarHBondContact O-CG 3.2Å; L3-R7 PolarHBondContact O-N 3.39Å; L3-R7 VanDerWaalsContact O-N 3.13Å; E4-R7 PolarHBondContact O-N 2.79Å; S5-R7 VanDerWaalsContact C-N 3.3Å; S5-R7 PolarHBondContact O-N 2.99Å; R7-E15 IonicContact NH2-OE1 2.71Å; R7-E15 PolarHBondContact NH2-OE1 3.07Å
8I67Low69.2Low133 Ų13385.2 Ų85.268%0.68241%0.413SS*.Hα-helixtrans-70.3-39.9174.4-68165.8000110.9E4 S5 V6E4-I8 WeakPolarHBondContact O-CG1 3.49Å; E4-I8 PolarHBondContact O-N 2.65Å; S5-I8 WeakPolarHBondContact O-CB 3.3Å; S5-I8 PolarHBondContact O-N 3.12Å; V6-I8 VanDerWaalsContact C-N 3.25Å; V6-I8 PolarHBondContact O-N 3.41Å
9D64Low69.9Low123 Ų12382.6 Ų82.666%0.65841%0.407SS*.Hα-helixtrans-93.3-19.5-179.3-72.5-32.9000113.3V6 V60V6-D9 PolarHBondContact O-N 3.23Å; D9-V60 HydrophobicContact CB-CG1 4.46Å
10W64.7Low70.7Confident51 Ų5178.5 Ų78.519%0.19339%0.387CS..  trans-149.689-178.1-158.3-0.3000114.5V6 K12 C13 R53 K56 L57V6-W10 PolarHBondContact O-N 2.92Å; W10-K12 PolarHBondContact O-N 3.31Å; W10-C13 PolarHBondContact O-N 3.41Å; W10-R53 HydrophobicContact CH2-CB 4.45Å; W10-R53 HydrophobicContact CH2-CG 3.74Å; W10-R53 WeakPolarHBondContact CH2-O 3.37Å; W10-R53 HydrophobicContact CZ2-CG 4.08Å; W10-R53 WeakPolarHBondContact CZ3-O 3.47Å; W10-K56 HydrophobicContact CD2-CD 4.5Å; W10-K56 HydrophobicContact CE3-CD 4.2Å; W10-K56 HydrophobicContact CE3-CG 4.18Å; W10-K56 HydrophobicContact CH2-CB 3.9Å; W10-K56 HydrophobicContact CH2-CD 3.83Å; W10-K56 HydrophobicContact CH2-CG 4.06Å; W10-K56 HydrophobicContact CZ2-CD 4.15Å; W10-K56 HydrophobicContact CZ3-CB 3.73Å; W10-K56 HydrophobicContact CZ3-CD 3.87Å; W10-K56 HydrophobicContact CZ3-CG 3.71Å; W10-L57 HydrophobicContact CZ3-CB 4.02Å
11D64.1Low71.2Confident142 Ų14274.8 Ų74.876%0.75937%0.369SS*.THydrogen-bonded Turntrans-51.2-19.3-179.7-61.6-2.8000116.7
12K65.6Low72.6Confident178 Ų17869.6 Ų69.677%0.77434%0.344SS*.THydrogen-bonded Turntrans-109.714.4-172.1-67.5-169.8178.9-1780114.4W10W10-K12 PolarHBondContact O-N 3.31Å
13C69.1Low73.2Confident13 Ų1369.3 Ų69.39%0.08834%0.342CS..  trans-72.9126.3178.8-167.60000111.6V6 W10 I18 L57V6-C13 HydrophobicContact CG1-CB 3.72Å; W10-C13 PolarHBondContact O-N 3.41Å; C13-I18 WeakPolarHBondContact SG-CG1 3.45Å; C13-L57 WeakPolarHBondContact SG-CD1 3.44Å
14D75.4Confident73.8Confident74 Ų7467 Ų6740%0.39633%0.331SS..  trans-81.7140.9175.4-167.9-37000109.6K16 D17 I18D14-K16 PolarHBondContact O-N 2.91Å; D14-K16 PolarHBondContact OD1-N 3.38Å; D14-D17 HydrophobicContact CB-CB 4.44Å; D14-D17 WeakPolarHBondContact O-CB 3.17Å; D14-D17 PolarHBondContact O-N 2.89Å; D14-I18 PolarHBondContact O-N 2.72Å
15E77Confident74.1Confident113 Ų11363.3 Ų63.353%0.52832%0.316SS..Hα-helixtrans-56.4-32.6174.6-69.7172.2-179.400111.6L3 R7 I18 A19L3-E15 HydrophobicContact CD1-CG 3.89Å; L3-E15 HydrophobicContact CD2-CG 3.83Å; L3-E15 HydrophobicContact CG-CG 4.39Å; R7-E15 IonicContact NH2-OE1 2.71Å; R7-E15 PolarHBondContact NH2-OE1 3.07Å; E15-I18 PolarHBondContact O-N 2.64Å; E15-A19 WeakPolarHBondContact O-CB 3.21Å; E15-A19 PolarHBondContact O-N 3.13Å
16K81.1Confident74.1Confident103 Ų10365.1 Ų65.145%0.44833%0.333SS..Hα-helixtrans-69.7-33.8175.2-65.6-176.7178.2-179.20113.2D14 A19 F20 Y38D14-K16 PolarHBondContact O-N 2.91Å; D14-K16 PolarHBondContact OD1-N 3.38Å; K16-A19 PolarHBondContact O-N 2.9Å; K16-F20 WeakPolarHBondContact O-CB 3.42Å; K16-F20 PolarHBondContact O-N 2.87Å; K16-Y38 HydrophobicContact CB-CD1 4.07Å; K16-Y38 HydrophobicContact CB-CE1 3.84Å; K16-Y38 HydrophobicContact CD-CD1 4.34Å
17D83.6Confident73.8Confident7 Ų768.3 Ų68.34%0.03735%0.35CS..Hα-helixtrans-65.8-44.2175.2-60.1-8.3000109.9D14 F20 A21 Y38 R53 F54 L57D14-D17 HydrophobicContact CB-CB 4.44Å; D14-D17 WeakPolarHBondContact O-CB 3.17Å; D14-D17 PolarHBondContact O-N 2.89Å; D17-F20 PolarHBondContact O-N 3.34Å; D17-A21 PolarHBondContact O-N 3.08Å; D17-Y38 WeakPolarHBondContact CA-OH 3.48Å; D17-Y38 PolarHBondContact OD1-OH 3.32Å; D17-R53 IonicContact OD1-NH2 3.43Å; D17-R53 IonicContact OD2-CZ 3.71Å; D17-R53 VanDerWaalsContact OD2-CZ 3.28Å; D17-R53 IonicContact OD2-NE 2.96Å; D17-R53 PolarHBondContact OD2-NE 2.59Å; D17-R53 IonicContact OD2-NH2 3.37Å; D17-R53 PolarHBondContact OD2-NH2 3.08Å; D17-F54 HydrophobicContact CB-CE2 4.46Å; D17-F54 VanDerWaalsContact O-CE2 3.31Å; D17-F54 WeakPolarHBondContact O-CE2 3.47Å; D17-L57 HydrophobicContact CB-CD2 3.55Å
18I82Confident73.1Confident8 Ų868.7 Ų68.74%0.04136%0.357CS..Hα-helixtrans-64.2-44.6176.4-62.5170.8000110.6I2 L3 V6 C13 D14 E15 F20 A21 I22 L57I2-I18 HydrophobicContact CG2-CG2 4.29Å; L3-I18 HydrophobicContact CD1-CD1 3.95Å; L3-I18 HydrophobicContact CG-CD1 3.79Å; V6-I18 HydrophobicContact CB-CD1 4.27Å; V6-I18 HydrophobicContact CG1-CD1 4.17Å; V6-I18 HydrophobicContact CG2-CD1 4.42Å; C13-I18 WeakPolarHBondContact SG-CG1 3.45Å; D14-I18 PolarHBondContact O-N 2.72Å; E15-I18 PolarHBondContact O-N 2.64Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 PolarHBondContact O-N 3.05Å; I18-A21 PolarHBondContact O-N 2.97Å; I18-I22 HydrophobicContact CG2-CD1 3.78Å; I18-I22 HydrophobicContact CG2-CG1 4.46Å; I18-I22 WeakPolarHBondContact O-CG1 3.32Å; I18-I22 PolarHBondContact O-N 3.11Å; I18-L57 HydrophobicContact CG1-CD1 4.23Å; I18-L57 HydrophobicContact CG1-CD2 4.34Å
19A82.4Confident73.2Confident36 Ų3666 Ų6630%0.29834%0.344SS..Hα-helixtrans-58.9-42.6175.900000111.4E15 K16 A21 I22 L23 A37E15-A19 WeakPolarHBondContact O-CB 3.21Å; E15-A19 PolarHBondContact O-N 3.13Å; K16-A19 PolarHBondContact O-N 2.9Å; A19-A21 PolarHBondContact O-N 3.38Å; A19-I22 PolarHBondContact O-N 3.2Å; A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.31Å; A19-L23 WeakPolarHBondContact O-CD1 3.42Å; A19-L23 WeakPolarHBondContact O-CG 3.11Å; A19-L23 PolarHBondContact O-N 3.42Å; A19-A37 HydrophobicContact CB-CB 4.32Å
20F85.4Confident73.6Confident0 Ų064.4 Ų64.40%033%0.331CS..Hα-helixtrans-62.7-41.7176.7-176.6-135.2000112.1K16 D17 I18 L23 C24 K30 A33 Y34 A37 Y38 F48 Y49 F54K16-F20 WeakPolarHBondContact O-CB 3.42Å; K16-F20 PolarHBondContact O-N 2.87Å; D17-F20 PolarHBondContact O-N 3.34Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 PolarHBondContact O-N 3.05Å; F20-L23 PolarHBondContact O-N 2.93Å; F20-C24 WeakPolarHBondContact CE2-SG 3.34Å; F20-C24 WeakPolarHBondContact CZ-SG 3.37Å; F20-C24 WeakPolarHBondContact O-CB 3.28Å; F20-C24 PolarHBondContact O-N 2.74Å; F20-C24 PolarHBondContact O-SG 2.83Å; F20-K30 WeakPolarHBondContact CE2-O 3.4Å; F20-A33 VanDerWaalsContact CD2-C 3.48Å; F20-A33 HydrophobicContact CD2-CB 3.96Å; F20-A33 HydrophobicContact CE2-CB 3.81Å; F20-Y34 AromaticContact CD1-CD2 3.88Å; F20-Y34 HydrophobicContact CD1-CD2 3.88Å; F20-Y34 HydrophobicContact CD1-CE2 4.38Å; F20-Y34 VanDerWaalsContact CD2-CA 3.41Å; F20-Y34 AromaticContact CD2-CD2 3.98Å; F20-Y34 HydrophobicContact CD2-CD2 3.98Å; F20-Y34 HydrophobicContact CD2-CG 4.5Å; F20-Y34 AromaticContact CE1-CD2 3.61Å; F20-Y34 HydrophobicContact CE1-CD2 3.61Å; F20-Y34 HydrophobicContact CE1-CE2 4.24Å; F20-Y34 VanDerWaalsContact CE2-CB 3.41Å; F20-Y34 AromaticContact CE2-CD2 3.69Å; F20-Y34 HydrophobicContact CE2-CD2 3.69Å; F20-Y34 HydrophobicContact CE2-CG 4.07Å; F20-Y34 HydrophobicContact CG-CD2 4.1Å; F20-Y34 AromaticContact CZ-CD2 3.5Å; F20-Y34 HydrophobicContact CZ-CD2 3.5Å; F20-Y34 HydrophobicContact CZ-CG 4.15Å; F20-A37 HydrophobicContact CB-CB 3.51Å; F20-A37 HydrophobicContact CD2-CB 4.27Å; F20-A37 HydrophobicContact CG-CB 4.27Å; F20-Y38 HydrophobicContact CB-CD2 4.4Å; F20-Y38 HydrophobicContact CB-CE2 3.53Å; F20-Y38 AromaticContact CD1-CE2 3.74Å; F20-Y38 HydrophobicContact CD1-CE2 3.74Å; F20-Y38 HydrophobicContact CD2-CE2 4.37Å; F20-Y38 HydrophobicContact CG-CD2 4.4Å; F20-Y38 AromaticContact CG-CE2 3.61Å; F20-Y38 HydrophobicContact CG-CE2 3.61Å; F20-F48 AromaticContact CD1-CD1 3.74Å; F20-F48 HydrophobicContact CD1-CD1 3.74Å; F20-F48 AromaticContact CD1-CE1 3.92Å; F20-F48 HydrophobicContact CD1-CE1 3.92Å; F20-F48 AromaticContact CE1-CD1 3.72Å; F20-F48 HydrophobicContact CE1-CD1 3.72Å; F20-F48 HydrophobicContact CE1-CE1 4.35Å; F20-Y49 HydrophobicContact CE1-CD2 4.09Å; F20-Y49 HydrophobicContact CZ-CD2 4.19Å; F20-F54 HydrophobicContact CB-CE2 4.09Å; F20-F54 HydrophobicContact CB-CZ 4.05Å; F20-F54 HydrophobicContact CD1-CD1 4.49Å; F20-F54 HydrophobicContact CD1-CD2 4.17Å; F20-F54 AromaticContact CD1-CE1 3.79Å; F20-F54 HydrophobicContact CD1-CE1 3.79Å; F20-F54 AromaticContact CD1-CE2 3.4Å; F20-F54 HydrophobicContact CD1-CE2 3.4Å; F20-F54 VanDerWaalsContact CD1-CE2 3.4Å; F20-F54 AromaticContact CD1-CZ 3.15Å; F20-F54 HydrophobicContact CD1-CZ 3.15Å; F20-F54 HydrophobicContact CE1-CD1 4.41Å; F20-F54 AromaticContact CE1-CE1 3.86Å; F20-F54 HydrophobicContact CE1-CE1 3.86Å; F20-F54 HydrophobicContact CE1-CE2 4.22Å; F20-F54 AromaticContact CE1-CZ 3.73Å; F20-F54 HydrophobicContact CE1-CZ 3.73Å; F20-F54 HydrophobicContact CG-CE2 4.15Å; F20-F54 AromaticContact CG-CZ 3.84Å; F20-F54 HydrophobicContact CG-CZ 3.84Å
21A82.7Confident74.1Confident1 Ų164.4 Ų64.41%0.00834%0.337CS..Hα-helixtrans-64.1-44.6179.500000111.7D17 I18 A19 C24 D25 F54 L57 L58 L61 I66D17-A21 PolarHBondContact O-N 3.08Å; I18-A21 PolarHBondContact O-N 2.97Å; A19-A21 PolarHBondContact O-N 3.38Å; A21-C24 PolarHBondContact O-N 3.33Å; A21-D25 PolarHBondContact O-N 3.39Å; A21-F54 HydrophobicContact CB-CE1 4.4Å; A21-F54 HydrophobicContact CB-CE2 4.21Å; A21-F54 HydrophobicContact CB-CZ 3.66Å; A21-L57 HydrophobicContact CB-CD2 4.49Å; A21-L58 HydrophobicContact CB-CD2 4.09Å; A21-L61 HydrophobicContact CB-CD1 3.56Å; A21-I66 HydrophobicContact CB-CG2 4.39Å
22I79.1Confident74.5Confident69 Ų6960.9 Ų60.935%0.35432%0.318SS..Hα-helixtrans-63.7-44.3176.4-66.5167.8000111I18 A19 C24 D25 A26 I66I18-I22 HydrophobicContact CG2-CD1 3.78Å; I18-I22 HydrophobicContact CG2-CG1 4.46Å; I18-I22 WeakPolarHBondContact O-CG1 3.32Å; I18-I22 PolarHBondContact O-N 3.11Å; A19-I22 PolarHBondContact O-N 3.2Å; I22-C24 VanDerWaalsContact C-N 3.35Å; I22-C24 PolarHBondContact O-N 3.1Å; I22-D25 PolarHBondContact O-N 3Å; I22-A26 WeakPolarHBondContact O-CB 3.41Å; I22-A26 PolarHBondContact O-N 2.74Å; I22-I66 HydrophobicContact CD1-CD1 4.39Å; I22-I66 HydrophobicContact CG1-CD1 3.68Å
23L76.9Confident75.1Confident45 Ų4552.4 Ų52.424%0.23628%0.281CS..Hα-helixtrans-67.4-35.2179.8-73.5165.5000112.1A19 F20 D25 A26 L27 A33 L36 A37A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.31Å; A19-L23 WeakPolarHBondContact O-CD1 3.42Å; A19-L23 WeakPolarHBondContact O-CG 3.11Å; A19-L23 PolarHBondContact O-N 3.42Å; F20-L23 PolarHBondContact O-N 2.93Å; L23-D25 VanDerWaalsContact C-N 3.28Å; L23-D25 PolarHBondContact O-N 3.45Å; L23-A26 PolarHBondContact O-N 3.23Å; L23-L27 HydrophobicContact CB-CD1 4.25Å; L23-L27 HydrophobicContact CD2-CD1 3.82Å; L23-L27 HydrophobicContact CD2-CG 4.47Å; L23-L27 WeakPolarHBondContact O-CB 3.19Å; L23-L27 PolarHBondContact O-N 3Å; L23-A33 HydrophobicContact CB-CB 3.57Å; L23-L36 HydrophobicContact CD1-CB 3.74Å; L23-L36 HydrophobicContact CD2-CD1 4.32Å; L23-A37 HydrophobicContact CD1-CB 4.1Å
24C77.1Confident75.6Confident7 Ų752.3 Ų52.35%0.04728%0.279CS..Hα-helixtrans-62-36.5173.5-86.60000112.6F20 A21 I22 Y49F20-C24 WeakPolarHBondContact CE2-SG 3.34Å; F20-C24 WeakPolarHBondContact CZ-SG 3.37Å; F20-C24 WeakPolarHBondContact O-CB 3.28Å; F20-C24 PolarHBondContact O-N 2.74Å; F20-C24 PolarHBondContact O-SG 2.83Å; A21-C24 PolarHBondContact O-N 3.33Å; I22-C24 VanDerWaalsContact C-N 3.35Å; I22-C24 PolarHBondContact O-N 3.1Å; C24-Y49 HydrophobicContact CB-CE2 4.03Å
25D72.2Confident75.6Confident64 Ų6454.2 Ų54.234%0.34228%0.28SS..Hα-helixtrans-73.6-35.9177.8-14868.1000111.2A21 I22 L23 I66 G67A21-D25 PolarHBondContact O-N 3.39Å; I22-D25 PolarHBondContact O-N 3Å; L23-D25 VanDerWaalsContact C-N 3.28Å; L23-D25 PolarHBondContact O-N 3.45Å; D25-I66 HydrophobicContact CB-CG2 4.42Å; D25-G67 PolarHBondContact OD1-N 2.87Å
26A65.9Low75.6Confident78 Ų7853.4 Ų53.465%0.64528%0.279SS*.Hα-helixtrans-85-32.6-175.600000115.7I22 L23I22-A26 WeakPolarHBondContact O-CB 3.41Å; I22-A26 PolarHBondContact O-N 2.74Å; L23-A26 PolarHBondContact O-N 3.23Å
27L64.4Low75.6Confident67 Ų6749 Ų4935%0.35126%0.262SS..Hα-helixtrans-100.5-8.5-167.8-68.9172.3000114.9L23 D29 L32 A33 L36L23-L27 HydrophobicContact CB-CD1 4.25Å; L23-L27 HydrophobicContact CD2-CD1 3.82Å; L23-L27 HydrophobicContact CD2-CG 4.47Å; L23-L27 WeakPolarHBondContact O-CB 3.19Å; L23-L27 PolarHBondContact O-N 3Å; L27-D29 PolarHBondContact O-N 2.9Å; L27-L32 HydrophobicContact CD1-CD2 4.35Å; L27-L32 HydrophobicContact CD1-CG 4.3Å; L27-A33 HydrophobicContact CD1-CB 4.29Å; L27-L36 HydrophobicContact CD1-CD1 3.61Å
28E55.6Low75.4Confident131 Ų13149.8 Ų49.861%0.61226%0.264SS*.SBendtrans55.7-38.7-164.6-74.8-176.8157.800114.6K30E28-K30 PolarHBondContact O-N 3.04Å
29D68.2Low74.9Confident76 Ų7660.3 Ų60.341%0.40630%0.304SS..  trans-80.198.8175.4-175.2-2.9000112.2L27 T31 L32 A33L27-D29 PolarHBondContact O-N 2.9Å; D29-T31 PolarHBondContact O-N 3.35Å; D29-T31 WeakPolarHBondContact OD1-CA 3.34Å; D29-T31 WeakPolarHBondContact OD1-CB 3.35Å; D29-T31 PolarHBondContact OD1-N 3.16Å; D29-T31 PolarHBondContact OD1-OG1 3.18Å; D29-L32 HydrophobicContact CB-CB 4.15Å; D29-L32 PolarHBondContact O-N 2.9Å; D29-L32 PolarHBondContact OD1-N 2.95Å; D29-A33 PolarHBondContact O-N 3.4Å
30K72.7Confident74.5Confident90 Ų9064.4 Ų64.439%0.39132%0.315SS..Hα-helixtrans-58.6-27.2176.3-59.1174.9-174.2176.20113F20 E28 Y34F20-K30 WeakPolarHBondContact CE2-O 3.4Å; E28-K30 PolarHBondContact O-N 3.04Å; K30-Y34 WeakPolarHBondContact O-CB 3.22Å; K30-Y34 PolarHBondContact O-N 2.92Å; K30-Y34 VanDerWaalsContact O-N 3.14Å
31T75.5Confident73.6Confident51 Ų5168 Ų6831%0.31334%0.34SS..Hα-helixtrans-75.5-45.7-176.8-34.40000110.5D29 Y34 R35 E42 A45D29-T31 PolarHBondContact O-N 3.35Å; D29-T31 WeakPolarHBondContact OD1-CA 3.34Å; D29-T31 WeakPolarHBondContact OD1-CB 3.35Å; D29-T31 PolarHBondContact OD1-N 3.16Å; D29-T31 PolarHBondContact OD1-OG1 3.18Å; T31-Y34 PolarHBondContact O-N 3.23Å; T31-R35 PolarHBondContact O-N 3.1Å; T31-R35 VanDerWaalsContact O-N 3.11Å; T31-E42 HydrophobicContact CG2-CB 3.48Å; T31-E42 VanDerWaalsContact CG2-CB 3.48Å; T31-E42 HydrophobicContact CG2-CG 3.66Å; T31-A45 HydrophobicContact CG2-CB 4.35Å
32L71.9Confident72.8Confident68 Ų6872.7 Ų72.736%0.35636%0.362SS..Hα-helixtrans-65.3-44.5175-177.461.6000111.4L27 D29 Y34 R35 L36L27-L32 HydrophobicContact CD1-CD2 4.35Å; L27-L32 HydrophobicContact CD1-CG 4.3Å; D29-L32 HydrophobicContact CB-CB 4.15Å; D29-L32 PolarHBondContact O-N 2.9Å; D29-L32 PolarHBondContact OD1-N 2.95Å; L32-Y34 PolarHBondContact O-N 2.84Å; L32-R35 PolarHBondContact O-N 3.3Å; L32-L36 HydrophobicContact CD1-CD1 4.35Å; L32-L36 HydrophobicContact CD1-CG 4.47Å; L32-L36 HydrophobicContact CG-CD1 4.05Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.34Å
33A78.3Confident72.2Confident0 Ų078.6 Ų78.60%039%0.385CS..Hα-helixtrans-54.4-41.7174.600000111.9F20 L23 L27 D29 L36 A37F20-A33 VanDerWaalsContact CD2-C 3.48Å; F20-A33 HydrophobicContact CD2-CB 3.96Å; F20-A33 HydrophobicContact CE2-CB 3.81Å; L23-A33 HydrophobicContact CB-CB 3.57Å; L27-A33 HydrophobicContact CD1-CB 4.29Å; D29-A33 PolarHBondContact O-N 3.4Å; A33-L36 PolarHBondContact O-N 2.75Å; A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 2.77Å
34Y80.8Confident71.7Confident11 Ų1179.9 Ų79.94%0.04339%0.392CS..Hα-helixtrans-68.8-43.2-179.4-166.8-103.9000112.1F20 K30 T31 L32 L36 A37 Y38 K40 D44 A45 F48F20-Y34 AromaticContact CD1-CD2 3.88Å; F20-Y34 HydrophobicContact CD1-CD2 3.88Å; F20-Y34 HydrophobicContact CD1-CE2 4.38Å; F20-Y34 VanDerWaalsContact CD2-CA 3.41Å; F20-Y34 AromaticContact CD2-CD2 3.98Å; F20-Y34 HydrophobicContact CD2-CD2 3.98Å; F20-Y34 HydrophobicContact CD2-CG 4.5Å; F20-Y34 AromaticContact CE1-CD2 3.61Å; F20-Y34 HydrophobicContact CE1-CD2 3.61Å; F20-Y34 HydrophobicContact CE1-CE2 4.24Å; F20-Y34 VanDerWaalsContact CE2-CB 3.41Å; F20-Y34 AromaticContact CE2-CD2 3.69Å; F20-Y34 HydrophobicContact CE2-CD2 3.69Å; F20-Y34 HydrophobicContact CE2-CG 4.07Å; F20-Y34 HydrophobicContact CG-CD2 4.1Å; F20-Y34 AromaticContact CZ-CD2 3.5Å; F20-Y34 HydrophobicContact CZ-CD2 3.5Å; F20-Y34 HydrophobicContact CZ-CG 4.15Å; K30-Y34 WeakPolarHBondContact O-CB 3.22Å; K30-Y34 PolarHBondContact O-N 2.92Å; K30-Y34 VanDerWaalsContact O-N 3.14Å; T31-Y34 PolarHBondContact O-N 3.23Å; L32-Y34 PolarHBondContact O-N 2.84Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 3.09Å; Y34-A37 PolarHBondContact O-N 3.29Å; Y34-Y38 HydrophobicContact CD1-CD2 4.35Å; Y34-Y38 AromaticContact CD2-CD2 3.34Å; Y34-Y38 HydrophobicContact CD2-CD2 3.34Å; Y34-Y38 AromaticContact CD2-CE2 3.5Å; Y34-Y38 HydrophobicContact CD2-CE2 3.5Å; Y34-Y38 HydrophobicContact CD2-CG 4.46Å; Y34-Y38 HydrophobicContact CE1-CD2 4.24Å; Y34-Y38 AromaticContact CE2-CD2 3.18Å; Y34-Y38 HydrophobicContact CE2-CD2 3.18Å; Y34-Y38 AromaticContact CE2-CE2 3.26Å; Y34-Y38 HydrophobicContact CE2-CE2 3.26Å; Y34-Y38 HydrophobicContact CE2-CG 4.03Å; Y34-Y38 AromaticContact CG-CD2 3.94Å; Y34-Y38 HydrophobicContact CG-CD2 3.94Å; Y34-Y38 HydrophobicContact CG-CE2 4.49Å; Y34-Y38 AromaticContact CZ-CD2 3.68Å; Y34-Y38 PolarHBondContact O-N 2.9Å; Y34-K40 HydrophobicContact CE1-CB 4.11Å; Y34-D44 HydrophobicContact CE1-CB 4.06Å; Y34-A45 VanDerWaalsContact CB-CB 3.42Å; Y34-A45 HydrophobicContact CD1-CB 3.84Å; Y34-A45 HydrophobicContact CD2-CB 4.29Å; Y34-A45 HydrophobicContact CG-CB 3.59Å; Y34-F48 HydrophobicContact CD2-CB 4.3Å; Y34-F48 HydrophobicContact CD2-CD1 4.27Å; Y34-F48 HydrophobicContact CD2-CG 4.45Å; Y34-F48 HydrophobicContact CE2-CB 3.46Å; Y34-F48 VanDerWaalsContact CE2-CB 3.46Å; Y34-F48 AromaticContact CE2-CD1 3.58Å; Y34-F48 HydrophobicContact CE2-CD1 3.58Å; Y34-F48 HydrophobicContact CE2-CD2 4.18Å; Y34-F48 HydrophobicContact CE2-CE1 4.36Å; Y34-F48 AromaticContact CE2-CG 3.46Å; Y34-F48 HydrophobicContact CE2-CG 3.46Å; Y34-F48 VanDerWaalsContact CE2-CG 3.46Å
35R75.2Confident71.6Confident113 Ų11379.7 Ų79.743%0.42639%0.391SS..Hα-helixtrans-60.3-42.9175.9-175.9-173.7-95136.5-4.5110.6T31 L32 R39 E42T31-R35 PolarHBondContact O-N 3.1Å; T31-R35 VanDerWaalsContact O-N 3.11Å; L32-R35 PolarHBondContact O-N 3.3Å; R35-R39 WeakPolarHBondContact O-CA 3.32Å; R35-R39 PolarHBondContact O-N 3.18Å; R35-E42 IonicContact CZ-OE1 2.77Å; R35-E42 IonicContact NH1-OE1 3.43Å; R35-E42 PolarHBondContact NH1-OE1 2.76Å; R35-E42 VanDerWaalsContact NH2-CD 3.28Å; R35-E42 IonicContact NH2-OE1 3.47Å; R35-E42 PolarHBondContact NH2-OE1 2.83Å
36L75.6Confident71.5Confident97 Ų9780 Ų8051%0.50840%0.402SS..Hα-helixtrans-67.1-43.9179.6-74.5168.7000112.3L23 L27 L32 A33 Y34L23-L36 HydrophobicContact CD1-CB 3.74Å; L23-L36 HydrophobicContact CD2-CD1 4.32Å; L27-L36 HydrophobicContact CD1-CD1 3.61Å; L32-L36 HydrophobicContact CD1-CD1 4.35Å; L32-L36 HydrophobicContact CD1-CG 4.47Å; L32-L36 HydrophobicContact CG-CD1 4.05Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.34Å; A33-L36 PolarHBondContact O-N 2.75Å; Y34-L36 VanDerWaalsContact C-N 3.3Å; Y34-L36 PolarHBondContact O-N 3.09Å
37A82Confident72Confident10 Ų1083.8 Ų83.88%0.08340%0.404CS..Hα-helixtrans-72.1-45.4-178.500000113.4A19 F20 L23 A33 Y34A19-A37 HydrophobicContact CB-CB 4.32Å; F20-A37 HydrophobicContact CB-CB 3.51Å; F20-A37 HydrophobicContact CD2-CB 4.27Å; F20-A37 HydrophobicContact CG-CB 4.27Å; L23-A37 HydrophobicContact CD1-CB 4.1Å; A33-A37 WeakPolarHBondContact O-CB 3.34Å; A33-A37 PolarHBondContact O-N 2.77Å; Y34-A37 PolarHBondContact O-N 3.29Å
38Y80.2Confident72.7Confident23 Ų2382.4 Ų82.49%0.0940%0.395CS..Hα-helixtrans-102.9-16.8-172.3-65.4-80.8000114.8K16 D17 F20 Y34 K40 F48K16-Y38 HydrophobicContact CB-CD1 4.07Å; K16-Y38 HydrophobicContact CB-CE1 3.84Å; K16-Y38 HydrophobicContact CD-CD1 4.34Å; D17-Y38 WeakPolarHBondContact CA-OH 3.48Å; D17-Y38 PolarHBondContact OD1-OH 3.32Å; F20-Y38 HydrophobicContact CB-CD2 4.4Å; F20-Y38 HydrophobicContact CB-CE2 3.53Å; F20-Y38 AromaticContact CD1-CE2 3.74Å; F20-Y38 HydrophobicContact CD1-CE2 3.74Å; F20-Y38 HydrophobicContact CD2-CE2 4.37Å; F20-Y38 HydrophobicContact CG-CD2 4.4Å; F20-Y38 AromaticContact CG-CE2 3.61Å; F20-Y38 HydrophobicContact CG-CE2 3.61Å; Y34-Y38 HydrophobicContact CD1-CD2 4.35Å; Y34-Y38 AromaticContact CD2-CD2 3.34Å; Y34-Y38 HydrophobicContact CD2-CD2 3.34Å; Y34-Y38 AromaticContact CD2-CE2 3.5Å; Y34-Y38 HydrophobicContact CD2-CE2 3.5Å; Y34-Y38 HydrophobicContact CD2-CG 4.46Å; Y34-Y38 HydrophobicContact CE1-CD2 4.24Å; Y34-Y38 AromaticContact CE2-CD2 3.18Å; Y34-Y38 HydrophobicContact CE2-CD2 3.18Å; Y34-Y38 AromaticContact CE2-CE2 3.26Å; Y34-Y38 HydrophobicContact CE2-CE2 3.26Å; Y34-Y38 HydrophobicContact CE2-CG 4.03Å; Y34-Y38 AromaticContact CG-CD2 3.94Å; Y34-Y38 HydrophobicContact CG-CD2 3.94Å; Y34-Y38 HydrophobicContact CG-CE2 4.49Å; Y34-Y38 AromaticContact CZ-CD2 3.68Å; Y34-Y38 PolarHBondContact O-N 2.9Å; Y38-K40 PolarHBondContact O-N 2.86Å; Y38-F48 HydrophobicContact CE1-CZ 4.23Å; Y38-F48 HydrophobicContact CE2-CD1 4.25Å; Y38-F48 AromaticContact CE2-CE1 3.98Å; Y38-F48 HydrophobicContact CE2-CE1 3.98Å; Y38-F48 HydrophobicContact CE2-CZ 4.4Å; Y38-F48 AromaticContact CZ-CE1 3.62Å; Y38-F48 AromaticContact CZ-CZ 3.67Å; Y38-F48 WeakPolarHBondContact OH-CE1 3.43Å; Y38-F48 WeakPolarHBondContact OH-CZ 3.35Å
39R71.8Confident73.8Confident230 Ų23077.3 Ų77.387%0.86837%0.371SS*.  trans53.438.9-167.4-56.2-172.7179.6-167.7-0.7112.3R35R35-R39 WeakPolarHBondContact O-CA 3.32Å; R35-R39 PolarHBondContact O-N 3.18Å
40K72.9Confident74.3Confident121 Ų12179.3 Ų79.353%0.52638%0.378SS..  trans-118164.9178.9-71-173.5179.7-176.50111.5Y34 Y38Y34-K40 HydrophobicContact CE1-CB 4.11Å; Y38-K40 PolarHBondContact O-N 2.86Å
41S66.6Low74.6Confident76 Ų7677.1 Ų77.153%0.53137%0.372SS..  trans-66.8150.6-176.360.30000114.2K43S41-K43 VanDerWaalsContact C-N 3.33Å; S41-K43 PolarHBondContact O-N 2.78Å
42E65.4Low74.8Confident99 Ų9980 Ų8046%0.46339%0.392SS..G310 helixtrans-57.7-33.1-173.9-62.4177.3170.400115.2T31 R35 D44 A45T31-E42 HydrophobicContact CG2-CB 3.48Å; T31-E42 VanDerWaalsContact CG2-CB 3.48Å; T31-E42 HydrophobicContact CG2-CG 3.66Å; R35-E42 IonicContact CZ-OE1 2.77Å; R35-E42 IonicContact NH1-OE1 3.43Å; R35-E42 PolarHBondContact NH1-OE1 2.76Å; R35-E42 VanDerWaalsContact NH2-CD 3.28Å; R35-E42 IonicContact NH2-OE1 3.47Å; R35-E42 PolarHBondContact NH2-OE1 2.83Å; E42-D44 PolarHBondContact O-N 3Å; E42-A45 WeakPolarHBondContact O-CB 3.49Å; E42-A45 PolarHBondContact O-N 2.78Å
43K66.4Low75.1Confident193 Ų19382.4 Ų82.484%0.83940%0.396SS*.G310 helixtrans-60.6-21.7-174.2-90.8-177.1175.8174.60114.6S41S41-K43 VanDerWaalsContact C-N 3.33Å; S41-K43 PolarHBondContact O-N 2.78Å
44D67.7Low75.3Confident73 Ų7382.5 Ų82.539%0.3940%0.396SS..G310 helixtrans-96.3-12.2-176.6-67-32.4000113.7Y34 E42 A46 K47 F48Y34-D44 HydrophobicContact CE1-CB 4.06Å; E42-D44 PolarHBondContact O-N 3Å; D44-A46 PolarHBondContact O-N 2.79Å; D44-K47 PolarHBondContact O-N 2.94Å; D44-F48 WeakPolarHBondContact O-CB 3.46Å; D44-F48 PolarHBondContact O-N 3.22Å
45A73.6Confident75.4Confident2 Ų286 Ų862%0.01741%0.412CS..Hα-helixtrans-59.1-51.5-172.400000112.8T31 Y34 E42 K47 F48 Y49T31-A45 HydrophobicContact CG2-CB 4.35Å; Y34-A45 VanDerWaalsContact CB-CB 3.42Å; Y34-A45 HydrophobicContact CD1-CB 3.84Å; Y34-A45 HydrophobicContact CD2-CB 4.29Å; Y34-A45 HydrophobicContact CG-CB 3.59Å; E42-A45 WeakPolarHBondContact O-CB 3.49Å; E42-A45 PolarHBondContact O-N 2.78Å; A45-K47 PolarHBondContact O-N 3.01Å; A45-F48 PolarHBondContact O-N 2.84Å; A45-Y49 PolarHBondContact O-N 2.83Å
46A71.9Confident75.6Confident71 Ų7185.6 Ų85.659%0.58741%0.413SS*.Hα-helixtrans-64.8-38.5178.700000112.2D44 E50D44-A46 PolarHBondContact O-N 2.79Å; A46-E50 PolarHBondContact O-N 3.25Å
47K75.6Confident75.9Confident158 Ų15881 Ų8169%0.68739%0.389SS*.Hα-helixtrans-66.9-39.8176.6-80.2-178.6178.7173.20112D44 A45 T51D44-K47 PolarHBondContact O-N 2.94Å; A45-K47 PolarHBondContact O-N 3.01Å; K47-T51 WeakPolarHBondContact O-CG2 3.5Å; K47-T51 PolarHBondContact O-N 3.3Å
48F79Confident75.9Confident37 Ų3781.3 Ų81.316%0.16239%0.389CS..Hα-helixtrans-69.1-43-179.3-172.4-90.4000111.8F20 Y34 Y38 D44 A45 E50 T51 F54F20-F48 AromaticContact CD1-CD1 3.74Å; F20-F48 HydrophobicContact CD1-CD1 3.74Å; F20-F48 AromaticContact CD1-CE1 3.92Å; F20-F48 HydrophobicContact CD1-CE1 3.92Å; F20-F48 AromaticContact CE1-CD1 3.72Å; F20-F48 HydrophobicContact CE1-CD1 3.72Å; F20-F48 HydrophobicContact CE1-CE1 4.35Å; Y34-F48 HydrophobicContact CD2-CB 4.3Å; Y34-F48 HydrophobicContact CD2-CD1 4.27Å; Y34-F48 HydrophobicContact CD2-CG 4.45Å; Y34-F48 HydrophobicContact CE2-CB 3.46Å; Y34-F48 VanDerWaalsContact CE2-CB 3.46Å; Y34-F48 AromaticContact CE2-CD1 3.58Å; Y34-F48 HydrophobicContact CE2-CD1 3.58Å; Y34-F48 HydrophobicContact CE2-CD2 4.18Å; Y34-F48 HydrophobicContact CE2-CE1 4.36Å; Y34-F48 AromaticContact CE2-CG 3.46Å; Y34-F48 HydrophobicContact CE2-CG 3.46Å; Y34-F48 VanDerWaalsContact CE2-CG 3.46Å; Y38-F48 HydrophobicContact CE1-CZ 4.23Å; Y38-F48 HydrophobicContact CE2-CD1 4.25Å; Y38-F48 AromaticContact CE2-CE1 3.98Å; Y38-F48 HydrophobicContact CE2-CE1 3.98Å; Y38-F48 HydrophobicContact CE2-CZ 4.4Å; Y38-F48 AromaticContact CZ-CE1 3.62Å; Y38-F48 AromaticContact CZ-CZ 3.67Å; Y38-F48 WeakPolarHBondContact OH-CE1 3.43Å; Y38-F48 WeakPolarHBondContact OH-CZ 3.35Å; D44-F48 WeakPolarHBondContact O-CB 3.46Å; D44-F48 PolarHBondContact O-N 3.22Å; A45-F48 PolarHBondContact O-N 2.84Å; F48-E50 VanDerWaalsContact C-N 3.27Å; F48-E50 PolarHBondContact O-N 3.25Å; F48-T51 WeakPolarHBondContact O-CB 3.38Å; F48-T51 WeakPolarHBondContact O-CG2 3.33Å; F48-T51 PolarHBondContact O-N 3Å; F48-T51 PolarHBondContact O-OG1 2.86Å; F48-F54 HydrophobicContact CD1-CD2 4.09Å; F48-F54 HydrophobicContact CD1-CG 4.27Å; F48-F54 HydrophobicContact CE1-CB 4.26Å; F48-F54 AromaticContact CE1-CD2 3.41Å; F48-F54 HydrophobicContact CE1-CD2 3.41Å; F48-F54 VanDerWaalsContact CE1-CD2 3.41Å; F48-F54 AromaticContact CE1-CE2 3.91Å; F48-F54 HydrophobicContact CE1-CE2 3.91Å; F48-F54 AromaticContact CE1-CG 3.97Å; F48-F54 HydrophobicContact CE1-CG 3.97Å; F48-F54 HydrophobicContact CZ-CD2 4.29Å
49Y78.3Confident75.9Confident25 Ų2585.5 Ų85.510%0.09841%0.413CS..Hα-helixtrans-59.5-36.5177.4-168.3-87.6000112.6F20 C24 A45 T51 F54 L58F20-Y49 HydrophobicContact CE1-CD2 4.09Å; F20-Y49 HydrophobicContact CZ-CD2 4.19Å; C24-Y49 HydrophobicContact CB-CE2 4.03Å; A45-Y49 PolarHBondContact O-N 2.83Å; Y49-T51 VanDerWaalsContact C-N 3.27Å; Y49-T51 PolarHBondContact O-N 3.49Å; Y49-F54 AromaticContact CD2-CD1 3.87Å; Y49-F54 HydrophobicContact CD2-CD1 3.87Å; Y49-F54 AromaticContact CD2-CE1 3.52Å; Y49-F54 HydrophobicContact CD2-CE1 3.52Å; Y49-F54 HydrophobicContact CE2-CD1 4.3Å; Y49-F54 AromaticContact CE2-CE1 3.76Å; Y49-F54 HydrophobicContact CE2-CE1 3.76Å; Y49-F54 HydrophobicContact CG-CD1 4.26Å; Y49-F54 HydrophobicContact CG-CE1 4.36Å; Y49-L58 HydrophobicContact CE1-CD1 4.38Å; Y49-L58 HydrophobicContact CE2-CD1 4.14Å
50E79.3Confident76.2Confident118 Ų11875.9 Ų75.955%0.55138%0.38SS*.THydrogen-bonded Turntrans-80.1-1176-68.4-60150.900114A46 F48 K55A46-E50 PolarHBondContact O-N 3.25Å; F48-E50 VanDerWaalsContact C-N 3.27Å; F48-E50 PolarHBondContact O-N 3.25Å; E50-K55 IonicContact OE1-NZ 3.92Å; E50-K55 VanDerWaalsContact OE2-CE 3.29Å; E50-K55 WeakPolarHBondContact OE2-CE 3.28Å; E50-K55 IonicContact OE2-NZ 2.71Å; E50-K55 PolarHBondContact OE2-NZ 2.66Å
51T79.7Confident76.5Confident44 Ų4470.1 Ų70.127%0.2736%0.355SS..SBendtrans-67.7140.6177.461.20000111K47 F48 Y49 R53 F54 K55K47-T51 WeakPolarHBondContact O-CG2 3.5Å; K47-T51 PolarHBondContact O-N 3.3Å; F48-T51 WeakPolarHBondContact O-CB 3.38Å; F48-T51 WeakPolarHBondContact O-CG2 3.33Å; F48-T51 PolarHBondContact O-N 3Å; F48-T51 PolarHBondContact O-OG1 2.86Å; Y49-T51 VanDerWaalsContact C-N 3.27Å; Y49-T51 PolarHBondContact O-N 3.49Å; T51-R53 PolarHBondContact O-N 2.91Å; T51-F54 PolarHBondContact O-N 2.75Å; T51-F54 PolarHBondContact OG1-N 2.98Å; T51-K55 PolarHBondContact O-N 2.88Å
52P78.4Confident76.9Confident112 Ų11272 Ų7273%0.72736%0.355SS*.Hα-helixtrans-55.1-30.3175-25.833.1000113.1K56P52-K56 WeakPolarHBondContact O-CB 3.37Å; P52-K56 PolarHBondContact O-N 3.02Å; P52-K56 VanDerWaalsContact O-N 3.13Å
53R78.6Confident77.1Confident118 Ų11872.5 Ų72.545%0.44537%0.367SS..Hα-helixtrans-62.5-48.8174.6179.7-176167.7172.9-3.4111W10 D17 T51 K56 L57W10-R53 HydrophobicContact CH2-CB 4.45Å; W10-R53 HydrophobicContact CH2-CG 3.74Å; W10-R53 WeakPolarHBondContact CH2-O 3.37Å; W10-R53 HydrophobicContact CZ2-CG 4.08Å; W10-R53 WeakPolarHBondContact CZ3-O 3.47Å; D17-R53 IonicContact OD1-NH2 3.43Å; D17-R53 IonicContact OD2-CZ 3.71Å; D17-R53 VanDerWaalsContact OD2-CZ 3.28Å; D17-R53 IonicContact OD2-NE 2.96Å; D17-R53 PolarHBondContact OD2-NE 2.59Å; D17-R53 IonicContact OD2-NH2 3.37Å; D17-R53 PolarHBondContact OD2-NH2 3.08Å; T51-R53 PolarHBondContact O-N 2.91Å; R53-K56 PolarHBondContact O-N 2.88Å; R53-L57 PolarHBondContact O-N 2.61Å
54F82.7Confident77.2Confident1 Ų167.2 Ų67.20%0.00434%0.344CS..Hα-helixtrans-73.1-36.9-177.5-160.5-105.4000112.5D17 F20 A21 F48 Y49 T51 K56 L57 L58D17-F54 HydrophobicContact CB-CE2 4.46Å; D17-F54 VanDerWaalsContact O-CE2 3.31Å; D17-F54 WeakPolarHBondContact O-CE2 3.47Å; F20-F54 HydrophobicContact CB-CE2 4.09Å; F20-F54 HydrophobicContact CB-CZ 4.05Å; F20-F54 HydrophobicContact CD1-CD1 4.49Å; F20-F54 HydrophobicContact CD1-CD2 4.17Å; F20-F54 AromaticContact CD1-CE1 3.79Å; F20-F54 HydrophobicContact CD1-CE1 3.79Å; F20-F54 AromaticContact CD1-CE2 3.4Å; F20-F54 HydrophobicContact CD1-CE2 3.4Å; F20-F54 VanDerWaalsContact CD1-CE2 3.4Å; F20-F54 AromaticContact CD1-CZ 3.15Å; F20-F54 HydrophobicContact CD1-CZ 3.15Å; F20-F54 HydrophobicContact CE1-CD1 4.41Å; F20-F54 AromaticContact CE1-CE1 3.86Å; F20-F54 HydrophobicContact CE1-CE1 3.86Å; F20-F54 HydrophobicContact CE1-CE2 4.22Å; F20-F54 AromaticContact CE1-CZ 3.73Å; F20-F54 HydrophobicContact CE1-CZ 3.73Å; F20-F54 HydrophobicContact CG-CE2 4.15Å; F20-F54 AromaticContact CG-CZ 3.84Å; F20-F54 HydrophobicContact CG-CZ 3.84Å; A21-F54 HydrophobicContact CB-CE1 4.4Å; A21-F54 HydrophobicContact CB-CE2 4.21Å; A21-F54 HydrophobicContact CB-CZ 3.66Å; F48-F54 HydrophobicContact CD1-CD2 4.09Å; F48-F54 HydrophobicContact CD1-CG 4.27Å; F48-F54 HydrophobicContact CE1-CB 4.26Å; F48-F54 AromaticContact CE1-CD2 3.41Å; F48-F54 HydrophobicContact CE1-CD2 3.41Å; F48-F54 VanDerWaalsContact CE1-CD2 3.41Å; F48-F54 AromaticContact CE1-CE2 3.91Å; F48-F54 HydrophobicContact CE1-CE2 3.91Å; F48-F54 AromaticContact CE1-CG 3.97Å; F48-F54 HydrophobicContact CE1-CG 3.97Å; F48-F54 HydrophobicContact CZ-CD2 4.29Å; Y49-F54 AromaticContact CD2-CD1 3.87Å; Y49-F54 HydrophobicContact CD2-CD1 3.87Å; Y49-F54 AromaticContact CD2-CE1 3.52Å; Y49-F54 HydrophobicContact CD2-CE1 3.52Å; Y49-F54 HydrophobicContact CE2-CD1 4.3Å; Y49-F54 AromaticContact CE2-CE1 3.76Å; Y49-F54 HydrophobicContact CE2-CE1 3.76Å; Y49-F54 HydrophobicContact CG-CD1 4.26Å; Y49-F54 HydrophobicContact CG-CE1 4.36Å; T51-F54 PolarHBondContact O-N 2.75Å; T51-F54 PolarHBondContact OG1-N 2.98Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 3.4Å; F54-L57 HydrophobicContact CD2-CD2 4.24Å; F54-L57 HydrophobicContact CE2-CD2 4.06Å; F54-L57 WeakPolarHBondContact O-CA 3.45Å; F54-L57 WeakPolarHBondContact O-CB 3.22Å; F54-L57 PolarHBondContact O-N 3.34Å; F54-L58 HydrophobicContact CD1-CD1 3.99Å; F54-L58 HydrophobicContact CD1-CG 4.29Å; F54-L58 HydrophobicContact CE1-CD1 4.1Å; F54-L58 HydrophobicContact CE1-CD2 4.33Å; F54-L58 HydrophobicContact CE1-CG 4.2Å; F54-L58 PolarHBondContact O-N 3Å
55K81.8Confident77Confident85 Ų8566.6 Ų66.637%0.3736%0.355SS..Hα-helixtrans-56.3-46172-67.8-86.8-179.6173.40111.8E50 T51 L57 L58 D59E50-K55 IonicContact OE1-NZ 3.92Å; E50-K55 VanDerWaalsContact OE2-CE 3.29Å; E50-K55 WeakPolarHBondContact OE2-CE 3.28Å; E50-K55 IonicContact OE2-NZ 2.71Å; E50-K55 PolarHBondContact OE2-NZ 2.66Å; T51-K55 PolarHBondContact O-N 2.88Å; K55-L57 PolarHBondContact O-N 2.68Å; K55-L58 WeakPolarHBondContact O-CB 3.45Å; K55-L58 PolarHBondContact O-N 2.93Å; K55-L58 VanDerWaalsContact O-N 3.16Å; K55-D59 PolarHBondContact O-N 3.34Å
56K80.3Confident76.8Confident104 Ų10467.2 Ų67.245%0.45236%0.358SS..Hα-helixtrans-60.6-32.9175.1-174.4-179.6177.7-168.80112.6W10 P52 R53 F54 V60W10-K56 HydrophobicContact CD2-CD 4.5Å; W10-K56 HydrophobicContact CE3-CD 4.2Å; W10-K56 HydrophobicContact CE3-CG 4.18Å; W10-K56 HydrophobicContact CH2-CB 3.9Å; W10-K56 HydrophobicContact CH2-CD 3.83Å; W10-K56 HydrophobicContact CH2-CG 4.06Å; W10-K56 HydrophobicContact CZ2-CD 4.15Å; W10-K56 HydrophobicContact CZ3-CB 3.73Å; W10-K56 HydrophobicContact CZ3-CD 3.87Å; W10-K56 HydrophobicContact CZ3-CG 3.71Å; P52-K56 WeakPolarHBondContact O-CB 3.37Å; P52-K56 PolarHBondContact O-N 3.02Å; P52-K56 VanDerWaalsContact O-N 3.13Å; R53-K56 PolarHBondContact O-N 2.88Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-K56 PolarHBondContact O-N 3.4Å; K56-V60 VanDerWaalsContact O-CG2 3.32Å; K56-V60 WeakPolarHBondContact O-CG2 3.09Å; K56-V60 PolarHBondContact O-N 3.4Å
57L83Confident76.5Confident2 Ų265.2 Ų65.21%0.0134%0.344CS..Hα-helixtrans-70.5-41.4177.5177.661.2000110.8V6 W10 C13 D17 I18 A21 R53 F54 K55 D59 V60 L61V6-L57 HydrophobicContact CG1-CD1 3.86Å; W10-L57 HydrophobicContact CZ3-CB 4.02Å; C13-L57 WeakPolarHBondContact SG-CD1 3.44Å; D17-L57 HydrophobicContact CB-CD2 3.55Å; I18-L57 HydrophobicContact CG1-CD1 4.23Å; I18-L57 HydrophobicContact CG1-CD2 4.34Å; A21-L57 HydrophobicContact CB-CD2 4.49Å; R53-L57 PolarHBondContact O-N 2.61Å; F54-L57 HydrophobicContact CD2-CD2 4.24Å; F54-L57 HydrophobicContact CE2-CD2 4.06Å; F54-L57 WeakPolarHBondContact O-CA 3.45Å; F54-L57 WeakPolarHBondContact O-CB 3.22Å; F54-L57 PolarHBondContact O-N 3.34Å; K55-L57 PolarHBondContact O-N 2.68Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.82Å; L57-V60 PolarHBondContact O-N 2.89Å; L57-L61 HydrophobicContact CD1-CD1 3.99Å; L57-L61 HydrophobicContact CD1-CG 4.09Å; L57-L61 HydrophobicContact CD2-CD1 4.4Å; L57-L61 HydrophobicContact CG-CD1 3.79Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 2.81Å
58L81Confident75.5Confident16 Ų1663.2 Ų63.28%0.08434%0.34CS..Hα-helixtrans-58.8-43174.1-68.2165.9000111.1A21 Y49 F54 K55 V60 L61 E62A21-L58 HydrophobicContact CB-CD2 4.09Å; Y49-L58 HydrophobicContact CE1-CD1 4.38Å; Y49-L58 HydrophobicContact CE2-CD1 4.14Å; F54-L58 HydrophobicContact CD1-CD1 3.99Å; F54-L58 HydrophobicContact CD1-CG 4.29Å; F54-L58 HydrophobicContact CE1-CD1 4.1Å; F54-L58 HydrophobicContact CE1-CD2 4.33Å; F54-L58 HydrophobicContact CE1-CG 4.2Å; F54-L58 PolarHBondContact O-N 3Å; K55-L58 WeakPolarHBondContact O-CB 3.45Å; K55-L58 PolarHBondContact O-N 2.93Å; K55-L58 VanDerWaalsContact O-N 3.16Å; L58-V60 VanDerWaalsContact C-N 3.33Å; L58-V60 PolarHBondContact O-N 3.01Å; L58-L61 CarbonylContact O-C 3.46Å; L58-L61 PolarHBondContact O-N 2.82Å; L58-L61 VanDerWaalsContact O-N 3.07Å; L58-E62 PolarHBondContact O-N 2.83Å
59D79.4Confident74Confident110 Ų11064.7 Ų64.759%0.58835%0.353SS*.Hα-helixtrans-61.4-38175.9-61.8-21.4000112.6K55 L57 L61K55-D59 PolarHBondContact O-N 3.34Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.82Å; D59-L61 VanDerWaalsContact C-N 3.3Å
60V79.1Confident72.3Confident28 Ų2868.7 Ų68.717%0.1738%0.375CS..Hα-helixtrans-72.3-26.7176.5176.30000111.6V6 D9 K56 L57 L58 P63V6-V60 HydrophobicContact CB-CG1 4.36Å; V6-V60 HydrophobicContact CG1-CG1 4.23Å; V6-V60 HydrophobicContact CG2-CG1 4.06Å; D9-V60 HydrophobicContact CB-CG1 4.46Å; K56-V60 VanDerWaalsContact O-CG2 3.32Å; K56-V60 WeakPolarHBondContact O-CG2 3.09Å; K56-V60 PolarHBondContact O-N 3.4Å; L57-V60 PolarHBondContact O-N 2.89Å; L58-V60 VanDerWaalsContact C-N 3.33Å; L58-V60 PolarHBondContact O-N 3.01Å; V60-P63 WeakPolarHBondContact O-CD 3.16Å
61L79Confident70.6Confident0 Ų070.3 Ų70.30%039%0.388CS..Hα-helixtrans-88.9-15.8-179-71.4175.4000113.7I2 V6 A21 L57 L58 D59 P63 F64 I66I2-L61 HydrophobicContact CG2-CD2 3.34Å; V6-L61 HydrophobicContact CG2-CD2 3.5Å; V6-L61 VanDerWaalsContact CG2-CD2 3.5Å; V6-L61 HydrophobicContact CG2-CG 4.33Å; A21-L61 HydrophobicContact CB-CD1 3.56Å; L57-L61 HydrophobicContact CD1-CD1 3.99Å; L57-L61 HydrophobicContact CD1-CG 4.09Å; L57-L61 HydrophobicContact CD2-CD1 4.4Å; L57-L61 HydrophobicContact CG-CD1 3.79Å; L57-L61 HydrophobicContact CG-CG 4.32Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 2.81Å; L58-L61 CarbonylContact O-C 3.46Å; L58-L61 PolarHBondContact O-N 2.82Å; L58-L61 VanDerWaalsContact O-N 3.07Å; D59-L61 VanDerWaalsContact C-N 3.3Å; L61-P63 VanDerWaalsContact C-N 3.34Å; L61-F64 HydrophobicContact CD2-CD2 4.3Å; L61-F64 WeakPolarHBondContact O-CA 3.41Å; L61-F64 WeakPolarHBondContact O-CB 3.5Å; L61-F64 PolarHBondContact O-N 2.76Å; L61-I66 CarbonylContact C-O 3.51Å; L61-I66 HydrophobicContact CB-CB 4.02Å; L61-I66 HydrophobicContact CB-CG2 4.18Å; L61-I66 HydrophobicContact CD1-CG2 4.24Å; L61-I66 HydrophobicContact CD2-CD1 4.37Å
62E74.1Confident68.7Low115 Ų11574.9 Ų74.954%0.53741%0.411SS..G310 helixtrans-50.4-42.3179.3-168.5-175-166.900113.8L58 F64 G65 I66L58-E62 PolarHBondContact O-N 2.83Å; E62-F64 PolarHBondContact O-N 3.48Å; E62-F64 VanDerWaalsContact O-N 3.12Å; E62-G65 PolarHBondContact O-N 2.65Å; E62-I66 WeakPolarHBondContact CA-O 3.31Å; E62-I66 PolarHBondContact N-O 3.2Å
63P70.3Confident66.8Low110 Ų11073.3 Ų73.371%0.71441%0.407SS*.G310 helixtrans-63.5-18.8177-20.733.4000114.3V60 L61 G65V60-P63 WeakPolarHBondContact O-CD 3.16Å; L61-P63 VanDerWaalsContact C-N 3.34Å; P63-G65 VanDerWaalsContact C-N 3.32Å
64F69.3Low65.3Low83 Ų8372.1 Ų72.136%0.36441%0.409SS..G310 helixtrans-91.24.3175.5-55.9-79.4000112.8I2 L61 E62 I66I2-F64 HydrophobicContact CD1-CB 4.38Å; I2-F64 HydrophobicContact CG1-CB 4.44Å; I2-F64 HydrophobicContact CG1-CD1 3.97Å; I2-F64 HydrophobicContact CG1-CG 4.14Å; I2-F64 HydrophobicContact CG2-CD2 4.5Å; L61-F64 HydrophobicContact CD2-CD2 4.3Å; L61-F64 WeakPolarHBondContact O-CA 3.41Å; L61-F64 WeakPolarHBondContact O-CB 3.5Å; L61-F64 PolarHBondContact O-N 2.76Å; E62-F64 PolarHBondContact O-N 3.48Å; E62-F64 VanDerWaalsContact O-N 3.12Å; F64-I66 HydrophobicContact CB-CD1 4.34Å
65G63.2Low63.6Low59 Ų5975.7 Ų75.761%0.60843%0.43SS*.THydrogen-bonded Turntrans82.612.7-179.600000114.6E62 P63E62-G65 PolarHBondContact O-N 2.65Å; P63-G65 VanDerWaalsContact C-N 3.32Å
66I69.8Low62.2Low16 Ų1678.2 Ų78.28%0.08244%0.442CS..  trans-104.3125.5-179.7-61.5158000108.4I2 A21 I22 D25 L61 E62 F64I2-I66 HydrophobicContact CD1-CD1 3.92Å; A21-I66 HydrophobicContact CB-CG2 4.39Å; I22-I66 HydrophobicContact CD1-CD1 4.39Å; I22-I66 HydrophobicContact CG1-CD1 3.68Å; D25-I66 HydrophobicContact CB-CG2 4.42Å; L61-I66 CarbonylContact C-O 3.51Å; L61-I66 HydrophobicContact CB-CB 4.02Å; L61-I66 HydrophobicContact CB-CG2 4.18Å; L61-I66 HydrophobicContact CD1-CG2 4.24Å; L61-I66 HydrophobicContact CD2-CD1 4.37Å; E62-I66 WeakPolarHBondContact CA-O 3.31Å; E62-I66 PolarHBondContact N-O 3.2Å; F64-I66 HydrophobicContact CB-CD1 4.34Å
67G64Low61.2Low28 Ų2878.1 Ų78.129%0.28944%0.443SS..SBendtrans125.7-4.4172.500000117D25D25-G67 PolarHBondContact OD1-N 2.87Å
68N55Low60.1Low116 Ų11682.8 Ų82.862%0.6246%0.464SS*.  trans-104.786173-105.6-25.4000110.2N70N68-N70 PolarHBondContact O-N 3Å; N68-N70 PolarHBondContact O-OD1 3.14Å
69V47.4Very low58.9Low69 Ų6986 Ų8642%0.41848%0.482SS..  trans-83.991.7171.9-173.30000108.1
70N43.7Very low58.4Low108 Ų10883.2 Ų83.258%0.57846%0.464SS*.  trans-81.8120.4171.5-45.3-5000105.9N68 N72N68-N70 PolarHBondContact O-N 3Å; N68-N70 PolarHBondContact O-OD1 3.14Å; N70-N72 PolarHBondContact O-N 3.2Å
71N41.8Very low57.9Low153 Ų15385.4 Ų85.482%0.81848%0.475SS*.  trans-64.825.8-178.6-76.4-14.8000115.1A73N71-A73 PolarHBondContact O-N 3.41Å
72N41Very low57.5Low140 Ų14089.3 Ų89.375%0.74949%0.493SS*.SBendtrans-89.6102.9172.2-68.3-6000106.9N70 I74N70-N72 PolarHBondContact O-N 3.2Å; N72-I74 PolarHBondContact O-N 2.84Å
73A38.6Very low57.2Low78 Ų7885.2 Ų85.265%0.64548%0.475SS*.  trans-41.7122.2178.600000111.6N71 T75N71-A73 PolarHBondContact O-N 3.41Å; A73-T75 PolarHBondContact O-N 2.87Å
74I45.7Very low57.4Low94 Ų9483 Ų8348%0.48246%0.457SS..  trans-59.6121.1173-81.4173.9000108.1N72 E78 N79N72-I74 PolarHBondContact O-N 2.84Å; I74-E78 HydrophobicContact CG2-CB 3.88Å; I74-N79 HydrophobicContact CG2-CB 3.92Å
75T47.7Very low57.7Low75 Ų7584.1 Ų84.146%0.4646%0.462SS..  trans-69.2155.4178.959.60000110.8A73 E77 E78 N79A73-T75 PolarHBondContact O-N 2.87Å; T75-E77 PolarHBondContact O-N 2.85Å; T75-E77 VanDerWaalsContact O-N 3.1Å; T75-E78 PolarHBondContact N-OE2 2.94Å; T75-E78 PolarHBondContact O-N 2.87Å; T75-E78 WeakPolarHBondContact OG1-CG 3.43Å; T75-E78 PolarHBondContact OG1-N 2.56Å; T75-E78 PolarHBondContact OG1-OE2 2.83Å; T75-N79 PolarHBondContact O-N 3.23Å
76K53.3Low58.1Low139 Ų13986.1 Ų86.160%0.60446%0.456SS*.Hα-helixtrans-51.4-35.6176.1-166.5179.1-180-177.40111.6K80 F119K76-K80 PolarHBondContact O-N 2.8Å; K76-F119 HydrophobicContact CG-CD1 4.01Å; K76-F119 HydrophobicContact CG-CE1 3.85Å; K76-F119 VanDerWaalsContact O-CE1 3.29Å; K76-F119 WeakPolarHBondContact O-CE1 3.43Å
77E59.7Low58.3Low102 Ų10286.3 Ų86.348%0.47746%0.457SS..Hα-helixtrans-73.7-35.3179-156.462.7-154.800113.1T75 K80 N81T75-E77 PolarHBondContact O-N 2.85Å; T75-E77 VanDerWaalsContact O-N 3.1Å; E77-K80 IonicContact OE1-NZ 2.65Å; E77-K80 PolarHBondContact OE1-NZ 2.94Å; E77-K80 IonicContact OE2-NZ 2.74Å; E77-N81 PolarHBondContact O-N 2.88Å; E77-N81 VanDerWaalsContact O-N 3.09Å; E77-N81 PolarHBondContact O-ND2 2.83Å
78E59.8Low59Low100 Ų10090.2 Ų90.247%0.46747%0.472SS..Hα-helixtrans-67.2-41174.2-77.4166.1141.500111.5I74 T75 K80 N81 E82I74-E78 HydrophobicContact CG2-CB 3.88Å; T75-E78 PolarHBondContact N-OE2 2.94Å; T75-E78 PolarHBondContact O-N 2.87Å; T75-E78 WeakPolarHBondContact OG1-CG 3.43Å; T75-E78 PolarHBondContact OG1-N 2.56Å; T75-E78 PolarHBondContact OG1-OE2 2.83Å; E78-K80 PolarHBondContact O-N 2.98Å; E78-N81 PolarHBondContact O-N 2.88Å; E78-E82 PolarHBondContact O-N 3.27Å
79N55.8Low60.1Low83 Ų8391.3 Ų91.344%0.44447%0.471SS..Hα-helixtrans-63.9-40178-126.6-16.4000112.1I74 T75 E82 L83 F119I74-N79 HydrophobicContact CG2-CB 3.92Å; T75-N79 PolarHBondContact O-N 3.23Å; N79-E82 PolarHBondContact O-N 2.94Å; N79-L83 PolarHBondContact O-N 2.82Å; N79-F119 HydrophobicContact CB-CE1 4.41Å; N79-F119 HydrophobicContact CB-CZ 4.14Å
80K67.5Low61.4Low51 Ų5188.9 Ų88.922%0.22246%0.455CS..Hα-helixtrans-60.8-45.1171.9173.8-177160.2-159.80111.9K76 E77 E78 E82 L83 L84 F119K76-K80 PolarHBondContact O-N 2.8Å; E77-K80 IonicContact OE1-NZ 2.65Å; E77-K80 PolarHBondContact OE1-NZ 2.94Å; E77-K80 IonicContact OE2-NZ 2.74Å; E78-K80 PolarHBondContact O-N 2.98Å; K80-E82 VanDerWaalsContact C-N 3.32Å; K80-E82 PolarHBondContact O-N 2.93Å; K80-L83 PolarHBondContact O-N 3.15Å; K80-L84 HydrophobicContact CG-CD1 4.33Å; K80-L84 WeakPolarHBondContact O-CG 3.49Å; K80-L84 PolarHBondContact O-N 2.91Å; K80-L84 VanDerWaalsContact O-N 3.16Å; K80-F119 HydrophobicContact CB-CD1 3.86Å; K80-F119 HydrophobicContact CB-CE1 3.84Å; K80-F119 HydrophobicContact CB-CG 4.34Å; K80-F119 HydrophobicContact CB-CZ 4.29Å; K80-F119 HydrophobicContact CG-CD1 4.48Å
81N69.8Low63Low75 Ų7587.1 Ų87.140%0.40145%0.446SS..Hα-helixtrans-65.6-32.6179.5-78.8-35.2000112.9E77 E78 L84 K85E77-N81 PolarHBondContact O-N 2.88Å; E77-N81 VanDerWaalsContact O-N 3.09Å; E77-N81 PolarHBondContact O-ND2 2.83Å; E78-N81 PolarHBondContact O-N 2.88Å; N81-L84 PolarHBondContact O-N 2.9Å; N81-K85 WeakPolarHBondContact O-CG 3.41Å; N81-K85 PolarHBondContact O-N 2.9Å
82E70Confident64.7Low81 Ų8185.7 Ų85.738%0.37943%0.434SS..Hα-helixtrans-70.9-39.5175.4-79.1-54.5138.700113.2E78 N79 K80 L84 K85 M86E78-E82 PolarHBondContact O-N 3.27Å; N79-E82 PolarHBondContact O-N 2.94Å; K80-E82 VanDerWaalsContact C-N 3.32Å; K80-E82 PolarHBondContact O-N 2.93Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 2.77Å; E82-K85 PolarHBondContact O-N 2.77Å; E82-K85 WeakPolarHBondContact OE1-CD 3.38Å; E82-K85 IonicContact OE1-NZ 2.9Å; E82-K85 PolarHBondContact OE1-NZ 2.64Å; E82-M86 PolarHBondContact O-N 3.09Å
83L67Low66.1Low30 Ų3080.2 Ų80.216%0.15741%0.409CS..Hα-helixtrans-62.6-37.5173.2-73.5168.2000112N79 K80 M86 L87 I111 L115 F119N79-L83 PolarHBondContact O-N 2.82Å; K80-L83 PolarHBondContact O-N 3.15Å; L83-M86 PolarHBondContact O-N 3.41Å; L83-L87 PolarHBondContact O-N 3.15Å; L83-I111 HydrophobicContact CB-CG2 4.31Å; L83-I111 HydrophobicContact CD2-CG2 4.18Å; L83-L115 HydrophobicContact CB-CD1 4.4Å; L83-L115 HydrophobicContact CB-CD2 3.8Å; L83-L115 HydrophobicContact CB-CG 4.09Å; L83-L115 HydrophobicContact CD1-CD2 3.96Å; L83-L115 HydrophobicContact CD1-CG 4.28Å; L83-F119 HydrophobicContact CD1-CD2 4.32Å; L83-F119 HydrophobicContact CD1-CE2 3.44Å; L83-F119 VanDerWaalsContact CD1-CE2 3.44Å; L83-F119 HydrophobicContact CD1-CZ 4.11Å
84L75.2Confident67.5Low63 Ų6379.5 Ų79.533%0.3339%0.394SS..Hα-helixtrans-64.8-43.3173.9-72.7167.8000112K80 N81 E82 M86 L87 D88 L115K80-L84 HydrophobicContact CG-CD1 4.33Å; K80-L84 WeakPolarHBondContact O-CG 3.49Å; K80-L84 PolarHBondContact O-N 2.91Å; K80-L84 VanDerWaalsContact O-N 3.16Å; N81-L84 PolarHBondContact O-N 2.9Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 2.77Å; L84-M86 VanDerWaalsContact C-N 3.32Å; L84-M86 PolarHBondContact O-N 2.93Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 2.94Å; L84-D88 PolarHBondContact O-N 3.19Å; L84-L115 HydrophobicContact CD2-CD1 4.26Å
85K75.1Confident68.6Low107 Ų10779.8 Ų79.847%0.46540%0.404SS..Hα-helixtrans-62.9-34.9174.4-76178.8-168.6164.90113.1N81 E82 L87 D88 K89N81-K85 WeakPolarHBondContact O-CG 3.41Å; N81-K85 PolarHBondContact O-N 2.9Å; E82-K85 PolarHBondContact O-N 2.77Å; E82-K85 WeakPolarHBondContact OE1-CD 3.38Å; E82-K85 IonicContact OE1-NZ 2.9Å; E82-K85 PolarHBondContact OE1-NZ 2.64Å; K85-L87 VanDerWaalsContact C-N 3.31Å; K85-D88 PolarHBondContact O-N 2.91Å; K85-K89 PolarHBondContact O-N 2.97Å
86M72.4Confident69.7Low100 Ų10081.3 Ų81.349%0.49341%0.41SS..Hα-helixtrans-64.1-38.5174.7-77-171.1171.700111.6E82 L83 L84 K89 I90 I111E82-M86 PolarHBondContact O-N 3.09Å; L83-M86 PolarHBondContact O-N 3.41Å; L84-M86 VanDerWaalsContact C-N 3.32Å; L84-M86 PolarHBondContact O-N 2.93Å; M86-K89 PolarHBondContact O-N 3.3Å; M86-I90 WeakPolarHBondContact O-CG1 3.3Å; M86-I90 PolarHBondContact O-N 2.82Å; M86-I111 HydrophobicContact CB-CD1 3.79Å
87L74Confident70.2Confident21 Ų2177.8 Ų77.811%0.1141%0.412CS..Hα-helixtrans-59.9-47.1175-138.489.4000111L83 L84 K85 K89 I90 D91 Q108 I111 R112L83-L87 PolarHBondContact O-N 3.15Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 2.94Å; K85-L87 VanDerWaalsContact C-N 3.31Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 2.87Å; L87-I90 PolarHBondContact O-N 2.81Å; L87-D91 PolarHBondContact O-N 2.82Å; L87-Q108 HydrophobicContact CD1-CG 4.49Å; L87-I111 HydrophobicContact CD1-CB 3.83Å; L87-I111 HydrophobicContact CD1-CG2 3.54Å; L87-R112 HydrophobicContact CD1-CG 4.15Å
88D78.1Confident70.6Confident110 Ų11079 Ų7959%0.58842%0.422SS*.Hα-helixtrans-59.6-40.9176.2-77.6-19.9000112.2L84 K85 D91 Q92L84-D88 PolarHBondContact O-N 3.19Å; K85-D88 PolarHBondContact O-N 2.91Å; D88-D91 PolarHBondContact O-N 2.84Å; D88-Q92 WeakPolarHBondContact O-CB 3.29Å; D88-Q92 PolarHBondContact O-N 2.82Å
89K79.2Confident70.2Confident138 Ų13876.1 Ų76.160%0.641%0.41SS*.Hα-helixtrans-66.1-36.8176.7-78-179.9180172.10112.8K85 M86 L87 Q92 A93K85-K89 PolarHBondContact O-N 2.97Å; M86-K89 PolarHBondContact O-N 3.3Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 2.87Å; K89-Q92 PolarHBondContact O-N 3.36Å; K89-A93 WeakPolarHBondContact O-CB 3.24Å; K89-A93 PolarHBondContact O-N 2.81Å
90I74.2Confident71Confident19 Ų1978.6 Ų78.610%0.09742%0.418CS..Hα-helixtrans-67.1-43.4175.9-68.9159.8000110.1M86 L87 Q92 A93 L94 L99 A104 M107 Q108 I111M86-I90 WeakPolarHBondContact O-CG1 3.3Å; M86-I90 PolarHBondContact O-N 2.82Å; L87-I90 PolarHBondContact O-N 2.81Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 2.8Å; I90-A93 PolarHBondContact O-N 2.86Å; I90-L94 WeakPolarHBondContact O-CB 3.09Å; I90-L94 PolarHBondContact O-N 2.93Å; I90-L99 HydrophobicContact CG2-CD2 3.86Å; I90-A104 HydrophobicContact CG2-CB 3.99Å; I90-M107 HydrophobicContact CD1-CB 3.74Å; I90-M107 HydrophobicContact CG1-CB 4.44Å; I90-Q108 HydrophobicContact CG2-CG 3.83Å; I90-I111 HydrophobicContact CD1-CD1 3.41Å; I90-I111 VanDerWaalsContact CD1-CD1 3.41Å
91D77.3Confident71.1Confident70 Ų7080 Ų8037%0.37443%0.433SS..Hα-helixtrans-60.9-40.4174-83.4-37.5000111.6L87 D88 L94 S95 Q108L87-D91 PolarHBondContact O-N 2.82Å; D88-D91 PolarHBondContact O-N 2.84Å; D91-L94 PolarHBondContact O-N 2.87Å; D91-S95 WeakPolarHBondContact O-CB 3.41Å; D91-S95 PolarHBondContact O-N 2.85Å; D91-Q108 VanDerWaalsContact CG-NE2 3.32Å; D91-Q108 PolarHBondContact OD1-NE2 3.49Å
92Q77.4Confident70.6Confident123 Ų12384.3 Ų84.358%0.57545%0.448SS*.Hα-helixtrans-67-43.7176.8-155.7168.622.400111.8D88 K89 I90 L94 S95 D96D88-Q92 WeakPolarHBondContact O-CB 3.29Å; D88-Q92 PolarHBondContact O-N 2.82Å; K89-Q92 PolarHBondContact O-N 3.36Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 2.8Å; Q92-L94 PolarHBondContact O-N 3.19Å; Q92-S95 PolarHBondContact O-N 3.45Å; Q92-D96 WeakPolarHBondContact O-CB 3.34Å; Q92-D96 PolarHBondContact O-N 2.77Å
93A70.2Confident70.4Confident26 Ų2684 Ų8422%0.21545%0.449CS..Hα-helixtrans-65.6-36176.200000112.8K89 I90 G97 N98 L99K89-A93 WeakPolarHBondContact O-CB 3.24Å; K89-A93 PolarHBondContact O-N 2.81Å; I90-A93 PolarHBondContact O-N 2.86Å; A93-G97 PolarHBondContact O-N 2.8Å; A93-N98 HydrophobicContact CB-CB 4.44Å; A93-N98 PolarHBondContact O-N 3.17Å; A93-L99 HydrophobicContact CB-CB 4.08Å; A93-L99 PolarHBondContact O-N 3.22Å
94L67.5Low70.8Confident62 Ų6282.5 Ų82.533%0.32544%0.441SS..Hα-helixtrans-64.9-44.7171.4-179.267.4000111I90 D91 Q92 D96 G97 L99 P101 A104I90-L94 WeakPolarHBondContact O-CB 3.09Å; I90-L94 PolarHBondContact O-N 2.93Å; D91-L94 PolarHBondContact O-N 2.87Å; Q92-L94 PolarHBondContact O-N 3.19Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 2.81Å; L94-G97 PolarHBondContact O-N 3.29Å; L94-L99 WeakPolarHBondContact CD1-O 3.48Å; L94-P101 HydrophobicContact CD1-CB 4.14Å; L94-P101 HydrophobicContact CD1-CG 4.11Å; L94-A104 HydrophobicContact CB-CB 4.09Å; L94-A104 HydrophobicContact CD1-CB 3.75Å; L94-A104 HydrophobicContact CD2-CB 4.07Å; L94-A104 HydrophobicContact CG-CB 4.18Å
95S69Low70.5Confident101 Ų10184.7 Ų84.771%0.70645%0.453SS*.Hα-helixtrans-65.5-34.8177.9-173.10000112.9D91 Q92 G97D91-S95 WeakPolarHBondContact O-CB 3.41Å; D91-S95 PolarHBondContact O-N 2.85Å; Q92-S95 PolarHBondContact O-N 3.45Å; S95-G97 PolarHBondContact O-N 3.29Å
96D71.7Confident70Confident107 Ų10786.3 Ų86.357%0.57246%0.46SS*.THydrogen-bonded Turntrans-79.2-5.5177.5-67.8-17.7000112.4Q92 L94 N98Q92-D96 WeakPolarHBondContact O-CB 3.34Å; Q92-D96 PolarHBondContact O-N 2.77Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 2.81Å; D96-N98 VanDerWaalsContact C-N 3.26Å; D96-N98 WeakPolarHBondContact CB-ND2 3.42Å; D96-N98 PolarHBondContact O-N 2.91Å
97G63.2Low70.1Confident64 Ų6485.9 Ų85.966%0.6646%0.458SS*.THydrogen-bonded Turntrans73.813.6-177.300000114.3A93 L94 S95A93-G97 PolarHBondContact O-N 2.8Å; L94-G97 PolarHBondContact O-N 3.29Å; S95-G97 PolarHBondContact O-N 3.29Å
98N69.3Low70.2Confident128 Ų12885.9 Ų85.968%0.68446%0.457SS*.SBendtrans-83.4-13.2179.3-68.4-38.4000113.1A93 D96A93-N98 HydrophobicContact CB-CB 4.44Å; A93-N98 PolarHBondContact O-N 3.17Å; D96-N98 VanDerWaalsContact C-N 3.26Å; D96-N98 WeakPolarHBondContact CB-ND2 3.42Å; D96-N98 PolarHBondContact O-N 2.91Å
99L51.4Low69.6Low39 Ų3984.1 Ų84.120%0.20445%0.45CS..SBendtrans-130.5128.9-180-154.673.3000109.7I90 A93 L94 D103 A104 M107I90-L99 HydrophobicContact CG2-CD2 3.86Å; A93-L99 HydrophobicContact CB-CB 4.08Å; A93-L99 PolarHBondContact O-N 3.22Å; L94-L99 WeakPolarHBondContact CD1-O 3.48Å; L99-D103 HydrophobicContact CG-CB 4.46Å; L99-A104 HydrophobicContact CD2-CB 3.68Å; L99-A104 HydrophobicContact CG-CB 4.3Å; L99-M107 HydrophobicContact CD1-CE 4.41Å; L99-M107 HydrophobicContact CD1-SD 4.37Å; L99-M107 HydrophobicContact CD2-SD 3.92Å
100E71.1Confident69.1Low135 Ų13582.1 Ų82.163%0.63145%0.446SS*.  trans-62.9140.7175.9-79.8-78.4147.900110.4K102 D103 A104E100-K102 PolarHBondContact O-N 3.44Å; E100-K102 VanDerWaalsContact O-N 3.11Å; E100-D103 HydrophobicContact CB-CB 4.49Å; E100-D103 PolarHBondContact O-N 2.99Å; E100-A104 PolarHBondContact O-N 2.95Å
101P70.8Confident69Low81 Ų8182.2 Ų82.253%0.52645%0.447SS..Hα-helixtrans-54.8-35.6-176.5-26.233.1000114.4L94 L105L94-P101 HydrophobicContact CD1-CB 4.14Å; L94-P101 HydrophobicContact CD1-CG 4.11Å; P101-L105 VanDerWaalsContact O-CB 3.29Å; P101-L105 WeakPolarHBondContact O-CB 3.21Å; P101-L105 PolarHBondContact O-N 3.32Å
102K59.5Low68.8Low165 Ų16585.2 Ų85.272%0.71745%0.453SS*.Hα-helixtrans-65.4-42.3176.8175.5-178.7173.4-177.60112.1E100 K106E100-K102 PolarHBondContact O-N 3.44Å; E100-K102 VanDerWaalsContact O-N 3.11Å; K102-K106 WeakPolarHBondContact O-CB 3.42Å; K102-K106 PolarHBondContact O-N 3.27Å
103D65.7Low68Low74 Ų7482.9 Ų82.940%0.39645%0.447SS..Hα-helixtrans-75.5-39.1-178-66.3-28.7000110.5L99 E100 L105 K106 M107L99-D103 HydrophobicContact CG-CB 4.46Å; E100-D103 HydrophobicContact CB-CB 4.49Å; E100-D103 PolarHBondContact O-N 2.99Å; D103-L105 PolarHBondContact O-N 2.81Å; D103-K106 PolarHBondContact O-N 2.87Å; D103-M107 WeakPolarHBondContact O-CB 3.36Å; D103-M107 VanDerWaalsContact O-CG 3.28Å; D103-M107 WeakPolarHBondContact O-CG 3.26Å; D103-M107 PolarHBondContact O-N 2.98Å
104A73.9Confident67.8Low0 Ų088 Ų880%046%0.464CS..Hα-helixtrans-57.5-48.4171.200000111.7I90 L94 L99 E100 K106 M107 Q108I90-A104 HydrophobicContact CG2-CB 3.99Å; L94-A104 HydrophobicContact CB-CB 4.09Å; L94-A104 HydrophobicContact CD1-CB 3.75Å; L94-A104 HydrophobicContact CD2-CB 4.07Å; L94-A104 HydrophobicContact CG-CB 4.18Å; L99-A104 HydrophobicContact CD2-CB 3.68Å; L99-A104 HydrophobicContact CG-CB 4.3Å; E100-A104 PolarHBondContact O-N 2.95Å; A104-K106 VanDerWaalsContact C-N 3.35Å; A104-K106 PolarHBondContact O-N 3.15Å; A104-M107 PolarHBondContact O-N 2.81Å; A104-Q108 WeakPolarHBondContact O-CB 3.39Å; A104-Q108 VanDerWaalsContact O-CG 3.26Å; A104-Q108 WeakPolarHBondContact O-CG 3.03Å; A104-Q108 PolarHBondContact O-N 2.87Å
105L69.1Low67.8Low109 Ų10985.5 Ų85.557%0.57145%0.451SS*.Hα-helixtrans-59.9-45.9177.9-175.567.7000111.2P101 D103 Q108 T109P101-L105 VanDerWaalsContact O-CB 3.29Å; P101-L105 WeakPolarHBondContact O-CB 3.21Å; P101-L105 PolarHBondContact O-N 3.32Å; D103-L105 PolarHBondContact O-N 2.81Å; L105-Q108 PolarHBondContact O-N 2.9Å; L105-T109 PolarHBondContact O-N 3.34Å; L105-T109 PolarHBondContact O-OG1 2.64Å
106K65.6Low67.4Low141 Ų14184.7 Ų84.761%0.61344%0.439SS*.Hα-helixtrans-63.1-45.2179.6-163.2179.5-177.4-175.10111.9K102 D103 A104 T109 D110K102-K106 WeakPolarHBondContact O-CB 3.42Å; K102-K106 PolarHBondContact O-N 3.27Å; D103-K106 PolarHBondContact O-N 2.87Å; A104-K106 VanDerWaalsContact C-N 3.35Å; A104-K106 PolarHBondContact O-N 3.15Å; K106-T109 PolarHBondContact O-N 2.89Å; K106-D110 PolarHBondContact O-N 2.78Å
107M74.3Confident66.8Low90 Ų9086 Ų8644%0.44345%0.446SS..Hα-helixtrans-63.8-39.8176.7-69.4179.7178.700112.2I90 L99 D103 A104 D110 I111I90-M107 HydrophobicContact CD1-CB 3.74Å; I90-M107 HydrophobicContact CG1-CB 4.44Å; L99-M107 HydrophobicContact CD1-CE 4.41Å; L99-M107 HydrophobicContact CD1-SD 4.37Å; L99-M107 HydrophobicContact CD2-SD 3.92Å; D103-M107 WeakPolarHBondContact O-CB 3.36Å; D103-M107 VanDerWaalsContact O-CG 3.28Å; D103-M107 WeakPolarHBondContact O-CG 3.26Å; D103-M107 PolarHBondContact O-N 2.98Å; A104-M107 PolarHBondContact O-N 2.81Å; M107-D110 PolarHBondContact O-N 3.47Å; M107-I111 WeakPolarHBondContact O-CG1 3.49Å; M107-I111 PolarHBondContact O-N 3.03Å; M107-I111 VanDerWaalsContact O-N 3.09Å
108Q76.9Confident66.9Low21 Ų2190.7 Ų90.710%0.09845%0.448CS..Hα-helixtrans-64-42174.8-76.1179.2-5.500112.2L87 I90 D91 A104 L105 R112L87-Q108 HydrophobicContact CD1-CG 4.49Å; I90-Q108 HydrophobicContact CG2-CG 3.83Å; D91-Q108 VanDerWaalsContact CG-NE2 3.32Å; D91-Q108 PolarHBondContact OD1-NE2 3.49Å; A104-Q108 WeakPolarHBondContact O-CB 3.39Å; A104-Q108 VanDerWaalsContact O-CG 3.26Å; A104-Q108 WeakPolarHBondContact O-CG 3.03Å; A104-Q108 PolarHBondContact O-N 2.87Å; L105-Q108 PolarHBondContact O-N 2.9Å; Q108-R112 WeakPolarHBondContact O-CB 3.23Å; Q108-R112 VanDerWaalsContact O-CG 3.26Å; Q108-R112 WeakPolarHBondContact O-CG 3.33Å; Q108-R112 PolarHBondContact O-N 3.1Å
109T64.2Low66.7Low73 Ų7386.2 Ų86.245%0.44842%0.423SS..Hα-helixtrans-61-48.7175.9-610000110.8L105 K106 I111 R112 V113L105-T109 PolarHBondContact O-N 3.34Å; L105-T109 PolarHBondContact O-OG1 2.64Å; K106-T109 PolarHBondContact O-N 2.89Å; T109-I111 PolarHBondContact O-N 3.22Å; T109-R112 PolarHBondContact O-N 2.73Å; T109-V113 HydrophobicContact CG2-CG2 4.4Å; T109-V113 VanDerWaalsContact O-CG2 3.31Å; T109-V113 WeakPolarHBondContact O-CG2 3.46Å; T109-V113 PolarHBondContact O-N 2.66Å
110D68.8Low66.9Low97 Ų9792.2 Ų92.252%0.51945%0.45SS..Hα-helixtrans-62.4-41.6-179.5-79.7-7.4000112.7K106 M107 K114K106-D110 PolarHBondContact O-N 2.78Å; M107-D110 PolarHBondContact O-N 3.47Å; D110-K114 PolarHBondContact O-N 3.28Å
111I71.4Confident65.9Low21 Ų2188.7 Ų88.711%0.10843%0.434CS..Hα-helixtrans-66.6-40.9176.8-68.1174.2000111L83 M86 L87 I90 M107 T109 K114 L115L83-I111 HydrophobicContact CB-CG2 4.31Å; L83-I111 HydrophobicContact CD2-CG2 4.18Å; M86-I111 HydrophobicContact CB-CD1 3.79Å; L87-I111 HydrophobicContact CD1-CB 3.83Å; L87-I111 HydrophobicContact CD1-CG2 3.54Å; I90-I111 HydrophobicContact CD1-CD1 3.41Å; I90-I111 VanDerWaalsContact CD1-CD1 3.41Å; M107-I111 WeakPolarHBondContact O-CG1 3.49Å; M107-I111 PolarHBondContact O-N 3.03Å; M107-I111 VanDerWaalsContact O-N 3.09Å; T109-I111 PolarHBondContact O-N 3.22Å; I111-K114 PolarHBondContact O-N 3.49Å; I111-L115 HydrophobicContact CG2-CD1 4.13Å; I111-L115 PolarHBondContact O-N 3.14Å
112R73Confident64.7Low132 Ų13292.3 Ų92.350%0.49844%0.444SS..Hα-helixtrans-66.6-39.5178.8-76.3-179.6-178.4167.77.7112.6L87 Q108 T109 K114 L115 N116L87-R112 HydrophobicContact CD1-CG 4.15Å; Q108-R112 WeakPolarHBondContact O-CB 3.23Å; Q108-R112 VanDerWaalsContact O-CG 3.26Å; Q108-R112 WeakPolarHBondContact O-CG 3.33Å; Q108-R112 PolarHBondContact O-N 3.1Å; T109-R112 PolarHBondContact O-N 2.73Å; R112-K114 VanDerWaalsContact C-N 3.3Å; R112-K114 PolarHBondContact O-N 2.55Å; R112-L115 PolarHBondContact O-N 2.87Å; R112-N116 PolarHBondContact O-N 2.83Å
113V61.7Low64.1Low74 Ų7493.1 Ų93.145%0.44845%0.45SS..Hα-helixtrans-58.7-44.6172.7170.90000110.2T109 L115 N116 D117T109-V113 HydrophobicContact CG2-CG2 4.4Å; T109-V113 VanDerWaalsContact O-CG2 3.31Å; T109-V113 WeakPolarHBondContact O-CG2 3.46Å; T109-V113 PolarHBondContact O-N 2.66Å; V113-L115 PolarHBondContact O-N 3.21Å; V113-N116 PolarHBondContact O-N 2.71Å; V113-D117 PolarHBondContact O-N 3.12Å
114K65.5Low63Low133 Ų13392.7 Ų92.758%0.57845%0.453SS*.Hα-helixtrans-65.3-35175.7-72.5-177179.7-1770113.9D110 I111 R112 K118D110-K114 PolarHBondContact O-N 3.28Å; I111-K114 PolarHBondContact O-N 3.49Å; R112-K114 VanDerWaalsContact C-N 3.3Å; R112-K114 PolarHBondContact O-N 2.55Å; K114-K118 WeakPolarHBondContact O-CB 3.38Å; K114-K118 PolarHBondContact O-N 3.46Å; K114-K118 VanDerWaalsContact O-N 3.12Å
115L68.4Low61.5Low10 Ų1099.1 Ų99.15%0.05248%0.483CS..Hα-helixtrans-65.4-41.1174.8-80.6167000111.5L83 L84 I111 R112 V113 F119L83-L115 HydrophobicContact CB-CD1 4.4Å; L83-L115 HydrophobicContact CB-CD2 3.8Å; L83-L115 HydrophobicContact CB-CG 4.09Å; L83-L115 HydrophobicContact CD1-CD2 3.96Å; L83-L115 HydrophobicContact CD1-CG 4.28Å; L84-L115 HydrophobicContact CD2-CD1 4.26Å; I111-L115 HydrophobicContact CG2-CD1 4.13Å; I111-L115 PolarHBondContact O-N 3.14Å; R112-L115 PolarHBondContact O-N 2.87Å; V113-L115 PolarHBondContact O-N 3.21Å; L115-F119 HydrophobicContact CD2-CD2 4.01Å; L115-F119 HydrophobicContact CD2-CE2 4.4Å; L115-F119 WeakPolarHBondContact O-CB 3.38Å; L115-F119 PolarHBondContact O-N 2.92Å
116N60.3Low60.1Low84 Ų84102.5 Ų102.545%0.44949%0.493SS..Hα-helixtrans-65.9-53.8174.1-9016.4000112R112 V113 K118 E120 M121R112-N116 PolarHBondContact O-N 2.83Å; V113-N116 PolarHBondContact O-N 2.71Å; N116-K118 PolarHBondContact O-N 3.37Å; N116-E120 WeakPolarHBondContact O-CA 3.31Å; N116-E120 PolarHBondContact O-N 3Å; N116-E120 VanDerWaalsContact O-N 3.15Å; N116-M121 PolarHBondContact OD1-O 2.95Å
117D58.1Low58.5Low135 Ų135100.5 Ų100.572%0.72249%0.486SS*.Hα-helixtrans-64.7-37.7-173.6-93.33.2000113.3V113V113-D117 PolarHBondContact O-N 3.12Å
118K65.5Low56.5Low163 Ų163105.6 Ų105.671%0.70951%0.506SS*.Hα-helixtrans-100.6-24-172.7-71.9-136.6174.8-168.60115.5K114 N116K114-K118 WeakPolarHBondContact O-CB 3.38Å; K114-K118 PolarHBondContact O-N 3.46Å; K114-K118 VanDerWaalsContact O-N 3.12Å; N116-K118 PolarHBondContact O-N 3.37Å
119F65.1Low54.2Low34 Ų34115.6 Ų115.615%0.14954%0.543CS..Hα-helixtrans-118.44.4-176.1-54.6-86.1000113.3K76 N79 K80 L83 L115 M121K76-F119 HydrophobicContact CG-CD1 4.01Å; K76-F119 HydrophobicContact CG-CE1 3.85Å; K76-F119 VanDerWaalsContact O-CE1 3.29Å; K76-F119 WeakPolarHBondContact O-CE1 3.43Å; N79-F119 HydrophobicContact CB-CE1 4.41Å; N79-F119 HydrophobicContact CB-CZ 4.14Å; K80-F119 HydrophobicContact CB-CD1 3.86Å; K80-F119 HydrophobicContact CB-CE1 3.84Å; K80-F119 HydrophobicContact CB-CG 4.34Å; K80-F119 HydrophobicContact CB-CZ 4.29Å; K80-F119 HydrophobicContact CG-CD1 4.48Å; L83-F119 HydrophobicContact CD1-CD2 4.32Å; L83-F119 HydrophobicContact CD1-CE2 3.44Å; L83-F119 VanDerWaalsContact CD1-CE2 3.44Å; L83-F119 HydrophobicContact CD1-CZ 4.11Å; L115-F119 HydrophobicContact CD2-CD2 4.01Å; L115-F119 HydrophobicContact CD2-CE2 4.4Å; L115-F119 WeakPolarHBondContact O-CB 3.38Å; L115-F119 PolarHBondContact O-N 2.92Å; F119-M121 PolarHBondContact O-N 3.38Å; F119-M121 VanDerWaalsContact O-N 3.09Å
120E57Low52.5Low164 Ų164119.1 Ų119.177%0.76656%0.557SS**  trans50.536.7175.1-63173.7-171.700112.3N116 E122N116-E120 WeakPolarHBondContact O-CA 3.31Å; N116-E120 PolarHBondContact O-N 3Å; N116-E120 VanDerWaalsContact O-N 3.15Å; E120-E122 PolarHBondContact O-N 2.84Å
121M49.4Very low50.6Low62 Ų62121.5 Ų121.531%0.30557%0.568SS.*  trans-73.8117.5177.9-95.2-168.650.700110N116 F119 Q125N116-M121 PolarHBondContact OD1-O 2.95Å; F119-M121 PolarHBondContact O-N 3.38Å; F119-M121 VanDerWaalsContact O-N 3.09Å; M121-Q125 HydrophobicContact CE-CB 4.49Å
122E46.4Very low48.4Very low157 Ų157126.1 Ų126.173%0.73460%0.597SS**  trans-67142.9173.2-69.5-157.7162.700112.5E120 S124 Q125E120-E122 PolarHBondContact O-N 2.84Å; E122-S124 PolarHBondContact O-N 2.93Å; E122-Q125 PolarHBondContact O-N 3.39Å
123E45.9Very low46.2Very low181 Ų181125.7 Ų125.785%0.84661%0.609SS**THydrogen-bonded Turntrans-58.5-11.7-173.4-145.8176.4-173.400114.4Q125E123-Q125 PolarHBondContact O-N 2.82Å
124S43.3Very low44.6Very low65 Ų65127.3 Ų127.346%0.45562%0.621SS.*THydrogen-bonded Turntrans-79.7-11.2-174.1660000115E122 K126 S226E122-S124 PolarHBondContact O-N 2.93Å; S124-K126 PolarHBondContact O-N 3.22Å; S124-S226 VanDerWaalsContact O-CB 3.32Å; S124-S226 WeakPolarHBondContact O-CB 3.16Å
125Q41.5Very low42.8Very low136 Ų136126.2 Ų126.264%0.63663%0.63SS**SBendtrans-94.482179.7-66.5-79.2-25.300112.6M121 E122 E123M121-Q125 HydrophobicContact CE-CB 4.49Å; E122-Q125 PolarHBondContact O-N 3.39Å; E123-Q125 PolarHBondContact O-N 2.82Å
126K40.1Very low40.8Very low179 Ų179134.9 Ų134.978%0.77867%0.668SS**  trans82.191.3153.5-58.4-178.1-176.71720119.9S124S124-K126 PolarHBondContact O-N 3.22Å
127Q32.2Very low39.3Very low99 Ų99139.7 Ų139.746%0.46369%0.687SS.*  trans-78.1127.2155.9-72.1176.5-2.900112.9H224Q127-H224 PolarHBondContact NE2-ND1 2.67Å; Q127-H224 VanDerWaalsContact NE2-ND1 3.14Å
128K32Very low37.8Very low198 Ų198140.4 Ų140.486%0.86169%0.691SS**  trans-137.4103.8151.2-87-173.9178.4177.10109.6
129R28.6Very low36Very low231 Ų231140.6 Ų140.687%0.87270%0.698SS**  trans-80.2117169.1-71.6-179.1175.6-175.9-1.2108.8
130I28.4Very low34.3Very low147 Ų147144.4 Ų144.475%0.75472%0.724SS**  trans-102.9118166.1-62.5178.6000107.2V132I130-V132 HydrophobicContact CG2-CG2 4.04Å
131I28Very low32.9Very low146 Ų146144.2 Ų144.275%0.74973%0.728SS**  trans-94.9109.1175.5-61.1172000106.6V133I131-V133 HydrophobicContact CG2-CG2 4.03Å
132V25.7Very low32Very low118 Ų118150.8 Ų150.872%0.71576%0.755SS**  trans-98.5112.4168.3-178.10000107.3I130 P134I130-V132 HydrophobicContact CG2-CG2 4.04Å; V132-P134 WeakPolarHBondContact O-CD 3.11Å
133V26.4Very low31.1Very low123 Ų123149.4 Ų149.475%0.74576%0.762SS**  trans-86.1115.5173.9-1780000107.8I131I131-V133 HydrophobicContact CG2-CG2 4.03Å
134P29.6Very low30.4Very low109 Ų109150.4 Ų150.471%0.70876%0.763SS**  trans-70.7130177.3-15.430.4000111V132V132-P134 WeakPolarHBondContact O-CD 3.11Å
135S27Very low29.9Very low110 Ų110156.8 Ų156.877%0.76979%0.786SS**  trans-68.2130.6169.240.70000111.1
136K27.3Very low29.4Very low192 Ų192154.4 Ų154.484%0.83579%0.789SS**  trans21.9110.9155.2-77.9-178.2171-177.60116.8
137H27.2Very low29.5Very low184 Ų184155.4 Ų155.485%0.85280%0.797SS**  trans-124122145.8-95.553.8000109.3I139H137-I139 PolarHBondContact O-N 2.81Å
138D27.6Very low29.9Very low151 Ų151157.7 Ų157.781%0.80781%0.812SS**  trans-63.9105.2178.5-68-49.7000110.4T140D138-T140 PolarHBondContact O-N 2.93Å
139I26.6Very low30.5Very low166 Ų166153.1 Ų153.185%0.85180%0.802SS**  trans-81.9105.7163.2-61.1178.2000107.3H137H137-I139 PolarHBondContact O-N 2.81Å
140T30.3Very low31.5Very low115 Ų115150.5 Ų150.571%0.70681%0.805SS**  trans-69.9136.6166.635.80000110D138 F142D138-T140 PolarHBondContact O-N 2.93Å; T140-F142 PolarHBondContact O-N 2.8Å; T140-F142 VanDerWaalsContact O-N 3.12Å
141N27.4Very low32.2Very low159 Ų159149.2 Ų149.285%0.8580%0.798SS**  trans-44.2106.4178.7-81.9-27.6000114.3
142F30.8Very low33.4Very low200 Ų200148 Ų14888%0.87780%0.803SS**  trans-135.790.1149.5-88.2-81.2000108.9T140 K144T140-F142 PolarHBondContact O-N 2.8Å; T140-F142 VanDerWaalsContact O-N 3.12Å; F142-K144 PolarHBondContact O-N 2.82Å
143C27.9Very low34.8Very low129 Ų129150.5 Ų150.587%0.87280%0.804SS**  trans-71.9120.2170.3-169.60000108.8
144K30.6Very low36.7Very low202 Ų202152.5 Ų152.588%0.87881%0.809SS**  trans-107.5115.8167.9-91.4-173.7175.2179.10108.3F142F142-K144 PolarHBondContact O-N 2.82Å
145E33.6Very low38.4Very low199 Ų199153.7 Ų153.793%0.9381%0.814SS**  trans-78.7118.8177.6-154.8174.2-16400109.3
146A30.5Very low40.7Very low85 Ų85151.8 Ų151.870%0.70280%0.798SS**  trans-100.5120.6176.800000109.8L148A146-L148 PolarHBondContact O-N 2.96Å
147Q41.9Very low43.4Very low201 Ų201145.5 Ų145.594%0.93978%0.778SS**  trans-72.4109.8170.9-79.8-167.1-17.200109.8
148L40Very low46.2Very low147 Ų147138.1 Ų138.177%0.7774%0.744SS**  trans-77.4146172.4-68.8167000110.4A146A146-L148 PolarHBondContact O-N 2.96Å
149P44.1Very low49Very low101 Ų101135.5 Ų135.566%0.65673%0.727SS**  trans-57.2146.4169.9-12.322000110.8I151P149-I151 VanDerWaalsContact C-N 3.32Å; P149-I151 PolarHBondContact O-N 3.05Å
150N51.4Low52Low176 Ų176130.4 Ų130.494%0.94170%0.697SS**  trans-64.990.3170.9-89.6-17.8000109.9S152N150-S152 PolarHBondContact O-N 3.02Å
151I43.3Very low55.1Low120 Ų120126.1 Ų126.162%0.61567%0.668SS**  trans-84.7109.6174.1-60.1166.8000107.6P149 K153P149-I151 VanDerWaalsContact C-N 3.32Å; P149-I151 PolarHBondContact O-N 3.05Å; I151-K153 HydrophobicContact CG2-CG 3.87Å; I151-K153 PolarHBondContact O-N 2.86Å
152S53.2Low58Low121 Ų121120 Ų12085%0.84664%0.64SS**  trans-80114.6167.860.40000109.6N150N150-S152 PolarHBondContact O-N 3.02Å
153K55.2Low60.8Low171 Ų171114.8 Ų114.874%0.74362%0.617SS**  trans-106131.5169.6-63.5-174.6179.2-176.40108.9I151 V155I151-K153 HydrophobicContact CG2-CG 3.87Å; I151-K153 PolarHBondContact O-N 2.86Å; K153-V155 PolarHBondContact O-N 3.23Å
154I64.3Low63.9Low164 Ų164109.4 Ų109.484%0.84158%0.579SS**  trans-78.7112.3168.4-61.2174.4000106.5V156I154-V156 PolarHBondContact O-N 2.91Å
155V66.7Low66.9Low135 Ų135100.4 Ų100.482%0.81854%0.541SS*.  trans-78.9111.9177.1-179.40000108.1K153K153-V155 PolarHBondContact O-N 3.23Å
156V75.4Confident69.6Low69 Ų6993.2 Ų93.242%0.41851%0.508SS..  trans-88.4126.8171.6-172.60000108.5I154 R160 F161I154-V156 PolarHBondContact O-N 2.91Å; V156-R160 HydrophobicContact CG1-CB 3.94Å; V156-R160 HydrophobicContact CG1-CG 3.81Å; V156-F161 HydrophobicContact CB-CE1 4.11Å; V156-F161 HydrophobicContact CB-CZ 4.02Å; V156-F161 HydrophobicContact CG1-CD1 4.02Å; V156-F161 HydrophobicContact CG1-CE1 3.4Å; V156-F161 VanDerWaalsContact CG1-CE1 3.4Å; V156-F161 HydrophobicContact CG1-CZ 3.76Å
157S84.5Confident72.4Confident60 Ų6089.8 Ų89.842%0.4248%0.479SS..  trans-83153.6-17963.80000111.9E159 R160 F161S157-E159 PolarHBondContact O-N 3.32Å; S157-R160 WeakPolarHBondContact O-CA 3.44Å; S157-R160 VanDerWaalsContact O-CB 3.23Å; S157-R160 WeakPolarHBondContact O-CB 3.43Å; S157-R160 PolarHBondContact O-N 2.95Å; S157-R160 PolarHBondContact OG-N 3.03Å; S157-F161 PolarHBondContact O-N 3.24Å
158Q86Confident74.5Confident29 Ų2989.4 Ų89.414%0.13647%0.47CS..Hα-helixtrans-63.2-28.5174.3-59.1-174.2-71.100112.7R160 F161 A162 Y262 D264 Y284Q158-R160 PolarHBondContact O-N 3.04Å; Q158-F161 PolarHBondContact O-N 3.4Å; Q158-A162 PolarHBondContact O-N 2.89Å; Q158-Y262 WeakPolarHBondContact CG-O 3.2Å; Q158-Y262 PolarHBondContact NE2-O 2.64Å; Q158-D264 PolarHBondContact NE2-OD1 2.87Å; Q158-D264 PolarHBondContact NE2-OD2 3.25Å; Q158-Y284 HydrophobicContact CB-CD1 4Å; Q158-Y284 HydrophobicContact CB-CD2 3.68Å; Q158-Y284 HydrophobicContact CB-CE1 4.16Å; Q158-Y284 HydrophobicContact CB-CE2 3.83Å; Q158-Y284 HydrophobicContact CB-CG 3.77Å; Q158-Y284 HydrophobicContact CG-CD2 4.38Å; Q158-Y284 VanDerWaalsContact OE1-CD2 3.3Å
159E86.2Confident76.9Confident96 Ų9684.4 Ų84.445%0.44945%0.448SS..Hα-helixtrans-57.6-35.9170.2-167.5-163.8154.200111.8S157 K163S157-E159 PolarHBondContact O-N 3.32Å; E159-K163 WeakPolarHBondContact O-CG 3.38Å; E159-K163 PolarHBondContact O-N 3.35Å; E159-K163 WeakPolarHBondContact OE1-CE 3.35Å; E159-K163 IonicContact OE1-NZ 3.04Å; E159-K163 PolarHBondContact OE1-NZ 3.4Å
160R89.7Confident79.1Confident59 Ų5979.9 Ų79.922%0.22342%0.418CS..Hα-helixtrans-68.9-45177.6178.360.4-175.5-177.35.7111V156 S157 Q158 A162 K163 E164 R171 E376V156-R160 HydrophobicContact CG1-CB 3.94Å; V156-R160 HydrophobicContact CG1-CG 3.81Å; S157-R160 WeakPolarHBondContact O-CA 3.44Å; S157-R160 VanDerWaalsContact O-CB 3.23Å; S157-R160 WeakPolarHBondContact O-CB 3.43Å; S157-R160 PolarHBondContact O-N 2.95Å; S157-R160 PolarHBondContact OG-N 3.03Å; Q158-R160 PolarHBondContact O-N 3.04Å; R160-A162 VanDerWaalsContact C-N 3.31Å; R160-A162 PolarHBondContact O-N 3.06Å; R160-K163 PolarHBondContact O-N 2.91Å; R160-K163 VanDerWaalsContact O-N 3.14Å; R160-E164 WeakPolarHBondContact CG-OE1 3.22Å; R160-E164 IonicContact CZ-OE1 3.46Å; R160-E164 VanDerWaalsContact CZ-OE1 3.28Å; R160-E164 IonicContact NE-OE1 2.73Å; R160-E164 PolarHBondContact NE-OE1 3.07Å; R160-E164 IonicContact NH2-OE1 2.78Å; R160-E164 PolarHBondContact NH2-OE1 3.05Å; R160-E164 WeakPolarHBondContact O-CG 3.26Å; R160-E164 PolarHBondContact O-N 3.28Å; R160-R171 VanDerWaalsContact NH1-CG 3.32Å; R160-E376 IonicContact CZ-OE1 3.12Å; R160-E376 IonicContact NH2-OE1 3.77Å; R160-E376 PolarHBondContact NH2-OE1 2.88Å
161F93.6Very high80.8Confident25 Ų2578.8 Ų78.811%0.1140%0.401CS..Hα-helixtrans-59.4-40.9175.4-58.4-37.2000112.2V156 S157 Q158 K163 E164 L165 V366 W368V156-F161 HydrophobicContact CB-CE1 4.11Å; V156-F161 HydrophobicContact CB-CZ 4.02Å; V156-F161 HydrophobicContact CG1-CD1 4.02Å; V156-F161 HydrophobicContact CG1-CE1 3.4Å; V156-F161 VanDerWaalsContact CG1-CE1 3.4Å; V156-F161 HydrophobicContact CG1-CZ 3.76Å; S157-F161 PolarHBondContact O-N 3.24Å; Q158-F161 PolarHBondContact O-N 3.4Å; F161-K163 VanDerWaalsContact C-N 3.31Å; F161-K163 PolarHBondContact O-N 3.16Å; F161-E164 PolarHBondContact O-N 2.85Å; F161-E164 VanDerWaalsContact O-N 3.13Å; F161-L165 WeakPolarHBondContact O-CB 3.43Å; F161-L165 PolarHBondContact O-N 2.85Å; F161-V366 HydrophobicContact CB-CG1 4.16Å; F161-V366 HydrophobicContact CD1-CG1 4.02Å; F161-V366 HydrophobicContact CD1-CG2 3.93Å; F161-V366 HydrophobicContact CD2-CG1 3.7Å; F161-V366 HydrophobicContact CE1-CG1 4.3Å; F161-V366 HydrophobicContact CE1-CG2 3.92Å; F161-V366 HydrophobicContact CE2-CG1 4.02Å; F161-V366 HydrophobicContact CG-CG1 3.71Å; F161-V366 HydrophobicContact CG-CG2 4.48Å; F161-V366 HydrophobicContact CZ-CG1 4.31Å; F161-V366 HydrophobicContact CZ-CG2 4.45Å; F161-W368 HydrophobicContact CB-CZ2 4.38Å
162A89.9Confident82.8Confident32 Ų3273.3 Ų73.326%0.26437%0.373SS..Hα-helixtrans-60.1-39.5175.700000112.6Q158 R160 L165 D166 Y262 Y284Q158-A162 PolarHBondContact O-N 2.89Å; R160-A162 VanDerWaalsContact C-N 3.31Å; R160-A162 PolarHBondContact O-N 3.06Å; A162-L165 PolarHBondContact O-N 2.74Å; A162-D166 PolarHBondContact O-N 2.84Å; A162-Y262 HydrophobicContact CB-CD1 4.42Å; A162-Y262 HydrophobicContact CB-CE1 4.07Å; A162-Y284 HydrophobicContact CB-CE1 4.49Å
163K89.8Confident84.2Confident90 Ų9069.7 Ų69.739%0.39134%0.344SS..Hα-helixtrans-70-30.4175.5-70.5175.7-173.61670113.3E159 R160 F161 S169 H170E159-K163 WeakPolarHBondContact O-CG 3.38Å; E159-K163 PolarHBondContact O-N 3.35Å; E159-K163 WeakPolarHBondContact OE1-CE 3.35Å; E159-K163 IonicContact OE1-NZ 3.04Å; E159-K163 PolarHBondContact OE1-NZ 3.4Å; R160-K163 PolarHBondContact O-N 2.91Å; R160-K163 VanDerWaalsContact O-N 3.14Å; F161-K163 VanDerWaalsContact C-N 3.31Å; F161-K163 PolarHBondContact O-N 3.16Å; K163-S169 CarbonylContact O-C 3.55Å; K163-H170 PolarHBondContact O-CD2 3.24Å
164E93Very high85.5Confident15 Ų1568.5 Ų68.57%0.0734%0.339CS..Hα-helixtrans-79-22.9176.7-68.7172.5-179.600112.8R160 F161 H170 Q203 W368R160-E164 WeakPolarHBondContact CG-OE1 3.22Å; R160-E164 IonicContact CZ-OE1 3.46Å; R160-E164 VanDerWaalsContact CZ-OE1 3.28Å; R160-E164 IonicContact NE-OE1 2.73Å; R160-E164 PolarHBondContact NE-OE1 3.07Å; R160-E164 IonicContact NH2-OE1 2.78Å; R160-E164 PolarHBondContact NH2-OE1 3.05Å; R160-E164 WeakPolarHBondContact O-CG 3.26Å; R160-E164 PolarHBondContact O-N 3.28Å; F161-E164 PolarHBondContact O-N 2.85Å; F161-E164 VanDerWaalsContact O-N 3.13Å; E164-H170 PolarHBondContact O-NE2 3.15Å; E164-Q203 WeakPolarHBondContact O-CB 3.24Å; E164-Q203 WeakPolarHBondContact O-CG 3.25Å; E164-Q203 PolarHBondContact O-NE2 3.4Å; E164-W368 HydrophobicContact CB-CZ2 3.95Å; E164-W368 PolarHBondContact OE2-NE1 3.23Å
165L92.9Very high86.1Confident13 Ų1362.4 Ų62.47%0.06831%0.308CS..Hα-helixtrans-85.8-25.4177.9-173.361.1000113.3F161 A162 P167 Q203 R204 V207 Y262 W368F161-L165 WeakPolarHBondContact O-CB 3.43Å; F161-L165 PolarHBondContact O-N 2.85Å; A162-L165 PolarHBondContact O-N 2.74Å; L165-P167 WeakPolarHBondContact O-CD 3.22Å; L165-Q203 HydrophobicContact CD1-CB 4.37Å; L165-R204 HydrophobicContact CD1-CB 4.21Å; L165-R204 PolarHBondContact O-NH2 2.89Å; L165-R204 VanDerWaalsContact O-NH2 3.12Å; L165-V207 HydrophobicContact CD1-CG2 4.12Å; L165-Y262 HydrophobicContact CD2-CE1 4.35Å; L165-W368 HydrophobicContact CB-CH2 3.86Å; L165-W368 HydrophobicContact CB-CZ2 4.36Å; L165-W368 HydrophobicContact CD1-CH2 3.89Å; L165-W368 HydrophobicContact CD1-CZ3 3.81Å; L165-W368 HydrophobicContact CD2-CH2 4.5Å; L165-W368 HydrophobicContact CG-CH2 4.3Å
166D90.4Very high86.4Confident48 Ų4862.1 Ų62.126%0.25731%0.307SS..SBendtrans-94.4108.9177.2175.631.5000111.7A162 Y168 S169 H170A162-D166 PolarHBondContact O-N 2.84Å; D166-Y168 PolarHBondContact O-N 3.32Å; D166-Y168 PolarHBondContact OD1-N 3.14Å; D166-S169 WeakPolarHBondContact O-CA 3.44Å; D166-S169 WeakPolarHBondContact O-CB 3.15Å; D166-S169 PolarHBondContact O-N 3.44Å; D166-S169 PolarHBondContact OD2-OG 2.85Å; D166-H170 PolarHBondContact O-CD2 3.21Å; D166-H170 PolarHBondContact O-N 3Å; D166-H170 PolarHBondContact O-NE2 3.18Å
167P88.4Confident86.3Confident14 Ų1465.3 Ų65.39%0.09132%0.322CS..THydrogen-bonded Turntrans-54.5-25-179.8-24.233.2000114.6L165 S169 H170 L173 P201L165-P167 WeakPolarHBondContact O-CD 3.22Å; P167-S169 VanDerWaalsContact C-N 3.27Å; P167-H170 WeakPolarHBondContact CA-NE2 3.44Å; P167-L173 WeakPolarHBondContact O-CD1 3.05Å; P167-P201 HydrophobicContact CG-CB 3.63Å
168Y87.5Confident85.6Confident192 Ų19263.5 Ų63.575%0.75331%0.307SS*.THydrogen-bonded Turntrans-81.8-5.3178.1-62.5-72000113.9D166 L173D166-Y168 PolarHBondContact O-N 3.32Å; D166-Y168 PolarHBondContact OD1-N 3.14Å; Y168-L173 VanDerWaalsContact C-CD1 3.46Å; Y168-L173 VanDerWaalsContact O-CD1 3.26Å; Y168-L173 WeakPolarHBondContact O-CD1 3.36Å
169S88.6Confident84.5Confident42 Ų4264.9 Ų64.929%0.29432%0.318SS..SBendtrans-115.21.7-179.7-63.60000113.1K163 D166 P167K163-S169 CarbonylContact O-C 3.55Å; D166-S169 WeakPolarHBondContact O-CA 3.44Å; D166-S169 WeakPolarHBondContact O-CB 3.15Å; D166-S169 PolarHBondContact O-N 3.44Å; D166-S169 PolarHBondContact OD2-OG 2.85Å; P167-S169 VanDerWaalsContact C-N 3.27Å
170H92.2Very high83.5Confident6 Ų662.3 Ų62.33%0.02831%0.311CS..  trans-63.2145.1-179.6-71.8-162.9000112.3K163 E164 D166 P167 V172 L173 F174 I200 Q203 E379K163-H170 PolarHBondContact O-CD2 3.24Å; E164-H170 PolarHBondContact O-NE2 3.15Å; D166-H170 PolarHBondContact O-CD2 3.21Å; D166-H170 PolarHBondContact O-N 3Å; D166-H170 PolarHBondContact O-NE2 3.18Å; P167-H170 WeakPolarHBondContact CA-NE2 3.44Å; H170-V172 HydrophobicContact CB-CG1 4.26Å; H170-V172 PolarHBondContact O-N 2.91Å; H170-L173 WeakPolarHBondContact O-CB 3.33Å; H170-L173 PolarHBondContact O-N 2.91Å; H170-F174 WeakPolarHBondContact O-CD2 3.4Å; H170-I200 PolarHBondContact CE1-O 3.14Å; H170-Q203 PolarHBondContact CE1-OE1 3.21Å; H170-Q203 VanDerWaalsContact CE1-OE1 3.26Å; H170-E379 IonicContact CE1-OE1 2.69Å; H170-E379 PolarHBondContact CE1-OE1 2.79Å; H170-E379 IonicContact CG-OE1 3.75Å; H170-E379 IonicContact ND1-OE1 2.75Å; H170-E379 PolarHBondContact ND1-OE1 3.33Å; H170-E379 IonicContact ND1-OE2 3.66Å; H170-E379 PolarHBondContact ND1-OE2 2.65Å
171R86.2Confident82.1Confident153 Ų15361.6 Ų61.658%0.57731%0.311SS*.G310 helixtrans-58.4-34.5-176.3-66.5-176108162.8-4113.5R160 L173 F174 D175 E376R160-R171 VanDerWaalsContact NH1-CG 3.32Å; R171-L173 PolarHBondContact O-N 3.39Å; R171-L173 VanDerWaalsContact O-N 3.14Å; R171-F174 CarbonylContact O-C 3.48Å; R171-F174 PolarHBondContact O-N 3.28Å; R171-D175 PolarHBondContact O-N 3.32Å; R171-E376 WeakPolarHBondContact CD-OE1 3.49Å
172V84.8Confident80.2Confident6 Ų664.4 Ų64.44%0.03633%0.333CS..G310 helixtrans-57.8-29-177.271.70000112.5H170 F174 D175 L178 E379 I380H170-V172 HydrophobicContact CB-CG1 4.26Å; H170-V172 PolarHBondContact O-N 2.91Å; V172-F174 PolarHBondContact O-N 3.24Å; V172-D175 PolarHBondContact O-N 3.01Å; V172-L178 HydrophobicContact CG2-CD1 3.99Å; V172-E379 HydrophobicContact CB-CB 4.18Å; V172-E379 HydrophobicContact CG1-CB 4.13Å; V172-E379 HydrophobicContact CG2-CB 4.2Å; V172-I380 HydrophobicContact CG2-CG1 4.41Å
173L83.4Confident78.6Confident45 Ų4564.8 Ų64.824%0.23633%0.333CS..G310 helixtrans-65.8-29.9177.1-60.9178.3000112.2P167 Y168 H170 R171 K197P167-L173 WeakPolarHBondContact O-CD1 3.05Å; Y168-L173 VanDerWaalsContact C-CD1 3.46Å; Y168-L173 VanDerWaalsContact O-CD1 3.26Å; Y168-L173 WeakPolarHBondContact O-CD1 3.36Å; H170-L173 WeakPolarHBondContact O-CB 3.33Å; H170-L173 PolarHBondContact O-N 2.91Å; R171-L173 PolarHBondContact O-N 3.39Å; R171-L173 VanDerWaalsContact O-N 3.14Å; L173-K197 HydrophobicContact CD2-CB 3.93Å; L173-K197 WeakPolarHBondContact CD2-O 3.12Å
174F82.1Confident76.7Confident145 Ų14567 Ų6764%0.63634%0.343SS*.G310 helixtrans-1011.1-178.7-49.5-76.6000113H170 R171 V172 T176H170-F174 WeakPolarHBondContact O-CD2 3.4Å; R171-F174 CarbonylContact O-C 3.48Å; R171-F174 PolarHBondContact O-N 3.28Å; V172-F174 PolarHBondContact O-N 3.24Å; F174-T176 PolarHBondContact O-N 2.75Å
175D77.4Confident75Confident37 Ų3770.1 Ų70.120%0.19836%0.36CS..  trans-72111.4-179.7-170.4-12000110.7R171 V172 N177 L178 K197R171-D175 PolarHBondContact O-N 3.32Å; V172-D175 PolarHBondContact O-N 3.01Å; D175-N177 VanDerWaalsContact C-N 3.26Å; D175-N177 PolarHBondContact O-N 3.29Å; D175-N177 VanDerWaalsContact OD1-CB 3.28Å; D175-N177 WeakPolarHBondContact OD1-CB 3.3Å; D175-N177 PolarHBondContact OD1-N 2.88Å; D175-N177 PolarHBondContact OD1-ND2 3.29Å; D175-L178 HydrophobicContact CB-CD1 4.47Å; D175-K197 PolarHBondContact O-NZ 2.74Å
176T73.6Confident73.5Confident128 Ų12878.2 Ų78.279%0.78540%0.403SS*.THydrogen-bonded Turntrans-78.5-5.9-179.7530000113.6F174F174-T176 PolarHBondContact O-N 2.75Å
177N71.4Confident72.4Confident137 Ų13782 Ų8273%0.73342%0.424SS*.THydrogen-bonded Turntrans-83.7-12.4179.4-56.1-63.5000113.4D175 P179D175-N177 VanDerWaalsContact C-N 3.26Å; D175-N177 PolarHBondContact O-N 3.29Å; D175-N177 VanDerWaalsContact OD1-CB 3.28Å; D175-N177 WeakPolarHBondContact OD1-CB 3.3Å; D175-N177 PolarHBondContact OD1-N 2.88Å; D175-N177 PolarHBondContact OD1-ND2 3.29Å; N177-P179 WeakPolarHBondContact O-CD 3.36Å
178L70Confident71.2Confident22 Ų2282.9 Ų82.912%0.11543%0.434CS..SBendtrans-71.8120.2175-77.5166.8000110.4V172 D175 K197 N383 L384V172-L178 HydrophobicContact CG2-CD1 3.99Å; D175-L178 HydrophobicContact CB-CD1 4.47Å; L178-K197 HydrophobicContact CD1-CD 3.86Å; L178-K197 HydrophobicContact CD1-CG 4.11Å; L178-N383 HydrophobicContact CD1-CB 4.04Å; L178-N383 HydrophobicContact CD2-CB 4.09Å; L178-L384 HydrophobicContact CD2-CB 4.45Å
179P64.2Low69.8Low57 Ų5776 Ų7637%0.3741%0.414SS..PPolyproline II helixtrans-71.9143.2-170.624.7-31.6000114.2N177 F195 L384 V387N177-P179 WeakPolarHBondContact O-CD 3.36Å; P179-F195 WeakPolarHBondContact O-CD2 3.45Å; P179-L384 HydrophobicContact CG-CD1 4.4Å; P179-V387 HydrophobicContact CG-CG1 4.29Å
180S64.1Low68.3Low43 Ų4381.4 Ų81.430%0.30143%0.43SS..PPolyproline II helixtrans-99.8164.3169.761.70000112E192S180-E192 VanDerWaalsContact CB-OE1 3.31Å; S180-E192 WeakPolarHBondContact CB-OE1 3.26Å; S180-E192 PolarHBondContact OG-OE1 2.77Å
181I60.8Low66.6Low44 Ų4483.5 Ų83.523%0.22644%0.444CS..EExtended strand (participates in β ladder)trans-101.1122.2169.9-71.5178.4000109.2I193 F195 R391I181-I193 HydrophobicContact CB-CB 4.39Å; I181-I193 HydrophobicContact CG2-CD1 4.38Å; I181-I193 PolarHBondContact N-O 2.82Å; I181-I193 PolarHBondContact O-N 2.87Å; I181-F195 HydrophobicContact CB-CE2 4.32Å; I181-F195 HydrophobicContact CB-CZ 4.25Å; I181-F195 HydrophobicContact CD1-CE1 4.47Å; I181-F195 HydrophobicContact CD1-CE2 4.23Å; I181-F195 HydrophobicContact CD1-CZ 3.51Å; I181-F195 HydrophobicContact CG1-CE2 3.79Å; I181-F195 HydrophobicContact CG1-CZ 3.59Å; I181-R391 HydrophobicContact CD1-CB 4.13Å; I181-R391 HydrophobicContact CD1-CG 4.03Å
182C54.2Low65.5Low83 Ų8381.9 Ų81.956%0.56144%0.443SS*.EExtended strand (participates in β ladder)trans-95.4114.3168.5-166.60000109.5C191C182-C191 WeakPolarHBondContact CA-O 3.43Å
183C54.8Low64.5Low41 Ų4185.3 Ų85.328%0.27746%0.46SS..EExtended strand (participates in β ladder)trans-108.2143.2177.161.90000110.8Y190 C191 I193C183-Y190 CarbonylContact O-C 3.55Å; C183-Y190 VanDerWaalsContact O-CA 3.32Å; C183-Y190 WeakPolarHBondContact O-CA 3.03Å; C183-C191 PolarHBondContact N-O 2.84Å; C183-C191 PolarHBondContact O-N 3.17Å; C183-C191 PolarHBondContact SG-O 3.05Å; C183-C191 VanDerWaalsContact SG-O 3.38Å; C183-I193 HydrophobicContact CB-CD1 4.46Å
184K51.8Low63.6Low135 Ų13590.7 Ų90.759%0.58748%0.484SS*.EExtended strand (participates in β ladder)trans-87.6122.8173.9-167.8175180175.10109G188 S189 Y190K184-G188 WeakPolarHBondContact CE-O 3.41Å; K184-S189 CarbonylContact C-O 3.58Å; K184-S189 WeakPolarHBondContact CA-O 3.37Å; K184-Y190 HydrophobicContact CB-CD1 4.1Å; K184-Y190 HydrophobicContact CB-CE1 3.95Å; K184-Y190 HydrophobicContact CD-CE1 4.25Å; K184-Y190 HydrophobicContact CG-CD1 4.42Å; K184-Y190 HydrophobicContact CG-CE1 4.15Å
185L56.6Low62.9Low82 Ų8286 Ų8643%0.42946%0.464SS..  trans-76.1163.1174.7-61.7-179.8000110.9D187 G188 S189 C191L185-D187 WeakPolarHBondContact CB-OD1 3.43Å; L185-D187 PolarHBondContact O-N 2.97Å; L185-G188 WeakPolarHBondContact O-CA 3.37Å; L185-G188 PolarHBondContact O-N 3.15Å; L185-S189 PolarHBondContact N-O 2.87Å; L185-C191 HydrophobicContact CD1-CB 3.97Å; L185-C191 HydrophobicContact CD2-CB 4.02Å; L185-C191 HydrophobicContact CG-CB 3.93Å
186D60.7Low62.6Low182 Ų18291.8 Ų91.897%0.97349%0.487SS*.THydrogen-bonded Turntrans-59.7-26.9-176.3-73.7-18.1000113.7G188D186-G188 PolarHBondContact O-N 3.32Å
187D68.3Low62.9Low129 Ų12988.7 Ų88.769%0.6946%0.463SS*.THydrogen-bonded Turntrans-79.7-2.6175.969.5-7.6000113.5L185 S189L185-D187 WeakPolarHBondContact CB-OD1 3.43Å; L185-D187 PolarHBondContact O-N 2.97Å; D187-S189 VanDerWaalsContact OD1-CB 3.24Å; D187-S189 WeakPolarHBondContact OD1-CB 3.13Å; D187-S189 PolarHBondContact OD1-N 2.48Å; D187-S189 PolarHBondContact OD1-OG 3.43Å; D187-S189 PolarHBondContact OD2-OG 2.74Å
188G63.4Low63.3Low31 Ų3186.6 Ų86.632%0.3245%0.447SS..SBendtrans88.6-2.6-178.600000115K184 L185 D186K184-G188 WeakPolarHBondContact CE-O 3.41Å; L185-G188 WeakPolarHBondContact O-CA 3.37Å; L185-G188 PolarHBondContact O-N 3.15Å; D186-G188 PolarHBondContact O-N 3.32Å
189S57.4Low63.9Low47 Ų4786.2 Ų86.233%0.32945%0.449SS..  trans-73.4164.8171.8700000111.5K184 L185 D187K184-S189 CarbonylContact C-O 3.58Å; K184-S189 WeakPolarHBondContact CA-O 3.37Å; L185-S189 PolarHBondContact N-O 2.87Å; D187-S189 VanDerWaalsContact OD1-CB 3.24Å; D187-S189 WeakPolarHBondContact OD1-CB 3.13Å; D187-S189 PolarHBondContact OD1-N 2.48Å; D187-S189 PolarHBondContact OD1-OG 3.43Å; D187-S189 PolarHBondContact OD2-OG 2.74Å
190Y56.4Low65.1Low157 Ų15785.2 Ų85.262%0.61644%0.44SS*.EExtended strand (participates in β ladder)trans-110.6133.3177.6-67.7-91.1000109.5C183 K184C183-Y190 CarbonylContact O-C 3.55Å; C183-Y190 VanDerWaalsContact O-CA 3.32Å; C183-Y190 WeakPolarHBondContact O-CA 3.03Å; K184-Y190 HydrophobicContact CB-CD1 4.1Å; K184-Y190 HydrophobicContact CB-CE1 3.95Å; K184-Y190 HydrophobicContact CD-CE1 4.25Å; K184-Y190 HydrophobicContact CG-CD1 4.42Å; K184-Y190 HydrophobicContact CG-CE1 4.15Å
191C56.6Low66.4Low50 Ų5086 Ų8634%0.33844%0.444SS..EExtended strand (participates in β ladder)trans-110.9127.9172.2175.10000108.5C182 C183 L185C182-C191 WeakPolarHBondContact CA-O 3.43Å; C183-C191 PolarHBondContact N-O 2.84Å; C183-C191 PolarHBondContact O-N 3.17Å; C183-C191 PolarHBondContact SG-O 3.05Å; C183-C191 VanDerWaalsContact SG-O 3.38Å; L185-C191 HydrophobicContact CD1-CB 3.97Å; L185-C191 HydrophobicContact CD2-CB 4.02Å; L185-C191 HydrophobicContact CG-CB 3.93Å
192E64.5Low67.9Low118 Ų11884.7 Ų84.755%0.55144%0.437SS*.EExtended strand (participates in β ladder)trans-88.7115.2171-169168.6-169.400108.8S180 E194S180-E192 VanDerWaalsContact CB-OE1 3.31Å; S180-E192 WeakPolarHBondContact CB-OE1 3.26Å; S180-E192 PolarHBondContact OG-OE1 2.77Å; E192-E194 PolarHBondContact O-N 2.89Å
193I63.6Low69.8Low78 Ų7880.8 Ų80.840%0.441%0.411SS..EExtended strand (participates in β ladder)trans-85.197.1173.2-55.7176.2000106.6I181 C183I181-I193 HydrophobicContact CB-CB 4.39Å; I181-I193 HydrophobicContact CG2-CD1 4.38Å; I181-I193 PolarHBondContact N-O 2.82Å; I181-I193 PolarHBondContact O-N 2.87Å; C183-I193 HydrophobicContact CB-CD1 4.46Å
194E64.5Low71.6Confident158 Ų15883.4 Ų83.474%0.73842%0.415SS*.PPolyproline II helixtrans-70.6126.4171.9-69.2-174.1166.900110.2E192E192-E194 PolarHBondContact O-N 2.89Å
195F66.7Low73.5Confident46 Ų4683.6 Ų83.620%0.20241%0.412CS..PPolyproline II helixtrans-81.9133.8173.3-63.7-76.4000110.1P179 I181 K197 V387 K390P179-F195 WeakPolarHBondContact O-CD2 3.45Å; I181-F195 HydrophobicContact CB-CE2 4.32Å; I181-F195 HydrophobicContact CB-CZ 4.25Å; I181-F195 HydrophobicContact CD1-CE1 4.47Å; I181-F195 HydrophobicContact CD1-CE2 4.23Å; I181-F195 HydrophobicContact CD1-CZ 3.51Å; I181-F195 HydrophobicContact CG1-CE2 3.79Å; I181-F195 HydrophobicContact CG1-CZ 3.59Å; F195-K197 PolarHBondContact O-N 3.41Å; F195-K197 VanDerWaalsContact O-N 3.13Å; F195-V387 HydrophobicContact CB-CG2 4.07Å; F195-V387 HydrophobicContact CD1-CG2 4.42Å; F195-V387 HydrophobicContact CD2-CB 4.48Å; F195-V387 HydrophobicContact CD2-CG1 4.05Å; F195-V387 HydrophobicContact CD2-CG2 3.72Å; F195-V387 HydrophobicContact CE2-CB 4.48Å; F195-V387 HydrophobicContact CE2-CG1 3.69Å; F195-V387 HydrophobicContact CE2-CG2 4.19Å; F195-V387 HydrophobicContact CG-CG2 3.82Å; F195-V387 HydrophobicContact CZ-CG1 4.1Å; F195-K390 HydrophobicContact CE1-CB 3.98Å
196K70.1Confident75.3Confident160 Ų16079.7 Ų79.770%0.69639%0.391SS*.PPolyproline II helixtrans-63118.2172.2-168170.1175.8-175.70108.4F198K196-F198 HydrophobicContact CB-CE1 4.31Å; K196-F198 HydrophobicContact CB-CE2 3.88Å; K196-F198 HydrophobicContact CB-CZ 3.63Å; K196-F198 HydrophobicContact CD-CD1 4.37Å; K196-F198 HydrophobicContact CD-CE1 3.38Å; K196-F198 HydrophobicContact CD-CE2 4.45Å; K196-F198 HydrophobicContact CD-CZ 3.44Å; K196-F198 VanDerWaalsContact CD-CZ 3.44Å; K196-F198 HydrophobicContact CG-CD1 4.23Å; K196-F198 HydrophobicContact CG-CE1 3.56Å; K196-F198 HydrophobicContact CG-CE2 3.95Å; K196-F198 HydrophobicContact CG-CZ 3.4Å; K196-F198 VanDerWaalsContact O-CD2 3.27Å; K196-F198 WeakPolarHBondContact O-CD2 3.28Å; K196-F198 WeakPolarHBondContact O-CE2 3.42Å
197K80Confident77Confident63 Ų6371 Ų7127%0.27435%0.345SS..PPolyproline II helixtrans-87.3146.8171.7-58.2173.8-170.7174.10108.6L173 D175 L178 F195 N383L173-K197 HydrophobicContact CD2-CB 3.93Å; L173-K197 WeakPolarHBondContact CD2-O 3.12Å; D175-K197 PolarHBondContact O-NZ 2.74Å; L178-K197 HydrophobicContact CD1-CD 3.86Å; L178-K197 HydrophobicContact CD1-CG 4.11Å; F195-K197 PolarHBondContact O-N 3.41Å; F195-K197 VanDerWaalsContact O-N 3.13Å; K197-N383 WeakPolarHBondContact CA-OD1 3.09Å
198F79.6Confident78Confident92 Ų9267.7 Ų67.740%0.40433%0.327SS..  trans-134131.7-179.3-51.4-93.5000109.9K196 N383K196-F198 HydrophobicContact CB-CE1 4.31Å; K196-F198 HydrophobicContact CB-CE2 3.88Å; K196-F198 HydrophobicContact CB-CZ 3.63Å; K196-F198 HydrophobicContact CD-CD1 4.37Å; K196-F198 HydrophobicContact CD-CE1 3.38Å; K196-F198 HydrophobicContact CD-CE2 4.45Å; K196-F198 HydrophobicContact CD-CZ 3.44Å; K196-F198 VanDerWaalsContact CD-CZ 3.44Å; K196-F198 HydrophobicContact CG-CD1 4.23Å; K196-F198 HydrophobicContact CG-CE1 3.56Å; K196-F198 HydrophobicContact CG-CE2 3.95Å; K196-F198 HydrophobicContact CG-CZ 3.4Å; K196-F198 VanDerWaalsContact O-CD2 3.27Å; K196-F198 WeakPolarHBondContact O-CD2 3.28Å; K196-F198 WeakPolarHBondContact O-CE2 3.42Å; F198-N383 PolarHBondContact N-OD1 2.66Å; F198-N383 PolarHBondContact O-ND2 3.4Å
199G84.2Confident79.3Confident15 Ų1568 Ų6816%0.15532%0.32CS..  trans-81.9141.8159.600000109.3E379G199-E379 VanDerWaalsContact CA-OE1 3.31Å; G199-E379 WeakPolarHBondContact CA-OE1 3.39Å
200I89.4Confident80.9Confident36 Ų3667 Ų6719%0.18531%0.31CS..  trans-104.4129-178.4-56.8179.7000107.3H170 M202 F378 E379 Y382H170-I200 PolarHBondContact CE1-O 3.14Å; I200-M202 HydrophobicContact CB-CG 4.41Å; I200-M202 HydrophobicContact CG2-CE 4.15Å; I200-M202 HydrophobicContact CG2-CG 3.83Å; I200-M202 PolarHBondContact O-N 3.22Å; I200-F378 HydrophobicContact CD1-CD1 3.78Å; I200-F378 HydrophobicContact CD1-CE1 3.51Å; I200-E379 HydrophobicContact CB-CG 4.41Å; I200-E379 HydrophobicContact CG1-CG 4.38Å; I200-E379 PolarHBondContact N-OE1 2.8Å; I200-Y382 HydrophobicContact CD1-CD1 3.9Å; I200-Y382 HydrophobicContact CD1-CD2 4.34Å; I200-Y382 HydrophobicContact CD1-CE1 4.36Å; I200-Y382 HydrophobicContact CD1-CG 3.89Å
201P90.5Very high82.6Confident58 Ų5859.7 Ų59.738%0.37728%0.281SS..  trans-74.845.1-173.631.8-37.6000113.9P167 R204 R205P167-P201 HydrophobicContact CG-CB 3.63Å; P201-R204 HydrophobicContact CB-CB 4.33Å; P201-R204 PolarHBondContact O-N 2.83Å; P201-R205 WeakPolarHBondContact O-CG 3.47Å; P201-R205 PolarHBondContact O-N 3.19Å; P201-R205 VanDerWaalsContact O-N 3.07Å
202M92.8Very high84.2Confident17 Ų1761.1 Ų61.18%0.08429%0.285CS..Hα-helixtrans-63.7-47.4-178.9-69.3-171.4171.200111.3I200 R204 R205 I206 I375 F378 L446 L449I200-M202 HydrophobicContact CB-CG 4.41Å; I200-M202 HydrophobicContact CG2-CE 4.15Å; I200-M202 HydrophobicContact CG2-CG 3.83Å; I200-M202 PolarHBondContact O-N 3.22Å; M202-R204 VanDerWaalsContact C-N 3.31Å; M202-R204 PolarHBondContact O-N 2.72Å; M202-R205 PolarHBondContact O-N 3.13Å; M202-R205 VanDerWaalsContact O-N 3.13Å; M202-I206 WeakPolarHBondContact O-CD1 3.47Å; M202-I206 VanDerWaalsContact O-CG1 3.28Å; M202-I206 WeakPolarHBondContact O-CG1 3.47Å; M202-I206 PolarHBondContact O-N 3Å; M202-I375 HydrophobicContact CB-CD1 4.07Å; M202-I375 HydrophobicContact CB-CG1 4.15Å; M202-I375 HydrophobicContact CB-CG2 4.06Å; M202-I375 HydrophobicContact CG-CG2 4.48Å; M202-I375 HydrophobicContact SD-CG1 4.19Å; M202-I375 HydrophobicContact SD-CG2 4.11Å; M202-F378 HydrophobicContact CE-CB 4.44Å; M202-F378 HydrophobicContact CE-CD1 3.24Å; M202-F378 HydrophobicContact CE-CD2 4.16Å; M202-F378 HydrophobicContact CE-CE1 3.35Å; M202-F378 HydrophobicContact CE-CE2 4.24Å; M202-F378 HydrophobicContact CE-CG 3.69Å; M202-F378 HydrophobicContact CE-CZ 3.86Å; M202-F378 HydrophobicContact SD-CD1 4.25Å; M202-F378 HydrophobicContact SD-CG 4.44Å; M202-L446 HydrophobicContact CE-CD2 3.49Å; M202-L446 VanDerWaalsContact CE-CD2 3.49Å; M202-L446 HydrophobicContact SD-CD2 4.49Å; M202-L449 HydrophobicContact SD-CD2 3.57Å; M202-L449 VanDerWaalsContact SD-CD2 3.57Å
203Q94.5Very high85.4Confident1 Ų155.8 Ų55.81%0.00526%0.261CS..Hα-helixtrans-54.2-48177.1-68.287-18.600111.2E164 L165 H170 R205 I206 V207 W368 I375E164-Q203 WeakPolarHBondContact O-CB 3.24Å; E164-Q203 WeakPolarHBondContact O-CG 3.25Å; E164-Q203 PolarHBondContact O-NE2 3.4Å; L165-Q203 HydrophobicContact CD1-CB 4.37Å; H170-Q203 PolarHBondContact CE1-OE1 3.21Å; H170-Q203 VanDerWaalsContact CE1-OE1 3.26Å; Q203-R205 PolarHBondContact O-N 3.36Å; Q203-I206 PolarHBondContact O-N 3.08Å; Q203-V207 WeakPolarHBondContact O-CG2 3.47Å; Q203-V207 PolarHBondContact O-N 2.78Å; Q203-W368 HydrophobicContact CB-CD2 3.66Å; Q203-W368 HydrophobicContact CB-CE3 3.74Å; Q203-W368 HydrophobicContact CB-CG 4.06Å; Q203-W368 HydrophobicContact CB-CZ2 4.44Å; Q203-W368 HydrophobicContact CB-CZ3 4.21Å; Q203-W368 HydrophobicContact CG-CB 4.13Å; Q203-W368 HydrophobicContact CG-CD2 3.49Å; Q203-W368 VanDerWaalsContact CG-CD2 3.49Å; Q203-W368 HydrophobicContact CG-CE3 4.13Å; Q203-W368 HydrophobicContact CG-CG 3.47Å; Q203-W368 VanDerWaalsContact CG-CG 3.47Å; Q203-W368 HydrophobicContact CG-CZ2 4.36Å; Q203-I375 HydrophobicContact CG-CD1 3.81Å; Q203-I375 VanDerWaalsContact NE2-CG2 3.34Å
204R92.3Very high86.8Confident96 Ų9652.1 Ų52.136%0.36224%0.242SC..Hα-helixtrans-61.7-42.6178.1-169.6171.6-63175.21.6112.5L165 P201 M202 V207 D208L165-R204 HydrophobicContact CD1-CB 4.21Å; L165-R204 PolarHBondContact O-NH2 2.89Å; L165-R204 VanDerWaalsContact O-NH2 3.12Å; P201-R204 HydrophobicContact CB-CB 4.33Å; P201-R204 PolarHBondContact O-N 2.83Å; M202-R204 VanDerWaalsContact C-N 3.31Å; M202-R204 PolarHBondContact O-N 2.72Å; R204-V207 PolarHBondContact O-N 3.49Å; R204-D208 VanDerWaalsContact O-CG 3.28Å; R204-D208 PolarHBondContact O-N 3.28Å
205R91.5Very high88Confident139 Ų13944.9 Ų44.953%0.52521%0.21SC..Hα-helixtrans-65.7-36.8176.8-70.9-65.1-72.9175.4-7.1112.6P201 M202 Q203 K209P201-R205 WeakPolarHBondContact O-CG 3.47Å; P201-R205 PolarHBondContact O-N 3.19Å; P201-R205 VanDerWaalsContact O-N 3.07Å; M202-R205 PolarHBondContact O-N 3.13Å; M202-R205 VanDerWaalsContact O-N 3.13Å; Q203-R205 PolarHBondContact O-N 3.36Å; R205-K209 WeakPolarHBondContact O-CB 3.41Å; R205-K209 WeakPolarHBondContact O-CG 3.5Å; R205-K209 PolarHBondContact O-N 2.76Å; R205-K209 VanDerWaalsContact O-N 3.1Å
206I94.5Very high89Confident0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-65.4-45.8176.2-64.9158.9000110M202 Q203 K209 K210 A367 W368 I375 L449 T453 C455 F457M202-I206 WeakPolarHBondContact O-CD1 3.47Å; M202-I206 VanDerWaalsContact O-CG1 3.28Å; M202-I206 WeakPolarHBondContact O-CG1 3.47Å; M202-I206 PolarHBondContact O-N 3Å; Q203-I206 PolarHBondContact O-N 3.08Å; I206-K209 PolarHBondContact O-N 3.28Å; I206-K210 HydrophobicContact CG2-CD 4.49Å; I206-K210 HydrophobicContact CG2-CG 4.43Å; I206-K210 WeakPolarHBondContact O-CB 3.43Å; I206-K210 PolarHBondContact O-N 3.07Å; I206-A367 HydrophobicContact CG2-CB 3.92Å; I206-A367 WeakPolarHBondContact CG2-O 3.35Å; I206-W368 HydrophobicContact CD1-CB 4.05Å; I206-I375 HydrophobicContact CD1-CD1 4.02Å; I206-L449 HydrophobicContact CD1-CD1 4.4Å; I206-T453 HydrophobicContact CD1-CG2 4.05Å; I206-C455 HydrophobicContact CG2-CB 4.41Å; I206-F457 HydrophobicContact CD1-CZ 4.29Å; I206-F457 HydrophobicContact CG1-CE1 4.22Å; I206-F457 HydrophobicContact CG1-CZ 3.85Å
207V95.1Very high89.9Confident0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-57.2-53.8174.9172.10000111.3L165 Q203 R204 K209 K210 S211 R257 Q260 A367 W368L165-V207 HydrophobicContact CD1-CG2 4.12Å; Q203-V207 WeakPolarHBondContact O-CG2 3.47Å; Q203-V207 PolarHBondContact O-N 2.78Å; R204-V207 PolarHBondContact O-N 3.49Å; V207-K209 VanDerWaalsContact C-N 3.27Å; V207-K209 PolarHBondContact O-N 2.69Å; V207-K210 PolarHBondContact O-N 3.01Å; V207-S211 VanDerWaalsContact O-CB 3.23Å; V207-S211 WeakPolarHBondContact O-CB 3.41Å; V207-S211 PolarHBondContact O-N 2.83Å; V207-S211 PolarHBondContact O-OG 3.26Å; V207-S211 VanDerWaalsContact O-OG 3.06Å; V207-R257 HydrophobicContact CG1-CG 3.74Å; V207-Q260 HydrophobicContact CG1-CB 4.44Å; V207-A367 HydrophobicContact CG2-CB 3.8Å; V207-W368 HydrophobicContact CG2-CE3 3.81Å; V207-W368 HydrophobicContact CG2-CZ3 3.43Å; V207-W368 VanDerWaalsContact CG2-CZ3 3.43Å
208D90.5Very high90.3Very high59 Ų5942.2 Ų42.232%0.31621%0.21SC..Hα-helixtrans-60.2-39.1-176-66.2-23.3000111.3R204 L212 R257R204-D208 VanDerWaalsContact O-CG 3.28Å; R204-D208 PolarHBondContact O-N 3.28Å; D208-L212 VanDerWaalsContact O-CB 3.27Å; D208-L212 WeakPolarHBondContact O-CB 3.29Å; D208-L212 PolarHBondContact O-N 3.17Å; D208-L212 VanDerWaalsContact O-N 3.1Å; D208-R257 IonicContact OD1-CZ 3.79Å; D208-R257 IonicContact OD1-NE 3.83Å; D208-R257 PolarHBondContact OD1-NE 2.8Å; D208-R257 IonicContact OD1-NH2 3.91Å; D208-R257 PolarHBondContact OD1-NH2 3.2Å; D208-R257 VanDerWaalsContact OD1-NH2 3.16Å
209K90.1Very high90.8Very high37 Ų3738.4 Ų38.416%0.16119%0.193CC..Hα-helixtrans-68.4-49.7176.5-77.8-164.5173-156.40112.9R205 I206 V207 L212 C213 T456R205-K209 WeakPolarHBondContact O-CB 3.41Å; R205-K209 WeakPolarHBondContact O-CG 3.5Å; R205-K209 PolarHBondContact O-N 2.76Å; R205-K209 VanDerWaalsContact O-N 3.1Å; I206-K209 PolarHBondContact O-N 3.28Å; V207-K209 VanDerWaalsContact C-N 3.27Å; V207-K209 PolarHBondContact O-N 2.69Å; K209-L212 PolarHBondContact O-N 3.13Å; K209-C213 PolarHBondContact O-N 2.8Å; K209-C213 PolarHBondContact O-SG 2.89Å; K209-T456 PolarHBondContact NZ-O 2.94Å
210K92Very high91Very high27 Ų2741.4 Ų41.412%0.11721%0.205CC..Hα-helixtrans-64-41.9179.9-75-157.9176.2-169.50112.1I206 V207 C213 L214 A367 T453 E484I206-K210 HydrophobicContact CG2-CD 4.49Å; I206-K210 HydrophobicContact CG2-CG 4.43Å; I206-K210 WeakPolarHBondContact O-CB 3.43Å; I206-K210 PolarHBondContact O-N 3.07Å; V207-K210 PolarHBondContact O-N 3.01Å; K210-C213 PolarHBondContact O-N 2.83Å; K210-L214 PolarHBondContact O-N 3.14Å; K210-L214 VanDerWaalsContact O-N 3.08Å; K210-A367 HydrophobicContact CD-CB 4.09Å; K210-T453 WeakPolarHBondContact CE-O 3.47Å; K210-T453 PolarHBondContact NZ-O 3.25Å; K210-E484 HydrophobicContact CD-CG 4.35Å; K210-E484 IonicContact NZ-OE1 2.98Å; K210-E484 PolarHBondContact NZ-OE1 3.01Å
211S91.8Very high91Very high3 Ų340.9 Ų40.92%0.02120%0.202CC..Hα-helixtrans-62.7-42.9177.1-67.60000111.6V207 G215 R257 Q260V207-S211 VanDerWaalsContact O-CB 3.23Å; V207-S211 WeakPolarHBondContact O-CB 3.41Å; V207-S211 PolarHBondContact O-N 2.83Å; V207-S211 PolarHBondContact O-OG 3.26Å; V207-S211 VanDerWaalsContact O-OG 3.06Å; S211-G215 WeakPolarHBondContact O-CA 2.95Å; S211-G215 PolarHBondContact O-N 2.79Å; S211-R257 WeakPolarHBondContact OG-CA 3.5Å; S211-Q260 PolarHBondContact OG-OE1 3.02Å
212L90.3Very high90.8Very high80 Ų8041.6 Ų41.642%0.41920%0.202SC..Hα-helixtrans-64.6-44.5175.5-178.565.1000111.9D208 K209 L214 G216 W536D208-L212 VanDerWaalsContact O-CB 3.27Å; D208-L212 WeakPolarHBondContact O-CB 3.29Å; D208-L212 PolarHBondContact O-N 3.17Å; D208-L212 VanDerWaalsContact O-N 3.1Å; K209-L212 PolarHBondContact O-N 3.13Å; L212-L214 PolarHBondContact O-N 2.76Å; L212-G216 VanDerWaalsContact O-CA 3.24Å; L212-G216 WeakPolarHBondContact O-CA 3.43Å; L212-G216 PolarHBondContact O-N 3.05Å; L212-W536 HydrophobicContact CD1-CD2 4.45Å; L212-W536 HydrophobicContact CD2-CE3 3.99Å; L212-W536 HydrophobicContact CD2-CH2 4.05Å; L212-W536 HydrophobicContact CD2-CZ3 3.69Å; L212-W536 HydrophobicContact CG-CD2 4.19Å; L212-W536 HydrophobicContact CG-CE3 3.81Å; L212-W536 HydrophobicContact CG-CZ3 4.07Å; L212-W536 WeakPolarHBondContact O-CB 3.28Å
213C90Very high90.5Very high7 Ų742.3 Ų42.35%0.04721%0.206CC..Hα-helixtrans-65.1-36.3-178.4-64.20000112.7K209 K210 R478 A485 P535 W536K209-C213 PolarHBondContact O-N 2.8Å; K209-C213 PolarHBondContact O-SG 2.89Å; K210-C213 PolarHBondContact O-N 2.83Å; C213-R478 PolarHBondContact SG-NH2 2.81Å; C213-A485 HydrophobicContact CB-CB 4.07Å; C213-P535 CarbonylContact O-C 3.47Å; C213-P535 VanDerWaalsContact O-CA 3.24Å; C213-P535 WeakPolarHBondContact O-CA 3.21Å; C213-W536 PolarHBondContact O-N 2.81Å
214L92.7Very high89.9Confident1 Ų145 Ų451%0.00522%0.219CC..Hα-helixtrans-80.4-48.6176.4179.360.1000112.4K210 L212 I256 A488 A489 W492 F533K210-L214 PolarHBondContact O-N 3.14Å; K210-L214 VanDerWaalsContact O-N 3.08Å; L212-L214 PolarHBondContact O-N 2.76Å; L214-I256 HydrophobicContact CB-CD1 4.45Å; L214-I256 HydrophobicContact CD2-CD1 3.73Å; L214-I256 HydrophobicContact CD2-CG1 4.03Å; L214-I256 HydrophobicContact CD2-CG2 4.03Å; L214-I256 HydrophobicContact CG-CD1 3.86Å; L214-A488 HydrophobicContact CD1-CB 4.08Å; L214-A488 HydrophobicContact CD2-CB 3.86Å; L214-A488 HydrophobicContact CG-CB 4.49Å; L214-A489 HydrophobicContact CD1-CB 4.01Å; L214-W492 HydrophobicContact CD2-CG 4.2Å; L214-F533 HydrophobicContact CD1-CB 3.95Å; L214-F533 HydrophobicContact CD1-CD1 4.08Å; L214-F533 HydrophobicContact CD1-CD2 4.48Å; L214-F533 HydrophobicContact CD1-CG 3.91Å; L214-F533 HydrophobicContact CG-CD1 4.08Å; L214-F533 HydrophobicContact CG-CE1 4.43Å; L214-F533 HydrophobicContact CG-CG 4.37Å; L214-F533 WeakPolarHBondContact O-CD1 3.49Å
215G89Confident89.3Confident5 Ų543.9 Ų43.95%0.05222%0.22CC..Hα-helixtrans-103.7-3.1-165.900000116.1S211 N217 R219S211-G215 WeakPolarHBondContact O-CA 2.95Å; S211-G215 PolarHBondContact O-N 2.79Å; G215-N217 PolarHBondContact O-N 3.42Å; G215-R219 PolarHBondContact O-NH2 3.17Å
216G87.2Confident88.4Confident35 Ų3541.5 Ų41.536%0.36122%0.224SC..SBendtrans-71.3-20.9-169.600000116.3L212L212-G216 VanDerWaalsContact O-CA 3.24Å; L212-G216 WeakPolarHBondContact O-CA 3.43Å; L212-G216 PolarHBondContact O-N 3.05Å
217N89.9Confident87.7Confident43 Ų4348.1 Ų48.123%0.2326%0.26CS..SBendtrans-92.1161.9171.2-71.9-38.9000111.4G215 R219 K534 P535 W536G215-N217 PolarHBondContact O-N 3.42Å; N217-R219 PolarHBondContact O-NH1 3.35Å; N217-K534 HydrophobicContact CB-CB 4.24Å; N217-K534 WeakPolarHBondContact CB-O 3.46Å; N217-K534 PolarHBondContact ND2-O 2.77Å; N217-P535 PolarHBondContact ND2-O 2.77Å; N217-W536 WeakPolarHBondContact ND2-CA 3.43Å
218K87.9Confident86.9Confident136 Ų13649.4 Ų49.459%0.59127%0.268SS*.PPolyproline II helixtrans-62.6152.5165.5-64.9-167.7173.1-171.90111.8D244 D249K218-D244 IonicContact NZ-OD1 2.65Å; K218-D244 IonicContact NZ-OD2 2.89Å; K218-D244 PolarHBondContact NZ-OD2 3.31Å; K218-D249 WeakPolarHBondContact CA-OD2 3.27Å; K218-D249 VanDerWaalsContact CB-OD2 3.24Å; K218-D249 WeakPolarHBondContact CB-OD2 3.4Å; K218-D249 WeakPolarHBondContact CG-OD2 3.46Å
219R91.1Very high86.3Confident12 Ų1251 Ų515%0.04528%0.28CS..PPolyproline II helixtrans-69.8147.9177.5-61-52.2145.5-112.4-12.8112.2G215 N217 W243 D249 E252 V496 T531G215-R219 PolarHBondContact O-NH2 3.17Å; N217-R219 PolarHBondContact O-NH1 3.35Å; R219-W243 HydrophobicContact CG-CZ2 4.29Å; R219-D249 VanDerWaalsContact CG-OD1 3.26Å; R219-D249 WeakPolarHBondContact CG-OD1 3.35Å; R219-D249 PolarHBondContact N-OD1 3.19Å; R219-D249 PolarHBondContact N-OD2 2.99Å; R219-E252 VanDerWaalsContact CD-OE2 3.23Å; R219-E252 WeakPolarHBondContact CD-OE2 3.22Å; R219-E252 WeakPolarHBondContact CG-OE2 3.06Å; R219-E252 IonicContact CZ-OE2 4Å; R219-E252 IonicContact NE-OE2 2.89Å; R219-E252 PolarHBondContact NE-OE2 2.93Å; R219-V496 HydrophobicContact CG-CG2 4.27Å; R219-T531 HydrophobicContact CB-CG2 3.64Å; R219-T531 HydrophobicContact CG-CG2 4.1Å
220N87.2Confident85.8Confident77 Ų7755.1 Ų55.141%0.41230%0.304SS..EExtended strand (participates in β ladder)trans-89.9109.9175.1-173.524.9000109.7T531 S532N220-T531 WeakPolarHBondContact O-CA 3.47Å; N220-S532 PolarHBondContact N-O 3.14Å; N220-S532 PolarHBondContact O-N 2.94Å
221H91.2Very high85.3Confident26 Ų2659.6 Ų59.612%0.1232%0.323CS..EExtended strand (participates in β ladder)trans-99.2123.7175.4-55.2-70.7000110.3F236 F239 W243 I529 S530 T531H221-F236 HydrophobicContact CB-CE2 4.07Å; H221-F236 HydrophobicContact CB-CZ 3.94Å; H221-F239 AromaticContact ND1-CE1 3.8Å; H221-W243 AromaticContact CE1-CD2 3.76Å; H221-W243 AromaticContact CE1-CE2 3.54Å; H221-W243 AromaticContact CE1-CZ2 3.85Å; H221-W243 AromaticContact CE1-NE1 3.81Å; H221-W243 AromaticContact NE2-CD1 3.54Å; H221-W243 AromaticContact NE2-CD2 3.86Å; H221-W243 AromaticContact NE2-CE2 3.64Å; H221-W243 AromaticContact NE2-CG 3.81Å; H221-W243 AromaticContact NE2-NE1 3.42Å; H221-W243 PolarHBondContact NE2-NE1 3.14Å; H221-I529 HydrophobicContact CB-CG2 4.28Å; H221-S530 WeakPolarHBondContact CA-O 3.48Å; H221-T531 WeakPolarHBondContact CE1-CG2 3.4Å; H221-T531 VanDerWaalsContact ND1-CG2 3.34Å; H221-T531 WeakPolarHBondContact ND1-CG2 3.39Å; H221-T531 PolarHBondContact ND1-OG1 2.88Å
222I85.9Confident84.9Confident73 Ų7360.1 Ų60.137%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-118.9125.9-179.7-56.8174.5000109.2H224 I529 S530I222-H224 PolarHBondContact O-CD2 2.85Å; I222-I529 CarbonylContact O-C 3.56Å; I222-I529 VanDerWaalsContact O-CA 3.28Å; I222-I529 WeakPolarHBondContact O-CA 3.46Å; I222-S530 PolarHBondContact N-O 3.32Å; I222-S530 PolarHBondContact O-N 2.86Å
223L85.5Confident84.4Confident31 Ų3161.2 Ų61.216%0.16233%0.327CS..EExtended strand (participates in β ladder)trans-85113.9170.7179.764000109.5D225 P228 L232 F236 M527L223-D225 HydrophobicContact CG-CB 4.29Å; L223-D225 PolarHBondContact O-N 3.31Å; L223-P228 HydrophobicContact CD2-CB 3.75Å; L223-P228 HydrophobicContact CD2-CG 4.17Å; L223-L232 HydrophobicContact CD1-CD2 4.33Å; L223-L232 HydrophobicContact CD1-CG 4.41Å; L223-L232 HydrophobicContact CD2-CD2 4.31Å; L223-L232 HydrophobicContact CD2-CG 4.27Å; L223-F236 HydrophobicContact CB-CD1 4.21Å; L223-F236 HydrophobicContact CB-CD2 4.31Å; L223-F236 HydrophobicContact CB-CE1 4.19Å; L223-F236 HydrophobicContact CB-CE2 4.31Å; L223-F236 HydrophobicContact CB-CG 4.27Å; L223-F236 HydrophobicContact CB-CZ 4.24Å; L223-F236 HydrophobicContact CD2-CB 4.28Å; L223-F236 HydrophobicContact CD2-CD1 4.42Å; L223-F236 HydrophobicContact CD2-CG 4.32Å; L223-M527 HydrophobicContact CD1-CG 3.65Å
224H83.3Confident84.2Confident59 Ų5967.2 Ų67.227%0.27335%0.353SS..  trans-83.165.3178.2-69-88.5000111.3Q127 I222 R528 S530Q127-H224 PolarHBondContact NE2-ND1 2.67Å; Q127-H224 VanDerWaalsContact NE2-ND1 3.14Å; I222-H224 PolarHBondContact O-CD2 2.85Å; H224-R528 HydrophobicContact CB-CB 4Å; H224-R528 PolarHBondContact N-O 2.78Å; H224-S530 VanDerWaalsContact NE2-CB 3.29Å; H224-S530 WeakPolarHBondContact NE2-CB 3.49Å; H224-S530 PolarHBondContact NE2-OG 3.35Å
225D78.4Confident84Confident72 Ų7267.4 Ų67.439%0.38535%0.354SS..  trans-141.5121.2170.7-162.7-42.8000108.9L223 N227 P228 L232L223-D225 HydrophobicContact CG-CB 4.29Å; L223-D225 PolarHBondContact O-N 3.31Å; D225-N227 PolarHBondContact O-N 2.88Å; D225-N227 VanDerWaalsContact OD1-C 3.27Å; D225-N227 PolarHBondContact OD1-N 3.12Å; D225-P228 HydrophobicContact CB-CB 4.14Å; D225-P228 WeakPolarHBondContact O-CD 3.11Å; D225-L232 HydrophobicContact CB-CD2 4.08Å; D225-L232 WeakPolarHBondContact OD2-CD2 3.49Å
226S73.9Confident84.1Confident88 Ų8868.4 Ų68.462%0.61536%0.356SS*.SBendtrans-69.9-20-178.754.50000112.9S124S124-S226 VanDerWaalsContact O-CB 3.32Å; S124-S226 WeakPolarHBondContact O-CB 3.16Å
227N78.9Confident83.9Confident140 Ų14069 Ų6975%0.74936%0.358SS*.SBendtrans-148.967.9-179.6-147.27.2000110.7D225 T229D225-N227 PolarHBondContact O-N 2.88Å; D225-N227 VanDerWaalsContact OD1-C 3.27Å; D225-N227 PolarHBondContact OD1-N 3.12Å; N227-T229 PolarHBondContact O-N 3.48Å
228P78.4Confident83.8Confident27 Ų2769.2 Ų69.218%0.17536%0.359CS..  trans-66.8135.6-171.926.3-31.5000110.6L223 D225 L232 K233L223-P228 HydrophobicContact CD2-CB 3.75Å; L223-P228 HydrophobicContact CD2-CG 4.17Å; D225-P228 HydrophobicContact CB-CB 4.14Å; D225-P228 WeakPolarHBondContact O-CD 3.11Å; P228-L232 HydrophobicContact CB-CB 4.34Å; P228-L232 HydrophobicContact CB-CD2 3.92Å; P228-L232 HydrophobicContact CB-CG 4.41Å; P228-K233 HydrophobicContact CB-CG 3.96Å; P228-K233 HydrophobicContact CG-CD 4.43Å; P228-K233 HydrophobicContact CG-CG 3.86Å; P228-K233 VanDerWaalsContact O-CE 3.26Å; P228-K233 WeakPolarHBondContact O-CE 3.48Å
229T78.5Confident84.1Confident92 Ų9262.8 Ų62.856%0.56433%0.331SS*.  trans-63.2153.5172.661.80000110.5N227 K231 L232 K233N227-T229 PolarHBondContact O-N 3.48Å; T229-K231 PolarHBondContact O-N 2.7Å; T229-K231 VanDerWaalsContact O-N 3.13Å; T229-L232 WeakPolarHBondContact O-CA 3.32Å; T229-L232 WeakPolarHBondContact O-CB 3.46Å; T229-L232 PolarHBondContact O-N 3.04Å; T229-L232 WeakPolarHBondContact OG1-CB 3.42Å; T229-L232 PolarHBondContact OG1-N 2.87Å; T229-K233 PolarHBondContact O-N 3.03Å
230D78.3Confident84.1Confident124 Ų12466.3 Ų66.366%0.66335%0.347SS*.Hα-helixtrans-59.2-30.7-179.8-59.9-37000112.4K233 K234D230-K233 PolarHBondContact O-N 2.93Å; D230-K233 IonicContact OD1-NZ 2.78Å; D230-K233 PolarHBondContact OD1-NZ 2.59Å; D230-K234 WeakPolarHBondContact O-CB 3.27Å; D230-K234 PolarHBondContact O-N 2.98Å
231K81.6Confident84.2Confident121 Ų12170.5 Ų70.553%0.52636%0.357SS..Hα-helixtrans-65.7-40.8172-155174.5-165.9-171.80112.4T229 N235 E523T229-K231 PolarHBondContact O-N 2.7Å; T229-K231 VanDerWaalsContact O-N 3.13Å; K231-N235 WeakPolarHBondContact O-CB 3.17Å; K231-N235 PolarHBondContact O-N 2.76Å; K231-N235 PolarHBondContact O-ND2 2.95Å; K231-E523 WeakPolarHBondContact CE-OE1 3.35Å; K231-E523 IonicContact NZ-OE1 3.66Å; K231-E523 PolarHBondContact NZ-OE1 3.39Å
232L83.2Confident84.2Confident14 Ų1470.9 Ų70.97%0.07336%0.359CS..Hα-helixtrans-68.2-40175.5-167.666.1000111.8L223 D225 P228 T229 N235 F236 M527L223-L232 HydrophobicContact CD1-CD2 4.33Å; L223-L232 HydrophobicContact CD1-CG 4.41Å; L223-L232 HydrophobicContact CD2-CD2 4.31Å; L223-L232 HydrophobicContact CD2-CG 4.27Å; D225-L232 HydrophobicContact CB-CD2 4.08Å; D225-L232 WeakPolarHBondContact OD2-CD2 3.49Å; P228-L232 HydrophobicContact CB-CB 4.34Å; P228-L232 HydrophobicContact CB-CD2 3.92Å; P228-L232 HydrophobicContact CB-CG 4.41Å; T229-L232 WeakPolarHBondContact O-CA 3.32Å; T229-L232 WeakPolarHBondContact O-CB 3.46Å; T229-L232 PolarHBondContact O-N 3.04Å; T229-L232 WeakPolarHBondContact OG1-CB 3.42Å; T229-L232 PolarHBondContact OG1-N 2.87Å; L232-N235 PolarHBondContact O-N 2.61Å; L232-F236 WeakPolarHBondContact O-CB 3.2Å; L232-F236 PolarHBondContact O-N 2.82Å; L232-M527 HydrophobicContact CD1-CB 3.84Å; L232-M527 HydrophobicContact CD1-CG 3.85Å
233K81.4Confident84.6Confident102 Ų10267.4 Ų67.444%0.44334%0.341SS..Hα-helixtrans-61.5-45.7173.9-66.5177.3-172.1159.10111.4P228 T229 D230 F236 A237P228-K233 HydrophobicContact CB-CG 3.96Å; P228-K233 HydrophobicContact CG-CD 4.43Å; P228-K233 HydrophobicContact CG-CG 3.86Å; P228-K233 VanDerWaalsContact O-CE 3.26Å; P228-K233 WeakPolarHBondContact O-CE 3.48Å; T229-K233 PolarHBondContact O-N 3.03Å; D230-K233 PolarHBondContact O-N 2.93Å; D230-K233 IonicContact OD1-NZ 2.78Å; D230-K233 PolarHBondContact OD1-NZ 2.59Å; K233-F236 PolarHBondContact O-N 2.77Å; K233-A237 PolarHBondContact O-N 3.41Å
234K84.7Confident84.7Confident134 Ų13469.3 Ų69.358%0.58335%0.351SS*.Hα-helixtrans-58.4-51.9175.2-178.8176.3178.2173.90111.1D230 F236 A237 D238D230-K234 WeakPolarHBondContact O-CB 3.27Å; D230-K234 PolarHBondContact O-N 2.98Å; K234-F236 VanDerWaalsContact C-N 3.25Å; K234-F236 PolarHBondContact O-N 3.39Å; K234-A237 WeakPolarHBondContact O-CA 3.37Å; K234-A237 WeakPolarHBondContact O-CB 3.42Å; K234-A237 PolarHBondContact O-N 2.07Å; K234-D238 PolarHBondContact O-N 2.92Å
235N88.3Confident85Confident5 Ų573 Ų733%0.02737%0.369CS..Hα-helixtrans-61.4-33.8179.4-69.4-19.6000112.7K231 L232 F239 N517 E523 F524 M527K231-N235 WeakPolarHBondContact O-CB 3.17Å; K231-N235 PolarHBondContact O-N 2.76Å; K231-N235 PolarHBondContact O-ND2 2.95Å; L232-N235 PolarHBondContact O-N 2.61Å; N235-F239 WeakPolarHBondContact O-CB 3.15Å; N235-F239 PolarHBondContact O-N 3.33Å; N235-N517 PolarHBondContact OD1-ND2 2.79Å; N235-E523 WeakPolarHBondContact ND2-CB 3.26Å; N235-E523 PolarHBondContact ND2-OE2 3.41Å; N235-F524 HydrophobicContact CB-CD2 4.14Å; N235-F524 HydrophobicContact CB-CE2 3.65Å; N235-F524 HydrophobicContact CB-CZ 4.27Å; N235-M527 HydrophobicContact CB-CE 3.45Å; N235-M527 VanDerWaalsContact CB-CE 3.45Å
236F91.2Very high85.5Confident25 Ų2571.8 Ų71.811%0.1136%0.364CS..Hα-helixtrans-70.1-36.5173.7-178.4-118000112.7H221 L223 L232 K233 K234 F239 K240 M527 I529H221-F236 HydrophobicContact CB-CE2 4.07Å; H221-F236 HydrophobicContact CB-CZ 3.94Å; L223-F236 HydrophobicContact CB-CD1 4.21Å; L223-F236 HydrophobicContact CB-CD2 4.31Å; L223-F236 HydrophobicContact CB-CE1 4.19Å; L223-F236 HydrophobicContact CB-CE2 4.31Å; L223-F236 HydrophobicContact CB-CG 4.27Å; L223-F236 HydrophobicContact CB-CZ 4.24Å; L223-F236 HydrophobicContact CD2-CB 4.28Å; L223-F236 HydrophobicContact CD2-CD1 4.42Å; L223-F236 HydrophobicContact CD2-CG 4.32Å; L232-F236 WeakPolarHBondContact O-CB 3.2Å; L232-F236 PolarHBondContact O-N 2.82Å; K233-F236 PolarHBondContact O-N 2.77Å; K234-F236 VanDerWaalsContact C-N 3.25Å; K234-F236 PolarHBondContact O-N 3.39Å; F236-F239 HydrophobicContact CD2-CD1 4.45Å; F236-F239 HydrophobicContact CE2-CD1 4.46Å; F236-K240 HydrophobicContact CD1-CD 4.46Å; F236-K240 HydrophobicContact CE1-CD 3.88Å; F236-K240 HydrophobicContact CE2-CD 4.48Å; F236-K240 HydrophobicContact CE2-CG 4.36Å; F236-K240 HydrophobicContact CZ-CD 3.89Å; F236-K240 HydrophobicContact CZ-CG 4.25Å; F236-K240 WeakPolarHBondContact O-CG 3.4Å; F236-K240 PolarHBondContact O-N 2.68Å; F236-K240 VanDerWaalsContact O-N 3.09Å; F236-M527 WeakPolarHBondContact CA-SD 3.17Å; F236-M527 HydrophobicContact CB-SD 3.72Å; F236-M527 HydrophobicContact CD2-SD 3.97Å; F236-M527 HydrophobicContact CG-SD 4.36Å; F236-I529 HydrophobicContact CD2-CD1 3.88Å; F236-I529 HydrophobicContact CD2-CG1 4.09Å; F236-I529 HydrophobicContact CE2-CD1 4.1Å; F236-I529 HydrophobicContact CE2-CG1 4.15Å; F236-I529 HydrophobicContact CE2-CG2 4.02Å
237A84.3Confident86.4Confident47 Ų4772.4 Ų72.439%0.38836%0.36SS..Hα-helixtrans-64.7-45.4171.800000111.3K233 K234 F239 K240 W241K233-A237 PolarHBondContact O-N 3.41Å; K234-A237 WeakPolarHBondContact O-CA 3.37Å; K234-A237 WeakPolarHBondContact O-CB 3.42Å; K234-A237 PolarHBondContact O-N 2.07Å; A237-F239 VanDerWaalsContact C-N 3.34Å; A237-F239 PolarHBondContact O-N 3.44Å; A237-K240 PolarHBondContact O-N 3.31Å; A237-W241 WeakPolarHBondContact O-CB 3.45Å; A237-W241 PolarHBondContact O-N 2.77Å
238D86.9Confident87.2Confident49 Ų4965.9 Ų65.926%0.26233%0.325SS..Hα-helixtrans-59.3-44.3175.5-63.9-20.1000110.7K234 K240 W241 H242K234-D238 PolarHBondContact O-N 2.92Å; D238-K240 PolarHBondContact O-N 2.86Å; D238-W241 PolarHBondContact O-N 3.22Å; D238-H242 PolarHBondContact O-CD2 3.39Å; D238-H242 PolarHBondContact O-N 2.77Å
239F93.9Very high87.9Confident0 Ų065.5 Ų65.50%032%0.322CS..Hα-helixtrans-56-49.8174168.2-91.6000112.4H221 N235 F236 A237 H242 W243 F503 K504 L507 I529H221-F239 AromaticContact ND1-CE1 3.8Å; N235-F239 WeakPolarHBondContact O-CB 3.15Å; N235-F239 PolarHBondContact O-N 3.33Å; F236-F239 HydrophobicContact CD2-CD1 4.45Å; F236-F239 HydrophobicContact CE2-CD1 4.46Å; A237-F239 VanDerWaalsContact C-N 3.34Å; A237-F239 PolarHBondContact O-N 3.44Å; F239-H242 PolarHBondContact O-N 3.33Å; F239-W243 HydrophobicContact CE2-CE3 4.29Å; F239-W243 HydrophobicContact CZ-CD2 4.46Å; F239-W243 AromaticContact CZ-CE3 3.79Å; F239-W243 HydrophobicContact CZ-CE3 3.79Å; F239-W243 HydrophobicContact CZ-CZ3 4.31Å; F239-W243 WeakPolarHBondContact O-CB 3.31Å; F239-W243 PolarHBondContact O-N 3.43Å; F239-F503 HydrophobicContact CD2-CD1 4.37Å; F239-F503 AromaticContact CE2-CD1 3.87Å; F239-F503 HydrophobicContact CE2-CD1 3.87Å; F239-K504 HydrophobicContact CD2-CB 4.16Å; F239-K504 HydrophobicContact CD2-CG 4.35Å; F239-K504 HydrophobicContact CE2-CB 3.98Å; F239-L507 HydrophobicContact CD2-CD2 4.41Å; F239-I529 HydrophobicContact CD1-CD1 3.79Å; F239-I529 HydrophobicContact CD2-CD1 4.26Å; F239-I529 HydrophobicContact CE1-CD1 4.01Å; F239-I529 HydrophobicContact CE2-CD1 4.42Å; F239-I529 HydrophobicContact CG-CD1 3.95Å; F239-I529 HydrophobicContact CZ-CD1 4.32Å
240K92.3Very high88.5Confident86 Ų8662.1 Ų62.137%0.37431%0.305SS..Hα-helixtrans-64.3-40.8179.2-72.4-173.7-65.5167.10111.8F236 A237 D238 W243 D244F236-K240 HydrophobicContact CD1-CD 4.46Å; F236-K240 HydrophobicContact CE1-CD 3.88Å; F236-K240 HydrophobicContact CE2-CD 4.48Å; F236-K240 HydrophobicContact CE2-CG 4.36Å; F236-K240 HydrophobicContact CZ-CD 3.89Å; F236-K240 HydrophobicContact CZ-CG 4.25Å; F236-K240 WeakPolarHBondContact O-CG 3.4Å; F236-K240 PolarHBondContact O-N 2.68Å; F236-K240 VanDerWaalsContact O-N 3.09Å; A237-K240 PolarHBondContact O-N 3.31Å; D238-K240 PolarHBondContact O-N 2.86Å; K240-W243 WeakPolarHBondContact O-CB 3.41Å; K240-W243 PolarHBondContact O-N 3.06Å; K240-D244 PolarHBondContact O-N 2.86Å
241W87.9Confident89.3Confident166 Ų16657.7 Ų57.763%0.62928%0.281SS*.Hα-helixtrans-59-52176.6176.3-90.3000111.3A237 D238 W243 D244 E245A237-W241 WeakPolarHBondContact O-CB 3.45Å; A237-W241 PolarHBondContact O-N 2.77Å; D238-W241 PolarHBondContact O-N 3.22Å; W241-W243 VanDerWaalsContact C-N 3.32Å; W241-W243 PolarHBondContact O-N 2.84Å; W241-D244 PolarHBondContact O-N 2.92Å; W241-E245 VanDerWaalsContact O-CB 3.25Å; W241-E245 WeakPolarHBondContact O-CB 3.39Å; W241-E245 PolarHBondContact O-N 2.82Å
242H90.8Very high89.9Confident34 Ų3452 Ų5216%0.15726%0.256CS..Hα-helixtrans-66.4-32.6178.5-76.4-75.6000112.9D238 F239 T246 F503 L507D238-H242 PolarHBondContact O-CD2 3.39Å; D238-H242 PolarHBondContact O-N 2.77Å; F239-H242 PolarHBondContact O-N 3.33Å; H242-T246 WeakPolarHBondContact O-CB 3.32Å; H242-T246 WeakPolarHBondContact O-CG2 3.3Å; H242-T246 PolarHBondContact O-N 3.45Å; H242-T246 VanDerWaalsContact O-N 3.08Å; H242-T246 PolarHBondContact O-OG1 2.98Å; H242-F503 HydrophobicContact CB-CE1 4.38Å; H242-F503 HydrophobicContact CB-CZ 4.4Å; H242-L507 HydrophobicContact CB-CD1 3.89Å; H242-L507 HydrophobicContact CB-CD2 3.67Å; H242-L507 HydrophobicContact CB-CG 4.46Å
243W94.4Very high90.3Very high0 Ų055.1 Ų55.10%027%0.271CS..Hα-helixtrans-60.7-47.9173.8-178-84000111.7R219 H221 F239 K240 W241 N247 Q248 D249 E252 H499 F503R219-W243 HydrophobicContact CG-CZ2 4.29Å; H221-W243 AromaticContact CE1-CD2 3.76Å; H221-W243 AromaticContact CE1-CE2 3.54Å; H221-W243 AromaticContact CE1-CZ2 3.85Å; H221-W243 AromaticContact CE1-NE1 3.81Å; H221-W243 AromaticContact NE2-CD1 3.54Å; H221-W243 AromaticContact NE2-CD2 3.86Å; H221-W243 AromaticContact NE2-CE2 3.64Å; H221-W243 AromaticContact NE2-CG 3.81Å; H221-W243 AromaticContact NE2-NE1 3.42Å; H221-W243 PolarHBondContact NE2-NE1 3.14Å; F239-W243 HydrophobicContact CE2-CE3 4.29Å; F239-W243 HydrophobicContact CZ-CD2 4.46Å; F239-W243 AromaticContact CZ-CE3 3.79Å; F239-W243 HydrophobicContact CZ-CE3 3.79Å; F239-W243 HydrophobicContact CZ-CZ3 4.31Å; F239-W243 WeakPolarHBondContact O-CB 3.31Å; F239-W243 PolarHBondContact O-N 3.43Å; K240-W243 WeakPolarHBondContact O-CB 3.41Å; K240-W243 PolarHBondContact O-N 3.06Å; W241-W243 VanDerWaalsContact C-N 3.32Å; W241-W243 PolarHBondContact O-N 2.84Å; W243-N247 PolarHBondContact O-N 3.11Å; W243-Q248 HydrophobicContact CD2-CB 3.48Å; W243-Q248 VanDerWaalsContact CD2-CB 3.48Å; W243-Q248 HydrophobicContact CD2-CG 3.86Å; W243-Q248 VanDerWaalsContact CE2-CB 3.41Å; W243-Q248 HydrophobicContact CE3-CB 3.83Å; W243-Q248 HydrophobicContact CE3-CG 3.86Å; W243-Q248 HydrophobicContact CG-CB 3.92Å; W243-Q248 HydrophobicContact CG-CG 4.2Å; W243-Q248 HydrophobicContact CH2-CB 4.07Å; W243-Q248 HydrophobicContact CZ2-CB 3.74Å; W243-Q248 HydrophobicContact CZ3-CB 4.09Å; W243-Q248 HydrophobicContact CZ3-CG 4.29Å; W243-Q248 PolarHBondContact O-N 3.24Å; W243-Q248 VanDerWaalsContact O-N 3.07Å; W243-D249 PolarHBondContact NE1-OD1 2.89Å; W243-E252 WeakPolarHBondContact CH2-OE1 3.3Å; W243-E252 WeakPolarHBondContact CZ2-OE1 3.26Å; W243-H499 AromaticContact CH2-CE1 3.71Å; W243-H499 AromaticContact CH2-ND1 3.48Å; W243-H499 WeakPolarHBondContact CH2-ND1 2.87Å; W243-F503 HydrophobicContact CB-CE1 4.31Å; W243-F503 HydrophobicContact CE3-CB 4.45Å; W243-F503 AromaticContact CE3-CD1 3.72Å; W243-F503 HydrophobicContact CE3-CD1 3.72Å; W243-F503 HydrophobicContact CE3-CE1 4.18Å; W243-F503 HydrophobicContact CE3-CG 4.12Å; W243-F503 HydrophobicContact CZ3-CB 4.14Å; W243-F503 HydrophobicContact CZ3-CD1 4.26Å; W243-F503 HydrophobicContact CZ3-CG 4.25Å
244D88.8Confident90.9Very high71 Ų7155.5 Ų55.538%0.3828%0.275SS..Hα-helixtrans-69.2-48178.4-82.510.7000111.8K218 K240 W241 T246 N247K218-D244 IonicContact NZ-OD1 2.65Å; K218-D244 IonicContact NZ-OD2 2.89Å; K218-D244 PolarHBondContact NZ-OD2 3.31Å; K240-D244 PolarHBondContact O-N 2.86Å; W241-D244 PolarHBondContact O-N 2.92Å; D244-T246 PolarHBondContact O-N 2.91Å; D244-N247 WeakPolarHBondContact O-CA 3.26Å; D244-N247 PolarHBondContact O-N 3.33Å
245E88.8Confident91.4Very high137 Ų13749.1 Ų49.164%0.6425%0.247SC*.Hα-helixtrans-60.8-33-178.4-173.268.5-178.100112.2W241 N247W241-E245 VanDerWaalsContact O-CB 3.25Å; W241-E245 WeakPolarHBondContact O-CB 3.39Å; W241-E245 PolarHBondContact O-N 2.82Å; E245-N247 VanDerWaalsContact C-N 3.34Å
246T89.8Confident91.8Very high45 Ų4548.9 Ų48.928%0.27625%0.246SC..THydrogen-bonded Turntrans-92.46.6176.562.30000113.6H242 D244 Q248 F503H242-T246 WeakPolarHBondContact O-CB 3.32Å; H242-T246 WeakPolarHBondContact O-CG2 3.3Å; H242-T246 PolarHBondContact O-N 3.45Å; H242-T246 VanDerWaalsContact O-N 3.08Å; H242-T246 PolarHBondContact O-OG1 2.98Å; D244-T246 PolarHBondContact O-N 2.91Å; T246-Q248 VanDerWaalsContact C-N 3.34Å; T246-Q248 PolarHBondContact O-N 3.49Å; T246-Q248 PolarHBondContact O-NE2 2.88Å; T246-Q248 WeakPolarHBondContact OG1-CG 2.93Å; T246-Q248 PolarHBondContact OG1-NE2 3.45Å; T246-F503 WeakPolarHBondContact OG1-CZ 3.39Å
247N92.6Very high92Very high101 Ų10151.8 Ų51.854%0.5426%0.256SS..THydrogen-bonded Turntrans52.344.1177.2-169.324.9000114W243 D244 E245 D249 G250 I251W243-N247 PolarHBondContact O-N 3.11Å; D244-N247 WeakPolarHBondContact O-CA 3.26Å; D244-N247 PolarHBondContact O-N 3.33Å; E245-N247 VanDerWaalsContact C-N 3.34Å; N247-D249 VanDerWaalsContact C-N 3.26Å; N247-D249 PolarHBondContact O-N 3.47Å; N247-G250 PolarHBondContact O-N 3.35Å; N247-G250 VanDerWaalsContact O-N 3.11Å; N247-G250 WeakPolarHBondContact OD1-CA 3.43Å; N247-G250 PolarHBondContact OD1-N 3.4Å; N247-I251 PolarHBondContact O-N 3.1Å
248Q94.6Very high92.5Very high4 Ų450.1 Ų50.12%0.01924%0.24CC..Hα-helixtrans-62-34.8-179.3-64.1-51.2-45.600112.4W243 T246 G250 I251 E252 C279 H499 F503W243-Q248 HydrophobicContact CD2-CB 3.48Å; W243-Q248 VanDerWaalsContact CD2-CB 3.48Å; W243-Q248 HydrophobicContact CD2-CG 3.86Å; W243-Q248 VanDerWaalsContact CE2-CB 3.41Å; W243-Q248 HydrophobicContact CE3-CB 3.83Å; W243-Q248 HydrophobicContact CE3-CG 3.86Å; W243-Q248 HydrophobicContact CG-CB 3.92Å; W243-Q248 HydrophobicContact CG-CG 4.2Å; W243-Q248 HydrophobicContact CH2-CB 4.07Å; W243-Q248 HydrophobicContact CZ2-CB 3.74Å; W243-Q248 HydrophobicContact CZ3-CB 4.09Å; W243-Q248 HydrophobicContact CZ3-CG 4.29Å; W243-Q248 PolarHBondContact O-N 3.24Å; W243-Q248 VanDerWaalsContact O-N 3.07Å; T246-Q248 VanDerWaalsContact C-N 3.34Å; T246-Q248 PolarHBondContact O-N 3.49Å; T246-Q248 PolarHBondContact O-NE2 2.88Å; T246-Q248 WeakPolarHBondContact OG1-CG 2.93Å; T246-Q248 PolarHBondContact OG1-NE2 3.45Å; Q248-G250 VanDerWaalsContact C-N 3.3Å; Q248-G250 PolarHBondContact O-N 3.03Å; Q248-I251 PolarHBondContact O-N 3.35Å; Q248-E252 PolarHBondContact O-N 3.06Å; Q248-C279 PolarHBondContact OE1-SG 2.84Å; Q248-H499 PolarHBondContact OE1-CE1 3.45Å; Q248-H499 PolarHBondContact OE1-NE2 3.02Å; Q248-H499 VanDerWaalsContact OE1-NE2 3.14Å; Q248-F503 HydrophobicContact CG-CD2 4.02Å; Q248-F503 HydrophobicContact CG-CE1 4.43Å; Q248-F503 HydrophobicContact CG-CE2 3.73Å; Q248-F503 HydrophobicContact CG-CG 4.49Å; Q248-F503 HydrophobicContact CG-CZ 3.95Å
249D93Very high92.9Very high19 Ų1948.3 Ų48.310%0.10223%0.23CC..Hα-helixtrans-59.3-40173.9-72.1-19.3000112.4K218 R219 W243 N247 E252 M253K218-D249 WeakPolarHBondContact CA-OD2 3.27Å; K218-D249 VanDerWaalsContact CB-OD2 3.24Å; K218-D249 WeakPolarHBondContact CB-OD2 3.4Å; K218-D249 WeakPolarHBondContact CG-OD2 3.46Å; R219-D249 VanDerWaalsContact CG-OD1 3.26Å; R219-D249 WeakPolarHBondContact CG-OD1 3.35Å; R219-D249 PolarHBondContact N-OD1 3.19Å; R219-D249 PolarHBondContact N-OD2 2.99Å; W243-D249 PolarHBondContact NE1-OD1 2.89Å; N247-D249 VanDerWaalsContact C-N 3.26Å; N247-D249 PolarHBondContact O-N 3.47Å; D249-E252 PolarHBondContact O-N 2.88Å; D249-M253 PolarHBondContact O-N 2.73Å
250G92.3Very high93Very high20 Ų2049 Ų4921%0.20623%0.233CC..Hα-helixtrans-66.7-38.6176.500000112.7N247 Q248 E252 M253 Q254N247-G250 PolarHBondContact O-N 3.35Å; N247-G250 VanDerWaalsContact O-N 3.11Å; N247-G250 WeakPolarHBondContact OD1-CA 3.43Å; N247-G250 PolarHBondContact OD1-N 3.4Å; Q248-G250 VanDerWaalsContact C-N 3.3Å; Q248-G250 PolarHBondContact O-N 3.03Å; G250-E252 VanDerWaalsContact C-N 3.34Å; G250-M253 PolarHBondContact O-N 2.89Å; G250-Q254 PolarHBondContact O-N 2.69Å
251I93.7Very high93.2Very high32 Ų3244.9 Ų44.916%0.16422%0.216CC..Hα-helixtrans-62.8-42.4173.9-63.9177.8000110.4N247 Q248 Q254 A255 L267 C279 L281N247-I251 PolarHBondContact O-N 3.1Å; Q248-I251 PolarHBondContact O-N 3.35Å; I251-Q254 PolarHBondContact O-N 3.08Å; I251-A255 WeakPolarHBondContact O-CB 3.47Å; I251-A255 PolarHBondContact O-N 3.01Å; I251-L267 HydrophobicContact CG2-CD1 3.63Å; I251-C279 HydrophobicContact CD1-CB 3.68Å; I251-C279 HydrophobicContact CG2-CB 4.44Å; I251-L281 HydrophobicContact CG2-CD1 4.08Å; I251-L281 HydrophobicContact CG2-CD2 4.25Å; I251-L281 HydrophobicContact CG2-CG 4.04Å
252E94.1Very high93.5Very high1 Ų137.9 Ų37.91%0.00519%0.189CC..Hα-helixtrans-66.8-39176.5-70.2-178.3170.500113.1R219 W243 Q248 D249 G250 Q254 A255 I256 V496 H499R219-E252 VanDerWaalsContact CD-OE2 3.23Å; R219-E252 WeakPolarHBondContact CD-OE2 3.22Å; R219-E252 WeakPolarHBondContact CG-OE2 3.06Å; R219-E252 IonicContact CZ-OE2 4Å; R219-E252 IonicContact NE-OE2 2.89Å; R219-E252 PolarHBondContact NE-OE2 2.93Å; W243-E252 WeakPolarHBondContact CH2-OE1 3.3Å; W243-E252 WeakPolarHBondContact CZ2-OE1 3.26Å; Q248-E252 PolarHBondContact O-N 3.06Å; D249-E252 PolarHBondContact O-N 2.88Å; G250-E252 VanDerWaalsContact C-N 3.34Å; E252-Q254 VanDerWaalsContact C-N 3.3Å; E252-Q254 PolarHBondContact O-N 3.41Å; E252-A255 WeakPolarHBondContact O-CB 3.2Å; E252-A255 PolarHBondContact O-N 2.91Å; E252-A255 VanDerWaalsContact O-N 3.17Å; E252-I256 WeakPolarHBondContact O-CG1 3.41Å; E252-I256 PolarHBondContact O-N 2.7Å; E252-V496 WeakPolarHBondContact OE1-CG2 3.29Å; E252-H499 IonicContact OE1-CE1 3.33Å; E252-H499 IonicContact OE1-CG 3.91Å; E252-H499 IonicContact OE1-ND1 3.82Å; E252-H499 PolarHBondContact OE1-ND1 3.3Å
253M93.5Very high93.6Very high80 Ų8036.5 Ų36.539%0.39419%0.185SC..Hα-helixtrans-59.4-44.6173.8-171.9-78-77.100110.7D249 G250 A255 I256 R257D249-M253 PolarHBondContact O-N 2.73Å; G250-M253 PolarHBondContact O-N 2.89Å; M253-A255 VanDerWaalsContact C-N 3.33Å; M253-A255 PolarHBondContact O-N 3.47Å; M253-I256 PolarHBondContact O-N 3.07Å; M253-R257 PolarHBondContact O-N 3.13Å
254Q93.2Very high93.5Very high110 Ų11036.6 Ų36.651%0.51419%0.185SC..Hα-helixtrans-66-36175.9-169.1170.1-1.300112G250 I251 E252 R257 I258 L281G250-Q254 PolarHBondContact O-N 2.69Å; I251-Q254 PolarHBondContact O-N 3.08Å; E252-Q254 VanDerWaalsContact C-N 3.3Å; E252-Q254 PolarHBondContact O-N 3.41Å; Q254-R257 PolarHBondContact O-N 2.87Å; Q254-I258 HydrophobicContact CG-CD1 4.06Å; Q254-I258 WeakPolarHBondContact O-CD1 3.41Å; Q254-I258 VanDerWaalsContact O-CG1 3.26Å; Q254-I258 WeakPolarHBondContact O-CG1 3.33Å; Q254-I258 PolarHBondContact O-N 3.43Å; Q254-L281 HydrophobicContact CB-CD1 3.76Å; Q254-L281 HydrophobicContact CG-CD1 3.75Å
255A95.5Very high93.9Very high0 Ų033.2 Ų33.20%017%0.167CC..Hα-helixtrans-62.2-44.717500000112.4I251 E252 M253 R257 I258 Q259 V265 L281 W492 F495I251-A255 WeakPolarHBondContact O-CB 3.47Å; I251-A255 PolarHBondContact O-N 3.01Å; E252-A255 WeakPolarHBondContact O-CB 3.2Å; E252-A255 PolarHBondContact O-N 2.91Å; E252-A255 VanDerWaalsContact O-N 3.17Å; M253-A255 VanDerWaalsContact C-N 3.33Å; M253-A255 PolarHBondContact O-N 3.47Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 3.43Å; A255-I258 PolarHBondContact O-N 3.2Å; A255-Q259 PolarHBondContact O-N 3.28Å; A255-V265 HydrophobicContact CB-CG1 4.38Å; A255-V265 HydrophobicContact CB-CG2 4.15Å; A255-L281 HydrophobicContact CB-CD2 3.68Å; A255-W492 HydrophobicContact CB-CZ3 4.44Å; A255-F495 HydrophobicContact CB-CE1 4.3Å; A255-F495 HydrophobicContact CB-CZ 4.12Å
256I95.3Very high94.1Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-57.8-49.1174.1-68.3161.3000110L214 E252 M253 I258 Q259 Q260 W492 F533L214-I256 HydrophobicContact CB-CD1 4.45Å; L214-I256 HydrophobicContact CD2-CD1 3.73Å; L214-I256 HydrophobicContact CD2-CG1 4.03Å; L214-I256 HydrophobicContact CD2-CG2 4.03Å; L214-I256 HydrophobicContact CG-CD1 3.86Å; E252-I256 WeakPolarHBondContact O-CG1 3.41Å; E252-I256 PolarHBondContact O-N 2.7Å; M253-I256 PolarHBondContact O-N 3.07Å; I256-I258 VanDerWaalsContact C-N 3.32Å; I256-I258 PolarHBondContact O-N 3.16Å; I256-Q259 PolarHBondContact O-N 3.37Å; I256-Q260 HydrophobicContact CG2-CG 4.26Å; I256-Q260 VanDerWaalsContact O-CB 3.29Å; I256-Q260 WeakPolarHBondContact O-CB 3.3Å; I256-Q260 WeakPolarHBondContact O-CG 3.5Å; I256-Q260 PolarHBondContact O-N 2.97Å; I256-W492 VanDerWaalsContact CA-CH2 3.49Å; I256-W492 HydrophobicContact CB-CH2 4.21Å; I256-W492 HydrophobicContact CB-CZ2 4.23Å; I256-W492 HydrophobicContact CG1-CD2 4.15Å; I256-W492 HydrophobicContact CG1-CE3 4Å; I256-W492 HydrophobicContact CG1-CH2 3.74Å; I256-W492 HydrophobicContact CG1-CZ2 3.85Å; I256-W492 HydrophobicContact CG1-CZ3 3.81Å; I256-F533 HydrophobicContact CD1-CD1 4.28Å; I256-F533 HydrophobicContact CD1-CE1 3.4Å; I256-F533 HydrophobicContact CD1-CZ 3.74Å; I256-F533 HydrophobicContact CG1-CZ 4.46Å
257R95.8Very high94.5Very high85 Ų8524.5 Ų24.532%0.32112%0.123SC..Hα-helixtrans-60.1-41.4-179.2-166.5176-173.4-84.7-3112.3V207 D208 S211 M253 Q254 A255 S261V207-R257 HydrophobicContact CG1-CG 3.74Å; D208-R257 IonicContact OD1-CZ 3.79Å; D208-R257 IonicContact OD1-NE 3.83Å; D208-R257 PolarHBondContact OD1-NE 2.8Å; D208-R257 IonicContact OD1-NH2 3.91Å; D208-R257 PolarHBondContact OD1-NH2 3.2Å; D208-R257 VanDerWaalsContact OD1-NH2 3.16Å; S211-R257 WeakPolarHBondContact OG-CA 3.5Å; M253-R257 PolarHBondContact O-N 3.13Å; Q254-R257 PolarHBondContact O-N 2.87Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 3.43Å; R257-S261 VanDerWaalsContact O-CB 3.22Å; R257-S261 WeakPolarHBondContact O-CB 3.4Å; R257-S261 PolarHBondContact O-N 3.14Å; R257-S261 PolarHBondContact O-OG 3.12Å
258I95.7Very high94.6Very high13 Ų1320.4 Ų20.47%0.06710%0.101CC..Hα-helixtrans-63.8-50.8177.1-71.8162.6000110.7Q254 A255 I256 Q260 S261 Y262 D264 V265 L281Q254-I258 HydrophobicContact CG-CD1 4.06Å; Q254-I258 WeakPolarHBondContact O-CD1 3.41Å; Q254-I258 VanDerWaalsContact O-CG1 3.26Å; Q254-I258 WeakPolarHBondContact O-CG1 3.33Å; Q254-I258 PolarHBondContact O-N 3.43Å; A255-I258 PolarHBondContact O-N 3.2Å; I256-I258 VanDerWaalsContact C-N 3.32Å; I256-I258 PolarHBondContact O-N 3.16Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.27Å; I258-S261 WeakPolarHBondContact O-CB 3.07Å; I258-S261 PolarHBondContact O-N 3.37Å; I258-Y262 HydrophobicContact CG2-CD2 4.21Å; I258-Y262 WeakPolarHBondContact O-CD2 3.37Å; I258-Y262 PolarHBondContact O-N 3.27Å; I258-D264 WeakPolarHBondContact CG2-O 3.46Å; I258-V265 HydrophobicContact CB-CB 4.26Å; I258-V265 HydrophobicContact CB-CG2 3.97Å; I258-V265 HydrophobicContact CD1-CG2 4.28Å; I258-V265 HydrophobicContact CG2-CB 3.8Å; I258-V265 HydrophobicContact CG2-CG2 3.7Å; I258-L281 HydrophobicContact CD1-CB 4.19Å; I258-L281 HydrophobicContact CD1-CD1 4.01Å
259Q95.7Very high94.7Very high10 Ų1020.2 Ų20.25%0.04710%0.1CC..Hα-helixtrans-61-43.3179.4-177.6-81.7-56.300111.3A255 I256 S261 G263 V265 K362 G364 D365 W492A255-Q259 PolarHBondContact O-N 3.28Å; I256-Q259 PolarHBondContact O-N 3.37Å; Q259-S261 PolarHBondContact O-N 3.2Å; Q259-G263 VanDerWaalsContact O-CA 3.23Å; Q259-G263 WeakPolarHBondContact O-CA 3.43Å; Q259-G263 PolarHBondContact O-N 3.35Å; Q259-V265 HydrophobicContact CB-CB 4.23Å; Q259-V265 HydrophobicContact CB-CG1 3.88Å; Q259-K362 HydrophobicContact CG-CG 4.13Å; Q259-G364 PolarHBondContact NE2-O 3.19Å; Q259-D365 PolarHBondContact NE2-O 3.44Å; Q259-W492 HydrophobicContact CB-CH2 3.98Å; Q259-W492 HydrophobicContact CB-CZ2 3.84Å; Q259-W492 HydrophobicContact CG-CH2 4.48Å; Q259-W492 HydrophobicContact CG-CZ2 4.02Å
260Q95.4Very high94.7Very high14 Ų1423.6 Ų23.67%0.06511%0.112CC..Hα-helixtrans-67-17.6177.4-77.6-174.8-2.800113.7V207 S211 I256 I258 V366 A367 W368V207-Q260 HydrophobicContact CG1-CB 4.44Å; S211-Q260 PolarHBondContact OG-OE1 3.02Å; I256-Q260 HydrophobicContact CG2-CG 4.26Å; I256-Q260 VanDerWaalsContact O-CB 3.29Å; I256-Q260 WeakPolarHBondContact O-CB 3.3Å; I256-Q260 WeakPolarHBondContact O-CG 3.5Å; I256-Q260 PolarHBondContact O-N 2.97Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.27Å; Q260-V366 CarbonylContact O-C 3.56Å; Q260-V366 VanDerWaalsContact O-CA 3.31Å; Q260-V366 WeakPolarHBondContact O-CA 3.3Å; Q260-V366 WeakPolarHBondContact O-CB 3.42Å; Q260-A367 HydrophobicContact CB-CB 4.1Å; Q260-A367 HydrophobicContact CG-CB 4.42Å; Q260-A367 PolarHBondContact O-N 3.35Å; Q260-W368 WeakPolarHBondContact O-CZ3 3.46Å
261S96.1Very high94.6Very high1 Ų125 Ų251%0.00711%0.114CC..Hα-helixtrans-95.4-38.6179.6-65.10000113R257 I258 Q259 W368R257-S261 VanDerWaalsContact O-CB 3.22Å; R257-S261 WeakPolarHBondContact O-CB 3.4Å; R257-S261 PolarHBondContact O-N 3.14Å; R257-S261 PolarHBondContact O-OG 3.12Å; I258-S261 WeakPolarHBondContact O-CB 3.07Å; I258-S261 PolarHBondContact O-N 3.37Å; Q259-S261 PolarHBondContact O-N 3.2Å; S261-W368 WeakPolarHBondContact O-CH2 3.43Å
262Y94.5Very high94.4Very high18 Ų1825 Ų257%0.07111%0.114CC..Hα-helixtrans-126.1-2.6-168.5-53.7-66.7000114.1Q158 A162 L165 I258 D264 Y284 E285Q158-Y262 WeakPolarHBondContact CG-O 3.2Å; Q158-Y262 PolarHBondContact NE2-O 2.64Å; A162-Y262 HydrophobicContact CB-CD1 4.42Å; A162-Y262 HydrophobicContact CB-CE1 4.07Å; L165-Y262 HydrophobicContact CD2-CE1 4.35Å; I258-Y262 HydrophobicContact CG2-CD2 4.21Å; I258-Y262 WeakPolarHBondContact O-CD2 3.37Å; I258-Y262 PolarHBondContact O-N 3.27Å; Y262-D264 VanDerWaalsContact C-N 3.33Å; Y262-D264 PolarHBondContact O-N 2.71Å; Y262-Y284 HydrophobicContact CD1-CD1 4.3Å; Y262-E285 HydrophobicContact CE1-CB 4.5Å; Y262-E285 HydrophobicContact CE2-CB 3.76Å; Y262-E285 WeakPolarHBondContact CE2-OE2 3.46Å; Y262-E285 PolarHBondContact OH-OE2 2.72Å
263G91.8Very high94Very high6 Ų634.1 Ų34.16%0.06216%0.157CC..SBendtrans88.1-14.5175.600000115.2Q259 R363 G364Q259-G263 VanDerWaalsContact O-CA 3.23Å; Q259-G263 WeakPolarHBondContact O-CA 3.43Å; Q259-G263 PolarHBondContact O-N 3.35Å; G263-R363 WeakPolarHBondContact O-CA 3.4Å; G263-G364 CarbonylContact C-O 3.46Å; G263-G364 VanDerWaalsContact CA-O 3.23Å; G263-G364 WeakPolarHBondContact CA-O 3.28Å; G263-G364 PolarHBondContact O-N 3.23Å
264D93.9Very high93.6Very high1 Ų136.2 Ų36.21%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-147.7162171.160.926.5000113.1Q158 I258 Y262 K362 R363Q158-D264 PolarHBondContact NE2-OD1 2.87Å; Q158-D264 PolarHBondContact NE2-OD2 3.25Å; I258-D264 WeakPolarHBondContact CG2-O 3.46Å; Y262-D264 VanDerWaalsContact C-N 3.33Å; Y262-D264 PolarHBondContact O-N 2.71Å; D264-K362 CarbonylContact C-O 3.52Å; D264-K362 VanDerWaalsContact CA-O 3.24Å; D264-K362 WeakPolarHBondContact CA-O 3.47Å; D264-R363 HydrophobicContact CB-CB 4.27Å; D264-R363 HydrophobicContact CB-CG 4.39Å; D264-R363 IonicContact OD2-CZ 3.76Å; D264-R363 VanDerWaalsContact OD2-CZ 3.29Å; D264-R363 IonicContact OD2-NH1 3.24Å; D264-R363 PolarHBondContact OD2-NH1 2.83Å; D264-R363 IonicContact OD2-NH2 3.77Å; D264-R363 PolarHBondContact OD2-NH2 2.97Å
265V95.5Very high93.4Very high0 Ų035.2 Ų35.20%017%0.168CC..EExtended strand (participates in β ladder)trans-148.6144173.266.40000110.4A255 I258 Q259 L281 T361 K362 W492 F495A255-V265 HydrophobicContact CB-CG1 4.38Å; A255-V265 HydrophobicContact CB-CG2 4.15Å; I258-V265 HydrophobicContact CB-CB 4.26Å; I258-V265 HydrophobicContact CB-CG2 3.97Å; I258-V265 HydrophobicContact CD1-CG2 4.28Å; I258-V265 HydrophobicContact CG2-CB 3.8Å; I258-V265 HydrophobicContact CG2-CG2 3.7Å; Q259-V265 HydrophobicContact CB-CB 4.23Å; Q259-V265 HydrophobicContact CB-CG1 3.88Å; V265-L281 HydrophobicContact CG2-CD2 3.97Å; V265-T361 WeakPolarHBondContact O-CA 3.49Å; V265-K362 HydrophobicContact CG1-CB 4.04Å; V265-K362 PolarHBondContact N-O 2.5Å; V265-K362 PolarHBondContact O-N 3.06Å; V265-W492 HydrophobicContact CG1-CH2 4.16Å; V265-F495 HydrophobicContact CG1-CE2 4.3Å
266G94.3Very high93.2Very high0 Ų038.5 Ų38.50%018%0.183CC..EExtended strand (participates in β ladder)trans-113138.2167.200000111.1L281 F282 I360G266-L281 CarbonylContact O-C 3.54Å; G266-L281 WeakPolarHBondContact O-CA 3.23Å; G266-F282 PolarHBondContact N-O 3.04Å; G266-F282 VanDerWaalsContact N-O 3.08Å; G266-F282 PolarHBondContact O-N 3.4Å; G266-I360 CarbonylContact C-O 3.56Å; G266-I360 WeakPolarHBondContact CA-O 3.4Å
267L97.1Very high93.2Very high0 Ų038.6 Ų38.60%018%0.184CC..EExtended strand (participates in β ladder)trans-125.5112.5173.1172.762.5000108.6I251 C279 R280 L281 I360 F495 H499I251-L267 HydrophobicContact CG2-CD1 3.63Å; L267-C279 HydrophobicContact CD1-CB 3.99Å; L267-R280 WeakPolarHBondContact CA-O 3.4Å; L267-L281 HydrophobicContact CB-CD2 4.01Å; L267-L281 HydrophobicContact CD1-CD2 3.79Å; L267-L281 HydrophobicContact CD1-CG 4.27Å; L267-L281 HydrophobicContact CG-CD2 4.43Å; L267-I360 HydrophobicContact CB-CB 4.29Å; L267-I360 HydrophobicContact CB-CD1 4.32Å; L267-I360 HydrophobicContact CD2-CD1 3.9Å; L267-I360 HydrophobicContact CG-CD1 3.94Å; L267-I360 PolarHBondContact N-O 3.1Å; L267-I360 PolarHBondContact O-N 2.99Å; L267-F495 HydrophobicContact CB-CE2 4.45Å; L267-F495 HydrophobicContact CB-CZ 3.88Å; L267-F495 HydrophobicContact CD2-CE1 4.05Å; L267-F495 HydrophobicContact CD2-CZ 3.92Å; L267-H499 HydrophobicContact CD2-CB 4.33Å
268L95Very high93Very high15 Ų1538.1 Ų38.18%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-98.3123.8178.3178.168.4000110.4Y270 C279 R280 F282 Y319 P358 L359L268-Y270 HydrophobicContact CD2-CD1 4.49Å; L268-Y270 HydrophobicContact CG-CD1 4.43Å; L268-C279 CarbonylContact O-C 3.47Å; L268-C279 WeakPolarHBondContact O-CA 3.37Å; L268-R280 PolarHBondContact N-O 2.8Å; L268-R280 PolarHBondContact O-N 3.14Å; L268-F282 HydrophobicContact CB-CD2 4.35Å; L268-F282 HydrophobicContact CB-CE2 3.65Å; L268-F282 HydrophobicContact CB-CZ 4.48Å; L268-F282 HydrophobicContact CD2-CE2 3.93Å; L268-F282 HydrophobicContact CD2-CZ 4.09Å; L268-F282 HydrophobicContact CG-CE2 4.4Å; L268-Y319 HydrophobicContact CD1-CE1 4.04Å; L268-Y319 HydrophobicContact CD1-CE2 4.32Å; L268-P358 HydrophobicContact CD1-CB 4.02Å; L268-P358 HydrophobicContact CD1-CG 4.05Å; L268-L359 HydrophobicContact CB-CD1 4.25Å; L268-L359 HydrophobicContact CD1-CB 4.33Å
269V96.7Very high93Very high0 Ų038.6 Ų38.60%019%0.188CC..EExtended strand (participates in β ladder)trans-97.7123.2169.8-174.40000108.7V277 K278 F354 P358 I360 L502V269-V277 HydrophobicContact CG1-CG2 3.69Å; V269-K278 WeakPolarHBondContact CA-O 3.49Å; V269-F354 HydrophobicContact CG1-CE1 4.16Å; V269-F354 HydrophobicContact CG1-CZ 4.09Å; V269-F354 WeakPolarHBondContact O-CE2 3.34Å; V269-P358 PolarHBondContact N-O 2.83Å; V269-P358 WeakPolarHBondContact O-CB 3.44Å; V269-I360 HydrophobicContact CG2-CD1 3.76Å; V269-L502 HydrophobicContact CB-CB 4.08Å; V269-L502 HydrophobicContact CG1-CB 4.2Å; V269-L502 HydrophobicContact CG2-CB 3.92Å; V269-L502 HydrophobicContact CG2-CD1 4.28Å
270Y92.8Very high92.9Very high90 Ų9043.8 Ų43.835%0.35321%0.207SC..EExtended strand (participates in β ladder)trans-141.6163.6-176.170.2-77.9000111.9L268 N272 K278 R280L268-Y270 HydrophobicContact CD2-CD1 4.49Å; L268-Y270 HydrophobicContact CG-CD1 4.43Å; Y270-N272 HydrophobicContact CE2-CB 4.21Å; Y270-K278 HydrophobicContact CD1-CB 4.31Å; Y270-K278 WeakPolarHBondContact CD1-O 3.37Å; Y270-K278 HydrophobicContact CE1-CB 3.72Å; Y270-K278 HydrophobicContact CE2-CB 4.18Å; Y270-K278 PolarHBondContact N-O 2.71Å; Y270-K278 PolarHBondContact O-N 3.49Å; Y270-R280 HydrophobicContact CE1-CB 4.03Å
271M91.6Very high93Very high48 Ų4844.3 Ų44.324%0.23621%0.211CC..EExtended strand (participates in β ladder)trans-95125.7169.5-55.5-60.4-66.200107.9N275 E276 V277 F354 K509 Q510M271-N275 HydrophobicContact CE-CB 4.48Å; M271-N275 WeakPolarHBondContact CE-O 3.12Å; M271-E276 WeakPolarHBondContact CA-O 3.31Å; M271-V277 HydrophobicContact SD-CB 4.22Å; M271-F354 HydrophobicContact CG-CE2 4.38Å; M271-F354 HydrophobicContact CG-CZ 4.23Å; M271-F354 HydrophobicContact SD-CZ 4.2Å; M271-K509 HydrophobicContact CE-CB 3.88Å; M271-K509 HydrophobicContact SD-CB 4.44Å; M271-Q510 HydrophobicContact CE-CB 4.29Å
272N88.4Confident92.9Very high33 Ų3344.8 Ų44.818%0.17621%0.213CC..  trans-74.6179.8173.872.4-4.1000111.4Y270 D274 N275 E276 K278Y270-N272 HydrophobicContact CE2-CB 4.21Å; N272-D274 PolarHBondContact O-N 3.07Å; N272-D274 PolarHBondContact OD1-N 3.5Å; N272-D274 VanDerWaalsContact OD1-N 3.13Å; N272-N275 PolarHBondContact O-N 2.87Å; N272-N275 PolarHBondContact OD1-N 3.12Å; N272-E276 PolarHBondContact N-O 2.9Å; N272-E276 PolarHBondContact ND2-OE2 3.11Å; N272-E276 WeakPolarHBondContact OD1-CA 3.36Å; N272-E276 WeakPolarHBondContact OD1-CB 3.27Å; N272-E276 PolarHBondContact OD1-N 2.96Å; N272-E276 PolarHBondContact OD1-O 2.78Å; N272-K278 HydrophobicContact CB-CG 4.2Å
273E85.1Confident92.9Very high193 Ų19344 Ų4490%0.90221%0.21SC*.THydrogen-bonded Turntrans-60.4-25.4179.1-63.3-175.5176.200113.3N275E273-N275 VanDerWaalsContact C-N 3.29Å; E273-N275 PolarHBondContact O-N 3.12Å
274D87.1Confident92.8Very high123 Ų12346.5 Ų46.566%0.65822%0.218SC*.THydrogen-bonded Turntrans-86.55.1178.4-57.3-51.2000113.2N272 E276N272-D274 PolarHBondContact O-N 3.07Å; N272-D274 PolarHBondContact OD1-N 3.5Å; N272-D274 VanDerWaalsContact OD1-N 3.13Å; D274-E276 VanDerWaalsContact C-N 3.3Å; D274-E276 HydrophobicContact CB-CG 4.25Å; D274-E276 PolarHBondContact O-N 3.35Å
275N88.2Confident92.6Very high89 Ų8952.5 Ų52.548%0.47625%0.246SC..SBendtrans61.330.5-173.6-55.4-74.7000114.6M271 N272 E273 Q510 A513M271-N275 HydrophobicContact CE-CB 4.48Å; M271-N275 WeakPolarHBondContact CE-O 3.12Å; N272-N275 PolarHBondContact O-N 2.87Å; N272-N275 PolarHBondContact OD1-N 3.12Å; E273-N275 VanDerWaalsContact C-N 3.29Å; E273-N275 PolarHBondContact O-N 3.12Å; N275-Q510 VanDerWaalsContact O-CA 3.32Å; N275-Q510 WeakPolarHBondContact O-CA 3.24Å; N275-Q510 WeakPolarHBondContact O-CB 3.39Å; N275-A513 HydrophobicContact CB-CB 3.73Å
276E91.1Very high92.2Very high70 Ų7057.4 Ų57.433%0.32727%0.272SS..  trans-94.2142.8169.6-54.1-178.615600111M271 N272 D274 K278 Q510M271-E276 WeakPolarHBondContact CA-O 3.31Å; N272-E276 PolarHBondContact N-O 2.9Å; N272-E276 PolarHBondContact ND2-OE2 3.11Å; N272-E276 WeakPolarHBondContact OD1-CA 3.36Å; N272-E276 WeakPolarHBondContact OD1-CB 3.27Å; N272-E276 PolarHBondContact OD1-N 2.96Å; N272-E276 PolarHBondContact OD1-O 2.78Å; D274-E276 VanDerWaalsContact C-N 3.3Å; D274-E276 HydrophobicContact CB-CG 4.25Å; D274-E276 PolarHBondContact O-N 3.35Å; E276-K278 WeakPolarHBondContact OE2-CE 3.01Å; E276-K278 IonicContact OE2-NZ 3.93Å; E276-K278 PolarHBondContact OE2-NZ 3.24Å; E276-Q510 VanDerWaalsContact CA-OE1 3.32Å
277V94.9Very high91.9Very high2 Ų259.5 Ų59.51%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-73.8128.717266.10000109.9V269 M271 F503 L507V269-V277 HydrophobicContact CG1-CG2 3.69Å; M271-V277 HydrophobicContact SD-CB 4.22Å; V277-F503 HydrophobicContact CG1-CD2 4.12Å; V277-F503 HydrophobicContact CG1-CE2 3.69Å; V277-F503 HydrophobicContact CG1-CZ 4.15Å; V277-F503 HydrophobicContact CG2-CD2 4.11Å; V277-F503 HydrophobicContact CG2-CE2 4.43Å; V277-L507 HydrophobicContact CG1-CB 4.29Å
278K92.9Very high91.7Very high75 Ų7561.4 Ų61.433%0.32630%0.301SS..EExtended strand (participates in β ladder)trans-132.8158.9176.3-60.8-64.1-179.3-163.10110.4V269 Y270 N272 E276V269-K278 WeakPolarHBondContact CA-O 3.49Å; Y270-K278 HydrophobicContact CD1-CB 4.31Å; Y270-K278 WeakPolarHBondContact CD1-O 3.37Å; Y270-K278 HydrophobicContact CE1-CB 3.72Å; Y270-K278 HydrophobicContact CE2-CB 4.18Å; Y270-K278 PolarHBondContact N-O 2.71Å; Y270-K278 PolarHBondContact O-N 3.49Å; N272-K278 HydrophobicContact CB-CG 4.2Å; E276-K278 WeakPolarHBondContact OE2-CE 3.01Å; E276-K278 IonicContact OE2-NZ 3.93Å; E276-K278 PolarHBondContact OE2-NZ 3.24Å
279C95.7Very high91.4Very high23 Ų2364.4 Ų64.416%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-125.4136.8180-69.90000109.7Q248 I251 L267 L268Q248-C279 PolarHBondContact OE1-SG 2.84Å; I251-C279 HydrophobicContact CD1-CB 3.68Å; I251-C279 HydrophobicContact CG2-CB 4.44Å; L267-C279 HydrophobicContact CD1-CB 3.99Å; L268-C279 CarbonylContact O-C 3.47Å; L268-C279 WeakPolarHBondContact O-CA 3.37Å
280R92.8Very high91.1Very high118 Ų11864.7 Ų64.745%0.44532%0.316SS..EExtended strand (participates in β ladder)trans-131.4132.7177.8-179.7176.6-177.9176.22.2110.7L267 L268 Y270 F282 Y288L267-R280 WeakPolarHBondContact CA-O 3.4Å; L268-R280 PolarHBondContact N-O 2.8Å; L268-R280 PolarHBondContact O-N 3.14Å; Y270-R280 HydrophobicContact CE1-CB 4.03Å; R280-F282 HydrophobicContact CG-CE1 4.36Å; R280-F282 HydrophobicContact CG-CZ 4.43Å; R280-Y288 PolarHBondContact NH2-OH 2.89Å
281L96.9Very high90.7Very high26 Ų2663.4 Ų63.414%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-89.5145.7173.4-68.4166.6000111I251 Q254 A255 I258 V265 G266 L267I251-L281 HydrophobicContact CG2-CD1 4.08Å; I251-L281 HydrophobicContact CG2-CD2 4.25Å; I251-L281 HydrophobicContact CG2-CG 4.04Å; Q254-L281 HydrophobicContact CB-CD1 3.76Å; Q254-L281 HydrophobicContact CG-CD1 3.75Å; A255-L281 HydrophobicContact CB-CD2 3.68Å; I258-L281 HydrophobicContact CD1-CB 4.19Å; I258-L281 HydrophobicContact CD1-CD1 4.01Å; V265-L281 HydrophobicContact CG2-CD2 3.97Å; G266-L281 CarbonylContact O-C 3.54Å; G266-L281 WeakPolarHBondContact O-CA 3.23Å; L267-L281 HydrophobicContact CB-CD2 4.01Å; L267-L281 HydrophobicContact CD1-CD2 3.79Å; L267-L281 HydrophobicContact CD1-CG 4.27Å; L267-L281 HydrophobicContact CG-CD2 4.43Å
282F93.9Very high90.2Very high11 Ų1163.1 Ų63.15%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-122.3126171.8-65.4-61.9000108.7G266 L268 R280 Y288 I290 V305 L359G266-F282 PolarHBondContact N-O 3.04Å; G266-F282 VanDerWaalsContact N-O 3.08Å; G266-F282 PolarHBondContact O-N 3.4Å; L268-F282 HydrophobicContact CB-CD2 4.35Å; L268-F282 HydrophobicContact CB-CE2 3.65Å; L268-F282 HydrophobicContact CB-CZ 4.48Å; L268-F282 HydrophobicContact CD2-CE2 3.93Å; L268-F282 HydrophobicContact CD2-CZ 4.09Å; L268-F282 HydrophobicContact CG-CE2 4.4Å; R280-F282 HydrophobicContact CG-CE1 4.36Å; R280-F282 HydrophobicContact CG-CZ 4.43Å; F282-Y288 HydrophobicContact CB-CG 4.24Å; F282-Y288 AromaticContact CD1-CD1 3.68Å; F282-Y288 HydrophobicContact CD1-CD1 3.68Å; F282-Y288 AromaticContact CD1-CD2 3.88Å; F282-Y288 HydrophobicContact CD1-CD2 3.88Å; F282-Y288 AromaticContact CD1-CE1 3.84Å; F282-Y288 HydrophobicContact CD1-CE1 3.84Å; F282-Y288 HydrophobicContact CD1-CE2 4.02Å; F282-Y288 AromaticContact CD1-CG 3.73Å; F282-Y288 HydrophobicContact CD1-CG 3.73Å; F282-Y288 HydrophobicContact CE1-CD1 4.11Å; F282-Y288 AromaticContact CE1-CE1 3.88Å; F282-Y288 HydrophobicContact CE1-CE1 3.88Å; F282-Y288 HydrophobicContact CG-CG 4.39Å; F282-I290 HydrophobicContact CB-CD1 3.83Å; F282-V305 HydrophobicContact CB-CG1 4.46Å; F282-V305 HydrophobicContact CD1-CG1 4.25Å; F282-V305 HydrophobicContact CD2-CG1 4.37Å; F282-V305 HydrophobicContact CD2-CG2 3.9Å; F282-V305 HydrophobicContact CE2-CG2 4.1Å; F282-V305 HydrophobicContact CG-CG1 4.13Å; F282-V305 HydrophobicContact CG-CG2 4.43Å; F282-L359 HydrophobicContact CD2-CD1 4.15Å; F282-L359 HydrophobicContact CE2-CD1 4.43Å
283S94.4Very high89.9Confident1 Ų166.4 Ų66.41%0.00733%0.33CS..  trans-133.4157.1-177.182.20000111.2E285 D286 Y288S283-E285 VanDerWaalsContact C-N 3.25Å; S283-E285 PolarHBondContact O-N 3.16Å; S283-E285 PolarHBondContact OG-N 2.89Å; S283-D286 PolarHBondContact O-N 2.93Å; S283-D286 VanDerWaalsContact OG-CG 3.22Å; S283-D286 PolarHBondContact OG-N 3.27Å; S283-D286 VanDerWaalsContact OG-N 3.13Å; S283-D286 PolarHBondContact OG-OD2 3.38Å; S283-Y288 CarbonylContact C-O 3.57Å; S283-Y288 WeakPolarHBondContact O-CB 3.46Å; S283-Y288 PolarHBondContact O-N 3.09Å
284Y91.5Very high89.5Confident59 Ų5963.5 Ų63.523%0.23131%0.314CS..THydrogen-bonded Turntrans-61.1-34.7171.1-177.9-96.2000112.7Q158 A162 Y262 D286 G287 Y288 Q289Q158-Y284 HydrophobicContact CB-CD1 4Å; Q158-Y284 HydrophobicContact CB-CD2 3.68Å; Q158-Y284 HydrophobicContact CB-CE1 4.16Å; Q158-Y284 HydrophobicContact CB-CE2 3.83Å; Q158-Y284 HydrophobicContact CB-CG 3.77Å; Q158-Y284 HydrophobicContact CG-CD2 4.38Å; Q158-Y284 VanDerWaalsContact OE1-CD2 3.3Å; A162-Y284 HydrophobicContact CB-CE1 4.49Å; Y262-Y284 HydrophobicContact CD1-CD1 4.3Å; Y284-D286 VanDerWaalsContact C-N 3.28Å; Y284-D286 PolarHBondContact O-N 3.19Å; Y284-G287 PolarHBondContact O-N 3.2Å; Y284-G287 VanDerWaalsContact O-N 3.07Å; Y284-Y288 VanDerWaalsContact CA-O 3.24Å; Y284-Y288 WeakPolarHBondContact CA-O 3.32Å; Y284-Y288 PolarHBondContact N-O 3.01Å; Y284-Q289 HydrophobicContact CD2-CG 4.32Å
285E89Confident89Confident127 Ų12759.8 Ų59.859%0.59330%0.295SS*.THydrogen-bonded Turntrans-60.1-38.9177.5-175.4171.2-168.200112.2Y262 S283 G287Y262-E285 HydrophobicContact CE1-CB 4.5Å; Y262-E285 HydrophobicContact CE2-CB 3.76Å; Y262-E285 WeakPolarHBondContact CE2-OE2 3.46Å; Y262-E285 PolarHBondContact OH-OE2 2.72Å; S283-E285 VanDerWaalsContact C-N 3.25Å; S283-E285 PolarHBondContact O-N 3.16Å; S283-E285 PolarHBondContact OG-N 2.89Å; E285-G287 PolarHBondContact O-N 3.18Å
286D87.8Confident88.4Confident102 Ų10264 Ų6455%0.54532%0.317SS..THydrogen-bonded Turntrans-83.46.2178.5-55.7-52.6000113S283 Y284 Y288S283-D286 PolarHBondContact O-N 2.93Å; S283-D286 VanDerWaalsContact OG-CG 3.22Å; S283-D286 PolarHBondContact OG-N 3.27Å; S283-D286 VanDerWaalsContact OG-N 3.13Å; S283-D286 PolarHBondContact OG-OD2 3.38Å; Y284-D286 VanDerWaalsContact C-N 3.28Å; Y284-D286 PolarHBondContact O-N 3.19Å; D286-Y288 HydrophobicContact CB-CD2 3.67Å; D286-Y288 HydrophobicContact CB-CE2 3.74Å; D286-Y288 WeakPolarHBondContact O-CD2 3.21Å; D286-Y288 WeakPolarHBondContact O-CE2 3.39Å
287G86.6Confident87.6Confident45 Ų4567.5 Ų67.546%0.46434%0.338SS..THydrogen-bonded Turntrans87.215.1177.600000115.6Y284 E285Y284-G287 PolarHBondContact O-N 3.2Å; Y284-G287 VanDerWaalsContact O-N 3.07Å; E285-G287 PolarHBondContact O-N 3.18Å
288Y92.5Very high86.3Confident39 Ų3969.1 Ų69.115%0.15336%0.355CS..EExtended strand (participates in β ladder)trans-102.1146.8178.4-58.1-85.3000112.1R280 F282 S283 Y284 D286 V305 Y306 Y307R280-Y288 PolarHBondContact NH2-OH 2.89Å; F282-Y288 HydrophobicContact CB-CG 4.24Å; F282-Y288 AromaticContact CD1-CD1 3.68Å; F282-Y288 HydrophobicContact CD1-CD1 3.68Å; F282-Y288 AromaticContact CD1-CD2 3.88Å; F282-Y288 HydrophobicContact CD1-CD2 3.88Å; F282-Y288 AromaticContact CD1-CE1 3.84Å; F282-Y288 HydrophobicContact CD1-CE1 3.84Å; F282-Y288 HydrophobicContact CD1-CE2 4.02Å; F282-Y288 AromaticContact CD1-CG 3.73Å; F282-Y288 HydrophobicContact CD1-CG 3.73Å; F282-Y288 HydrophobicContact CE1-CD1 4.11Å; F282-Y288 AromaticContact CE1-CE1 3.88Å; F282-Y288 HydrophobicContact CE1-CE1 3.88Å; F282-Y288 HydrophobicContact CG-CG 4.39Å; S283-Y288 CarbonylContact C-O 3.57Å; S283-Y288 WeakPolarHBondContact O-CB 3.46Å; S283-Y288 PolarHBondContact O-N 3.09Å; Y284-Y288 VanDerWaalsContact CA-O 3.24Å; Y284-Y288 WeakPolarHBondContact CA-O 3.32Å; Y284-Y288 PolarHBondContact N-O 3.01Å; D286-Y288 HydrophobicContact CB-CD2 3.67Å; D286-Y288 HydrophobicContact CB-CE2 3.74Å; D286-Y288 WeakPolarHBondContact O-CD2 3.21Å; D286-Y288 WeakPolarHBondContact O-CE2 3.39Å; Y288-V305 HydrophobicContact CD1-CG1 3.58Å; Y288-V305 HydrophobicContact CG-CG1 4.17Å; Y288-Y306 CarbonylContact C-O 3.59Å; Y288-Y306 WeakPolarHBondContact CA-O 3.33Å; Y288-Y307 AromaticContact CD1-CD1 3.96Å; Y288-Y307 HydrophobicContact CD1-CD1 3.96Å; Y288-Y307 AromaticContact CD1-CG 3.87Å; Y288-Y307 HydrophobicContact CD1-CG 3.87Å; Y288-Y307 AromaticContact CE1-CD1 3.94Å; Y288-Y307 HydrophobicContact CE1-CD1 3.94Å; Y288-Y307 HydrophobicContact CE1-CD2 4.24Å; Y288-Y307 AromaticContact CE1-CG 3.72Å; Y288-Y307 HydrophobicContact CE1-CG 3.72Å
289Q88.8Confident85.4Confident78 Ų7871.4 Ų71.436%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-125131.2172.2-65179-14.100110.1Y284 Y306Y284-Q289 HydrophobicContact CD2-CG 4.32Å; Q289-Y306 HydrophobicContact CB-CD1 4.02Å; Q289-Y306 HydrophobicContact CG-CD1 4.12Å; Q289-Y306 PolarHBondContact N-O 3.01Å; Q289-Y306 PolarHBondContact O-N 3.22Å
290I91Very high84.2Confident7 Ų773.7 Ų73.74%0.03638%0.382CS..EExtended strand (participates in β ladder)trans-96.8121.7-176.1-51.9-58000110.4F282 V305 T361 R363F282-I290 HydrophobicContact CB-CD1 3.83Å; I290-V305 HydrophobicContact CD1-CG1 4.27Å; I290-V305 HydrophobicContact CD1-CG2 3.98Å; I290-T361 HydrophobicContact CG2-CG2 3.49Å; I290-T361 VanDerWaalsContact CG2-CG2 3.49Å; I290-R363 PolarHBondContact O-NH2 2.8Å
291I84.1Confident83.4Confident63 Ų6373.1 Ų73.132%0.32339%0.387SS..EExtended strand (participates in β ladder)trans-124.2104.3-177.7-53.2170.1000108.2C304I291-C304 HydrophobicContact CB-CB 4.18Å; I291-C304 PolarHBondContact N-O 2.73Å; I291-C304 WeakPolarHBondContact O-CA 3.47Å; I291-C304 VanDerWaalsContact O-CB 3.28Å; I291-C304 WeakPolarHBondContact O-CB 3.45Å; I291-C304 PolarHBondContact O-N 3.02Å
292T82.6Confident82.7Confident41 Ų4174.2 Ų74.225%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-100.7115.2174.7-65.10000109.7K294 P300 D303 T361T292-K294 HydrophobicContact CG2-CG 4.11Å; T292-P300 HydrophobicContact CG2-CB 4.01Å; T292-D303 WeakPolarHBondContact CB-OD1 3.33Å; T292-D303 WeakPolarHBondContact CG2-OD1 3.48Å; T292-D303 PolarHBondContact OG1-OD1 3.23Å; T292-T361 PolarHBondContact OG1-OG1 3.22Å; T292-T361 VanDerWaalsContact OG1-OG1 3.13Å
293H80.3Confident82.5Confident102 Ų10273.9 Ų73.947%0.47239%0.391SS..EExtended strand (participates in β ladder)trans-82.3127.5169.3-65.9-77.9000109.3L301 L302H293-L301 PolarHBondContact O-N 3.33Å; H293-L302 HydrophobicContact CB-CB 4.21Å; H293-L302 PolarHBondContact N-O 2.85Å; H293-L302 PolarHBondContact O-N 2.87Å
294K78.5Confident82.2Confident132 Ų13274 Ų7457%0.57439%0.393SS*.EExtended strand (participates in β ladder)trans-111.4151.2177.7-64.7176.9169.7-162.90110.1T292 G298 E299T292-K294 HydrophobicContact CG2-CG 4.11Å; K294-G298 VanDerWaalsContact CD-O 3.32Å; K294-G298 WeakPolarHBondContact CD-O 3.27Å; K294-E299 CarbonylContact C-O 3.47Å; K294-E299 WeakPolarHBondContact CA-O 3.45Å
295D76.1Confident82.2Confident46 Ų4671.3 Ų71.325%0.24638%0.382CS..  trans-72.9178.8168.872.7-1.6000111.4N297 G298 E299 L301D295-N297 PolarHBondContact O-N 2.83Å; D295-N297 VanDerWaalsContact O-N 3.13Å; D295-N297 WeakPolarHBondContact OD1-CA 3.5Å; D295-N297 WeakPolarHBondContact OD1-CB 3.43Å; D295-N297 PolarHBondContact OD1-N 3.06Å; D295-N297 PolarHBondContact OD2-ND2 2.93Å; D295-G298 PolarHBondContact O-N 3.48Å; D295-G298 PolarHBondContact OD1-N 2.84Å; D295-E299 PolarHBondContact N-O 2.92Å; D295-E299 PolarHBondContact OD1-N 2.84Å; D295-L301 HydrophobicContact CB-CD1 3.62Å; D295-L301 HydrophobicContact CB-CD2 4.11Å; D295-L301 HydrophobicContact CB-CG 3.72Å
296D76.1Confident82.3Confident176 Ų17666.5 Ų66.594%0.94136%0.359SS*.THydrogen-bonded Turntrans-63.1-16.2177.9-64-21.8000113.1
297N72.6Confident82.5Confident144 Ų14463.7 Ų63.777%0.7734%0.341SS*.THydrogen-bonded Turntrans-91.1-3.4174.8-54.8-55.8000112.6D295 E299D295-N297 PolarHBondContact O-N 2.83Å; D295-N297 VanDerWaalsContact O-N 3.13Å; D295-N297 WeakPolarHBondContact OD1-CA 3.5Å; D295-N297 WeakPolarHBondContact OD1-CB 3.43Å; D295-N297 PolarHBondContact OD1-N 3.06Å; D295-N297 PolarHBondContact OD2-ND2 2.93Å; N297-E299 VanDerWaalsContact C-N 3.35Å
298G68.8Low82.4Confident37 Ų3768.1 Ų68.138%0.38134%0.343SS..SBendtrans81.87.8-177.200000114.6K294 D295K294-G298 VanDerWaalsContact CD-O 3.32Å; K294-G298 WeakPolarHBondContact CD-O 3.27Å; D295-G298 PolarHBondContact O-N 3.48Å; D295-G298 PolarHBondContact OD1-N 2.84Å
299E73.3Confident81.9Confident123 Ų12368.7 Ų68.758%0.57535%0.351SS*.  trans-78.5137.9174.3-66.6-132.6147.600110.6K294 D295 N297 L301K294-E299 CarbonylContact C-O 3.47Å; K294-E299 WeakPolarHBondContact CA-O 3.45Å; D295-E299 PolarHBondContact N-O 2.92Å; D295-E299 PolarHBondContact OD1-N 2.84Å; N297-E299 VanDerWaalsContact C-N 3.35Å; E299-L301 PolarHBondContact O-N 2.88Å
300P70.1Confident81.4Confident71 Ų7174.7 Ų74.746%0.46138%0.379SS..EExtended strand (participates in β ladder)trans-60120176.1-19.230.9000111.4T292T292-P300 HydrophobicContact CG2-CB 4.01Å
301L76.8Confident80.9Confident106 Ų10680.8 Ų80.856%0.55541%0.411SS*.EExtended strand (participates in β ladder)trans-88.7-46.2171.4-79169.8000111.3H293 D295 E299H293-L301 PolarHBondContact O-N 3.33Å; D295-L301 HydrophobicContact CB-CD1 3.62Å; D295-L301 HydrophobicContact CB-CD2 4.11Å; D295-L301 HydrophobicContact CB-CG 3.72Å; E299-L301 PolarHBondContact O-N 2.88Å
302L81.9Confident80.5Confident48 Ų4883.1 Ų83.125%0.25143%0.425SS..EExtended strand (participates in β ladder)trans-149119.7-172.1-164.674.2000109H293 A318 D320H293-L302 HydrophobicContact CB-CB 4.21Å; H293-L302 PolarHBondContact N-O 2.85Å; H293-L302 PolarHBondContact O-N 2.87Å; L302-A318 HydrophobicContact CD1-CB 4.09Å; L302-A318 HydrophobicContact CD2-CB 3.9Å; L302-A318 HydrophobicContact CG-CB 3.97Å; L302-D320 HydrophobicContact CD1-CB 3.89Å
303D89.2Confident80.5Confident4 Ų483.5 Ų83.52%0.02143%0.427CS..EExtended strand (participates in β ladder)trans-98.1123.1174.7-68.5-59.9000108.9T292 A318 Y319 S357 L359 T361 K498T292-D303 WeakPolarHBondContact CB-OD1 3.33Å; T292-D303 WeakPolarHBondContact CG2-OD1 3.48Å; T292-D303 PolarHBondContact OG1-OD1 3.23Å; D303-A318 CarbonylContact O-C 3.52Å; D303-A318 WeakPolarHBondContact O-CA 3.3Å; D303-Y319 PolarHBondContact N-O 3.08Å; D303-Y319 VanDerWaalsContact N-O 3.08Å; D303-Y319 PolarHBondContact O-N 2.66Å; D303-S357 PolarHBondContact OD2-OG 3.16Å; D303-L359 HydrophobicContact CB-CB 4.12Å; D303-L359 HydrophobicContact CB-CD2 3.73Å; D303-L359 HydrophobicContact CB-CG 4.04Å; D303-T361 HydrophobicContact CB-CG2 4.3Å; D303-T361 PolarHBondContact OD1-OG1 2.92Å; D303-K498 IonicContact OD2-NZ 2.69Å
304C89.1Confident80.8Confident5 Ų581.9 Ų81.93%0.03442%0.417CS..EExtended strand (participates in β ladder)trans-122.5146.3-174.2-53.40000112.4I291 I316 D317 A318I291-C304 HydrophobicContact CB-CB 4.18Å; I291-C304 PolarHBondContact N-O 2.73Å; I291-C304 WeakPolarHBondContact O-CA 3.47Å; I291-C304 VanDerWaalsContact O-CB 3.28Å; I291-C304 WeakPolarHBondContact O-CB 3.45Å; I291-C304 PolarHBondContact O-N 3.02Å; C304-I316 HydrophobicContact CB-CG2 3.87Å; C304-D317 CarbonylContact C-O 3.51Å; C304-D317 WeakPolarHBondContact CA-O 3.5Å; C304-A318 HydrophobicContact CB-CB 4.38Å; C304-A318 WeakPolarHBondContact SG-CB 3.06Å
305V91.9Very high81.4Confident1 Ų176.6 Ų76.61%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-119.1116.1172.1-173.90000108.3F282 Y288 I290 Y307 I316 D317 L359F282-V305 HydrophobicContact CB-CG1 4.46Å; F282-V305 HydrophobicContact CD1-CG1 4.25Å; F282-V305 HydrophobicContact CD2-CG1 4.37Å; F282-V305 HydrophobicContact CD2-CG2 3.9Å; F282-V305 HydrophobicContact CE2-CG2 4.1Å; F282-V305 HydrophobicContact CG-CG1 4.13Å; F282-V305 HydrophobicContact CG-CG2 4.43Å; Y288-V305 HydrophobicContact CD1-CG1 3.58Å; Y288-V305 HydrophobicContact CG-CG1 4.17Å; I290-V305 HydrophobicContact CD1-CG1 4.27Å; I290-V305 HydrophobicContact CD1-CG2 3.98Å; V305-Y307 HydrophobicContact CG1-CD1 4.43Å; V305-I316 WeakPolarHBondContact O-CA 3.35Å; V305-D317 PolarHBondContact N-O 3.01Å; V305-D317 PolarHBondContact O-N 3.34Å; V305-L359 HydrophobicContact CG2-CD1 4.23Å; V305-L359 HydrophobicContact CG2-CD2 3.49Å; V305-L359 VanDerWaalsContact CG2-CD2 3.49Å
306Y90.3Very high82.1Confident27 Ų2775.8 Ų75.811%0.10639%0.389CS..EExtended strand (participates in β ladder)trans-95.3137.8172.9167.6-90.4000110.3Y288 Q289 R308 R314 H315 I316 W344Y288-Y306 CarbonylContact C-O 3.59Å; Y288-Y306 WeakPolarHBondContact CA-O 3.33Å; Q289-Y306 HydrophobicContact CB-CD1 4.02Å; Q289-Y306 HydrophobicContact CG-CD1 4.12Å; Q289-Y306 PolarHBondContact N-O 3.01Å; Q289-Y306 PolarHBondContact O-N 3.22Å; Y306-R308 PolarHBondContact OH-NE 3.26Å; Y306-R308 PolarHBondContact OH-NH2 3.46Å; Y306-R314 HydrophobicContact CE2-CB 3.92Å; Y306-R314 HydrophobicContact CE2-CG 4.28Å; Y306-R314 VanDerWaalsContact OH-CD 3.28Å; Y306-R314 WeakPolarHBondContact OH-CD 3.32Å; Y306-H315 WeakPolarHBondContact CA-O 3.24Å; Y306-I316 HydrophobicContact CD2-CG1 4.01Å; Y306-W344 HydrophobicContact CD2-CH2 4.01Å; Y306-W344 HydrophobicContact CD2-CZ2 4.44Å; Y306-W344 AromaticContact CE2-CH2 3.87Å; Y306-W344 HydrophobicContact CE2-CH2 3.87Å; Y306-W344 HydrophobicContact CE2-CZ2 4.22Å
307Y91.6Very high82.8Confident43 Ų4368.3 Ų68.317%0.16935%0.349CS..EExtended strand (participates in β ladder)trans-155.6172.3173.361.2-81.1000111.7Y288 V305 T309 H315 D317 H326Y288-Y307 AromaticContact CD1-CD1 3.96Å; Y288-Y307 HydrophobicContact CD1-CD1 3.96Å; Y288-Y307 AromaticContact CD1-CG 3.87Å; Y288-Y307 HydrophobicContact CD1-CG 3.87Å; Y288-Y307 AromaticContact CE1-CD1 3.94Å; Y288-Y307 HydrophobicContact CE1-CD1 3.94Å; Y288-Y307 HydrophobicContact CE1-CD2 4.24Å; Y288-Y307 AromaticContact CE1-CG 3.72Å; Y288-Y307 HydrophobicContact CE1-CG 3.72Å; V305-Y307 HydrophobicContact CG1-CD1 4.43Å; Y307-T309 HydrophobicContact CE2-CG2 4.42Å; Y307-H315 HydrophobicContact CD1-CB 4.24Å; Y307-H315 HydrophobicContact CD2-CB 4.29Å; Y307-H315 HydrophobicContact CE1-CB 3.72Å; Y307-H315 HydrophobicContact CE2-CB 3.78Å; Y307-H315 HydrophobicContact CG-CB 4.49Å; Y307-H315 VanDerWaalsContact CZ-CB 3.47Å; Y307-H315 PolarHBondContact N-O 2.92Å; Y307-H315 VanDerWaalsContact N-O 3.11Å; Y307-H315 PolarHBondContact O-N 2.96Å; Y307-D317 WeakPolarHBondContact CE1-OD2 3.32Å; Y307-D317 PolarHBondContact OH-OD2 2.96Å; Y307-H326 PolarHBondContact OH-CE1 3.33Å
308R85.4Confident83.7Confident138 Ų13861.5 Ų61.552%0.52131%0.313SS..EExtended strand (participates in β ladder)trans-123.1138.5173.1-63.9-173-172.3-179.52.8110.8Y306 V313 R314Y306-R308 PolarHBondContact OH-NE 3.26Å; Y306-R308 PolarHBondContact OH-NH2 3.46Å; R308-V313 VanDerWaalsContact CA-O 3.25Å; R308-V313 WeakPolarHBondContact CA-O 3.49Å; R308-R314 HydrophobicContact CG-CG 4.08Å
309T82Confident84.9Confident50 Ų5060.6 Ų60.631%0.30730%0.298SS..  trans-77.2168.5170.353.30000110.9Y307 D311 N312 V313 H315Y307-T309 HydrophobicContact CE2-CG2 4.42Å; T309-D311 PolarHBondContact O-N 2.66Å; T309-D311 VanDerWaalsContact O-N 3.17Å; T309-N312 WeakPolarHBondContact O-CA 3.35Å; T309-N312 PolarHBondContact O-N 3.5Å; T309-V313 PolarHBondContact N-O 2.87Å; T309-V313 PolarHBondContact OG1-N 3.43Å; T309-V313 PolarHBondContact OG1-O 3.03Å; T309-H315 WeakPolarHBondContact CG2-NE2 3.44Å
310E78.4Confident85.7Confident204 Ų20456.4 Ų56.495%0.95328%0.279SS*.THydrogen-bonded Turntrans-55.5-31.5176.3-65.3-176174.700112.3N312E310-N312 PolarHBondContact O-N 3.05Å; E310-N312 VanDerWaalsContact O-N 3.16Å
311D78.9Confident86.5Confident135 Ų13559.7 Ų59.772%0.72229%0.286SS*.THydrogen-bonded Turntrans-72.2-0.7176.1-45.64.9000113T309 V313T309-D311 PolarHBondContact O-N 2.66Å; T309-D311 VanDerWaalsContact O-N 3.17Å; D311-V313 HydrophobicContact CB-CG2 4.11Å; D311-V313 PolarHBondContact O-N 3.27Å
312N77.4Confident87Confident113 Ų11357.8 Ų57.860%0.60428%0.279SS*.  trans65.620-177.9-131.8-6.9000114.1T309 E310T309-N312 WeakPolarHBondContact O-CA 3.35Å; T309-N312 PolarHBondContact O-N 3.5Å; E310-N312 PolarHBondContact O-N 3.05Å; E310-N312 VanDerWaalsContact O-N 3.16Å
313V82.5Confident87.4Confident48 Ų4859.5 Ų59.529%0.29128%0.283SS..  trans-79.3136.9172.7-177.10000108.8R308 T309 D311 H315 T328R308-V313 VanDerWaalsContact CA-O 3.25Å; R308-V313 WeakPolarHBondContact CA-O 3.49Å; T309-V313 PolarHBondContact N-O 2.87Å; T309-V313 PolarHBondContact OG1-N 3.43Å; T309-V313 PolarHBondContact OG1-O 3.03Å; D311-V313 HydrophobicContact CB-CG2 4.11Å; D311-V313 PolarHBondContact O-N 3.27Å; V313-H315 PolarHBondContact O-CD2 2.87Å; V313-T328 HydrophobicContact CG1-CG2 3.61Å
314R86.2Confident87.6Confident69 Ų6960.8 Ų60.826%0.2629%0.289SS..EExtended strand (participates in β ladder)trans-95132.4-176.5-53.4-177.9-75168.61.6109.6Y306 R308 D329 W344Y306-R314 HydrophobicContact CE2-CB 3.92Å; Y306-R314 HydrophobicContact CE2-CG 4.28Å; Y306-R314 VanDerWaalsContact OH-CD 3.28Å; Y306-R314 WeakPolarHBondContact OH-CD 3.32Å; R308-R314 HydrophobicContact CG-CG 4.08Å; R314-D329 HydrophobicContact CB-CB 3.82Å; R314-D329 IonicContact CZ-OD1 3.76Å; R314-D329 IonicContact CZ-OD2 3.89Å; R314-D329 IonicContact NE-OD2 3.47Å; R314-D329 PolarHBondContact NE-OD2 3.28Å; R314-D329 IonicContact NH2-OD1 3.79Å; R314-D329 PolarHBondContact NH2-OD1 2.85Å; R314-D329 IonicContact NH2-OD2 2.83Å; R314-D329 PolarHBondContact NH2-OD2 3.25Å; R314-D329 PolarHBondContact O-N 3.06Å; R314-W344 HydrophobicContact CB-CH2 3.59Å; R314-W344 HydrophobicContact CB-CZ2 4.38Å; R314-W344 HydrophobicContact CB-CZ3 4.13Å; R314-W344 WeakPolarHBondContact O-CZ3 3.33Å
315H90.2Very high87.7Confident20 Ų2062.3 Ų62.39%0.09329%0.294CS..EExtended strand (participates in β ladder)trans-123.4151178.1-63-93.6000110.8Y306 Y307 T309 V313 H326 F327 T328Y306-H315 WeakPolarHBondContact CA-O 3.24Å; Y307-H315 HydrophobicContact CD1-CB 4.24Å; Y307-H315 HydrophobicContact CD2-CB 4.29Å; Y307-H315 HydrophobicContact CE1-CB 3.72Å; Y307-H315 HydrophobicContact CE2-CB 3.78Å; Y307-H315 HydrophobicContact CG-CB 4.49Å; Y307-H315 VanDerWaalsContact CZ-CB 3.47Å; Y307-H315 PolarHBondContact N-O 2.92Å; Y307-H315 VanDerWaalsContact N-O 3.11Å; Y307-H315 PolarHBondContact O-N 2.96Å; T309-H315 WeakPolarHBondContact CG2-NE2 3.44Å; V313-H315 PolarHBondContact O-CD2 2.87Å; H315-H326 AromaticContact CE1-NE2 3.84Å; H315-H326 AromaticContact ND1-CE1 3.42Å; H315-H326 PolarHBondContact ND1-CE1 3.24Å; H315-H326 AromaticContact ND1-NE2 3.09Å; H315-H326 PolarHBondContact ND1-NE2 2.88Å; H315-F327 CarbonylContact C-O 3.59Å; H315-F327 VanDerWaalsContact CA-O 3.23Å; H315-F327 WeakPolarHBondContact CA-O 3.27Å; H315-T328 PolarHBondContact CE1-OG1 3.4Å; H315-T328 PolarHBondContact ND1-OG1 2.49Å; H315-T328 VanDerWaalsContact ND1-OG1 3.14Å
316I90.8Very high87.7Confident30 Ų3063.7 Ų63.715%0.15430%0.3CS..EExtended strand (participates in β ladder)trans-131.6118.7167.4-62.4167.4000108.3C304 V305 Y306 F327 W344C304-I316 HydrophobicContact CB-CG2 3.87Å; V305-I316 WeakPolarHBondContact O-CA 3.35Å; Y306-I316 HydrophobicContact CD2-CG1 4.01Å; I316-F327 HydrophobicContact CB-CB 4.19Å; I316-F327 PolarHBondContact N-O 3.08Å; I316-F327 PolarHBondContact O-N 3.05Å; I316-W344 HydrophobicContact CB-CZ3 4.36Å; I316-W344 HydrophobicContact CD1-CD2 3.97Å; I316-W344 HydrophobicContact CD1-CE3 3.97Å; I316-W344 HydrophobicContact CD1-CH2 3.54Å; I316-W344 HydrophobicContact CD1-CZ2 3.56Å; I316-W344 HydrophobicContact CD1-CZ3 3.77Å; I316-W344 HydrophobicContact CG1-CE3 4.27Å; I316-W344 HydrophobicContact CG1-CH2 3.56Å; I316-W344 HydrophobicContact CG1-CZ2 4.11Å; I316-W344 HydrophobicContact CG1-CZ3 3.67Å
317D92.4Very high87.6Confident19 Ų1965.1 Ų65.110%0.10231%0.308CS..EExtended strand (participates in β ladder)trans-95120165.6-75.6-48.7000109.3C304 V305 Y307 Y319 H324 Y325 H326C304-D317 CarbonylContact C-O 3.51Å; C304-D317 WeakPolarHBondContact CA-O 3.5Å; V305-D317 PolarHBondContact N-O 3.01Å; V305-D317 PolarHBondContact O-N 3.34Å; Y307-D317 WeakPolarHBondContact CE1-OD2 3.32Å; Y307-D317 PolarHBondContact OH-OD2 2.96Å; D317-Y319 HydrophobicContact CB-CE2 3.96Å; D317-H324 IonicContact OD1-CD2 2.71Å; D317-H324 IonicContact OD1-CE1 2.66Å; D317-H324 IonicContact OD1-NE2 3.89Å; D317-H324 PolarHBondContact OD1-NE2 3.04Å; D317-Y325 WeakPolarHBondContact CA-O 3.45Å; D317-H326 IonicContact OD1-CE1 3.01Å; D317-H326 IonicContact OD1-CG 3.54Å; D317-H326 IonicContact OD1-ND1 3.73Å; D317-H326 PolarHBondContact OD1-ND1 2.91Å; D317-H326 IonicContact OD2-ND1 2.77Å
318A91.6Very high87.4Confident0 Ų063.6 Ų63.60%030%0.302CS..EExtended strand (participates in β ladder)trans-118.9137.4-178.100000111.6L302 D303 C304 H324 Y325 F327L302-A318 HydrophobicContact CD1-CB 4.09Å; L302-A318 HydrophobicContact CD2-CB 3.9Å; L302-A318 HydrophobicContact CG-CB 3.97Å; D303-A318 CarbonylContact O-C 3.52Å; D303-A318 WeakPolarHBondContact O-CA 3.3Å; C304-A318 HydrophobicContact CB-CB 4.38Å; C304-A318 WeakPolarHBondContact SG-CB 3.06Å; A318-H324 CarbonylContact O-C 3.6Å; A318-H324 WeakPolarHBondContact O-CA 3.47Å; A318-Y325 HydrophobicContact CB-CD2 4.5Å; A318-Y325 PolarHBondContact N-O 3.23Å; A318-Y325 PolarHBondContact O-N 3.34Å; A318-F327 HydrophobicContact CB-CE2 4.28Å
319Y92.7Very high87.2Confident19 Ų1957.9 Ų57.98%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-124.3120.4-176.3-60.3-90.1000110.4L268 D303 D317 H324 P358 L359L268-Y319 HydrophobicContact CD1-CE1 4.04Å; L268-Y319 HydrophobicContact CD1-CE2 4.32Å; D303-Y319 PolarHBondContact N-O 3.08Å; D303-Y319 VanDerWaalsContact N-O 3.08Å; D303-Y319 PolarHBondContact O-N 2.66Å; D317-Y319 HydrophobicContact CB-CE2 3.96Å; Y319-H324 HydrophobicContact CD1-CB 3.85Å; Y319-H324 HydrophobicContact CE1-CB 3.7Å; Y319-H324 AromaticContact CE1-CD2 3.44Å; Y319-H324 VanDerWaalsContact CE1-CD2 3.44Å; Y319-H324 WeakPolarHBondContact CE1-CD2 3.11Å; Y319-H324 AromaticContact CE1-CG 3.64Å; Y319-H324 AromaticContact CZ-CD2 3.48Å; Y319-H324 VanDerWaalsContact CZ-CD2 3.48Å; Y319-P358 HydrophobicContact CD1-CG 3.62Å; Y319-P358 HydrophobicContact CE1-CG 4.14Å; Y319-P358 HydrophobicContact CG-CG 4.3Å; Y319-L359 HydrophobicContact CD2-CB 3.96Å; Y319-L359 HydrophobicContact CD2-CD2 3.79Å; Y319-L359 HydrophobicContact CE2-CD2 4.23Å; Y319-L359 HydrophobicContact CG-CB 4.27Å
320D89.8Confident86.9Confident34 Ų3458.2 Ų58.218%0.18228%0.284CS..  trans-98.7-162.116672.930.7000110.2L302 T322 Y323 Y325 H352 S357L302-D320 HydrophobicContact CD1-CB 3.89Å; D320-T322 PolarHBondContact O-N 2.78Å; D320-T322 WeakPolarHBondContact OD1-CA 3.29Å; D320-T322 PolarHBondContact OD1-N 3.38Å; D320-Y323 PolarHBondContact N-O 3.35Å; D320-Y323 PolarHBondContact OD1-N 3.13Å; D320-Y325 HydrophobicContact CB-CE2 4.39Å; D320-Y325 WeakPolarHBondContact OD2-CE2 3.1Å; D320-Y325 PolarHBondContact OD2-OH 3.44Å; D320-H352 PolarHBondContact O-NE2 2.85Å; D320-S357 VanDerWaalsContact O-CA 3.27Å; D320-S357 WeakPolarHBondContact O-CA 3.35Å; D320-S357 WeakPolarHBondContact O-CB 3.43Å
321K87.6Confident86.3Confident140 Ų14055.3 Ų55.361%0.60927%0.269SS*.SBendtrans-72.7-9.5179.1-65.3-179.5179.8175.90114.1
322T87Confident85.4Confident67 Ų6752 Ų5241%0.41125%0.253SS..SBendtrans-139.7-38.1-169.9-56.80000113.7D320 V351 H352D320-T322 PolarHBondContact O-N 2.78Å; D320-T322 WeakPolarHBondContact OD1-CA 3.29Å; D320-T322 PolarHBondContact OD1-N 3.38Å; T322-V351 WeakPolarHBondContact O-CA 3.32Å; T322-H352 VanDerWaalsContact CA-NE2 3.34Å; T322-H352 WeakPolarHBondContact CA-NE2 3.38Å; T322-H352 PolarHBondContact N-NE2 2.98Å; T322-H352 VanDerWaalsContact N-NE2 3.17Å; T322-H352 PolarHBondContact O-CD2 3.45Å; T322-H352 VanDerWaalsContact O-CD2 3.28Å; T322-H352 PolarHBondContact O-N 2.8Å; T322-H352 PolarHBondContact O-NE2 3.47Å
323Y90.7Very high84.6Confident83 Ų8352.1 Ų52.133%0.32525%0.25SS..EExtended strand (participates in β ladder)trans-119.8143.9-171.4-61.9-74.4000112.5D320 K349 E350 V351 H352D320-Y323 PolarHBondContact N-O 3.35Å; D320-Y323 PolarHBondContact OD1-N 3.13Å; Y323-K349 HydrophobicContact CD1-CD 4.35Å; Y323-K349 HydrophobicContact CD1-CG 4.02Å; Y323-K349 VanDerWaalsContact CD2-CE 3.45Å; Y323-K349 HydrophobicContact CG-CD 4.46Å; Y323-K349 HydrophobicContact CG-CG 4.28Å; Y323-E350 CarbonylContact C-O 3.5Å; Y323-E350 WeakPolarHBondContact CA-O 3.45Å; Y323-V351 HydrophobicContact CD1-CG2 3.77Å; Y323-V351 HydrophobicContact CE1-CG2 3.46Å; Y323-V351 VanDerWaalsContact CE1-CG2 3.46Å; Y323-H352 PolarHBondContact N-CD2 3.2Å; Y323-H352 PolarHBondContact N-NE2 2.82Å
324H92.6Very high83.3Confident31 Ų3152.4 Ų52.414%0.14425%0.25CC..EExtended strand (participates in β ladder)trans-98.2134.9161.7163.7-125.5000108.4D317 A318 Y319 K349 E350 H352D317-H324 IonicContact OD1-CD2 2.71Å; D317-H324 IonicContact OD1-CE1 2.66Å; D317-H324 IonicContact OD1-NE2 3.89Å; D317-H324 PolarHBondContact OD1-NE2 3.04Å; A318-H324 CarbonylContact O-C 3.6Å; A318-H324 WeakPolarHBondContact O-CA 3.47Å; Y319-H324 HydrophobicContact CD1-CB 3.85Å; Y319-H324 HydrophobicContact CE1-CB 3.7Å; Y319-H324 AromaticContact CE1-CD2 3.44Å; Y319-H324 VanDerWaalsContact CE1-CD2 3.44Å; Y319-H324 WeakPolarHBondContact CE1-CD2 3.11Å; Y319-H324 AromaticContact CE1-CG 3.64Å; Y319-H324 AromaticContact CZ-CD2 3.48Å; Y319-H324 VanDerWaalsContact CZ-CD2 3.48Å; H324-K349 WeakPolarHBondContact O-CA 3.35Å; H324-E350 PolarHBondContact N-O 3.22Å; H324-E350 PolarHBondContact O-N 3.4Å; H324-H352 HydrophobicContact CB-CB 4.5Å
325Y90.8Very high82.1Confident38 Ų3855.6 Ų55.615%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-120.8125.3178.1-54.7-94.4000108.8D317 A318 D320 F327 L346 S348 K349D317-Y325 WeakPolarHBondContact CA-O 3.45Å; A318-Y325 HydrophobicContact CB-CD2 4.5Å; A318-Y325 PolarHBondContact N-O 3.23Å; A318-Y325 PolarHBondContact O-N 3.34Å; D320-Y325 HydrophobicContact CB-CE2 4.39Å; D320-Y325 WeakPolarHBondContact OD2-CE2 3.1Å; D320-Y325 PolarHBondContact OD2-OH 3.44Å; Y325-F327 HydrophobicContact CG-CE2 4.37Å; Y325-L346 HydrophobicContact CD1-CD1 3.93Å; Y325-L346 HydrophobicContact CD1-CD2 4.34Å; Y325-L346 HydrophobicContact CG-CD1 4.34Å; Y325-S348 WeakPolarHBondContact CA-O 3.27Å; Y325-K349 HydrophobicContact CD1-CB 4.16Å; Y325-K349 HydrophobicContact CD1-CD 4.16Å; Y325-K349 HydrophobicContact CD1-CG 3.87Å; Y325-K349 HydrophobicContact CE1-CB 4.43Å; Y325-K349 HydrophobicContact CE1-CD 3.57Å; Y325-K349 HydrophobicContact CE1-CG 3.68Å
326H91.9Very high80.9Confident29 Ų2962.1 Ų62.113%0.13431%0.313CS..EExtended strand (participates in β ladder)trans-102.3116.2173.9-169.767.2000109.7Y307 H315 D317 T328 E347 S348Y307-H326 PolarHBondContact OH-CE1 3.33Å; H315-H326 AromaticContact CE1-NE2 3.84Å; H315-H326 AromaticContact ND1-CE1 3.42Å; H315-H326 PolarHBondContact ND1-CE1 3.24Å; H315-H326 AromaticContact ND1-NE2 3.09Å; H315-H326 PolarHBondContact ND1-NE2 2.88Å; D317-H326 IonicContact OD1-CE1 3.01Å; D317-H326 IonicContact OD1-CG 3.54Å; D317-H326 IonicContact OD1-ND1 3.73Å; D317-H326 PolarHBondContact OD1-ND1 2.91Å; D317-H326 IonicContact OD2-ND1 2.77Å; H326-T328 PolarHBondContact NE2-OG1 3.35Å; H326-E347 IonicContact CD2-OE2 2.65Å; H326-E347 PolarHBondContact CD2-OE2 3.06Å; H326-E347 IonicContact NE2-OE2 2.8Å; H326-E347 PolarHBondContact O-N 2.81Å; H326-S348 VanDerWaalsContact CB-OG 3.31Å; H326-S348 WeakPolarHBondContact CB-OG 3.41Å; H326-S348 PolarHBondContact N-O 3.08Å; H326-S348 PolarHBondContact O-N 3.42Å
327F88.7Confident79.8Confident58 Ų5864.8 Ų64.825%0.25433%0.33SS..EExtended strand (participates in β ladder)trans-108.9136.8175.8-63-93000111.1H315 I316 A318 Y325 W344 C345 L346H315-F327 CarbonylContact C-O 3.59Å; H315-F327 VanDerWaalsContact CA-O 3.23Å; H315-F327 WeakPolarHBondContact CA-O 3.27Å; I316-F327 HydrophobicContact CB-CB 4.19Å; I316-F327 PolarHBondContact N-O 3.08Å; I316-F327 PolarHBondContact O-N 3.05Å; A318-F327 HydrophobicContact CB-CE2 4.28Å; Y325-F327 HydrophobicContact CG-CE2 4.37Å; F327-W344 HydrophobicContact CB-CE3 4.07Å; F327-C345 CarbonylContact C-O 3.54Å; F327-C345 VanDerWaalsContact CA-O 3.23Å; F327-C345 WeakPolarHBondContact CA-O 3.36Å; F327-L346 HydrophobicContact CD1-CB 3.98Å; F327-L346 HydrophobicContact CD1-CD1 4.17Å; F327-L346 HydrophobicContact CD2-CD1 4.42Å; F327-L346 HydrophobicContact CE1-CB 3.75Å; F327-L346 HydrophobicContact CE1-CD1 3.83Å; F327-L346 HydrophobicContact CE1-CG 4.34Å; F327-L346 HydrophobicContact CE2-CD1 4.11Å; F327-L346 HydrophobicContact CG-CD1 4.45Å; F327-L346 HydrophobicContact CZ-CD1 3.8Å
328T87.2Confident78.2Confident10 Ų1069.2 Ų69.26%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-123.3131.3177.1-57.70000109.1V313 H315 H326 V330 C345 E347V313-T328 HydrophobicContact CG1-CG2 3.61Å; H315-T328 PolarHBondContact CE1-OG1 3.4Å; H315-T328 PolarHBondContact ND1-OG1 2.49Å; H315-T328 VanDerWaalsContact ND1-OG1 3.14Å; H326-T328 PolarHBondContact NE2-OG1 3.35Å; T328-V330 HydrophobicContact CG2-CG1 3.94Å; T328-V330 PolarHBondContact O-N 3Å; T328-C345 PolarHBondContact N-O 2.96Å; T328-C345 PolarHBondContact O-N 3.29Å; T328-E347 PolarHBondContact OG1-OE2 3.45Å
329D81.9Confident76.3Confident19 Ų1975 Ų7510%0.10238%0.381CS..EExtended strand (participates in β ladder)trans-73.8107.4174.4175.452.2000109.9R314 W344R314-D329 HydrophobicContact CB-CB 3.82Å; R314-D329 IonicContact CZ-OD1 3.76Å; R314-D329 IonicContact CZ-OD2 3.89Å; R314-D329 IonicContact NE-OD2 3.47Å; R314-D329 PolarHBondContact NE-OD2 3.28Å; R314-D329 IonicContact NH2-OD1 3.79Å; R314-D329 PolarHBondContact NH2-OD1 2.85Å; R314-D329 IonicContact NH2-OD2 2.83Å; R314-D329 PolarHBondContact NH2-OD2 3.25Å; R314-D329 PolarHBondContact O-N 3.06Å; D329-W344 HydrophobicContact CB-CD2 4.37Å; D329-W344 HydrophobicContact CB-CE3 3.99Å; D329-W344 HydrophobicContact CB-CH2 4.22Å; D329-W344 HydrophobicContact CB-CZ3 3.92Å
330V75.1Confident74.6Confident57 Ų5778.6 Ų78.635%0.34541%0.405SS..EExtended strand (participates in β ladder)trans-128.2160.1-178.7-66.30000110.5T328 V332 G343 C345T328-V330 HydrophobicContact CG2-CG1 3.94Å; T328-V330 PolarHBondContact O-N 3Å; V330-V332 HydrophobicContact CG2-CG2 3.78Å; V330-V332 PolarHBondContact O-N 2.76Å; V330-G343 PolarHBondContact N-O 2.7Å; V330-G343 PolarHBondContact O-N 3.15Å; V330-G343 VanDerWaalsContact O-N 3.09Å; V330-C345 HydrophobicContact CG2-CB 3.39Å
331F67.2Low72.9Confident143 Ų14380.9 Ų80.963%0.62742%0.417SS*.EExtended strand (participates in β ladder)trans-78.6106.4169.1-71.5-76.3000108.5V340 K342F331-V340 HydrophobicContact CB-CG1 3.65Å; F331-V340 HydrophobicContact CD1-CG1 3.85Å; F331-V340 HydrophobicContact CG-CG1 4.12Å; F331-K342 HydrophobicContact CD1-CB 4.22Å; F331-K342 HydrophobicContact CD1-CG 4.07Å; F331-K342 HydrophobicContact CE1-CB 4.12Å; F331-K342 HydrophobicContact CE1-CD 3.92Å; F331-K342 HydrophobicContact CE1-CG 3.8Å; F331-K342 HydrophobicContact CZ-CD 4.12Å; F331-K342 HydrophobicContact CZ-CG 4.29Å
332V59.7Low71.5Confident66 Ų6680.4 Ų80.440%0.441%0.414SS..EExtended strand (participates in β ladder)trans-96.9127177-170.40000108.1V330 D334 L341V330-V332 HydrophobicContact CG2-CG2 3.78Å; V330-V332 PolarHBondContact O-N 2.76Å; V332-D334 PolarHBondContact O-N 2.77Å; V332-L341 PolarHBondContact N-O 3.29Å; V332-L341 PolarHBondContact O-N 3.1Å; V332-L341 VanDerWaalsContact O-O 3.08Å
333Q59.9Low70.6Confident114 Ų11478.3 Ų78.353%0.53341%0.406SS..EExtended strand (participates in β ladder)trans-79.1113.4169.9-169.8170.713.300108.2V335 N338Q333-V335 PolarHBondContact O-N 2.93Å; Q333-N338 PolarHBondContact NE2-OD1 3.18Å
334D55Low69.9Low54 Ų5479.3 Ų79.329%0.28941%0.409SS..  trans-61.8122.1175.1180-74.1000109.1V332 D336 T337 N338 E339 L341V332-D334 PolarHBondContact O-N 2.77Å; D334-D336 PolarHBondContact O-N 2.9Å; D334-D336 PolarHBondContact OD1-N 2.79Å; D334-T337 VanDerWaalsContact CB-OG1 3.28Å; D334-T337 WeakPolarHBondContact CB-OG1 3.38Å; D334-T337 PolarHBondContact OD1-N 2.84Å; D334-T337 PolarHBondContact OD1-OG1 3.33Å; D334-N338 WeakPolarHBondContact O-CA 3.29Å; D334-N338 PolarHBondContact O-N 2.8Å; D334-E339 PolarHBondContact N-O 2.89Å; D334-L341 HydrophobicContact CB-CD1 4.14Å
335V60.4Low69.2Low137 Ų13780.4 Ų80.483%0.8342%0.42SS*.THydrogen-bonded Turntrans-67.9-22.8-172.2-1100000113.1Q333Q333-V335 PolarHBondContact O-N 2.93Å
336D65Low68.9Low157 Ų15782.3 Ų82.384%0.8443%0.432SS*.THydrogen-bonded Turntrans-94.4-35.4-175.3-69.1-33.4000112.1D334D334-D336 PolarHBondContact O-N 2.9Å; D334-D336 PolarHBondContact OD1-N 2.79Å
337T68.7Low68.5Low85 Ų8586.9 Ų86.952%0.52145%0.454SS..THydrogen-bonded Turntrans-104.5-13.8-177.259.80000113.7D334 E339D334-T337 VanDerWaalsContact CB-OG1 3.28Å; D334-T337 WeakPolarHBondContact CB-OG1 3.38Å; D334-T337 PolarHBondContact OD1-N 2.84Å; D334-T337 PolarHBondContact OD1-OG1 3.33Å; T337-E339 PolarHBondContact O-N 2.82Å; T337-E339 VanDerWaalsContact O-N 3.11Å; T337-E339 PolarHBondContact OG1-N 3.05Å
338N58.1Low68.4Low113 Ų11385.7 Ų85.760%0.60445%0.453SS*.  trans57.510.8-169.9-101.6-14.1000114.2Q333 D334Q333-N338 PolarHBondContact NE2-OD1 3.18Å; D334-N338 WeakPolarHBondContact O-CA 3.29Å; D334-N338 PolarHBondContact O-N 2.8Å
339E52.7Low68.7Low122 Ų12290.2 Ų90.257%0.5747%0.471SS*.  trans-72.6135.9172.2-92.7-172.9152.800110.4D334 T337 L341D334-E339 PolarHBondContact N-O 2.89Å; T337-E339 PolarHBondContact O-N 2.82Å; T337-E339 VanDerWaalsContact O-N 3.11Å; T337-E339 PolarHBondContact OG1-N 3.05Å; E339-L341 HydrophobicContact CB-CG 4.25Å; E339-L341 PolarHBondContact O-N 3.48Å; E339-L341 VanDerWaalsContact O-N 3.16Å
340V57.3Low69Low93 Ų9394.8 Ų94.856%0.56449%0.492SS*.EExtended strand (participates in β ladder)trans-81.993.6171.6-178.30000107.3F331F331-V340 HydrophobicContact CB-CG1 3.65Å; F331-V340 HydrophobicContact CD1-CG1 3.85Å; F331-V340 HydrophobicContact CG-CG1 4.12Å
341L52.4Low69.7Low83 Ų8396.7 Ų96.744%0.43550%0.504SS..EExtended strand (participates in β ladder)trans-90133177.8-67.6173.1000109.4V332 D334 E339 G343V332-L341 PolarHBondContact N-O 3.29Å; V332-L341 PolarHBondContact O-N 3.1Å; V332-L341 VanDerWaalsContact O-O 3.08Å; D334-L341 HydrophobicContact CB-CD1 4.14Å; E339-L341 HydrophobicContact CB-CG 4.25Å; E339-L341 PolarHBondContact O-N 3.48Å; E339-L341 VanDerWaalsContact O-N 3.16Å; L341-G343 PolarHBondContact O-N 2.85Å
342K58.5Low70.8Confident130 Ų13091.5 Ų91.557%0.56548%0.481SS*.EExtended strand (participates in β ladder)trans-77.1114.9173.3-153.6177.2-173.2-176.80107.6F331F331-K342 HydrophobicContact CD1-CB 4.22Å; F331-K342 HydrophobicContact CD1-CG 4.07Å; F331-K342 HydrophobicContact CE1-CB 4.12Å; F331-K342 HydrophobicContact CE1-CD 3.92Å; F331-K342 HydrophobicContact CE1-CG 3.8Å; F331-K342 HydrophobicContact CZ-CD 4.12Å; F331-K342 HydrophobicContact CZ-CG 4.29Å
343G68Low72Confident23 Ų2390.2 Ų90.224%0.23748%0.481CS..EExtended strand (participates in β ladder)trans-150.5160.1-17100000113.2V330 L341V330-G343 PolarHBondContact N-O 2.7Å; V330-G343 PolarHBondContact O-N 3.15Å; V330-G343 VanDerWaalsContact O-N 3.09Å; L341-G343 PolarHBondContact O-N 2.85Å
344W77.6Confident73.6Confident103 Ų10385.3 Ų85.339%0.3946%0.459SS..EExtended strand (participates in β ladder)trans-79122.3174.2-66.5102.4000109.8Y306 R314 I316 F327 D329Y306-W344 HydrophobicContact CD2-CH2 4.01Å; Y306-W344 HydrophobicContact CD2-CZ2 4.44Å; Y306-W344 AromaticContact CE2-CH2 3.87Å; Y306-W344 HydrophobicContact CE2-CH2 3.87Å; Y306-W344 HydrophobicContact CE2-CZ2 4.22Å; R314-W344 HydrophobicContact CB-CH2 3.59Å; R314-W344 HydrophobicContact CB-CZ2 4.38Å; R314-W344 HydrophobicContact CB-CZ3 4.13Å; R314-W344 WeakPolarHBondContact O-CZ3 3.33Å; I316-W344 HydrophobicContact CB-CZ3 4.36Å; I316-W344 HydrophobicContact CD1-CD2 3.97Å; I316-W344 HydrophobicContact CD1-CE3 3.97Å; I316-W344 HydrophobicContact CD1-CH2 3.54Å; I316-W344 HydrophobicContact CD1-CZ2 3.56Å; I316-W344 HydrophobicContact CD1-CZ3 3.77Å; I316-W344 HydrophobicContact CG1-CE3 4.27Å; I316-W344 HydrophobicContact CG1-CH2 3.56Å; I316-W344 HydrophobicContact CG1-CZ2 4.11Å; I316-W344 HydrophobicContact CG1-CZ3 3.67Å; F327-W344 HydrophobicContact CB-CE3 4.07Å; D329-W344 HydrophobicContact CB-CD2 4.37Å; D329-W344 HydrophobicContact CB-CE3 3.99Å; D329-W344 HydrophobicContact CB-CH2 4.22Å; D329-W344 HydrophobicContact CB-CZ3 3.92Å
345C77.9Confident75.2Confident55 Ų5587 Ų8737%0.37247%0.474SS..EExtended strand (participates in β ladder)trans-102.5134.9172.2-176.70000109.5F327 T328 V330 E347F327-C345 CarbonylContact C-O 3.54Å; F327-C345 VanDerWaalsContact CA-O 3.23Å; F327-C345 WeakPolarHBondContact CA-O 3.36Å; T328-C345 PolarHBondContact N-O 2.96Å; T328-C345 PolarHBondContact O-N 3.29Å; V330-C345 HydrophobicContact CG2-CB 3.39Å; C345-E347 PolarHBondContact O-N 3.48Å
346L83.4Confident76.6Confident78 Ų7882.4 Ų82.441%0.40844%0.444SS..EExtended strand (participates in β ladder)trans-77.3108.3169.5177.866000108.7Y325 F327 S348Y325-L346 HydrophobicContact CD1-CD1 3.93Å; Y325-L346 HydrophobicContact CD1-CD2 4.34Å; Y325-L346 HydrophobicContact CG-CD1 4.34Å; F327-L346 HydrophobicContact CD1-CB 3.98Å; F327-L346 HydrophobicContact CD1-CD1 4.17Å; F327-L346 HydrophobicContact CD2-CD1 4.42Å; F327-L346 HydrophobicContact CE1-CB 3.75Å; F327-L346 HydrophobicContact CE1-CD1 3.83Å; F327-L346 HydrophobicContact CE1-CG 4.34Å; F327-L346 HydrophobicContact CE2-CD1 4.11Å; F327-L346 HydrophobicContact CG-CD1 4.45Å; F327-L346 HydrophobicContact CZ-CD1 3.8Å; L346-S348 VanDerWaalsContact CD1-O 3.25Å; L346-S348 WeakPolarHBondContact CD1-O 3.27Å
347E83.8Confident77.8Confident125 Ų12575.4 Ų75.458%0.58441%0.407SS*.EExtended strand (participates in β ladder)trans-83.9-43.7-177.5-175.9170.3176.800111.9H326 T328 C345H326-E347 IonicContact CD2-OE2 2.65Å; H326-E347 PolarHBondContact CD2-OE2 3.06Å; H326-E347 IonicContact NE2-OE2 2.8Å; H326-E347 PolarHBondContact O-N 2.81Å; T328-E347 PolarHBondContact OG1-OE2 3.45Å; C345-E347 PolarHBondContact O-N 3.48Å
348S86.7Confident79Confident33 Ų3371.5 Ų71.523%0.23138%0.383CS..EExtended strand (participates in β ladder)trans-142.7152.3176.7710000112.6Y325 H326 L346Y325-S348 WeakPolarHBondContact CA-O 3.27Å; H326-S348 VanDerWaalsContact CB-OG 3.31Å; H326-S348 WeakPolarHBondContact CB-OG 3.41Å; H326-S348 PolarHBondContact N-O 3.08Å; H326-S348 PolarHBondContact O-N 3.42Å; L346-S348 VanDerWaalsContact CD1-O 3.25Å; L346-S348 WeakPolarHBondContact CD1-O 3.27Å
349K92.9Very high80.7Confident104 Ų10466.1 Ų66.145%0.45235%0.354SS..EExtended strand (participates in β ladder)trans-135.3113.8172.9175.7-176.5-179.6165.70108.4Y323 H324 Y325Y323-K349 HydrophobicContact CD1-CD 4.35Å; Y323-K349 HydrophobicContact CD1-CG 4.02Å; Y323-K349 VanDerWaalsContact CD2-CE 3.45Å; Y323-K349 HydrophobicContact CG-CD 4.46Å; Y323-K349 HydrophobicContact CG-CG 4.28Å; H324-K349 WeakPolarHBondContact O-CA 3.35Å; Y325-K349 HydrophobicContact CD1-CB 4.16Å; Y325-K349 HydrophobicContact CD1-CD 4.16Å; Y325-K349 HydrophobicContact CD1-CG 3.87Å; Y325-K349 HydrophobicContact CE1-CB 4.43Å; Y325-K349 HydrophobicContact CE1-CD 3.57Å; Y325-K349 HydrophobicContact CE1-CG 3.68Å
350E88.9Confident82.6Confident115 Ų11560.4 Ų60.454%0.53733%0.328SS..EExtended strand (participates in β ladder)trans-132.5152.5-171.1-61.6-177.1-179.300111.4Y323 H324 H352Y323-E350 CarbonylContact C-O 3.5Å; Y323-E350 WeakPolarHBondContact CA-O 3.45Å; H324-E350 PolarHBondContact N-O 3.22Å; H324-E350 PolarHBondContact O-N 3.4Å; E350-H352 PolarHBondContact O-N 3.24Å
351V89.2Confident84.3Confident97 Ų9757.8 Ų57.859%0.58831%0.312SS*.EExtended strand (participates in β ladder)trans-85113.2176.9176.80000108.3T322 Y323 G353T322-V351 WeakPolarHBondContact O-CA 3.32Å; Y323-V351 HydrophobicContact CD1-CG2 3.77Å; Y323-V351 HydrophobicContact CE1-CG2 3.46Å; Y323-V351 VanDerWaalsContact CE1-CG2 3.46Å; V351-G353 PolarHBondContact O-N 3.07Å
352H90.7Very high86.2Confident34 Ų3455.6 Ų55.616%0.15730%0.299CS..  trans-72.8-17.3178.760.675.5000112.7D320 T322 Y323 H324 E350 F354 E356 P358D320-H352 PolarHBondContact O-NE2 2.85Å; T322-H352 VanDerWaalsContact CA-NE2 3.34Å; T322-H352 WeakPolarHBondContact CA-NE2 3.38Å; T322-H352 PolarHBondContact N-NE2 2.98Å; T322-H352 VanDerWaalsContact N-NE2 3.17Å; T322-H352 PolarHBondContact O-CD2 3.45Å; T322-H352 VanDerWaalsContact O-CD2 3.28Å; T322-H352 PolarHBondContact O-N 2.8Å; T322-H352 PolarHBondContact O-NE2 3.47Å; Y323-H352 PolarHBondContact N-CD2 3.2Å; Y323-H352 PolarHBondContact N-NE2 2.82Å; H324-H352 HydrophobicContact CB-CB 4.5Å; E350-H352 PolarHBondContact O-N 3.24Å; H352-F354 PolarHBondContact CE1-O 3.09Å; H352-F354 VanDerWaalsContact CE1-O 3.31Å; H352-F354 AromaticContact ND1-CD2 3.97Å; H352-F354 PolarHBondContact ND1-N 3.21Å; H352-F354 WeakPolarHBondContact O-CD2 3.41Å; H352-F354 PolarHBondContact O-N 3.38Å; H352-E356 PolarHBondContact CE1-O 3.49Å; H352-P358 HydrophobicContact CB-CG 4.17Å
353G85.2Confident87.7Confident39 Ų3957.2 Ų57.240%0.40230%0.302SS..  trans84.4-1.5169.300000116.1V351 K509V351-G353 PolarHBondContact O-N 3.07Å; G353-K509 VanDerWaalsContact C-NZ 3.35Å; G353-K509 WeakPolarHBondContact O-CE 3.38Å; G353-K509 PolarHBondContact O-NZ 3.01Å
354F92.8Very high88.7Confident12 Ų1257.5 Ų57.55%0.05331%0.305CS..  trans-87.5157.7175.7-69.4-91.4000112.2V269 M271 H352 E356 P358 L502 E505V269-F354 HydrophobicContact CG1-CE1 4.16Å; V269-F354 HydrophobicContact CG1-CZ 4.09Å; V269-F354 WeakPolarHBondContact O-CE2 3.34Å; M271-F354 HydrophobicContact CG-CE2 4.38Å; M271-F354 HydrophobicContact CG-CZ 4.23Å; M271-F354 HydrophobicContact SD-CZ 4.2Å; H352-F354 PolarHBondContact CE1-O 3.09Å; H352-F354 VanDerWaalsContact CE1-O 3.31Å; H352-F354 AromaticContact ND1-CD2 3.97Å; H352-F354 PolarHBondContact ND1-N 3.21Å; H352-F354 WeakPolarHBondContact O-CD2 3.41Å; H352-F354 PolarHBondContact O-N 3.38Å; F354-E356 VanDerWaalsContact C-N 3.31Å; F354-E356 WeakPolarHBondContact CB-O 3.48Å; F354-E356 PolarHBondContact O-N 2.9Å; F354-P358 HydrophobicContact CD2-CB 3.93Å; F354-P358 HydrophobicContact CE2-CB 4.42Å; F354-P358 HydrophobicContact CG-CB 4.35Å; F354-L502 HydrophobicContact CB-CD2 3.96Å; F354-L502 HydrophobicContact CD1-CD2 3.74Å; F354-L502 HydrophobicContact CG-CD2 4.06Å; F354-E505 VanDerWaalsContact CA-OE1 3.27Å; F354-E505 WeakPolarHBondContact CA-OE1 3.44Å; F354-E505 HydrophobicContact CD1-CB 4.33Å; F354-E505 HydrophobicContact CD1-CG 4.4Å
355S87.9Confident89.3Confident88 Ų8857.7 Ų57.762%0.61531%0.313SS*.SBendtrans-77.1-14-179.5630000114.9E505S355-E505 VanDerWaalsContact CB-OE2 3.24Å; S355-E505 WeakPolarHBondContact CB-OE2 3.18Å; S355-E505 PolarHBondContact N-OE1 3.46Å; S355-E505 VanDerWaalsContact N-OE1 3.08Å; S355-E505 PolarHBondContact N-OE2 3.24Å; S355-E505 PolarHBondContact OG-OE2 3.35Å
356E89.9Confident90.1Very high41 Ų4155.3 Ų55.319%0.19230%0.297CS..SBendtrans-141.6170.6173.962.1-174.8138.900109.5H352 F354 P358 R501 L502H352-E356 PolarHBondContact CE1-O 3.49Å; F354-E356 VanDerWaalsContact C-N 3.31Å; F354-E356 WeakPolarHBondContact CB-O 3.48Å; F354-E356 PolarHBondContact O-N 2.9Å; E356-P358 WeakPolarHBondContact O-CD 3.41Å; E356-P358 VanDerWaalsContact O-N 3.16Å; E356-R501 IonicContact OE1-CZ 2.74Å; E356-R501 IonicContact OE1-NE 2.83Å; E356-R501 PolarHBondContact OE1-NE 2.9Å; E356-R501 IonicContact OE1-NH2 2.74Å; E356-R501 PolarHBondContact OE1-NH2 2.96Å; E356-R501 VanDerWaalsContact OE1-NH2 3.08Å; E356-R501 IonicContact OE2-CZ 3.64Å; E356-R501 IonicContact OE2-NE 3.97Å; E356-R501 IonicContact OE2-NH2 2.78Å; E356-R501 PolarHBondContact OE2-NH2 3.24Å; E356-L502 HydrophobicContact CG-CD2 3.66Å; E356-L502 HydrophobicContact CG-CG 4.14Å
357S90.6Very high90.6Very high11 Ų1152 Ų528%0.07728%0.281CS..  trans-54121.9177.6162.90000109.9D303 D320 L359 K498D303-S357 PolarHBondContact OD2-OG 3.16Å; D320-S357 VanDerWaalsContact O-CA 3.27Å; D320-S357 WeakPolarHBondContact O-CA 3.35Å; D320-S357 WeakPolarHBondContact O-CB 3.43Å; S357-L359 PolarHBondContact O-N 3.4Å; S357-L359 PolarHBondContact OG-N 2.82Å; S357-L359 PolarHBondContact OG-O 2.99Å; S357-K498 WeakPolarHBondContact O-CE 3.29Å; S357-K498 PolarHBondContact O-NZ 3Å
358P94.1Very high91.1Very high2 Ų246 Ų461%0.01325%0.253CS..SBendtrans-71.7-10.2-176.828-34.8000113.3L268 V269 Y319 H352 F354 E356L268-P358 HydrophobicContact CD1-CB 4.02Å; L268-P358 HydrophobicContact CD1-CG 4.05Å; V269-P358 PolarHBondContact N-O 2.83Å; V269-P358 WeakPolarHBondContact O-CB 3.44Å; Y319-P358 HydrophobicContact CD1-CG 3.62Å; Y319-P358 HydrophobicContact CE1-CG 4.14Å; Y319-P358 HydrophobicContact CG-CG 4.3Å; H352-P358 HydrophobicContact CB-CG 4.17Å; F354-P358 HydrophobicContact CD2-CB 3.93Å; F354-P358 HydrophobicContact CE2-CB 4.42Å; F354-P358 HydrophobicContact CG-CB 4.35Å; E356-P358 WeakPolarHBondContact O-CD 3.41Å; E356-P358 VanDerWaalsContact O-N 3.16Å
359L93.7Very high91.3Very high0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-91.2116.6177-177.758.3000109.9L268 F282 D303 V305 Y319 S357 T361 K498L268-L359 HydrophobicContact CB-CD1 4.25Å; L268-L359 HydrophobicContact CD1-CB 4.33Å; F282-L359 HydrophobicContact CD2-CD1 4.15Å; F282-L359 HydrophobicContact CE2-CD1 4.43Å; D303-L359 HydrophobicContact CB-CB 4.12Å; D303-L359 HydrophobicContact CB-CD2 3.73Å; D303-L359 HydrophobicContact CB-CG 4.04Å; V305-L359 HydrophobicContact CG2-CD1 4.23Å; V305-L359 HydrophobicContact CG2-CD2 3.49Å; V305-L359 VanDerWaalsContact CG2-CD2 3.49Å; Y319-L359 HydrophobicContact CD2-CB 3.96Å; Y319-L359 HydrophobicContact CD2-CD2 3.79Å; Y319-L359 HydrophobicContact CE2-CD2 4.23Å; Y319-L359 HydrophobicContact CG-CB 4.27Å; S357-L359 PolarHBondContact O-N 3.4Å; S357-L359 PolarHBondContact OG-N 2.82Å; S357-L359 PolarHBondContact OG-O 2.99Å; L359-T361 HydrophobicContact CD2-CG2 4.4Å; L359-T361 HydrophobicContact CG-CG2 3.97Å; L359-K498 PolarHBondContact O-NZ 2.81Å
360I93.7Very high91.2Very high2 Ų248.3 Ų48.31%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-99.6123.6176.8-51136.1000107.2G266 L267 V269 F495 K498 H499 L502G266-I360 CarbonylContact C-O 3.56Å; G266-I360 WeakPolarHBondContact CA-O 3.4Å; L267-I360 HydrophobicContact CB-CB 4.29Å; L267-I360 HydrophobicContact CB-CD1 4.32Å; L267-I360 HydrophobicContact CD2-CD1 3.9Å; L267-I360 HydrophobicContact CG-CD1 3.94Å; L267-I360 PolarHBondContact N-O 3.1Å; L267-I360 PolarHBondContact O-N 2.99Å; V269-I360 HydrophobicContact CG2-CD1 3.76Å; I360-F495 HydrophobicContact CB-CD2 4.46Å; I360-F495 HydrophobicContact CB-CE2 4.17Å; I360-F495 HydrophobicContact CG2-CD1 4.46Å; I360-F495 HydrophobicContact CG2-CD2 3.33Å; I360-F495 HydrophobicContact CG2-CE2 3.48Å; I360-F495 VanDerWaalsContact CG2-CE2 3.48Å; I360-F495 HydrophobicContact CG2-CG 3.87Å; I360-F495 HydrophobicContact CG2-CZ 4.11Å; I360-K498 HydrophobicContact CB-CD 4.33Å; I360-K498 HydrophobicContact CG1-CB 4.34Å; I360-K498 HydrophobicContact CG1-CD 3.85Å; I360-K498 HydrophobicContact CG1-CG 3.9Å; I360-K498 HydrophobicContact CG2-CB 4.29Å; I360-K498 HydrophobicContact CG2-CD 4.15Å; I360-K498 HydrophobicContact CG2-CG 4.5Å; I360-H499 HydrophobicContact CD1-CB 3.91Å; I360-L502 HydrophobicContact CD1-CD1 3.84Å; I360-L502 HydrophobicContact CG1-CD1 3.69Å
361T91.8Very high91.4Very high39 Ų3942.9 Ų42.924%0.23924%0.242CC..EExtended strand (participates in β ladder)trans-118.4142.4-177.160.50000110.7V265 I290 T292 D303 L359V265-T361 WeakPolarHBondContact O-CA 3.49Å; I290-T361 HydrophobicContact CG2-CG2 3.49Å; I290-T361 VanDerWaalsContact CG2-CG2 3.49Å; T292-T361 PolarHBondContact OG1-OG1 3.22Å; T292-T361 VanDerWaalsContact OG1-OG1 3.13Å; D303-T361 HydrophobicContact CB-CG2 4.3Å; D303-T361 PolarHBondContact OD1-OG1 2.92Å; L359-T361 HydrophobicContact CD2-CG2 4.4Å; L359-T361 HydrophobicContact CG-CG2 3.97Å
362K92.6Very high91.6Very high36 Ų3639 Ų3916%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-135.3125.1170179.171.6172.7171.70108.4Q259 D264 V265 E491 W492 F495Q259-K362 HydrophobicContact CG-CG 4.13Å; D264-K362 CarbonylContact C-O 3.52Å; D264-K362 VanDerWaalsContact CA-O 3.24Å; D264-K362 WeakPolarHBondContact CA-O 3.47Å; V265-K362 HydrophobicContact CG1-CB 4.04Å; V265-K362 PolarHBondContact N-O 2.5Å; V265-K362 PolarHBondContact O-N 3.06Å; K362-E491 PolarHBondContact NZ-O 2.99Å; K362-W492 HydrophobicContact CB-CH2 4.31Å; K362-W492 HydrophobicContact CB-CZ3 4.44Å; K362-W492 HydrophobicContact CG-CD2 4.35Å; K362-W492 HydrophobicContact CG-CE3 4.46Å; K362-W492 HydrophobicContact CG-CH2 3.97Å; K362-W492 HydrophobicContact CG-CZ2 3.85Å; K362-W492 HydrophobicContact CG-CZ3 4.28Å; K362-F495 HydrophobicContact CB-CD2 3.61Å; K362-F495 HydrophobicContact CB-CE2 3.96Å; K362-F495 HydrophobicContact CB-CG 4.43Å
363R89.2Confident91.6Very high164 Ų16443.8 Ų43.862%0.61924%0.244SC*.EExtended strand (participates in β ladder)trans-118.7137.5173.4-178.4178.8-72-81.7-5.7108.3G263 D264 I290G263-R363 WeakPolarHBondContact O-CA 3.4Å; D264-R363 HydrophobicContact CB-CB 4.27Å; D264-R363 HydrophobicContact CB-CG 4.39Å; D264-R363 IonicContact OD2-CZ 3.76Å; D264-R363 VanDerWaalsContact OD2-CZ 3.29Å; D264-R363 IonicContact OD2-NH1 3.24Å; D264-R363 PolarHBondContact OD2-NH1 2.83Å; D264-R363 IonicContact OD2-NH2 3.77Å; D264-R363 PolarHBondContact OD2-NH2 2.97Å; I290-R363 PolarHBondContact O-NH2 2.8Å
364G89.5Confident92.1Very high29 Ų2944 Ų4430%0.29924%0.236SC..  trans-172.5-178.7-179.100000111.4Q259 G263Q259-G364 PolarHBondContact NE2-O 3.19Å; G263-G364 CarbonylContact C-O 3.46Å; G263-G364 VanDerWaalsContact CA-O 3.23Å; G263-G364 WeakPolarHBondContact CA-O 3.28Å; G263-G364 PolarHBondContact O-N 3.23Å
365D91.7Very high92.2Very high108 Ų10843.4 Ų43.458%0.57823%0.233SC*.  trans-72.6151.6-179.9-71-2.1000111.8Q259 N369Q259-D365 PolarHBondContact NE2-O 3.44Å; D365-N369 HydrophobicContact CB-CB 3.98Å; D365-N369 VanDerWaalsContact CG-ND2 3.29Å; D365-N369 PolarHBondContact OD2-ND2 3.41Å
366V94.1Very high92.3Very high5 Ų541.1 Ų41.13%0.0321%0.213CC..  trans-70.2155.9170-64.50000110.7F161 Q260 W368 N369F161-V366 HydrophobicContact CB-CG1 4.16Å; F161-V366 HydrophobicContact CD1-CG1 4.02Å; F161-V366 HydrophobicContact CD1-CG2 3.93Å; F161-V366 HydrophobicContact CD2-CG1 3.7Å; F161-V366 HydrophobicContact CE1-CG1 4.3Å; F161-V366 HydrophobicContact CE1-CG2 3.92Å; F161-V366 HydrophobicContact CE2-CG1 4.02Å; F161-V366 HydrophobicContact CG-CG1 3.71Å; F161-V366 HydrophobicContact CG-CG2 4.48Å; F161-V366 HydrophobicContact CZ-CG1 4.31Å; F161-V366 HydrophobicContact CZ-CG2 4.45Å; Q260-V366 CarbonylContact O-C 3.56Å; Q260-V366 VanDerWaalsContact O-CA 3.31Å; Q260-V366 WeakPolarHBondContact O-CA 3.3Å; Q260-V366 WeakPolarHBondContact O-CB 3.42Å; V366-W368 HydrophobicContact CB-CD2 4.38Å; V366-W368 HydrophobicContact CB-CE3 4.33Å; V366-W368 HydrophobicContact CB-CH2 4.13Å; V366-W368 HydrophobicContact CB-CZ2 4.2Å; V366-W368 HydrophobicContact CB-CZ3 4.17Å; V366-W368 HydrophobicContact CG1-CH2 4.43Å; V366-W368 HydrophobicContact CG2-CD2 4.09Å; V366-W368 HydrophobicContact CG2-CG 4.48Å; V366-W368 HydrophobicContact CG2-CH2 4.49Å; V366-W368 HydrophobicContact CG2-CZ2 4.07Å; V366-W368 PolarHBondContact O-N 3.38Å; V366-N369 HydrophobicContact CG2-CB 3.9Å; V366-N369 VanDerWaalsContact O-CB 3.32Å; V366-N369 WeakPolarHBondContact O-CB 3.24Å; V366-N369 PolarHBondContact O-N 3.43Å
367A93.8Very high92.4Very high7 Ų742.4 Ų42.46%0.05822%0.221CC..THydrogen-bonded Turntrans-60.3-26.7-168.900000114.8I206 V207 K210 Q260I206-A367 HydrophobicContact CG2-CB 3.92Å; I206-A367 WeakPolarHBondContact CG2-O 3.35Å; V207-A367 HydrophobicContact CG2-CB 3.8Å; K210-A367 HydrophobicContact CD-CB 4.09Å; Q260-A367 HydrophobicContact CB-CB 4.1Å; Q260-A367 HydrophobicContact CG-CB 4.42Å; Q260-A367 PolarHBondContact O-N 3.35Å
368W94.8Very high92.4Very high1 Ų142.6 Ų42.60%0.00422%0.22CC..THydrogen-bonded Turntrans-105.18.2-178.463.889.2000113.8F161 E164 L165 Q203 I206 V207 Q260 S261 V366 N370 G371 Q372 I375F161-W368 HydrophobicContact CB-CZ2 4.38Å; E164-W368 HydrophobicContact CB-CZ2 3.95Å; E164-W368 PolarHBondContact OE2-NE1 3.23Å; L165-W368 HydrophobicContact CB-CH2 3.86Å; L165-W368 HydrophobicContact CB-CZ2 4.36Å; L165-W368 HydrophobicContact CD1-CH2 3.89Å; L165-W368 HydrophobicContact CD1-CZ3 3.81Å; L165-W368 HydrophobicContact CD2-CH2 4.5Å; L165-W368 HydrophobicContact CG-CH2 4.3Å; Q203-W368 HydrophobicContact CB-CD2 3.66Å; Q203-W368 HydrophobicContact CB-CE3 3.74Å; Q203-W368 HydrophobicContact CB-CG 4.06Å; Q203-W368 HydrophobicContact CB-CZ2 4.44Å; Q203-W368 HydrophobicContact CB-CZ3 4.21Å; Q203-W368 HydrophobicContact CG-CB 4.13Å; Q203-W368 HydrophobicContact CG-CD2 3.49Å; Q203-W368 VanDerWaalsContact CG-CD2 3.49Å; Q203-W368 HydrophobicContact CG-CE3 4.13Å; Q203-W368 HydrophobicContact CG-CG 3.47Å; Q203-W368 VanDerWaalsContact CG-CG 3.47Å; Q203-W368 HydrophobicContact CG-CZ2 4.36Å; I206-W368 HydrophobicContact CD1-CB 4.05Å; V207-W368 HydrophobicContact CG2-CE3 3.81Å; V207-W368 HydrophobicContact CG2-CZ3 3.43Å; V207-W368 VanDerWaalsContact CG2-CZ3 3.43Å; Q260-W368 WeakPolarHBondContact O-CZ3 3.46Å; S261-W368 WeakPolarHBondContact O-CH2 3.43Å; V366-W368 HydrophobicContact CB-CD2 4.38Å; V366-W368 HydrophobicContact CB-CE3 4.33Å; V366-W368 HydrophobicContact CB-CH2 4.13Å; V366-W368 HydrophobicContact CB-CZ2 4.2Å; V366-W368 HydrophobicContact CB-CZ3 4.17Å; V366-W368 HydrophobicContact CG1-CH2 4.43Å; V366-W368 HydrophobicContact CG2-CD2 4.09Å; V366-W368 HydrophobicContact CG2-CG 4.48Å; V366-W368 HydrophobicContact CG2-CH2 4.49Å; V366-W368 HydrophobicContact CG2-CZ2 4.07Å; V366-W368 PolarHBondContact O-N 3.38Å; W368-N370 VanDerWaalsContact C-N 3.28Å; W368-N370 PolarHBondContact O-N 3.01Å; W368-N370 VanDerWaalsContact O-N 3.13Å; W368-G371 CarbonylContact O-C 3.6Å; W368-G371 WeakPolarHBondContact O-CA 3.32Å; W368-G371 PolarHBondContact O-N 3.1Å; W368-Q372 PolarHBondContact O-N 3.25Å; W368-I375 HydrophobicContact CB-CD1 4.05Å
369N91.1Very high92.3Very high61 Ų6142.7 Ų42.733%0.32622%0.221SC..G310 helixtrans-51.2-44.7-169.1-164.349000113D365 V366 G371D365-N369 HydrophobicContact CB-CB 3.98Å; D365-N369 VanDerWaalsContact CG-ND2 3.29Å; D365-N369 PolarHBondContact OD2-ND2 3.41Å; V366-N369 HydrophobicContact CG2-CB 3.9Å; V366-N369 VanDerWaalsContact O-CB 3.32Å; V366-N369 WeakPolarHBondContact O-CB 3.24Å; V366-N369 PolarHBondContact O-N 3.43Å; N369-G371 VanDerWaalsContact C-N 3.34Å; N369-G371 PolarHBondContact O-N 3.24Å
370N90.6Very high92Very high124 Ų12445.8 Ų45.866%0.66324%0.236SC*.G310 helixtrans-78.3-13.4179.3-66.4-20.8000114.4W368 A452W368-N370 VanDerWaalsContact C-N 3.28Å; W368-N370 PolarHBondContact O-N 3.01Å; W368-N370 VanDerWaalsContact O-N 3.13Å; N370-A452 VanDerWaalsContact CB-O 3.26Å; N370-A452 WeakPolarHBondContact CB-O 3.26Å
371G92.5Very high91.7Very high0 Ų046.9 Ų46.90%024%0.242CC..G310 helixtrans-109.6-0.5-177.900000114.6W368 N369 D373 L374 I375W368-G371 CarbonylContact O-C 3.6Å; W368-G371 WeakPolarHBondContact O-CA 3.32Å; W368-G371 PolarHBondContact O-N 3.1Å; N369-G371 VanDerWaalsContact C-N 3.34Å; N369-G371 PolarHBondContact O-N 3.24Å; G371-D373 VanDerWaalsContact C-N 3.35Å; G371-D373 PolarHBondContact O-N 2.98Å; G371-L374 WeakPolarHBondContact O-CB 3.26Å; G371-L374 PolarHBondContact O-N 2.8Å; G371-L374 VanDerWaalsContact O-N 3.08Å; G371-I375 PolarHBondContact O-N 3.06Å; G371-I375 VanDerWaalsContact O-N 3.1Å
372Q93.3Very high91.5Very high17 Ų1749.9 Ų49.98%0.07925%0.25CC..Hα-helixtrans-58.3-43.2-170.9179.552.822.700113W368 L374 I375 E376W368-Q372 PolarHBondContact O-N 3.25Å; Q372-L374 VanDerWaalsContact C-N 3.29Å; Q372-L374 PolarHBondContact O-N 3.39Å; Q372-I375 PolarHBondContact O-N 2.87Å; Q372-E376 PolarHBondContact NE2-OE1 3.46Å; Q372-E376 PolarHBondContact O-N 2.96Å
373D91.6Very high91.1Very high133 Ų13348.5 Ų48.571%0.71124%0.244SC*.Hα-helixtrans-64.1-35179-67.5-24.6000112.2G371 L377G371-D373 VanDerWaalsContact C-N 3.35Å; G371-D373 PolarHBondContact O-N 2.98Å; D373-L377 WeakPolarHBondContact O-CB 3.35Å; D373-L377 PolarHBondContact O-N 3.27Å
374L95.1Very high90.8Very high43 Ų4343.4 Ų43.423%0.22523%0.228CC..Hα-helixtrans-69.4-36.8176.7-65.9172.5000111.6G371 Q372 L377 F378 I445 Q448 L449 A452G371-L374 WeakPolarHBondContact O-CB 3.26Å; G371-L374 PolarHBondContact O-N 2.8Å; G371-L374 VanDerWaalsContact O-N 3.08Å; Q372-L374 VanDerWaalsContact C-N 3.29Å; Q372-L374 PolarHBondContact O-N 3.39Å; L374-L377 PolarHBondContact O-N 3.37Å; L374-F378 WeakPolarHBondContact O-CB 3.23Å; L374-F378 PolarHBondContact O-N 2.9Å; L374-I445 HydrophobicContact CB-CG2 4.29Å; L374-I445 WeakPolarHBondContact O-CG2 3.18Å; L374-Q448 HydrophobicContact CD1-CB 3.89Å; L374-Q448 HydrophobicContact CD2-CB 4.4Å; L374-L449 HydrophobicContact CB-CD1 4.31Å; L374-L449 HydrophobicContact CD1-CB 4.42Å; L374-A452 HydrophobicContact CD1-CB 4.06Å
375I94.1Very high90.4Very high0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-65.3-48.6175.4-60.9169.5000110M202 Q203 I206 W368 G371 Q372 L377 F378 E379 L449M202-I375 HydrophobicContact CB-CD1 4.07Å; M202-I375 HydrophobicContact CB-CG1 4.15Å; M202-I375 HydrophobicContact CB-CG2 4.06Å; M202-I375 HydrophobicContact CG-CG2 4.48Å; M202-I375 HydrophobicContact SD-CG1 4.19Å; M202-I375 HydrophobicContact SD-CG2 4.11Å; Q203-I375 HydrophobicContact CG-CD1 3.81Å; Q203-I375 VanDerWaalsContact NE2-CG2 3.34Å; I206-I375 HydrophobicContact CD1-CD1 4.02Å; W368-I375 HydrophobicContact CB-CD1 4.05Å; G371-I375 PolarHBondContact O-N 3.06Å; G371-I375 VanDerWaalsContact O-N 3.1Å; Q372-I375 PolarHBondContact O-N 2.87Å; I375-L377 VanDerWaalsContact C-N 3.3Å; I375-L377 PolarHBondContact O-N 3.45Å; I375-F378 PolarHBondContact O-N 3.18Å; I375-E379 HydrophobicContact CG2-CG 4.44Å; I375-E379 WeakPolarHBondContact O-CG 3.32Å; I375-E379 PolarHBondContact O-N 2.89Å; I375-L449 HydrophobicContact CD1-CD1 4.13Å; I375-L449 HydrophobicContact CG1-CD1 3.67Å; I375-L449 HydrophobicContact CG1-CD2 3.87Å; I375-L449 HydrophobicContact CG1-CG 4.45Å
376E90.8Very high89.7Confident40 Ų4040.4 Ų40.419%0.18721%0.211CC..Hα-helixtrans-59.3-42.5177.9-67.6-165.9169.700111.3R160 R171 Q372 E379 I380R160-E376 IonicContact CZ-OE1 3.12Å; R160-E376 IonicContact NH2-OE1 3.77Å; R160-E376 PolarHBondContact NH2-OE1 2.88Å; R171-E376 WeakPolarHBondContact CD-OE1 3.49Å; Q372-E376 PolarHBondContact NE2-OE1 3.46Å; Q372-E376 PolarHBondContact O-N 2.96Å; E376-E379 PolarHBondContact O-N 3.18Å; E376-I380 VanDerWaalsContact O-CG1 3.29Å; E376-I380 WeakPolarHBondContact O-CG1 3.16Å; E376-I380 PolarHBondContact O-N 2.59Å; E376-I380 VanDerWaalsContact O-N 3.12Å
377L91Very high88.8Confident69 Ų6940.8 Ų40.836%0.36121%0.213SC..Hα-helixtrans-61.3-46.7174.9179.961.8000112D373 L374 I375 E379 I380 I381 I445D373-L377 WeakPolarHBondContact O-CB 3.35Å; D373-L377 PolarHBondContact O-N 3.27Å; L374-L377 PolarHBondContact O-N 3.37Å; I375-L377 VanDerWaalsContact C-N 3.3Å; I375-L377 PolarHBondContact O-N 3.45Å; L377-E379 VanDerWaalsContact C-N 3.33Å; L377-E379 PolarHBondContact O-N 2.91Å; L377-I380 PolarHBondContact O-N 3.04Å; L377-I381 HydrophobicContact CD1-CG1 4.11Å; L377-I381 HydrophobicContact CG-CG1 4.49Å; L377-I381 VanDerWaalsContact O-CG1 3.27Å; L377-I381 WeakPolarHBondContact O-CG1 3.31Å; L377-I381 PolarHBondContact O-N 3.06Å; L377-I445 HydrophobicContact CD2-CD1 4.06Å; L377-I445 HydrophobicContact CD2-CG1 4.36Å; L377-I445 HydrophobicContact CG-CD1 4.01Å
378F92.6Very high87.7Confident15 Ų1543 Ų437%0.06622%0.223CC..Hα-helixtrans-58.5-45.6178.8-173.5-86.3000111.4I200 M202 L374 I375 I380 I381 Y382 M442 I445 L446I200-F378 HydrophobicContact CD1-CD1 3.78Å; I200-F378 HydrophobicContact CD1-CE1 3.51Å; M202-F378 HydrophobicContact CE-CB 4.44Å; M202-F378 HydrophobicContact CE-CD1 3.24Å; M202-F378 HydrophobicContact CE-CD2 4.16Å; M202-F378 HydrophobicContact CE-CE1 3.35Å; M202-F378 HydrophobicContact CE-CE2 4.24Å; M202-F378 HydrophobicContact CE-CG 3.69Å; M202-F378 HydrophobicContact CE-CZ 3.86Å; M202-F378 HydrophobicContact SD-CD1 4.25Å; M202-F378 HydrophobicContact SD-CG 4.44Å; L374-F378 WeakPolarHBondContact O-CB 3.23Å; L374-F378 PolarHBondContact O-N 2.9Å; I375-F378 PolarHBondContact O-N 3.18Å; F378-I380 PolarHBondContact O-N 3.42Å; F378-I381 PolarHBondContact O-N 3.48Å; F378-Y382 HydrophobicContact CE1-CD2 4.16Å; F378-Y382 HydrophobicContact CE1-CG 4.4Å; F378-Y382 HydrophobicContact CZ-CD2 4.43Å; F378-Y382 VanDerWaalsContact O-CB 3.23Å; F378-Y382 WeakPolarHBondContact O-CB 3.37Å; F378-Y382 PolarHBondContact O-N 2.76Å; F378-M442 HydrophobicContact CD2-CB 4.45Å; F378-M442 HydrophobicContact CE2-CB 3.81Å; F378-M442 HydrophobicContact CE2-CG 4.19Å; F378-M442 WeakPolarHBondContact CE2-O 3.48Å; F378-M442 HydrophobicContact CZ-CB 4.49Å; F378-M442 HydrophobicContact CZ-SD 4.49Å; F378-I445 HydrophobicContact CB-CG2 3.86Å; F378-I445 HydrophobicContact CD2-CB 4.15Å; F378-I445 HydrophobicContact CD2-CG2 4.02Å; F378-I445 HydrophobicContact CG-CG2 4.44Å; F378-L446 HydrophobicContact CD2-CD2 4.22Å; F378-L446 HydrophobicContact CD2-CG 4.12Å; F378-L446 HydrophobicContact CE2-CD1 3.91Å; F378-L446 HydrophobicContact CE2-CD2 3.88Å; F378-L446 HydrophobicContact CE2-CG 3.59Å; F378-L446 HydrophobicContact CZ-CD1 4.25Å; F378-L446 HydrophobicContact CZ-CD2 4.25Å; F378-L446 HydrophobicContact CZ-CG 4.26Å
379E90.5Very high86.7Confident4 Ų446 Ų462%0.01924%0.237CC..Hα-helixtrans-63.3-42.6-179.9-70.3-172.6143.800112.8H170 V172 G199 I200 I375 E376 L377 Y382 N383H170-E379 IonicContact CE1-OE1 2.69Å; H170-E379 PolarHBondContact CE1-OE1 2.79Å; H170-E379 IonicContact CG-OE1 3.75Å; H170-E379 IonicContact ND1-OE1 2.75Å; H170-E379 PolarHBondContact ND1-OE1 3.33Å; H170-E379 IonicContact ND1-OE2 3.66Å; H170-E379 PolarHBondContact ND1-OE2 2.65Å; V172-E379 HydrophobicContact CB-CB 4.18Å; V172-E379 HydrophobicContact CG1-CB 4.13Å; V172-E379 HydrophobicContact CG2-CB 4.2Å; G199-E379 VanDerWaalsContact CA-OE1 3.31Å; G199-E379 WeakPolarHBondContact CA-OE1 3.39Å; I200-E379 HydrophobicContact CB-CG 4.41Å; I200-E379 HydrophobicContact CG1-CG 4.38Å; I200-E379 PolarHBondContact N-OE1 2.8Å; I375-E379 HydrophobicContact CG2-CG 4.44Å; I375-E379 WeakPolarHBondContact O-CG 3.32Å; I375-E379 PolarHBondContact O-N 2.89Å; E376-E379 PolarHBondContact O-N 3.18Å; L377-E379 VanDerWaalsContact C-N 3.33Å; L377-E379 PolarHBondContact O-N 2.91Å; E379-Y382 PolarHBondContact O-N 3.49Å; E379-N383 WeakPolarHBondContact O-CB 3.34Å; E379-N383 PolarHBondContact O-N 2.72Å; E379-N383 PolarHBondContact O-ND2 2.9Å
380I87.4Confident85.6Confident65 Ų6549.8 Ų49.833%0.33325%0.251SS..Hα-helixtrans-60.3-49.3176.7-69.3165.7000109.9V172 E376 L377 F378 N383 L384V172-I380 HydrophobicContact CG2-CG1 4.41Å; E376-I380 VanDerWaalsContact O-CG1 3.29Å; E376-I380 WeakPolarHBondContact O-CG1 3.16Å; E376-I380 PolarHBondContact O-N 2.59Å; E376-I380 VanDerWaalsContact O-N 3.12Å; L377-I380 PolarHBondContact O-N 3.04Å; F378-I380 PolarHBondContact O-N 3.42Å; I380-N383 PolarHBondContact O-N 3.3Å; I380-L384 WeakPolarHBondContact O-CB 3.36Å; I380-L384 PolarHBondContact O-N 2.86Å
381I86.9Confident84.2Confident25 Ų2549.7 Ų49.713%0.12824%0.241CC..Hα-helixtrans-65.5-42.2-178.7-64.2-64.4000111.3L377 F378 L384 F385 M438 F441 M442L377-I381 HydrophobicContact CD1-CG1 4.11Å; L377-I381 HydrophobicContact CG-CG1 4.49Å; L377-I381 VanDerWaalsContact O-CG1 3.27Å; L377-I381 WeakPolarHBondContact O-CG1 3.31Å; L377-I381 PolarHBondContact O-N 3.06Å; F378-I381 PolarHBondContact O-N 3.48Å; I381-L384 PolarHBondContact O-N 3.02Å; I381-F385 VanDerWaalsContact O-CB 3.26Å; I381-F385 WeakPolarHBondContact O-CB 3.33Å; I381-F385 PolarHBondContact O-N 2.98Å; I381-M438 HydrophobicContact CG2-CE 3.76Å; I381-F441 HydrophobicContact CD1-CE1 4.1Å; I381-F441 HydrophobicContact CG1-CE1 4.04Å; I381-F441 HydrophobicContact CG2-CD1 4.27Å; I381-M442 HydrophobicContact CG2-CG 3.74Å; I381-M442 HydrophobicContact CG2-SD 4.32Å
382Y88.1Confident82.8Confident102 Ų10252.7 Ų52.740%0.426%0.255SS..Hα-helixtrans-62.5-45.8178.9-175.7-91.7000112I200 F378 E379 F385 A386 M442I200-Y382 HydrophobicContact CD1-CD1 3.9Å; I200-Y382 HydrophobicContact CD1-CD2 4.34Å; I200-Y382 HydrophobicContact CD1-CE1 4.36Å; I200-Y382 HydrophobicContact CD1-CG 3.89Å; F378-Y382 HydrophobicContact CE1-CD2 4.16Å; F378-Y382 HydrophobicContact CE1-CG 4.4Å; F378-Y382 HydrophobicContact CZ-CD2 4.43Å; F378-Y382 VanDerWaalsContact O-CB 3.23Å; F378-Y382 WeakPolarHBondContact O-CB 3.37Å; F378-Y382 PolarHBondContact O-N 2.76Å; E379-Y382 PolarHBondContact O-N 3.49Å; Y382-F385 PolarHBondContact O-N 3Å; Y382-A386 PolarHBondContact O-N 2.57Å; Y382-M442 HydrophobicContact CD2-SD 3.94Å
383N85.6Confident81.1Confident6 Ų653.4 Ų53.43%0.03227%0.266CS..Hα-helixtrans-66.1-41.3177-77.7-80.8000111.3L178 K197 F198 E379 I380 F385 A386 V387L178-N383 HydrophobicContact CD1-CB 4.04Å; L178-N383 HydrophobicContact CD2-CB 4.09Å; K197-N383 WeakPolarHBondContact CA-OD1 3.09Å; F198-N383 PolarHBondContact N-OD1 2.66Å; F198-N383 PolarHBondContact O-ND2 3.4Å; E379-N383 WeakPolarHBondContact O-CB 3.34Å; E379-N383 PolarHBondContact O-N 2.72Å; E379-N383 PolarHBondContact O-ND2 2.9Å; I380-N383 PolarHBondContact O-N 3.3Å; N383-F385 PolarHBondContact O-N 2.83Å; N383-A386 PolarHBondContact O-N 2.72Å; N383-V387 WeakPolarHBondContact O-CG2 3.5Å; N383-V387 PolarHBondContact O-N 3.47Å; N383-V387 VanDerWaalsContact O-N 3.14Å
384L81.6Confident79.6Confident57 Ų5755.8 Ų55.830%0.29827%0.266SS..Hα-helixtrans-60.9-44.2174.7-173.672.3000111.7L178 P179 I380 I381 A386 V387 I388L178-L384 HydrophobicContact CD2-CB 4.45Å; P179-L384 HydrophobicContact CG-CD1 4.4Å; I380-L384 WeakPolarHBondContact O-CB 3.36Å; I380-L384 PolarHBondContact O-N 2.86Å; I381-L384 PolarHBondContact O-N 3.02Å; L384-A386 PolarHBondContact O-N 3.39Å; L384-V387 PolarHBondContact O-N 3.11Å; L384-I388 HydrophobicContact CD2-CD1 4.48Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 WeakPolarHBondContact O-CG1 3.43Å; L384-I388 PolarHBondContact O-N 3.19Å
385F81.3Confident77.9Confident31 Ų3153.8 Ų53.814%0.13626%0.256CS..Hα-helixtrans-60.1-44.5177.9-180-115000111.7I381 Y382 N383 V387 I388 Q389 P435 M438 I439 M442I381-F385 VanDerWaalsContact O-CB 3.26Å; I381-F385 WeakPolarHBondContact O-CB 3.33Å; I381-F385 PolarHBondContact O-N 2.98Å; Y382-F385 PolarHBondContact O-N 3Å; N383-F385 PolarHBondContact O-N 2.83Å; F385-V387 VanDerWaalsContact C-N 3.32Å; F385-V387 PolarHBondContact O-N 3.27Å; F385-I388 PolarHBondContact O-N 3.08Å; F385-Q389 HydrophobicContact CD2-CG 4.21Å; F385-Q389 HydrophobicContact CE1-CG 4.15Å; F385-Q389 HydrophobicContact CE2-CG 3.83Å; F385-Q389 HydrophobicContact CZ-CG 3.79Å; F385-Q389 WeakPolarHBondContact O-CG 3.41Å; F385-Q389 PolarHBondContact O-N 2.82Å; F385-P435 HydrophobicContact CE2-CB 3.54Å; F385-P435 HydrophobicContact CZ-CB 3.57Å; F385-M438 HydrophobicContact CB-CE 4.07Å; F385-M438 HydrophobicContact CD2-CB 3.65Å; F385-M438 HydrophobicContact CD2-CE 4.32Å; F385-M438 HydrophobicContact CD2-CG 4.1Å; F385-M438 HydrophobicContact CE2-CB 3.84Å; F385-M438 HydrophobicContact CE2-CG 4.49Å; F385-I439 HydrophobicContact CZ-CD1 4.45Å; F385-I439 HydrophobicContact CZ-CG1 4.09Å; F385-M442 HydrophobicContact CD1-CE 3.83Å; F385-M442 HydrophobicContact CE1-CE 4.1Å; F385-M442 HydrophobicContact CG-CE 4.26Å
386A78.1Confident76.5Confident44 Ų4455 Ų5536%0.36426%0.262SS..Hα-helixtrans-60-40.4175.300000112.6Y382 N383 L384 K390Y382-A386 PolarHBondContact O-N 2.57Å; N383-A386 PolarHBondContact O-N 2.72Å; L384-A386 PolarHBondContact O-N 3.39Å; A386-K390 WeakPolarHBondContact O-CB 3.36Å; A386-K390 WeakPolarHBondContact O-CG 3.41Å; A386-K390 PolarHBondContact O-N 3.3Å; A386-K390 VanDerWaalsContact O-N 3.09Å
387V73.5Confident75.3Confident12 Ų1254.4 Ų54.47%0.07326%0.26CS..Hα-helixtrans-64.4-45.4175.6173.70000111.3P179 F195 N383 L384 F385 K390 R391P179-V387 HydrophobicContact CG-CG1 4.29Å; F195-V387 HydrophobicContact CB-CG2 4.07Å; F195-V387 HydrophobicContact CD1-CG2 4.42Å; F195-V387 HydrophobicContact CD2-CB 4.48Å; F195-V387 HydrophobicContact CD2-CG1 4.05Å; F195-V387 HydrophobicContact CD2-CG2 3.72Å; F195-V387 HydrophobicContact CE2-CB 4.48Å; F195-V387 HydrophobicContact CE2-CG1 3.69Å; F195-V387 HydrophobicContact CE2-CG2 4.19Å; F195-V387 HydrophobicContact CG-CG2 3.82Å; F195-V387 HydrophobicContact CZ-CG1 4.1Å; N383-V387 WeakPolarHBondContact O-CG2 3.5Å; N383-V387 PolarHBondContact O-N 3.47Å; N383-V387 VanDerWaalsContact O-N 3.14Å; L384-V387 PolarHBondContact O-N 3.11Å; F385-V387 VanDerWaalsContact C-N 3.32Å; F385-V387 PolarHBondContact O-N 3.27Å; V387-K390 PolarHBondContact O-N 2.91Å; V387-R391 WeakPolarHBondContact O-CB 3.17Å; V387-R391 PolarHBondContact O-N 2.86Å
388I72.1Confident74.4Confident55 Ų5553.7 Ų53.728%0.28225%0.253SS..Hα-helixtrans-60.7-48.8178.8-69.1167.4000110.7L384 F385 K390 R391 H392L384-I388 HydrophobicContact CD2-CD1 4.48Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 WeakPolarHBondContact O-CG1 3.43Å; L384-I388 PolarHBondContact O-N 3.19Å; F385-I388 PolarHBondContact O-N 3.08Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 3.47Å; I388-R391 PolarHBondContact O-N 3.42Å; I388-R391 VanDerWaalsContact O-N 3.11Å; I388-H392 PolarHBondContact O-N 2.84Å
389Q73.4Confident73.3Confident62 Ų6254 Ų5429%0.2926%0.255SS..Hα-helixtrans-63.1-37-179.6-67.3-6476.800112F385 G393F385-Q389 HydrophobicContact CD2-CG 4.21Å; F385-Q389 HydrophobicContact CE1-CG 4.15Å; F385-Q389 HydrophobicContact CE2-CG 3.83Å; F385-Q389 HydrophobicContact CZ-CG 3.79Å; F385-Q389 WeakPolarHBondContact O-CG 3.41Å; F385-Q389 PolarHBondContact O-N 2.82Å; Q389-G393 WeakPolarHBondContact O-CA 3.25Å; Q389-G393 PolarHBondContact O-N 2.89Å
390K67.6Low72.1Confident141 Ų14157 Ų5761%0.61327%0.268SS*.Hα-helixtrans-69-35.1172.8-80.2-110.5-179.2175.20113.4F195 A386 V387 I388F195-K390 HydrophobicContact CE1-CB 3.98Å; A386-K390 WeakPolarHBondContact O-CB 3.36Å; A386-K390 WeakPolarHBondContact O-CG 3.41Å; A386-K390 PolarHBondContact O-N 3.3Å; A386-K390 VanDerWaalsContact O-N 3.09Å; V387-K390 PolarHBondContact O-N 2.91Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 3.47Å
391R62.3Low71.2Confident123 Ų12355 Ų5546%0.46426%0.264SS..Hα-helixtrans-80.3-38.4-177.1-171174.1-176.2159.80.7113.4I181 V387 I388I181-R391 HydrophobicContact CD1-CB 4.13Å; I181-R391 HydrophobicContact CD1-CG 4.03Å; V387-R391 WeakPolarHBondContact O-CB 3.17Å; V387-R391 PolarHBondContact O-N 2.86Å; I388-R391 PolarHBondContact O-N 3.42Å; I388-R391 VanDerWaalsContact O-N 3.11Å
392H62.1Low70.2Confident63 Ų6363.2 Ų63.229%0.29230%0.299SS..Hα-helixtrans-117.8-11.7-171.1-61.8-72.7000113.9I388 W394 G395 P432I388-H392 PolarHBondContact O-N 2.84Å; H392-W394 PolarHBondContact O-N 3.23Å; H392-W394 VanDerWaalsContact O-N 3.15Å; H392-G395 PolarHBondContact O-N 3.2Å; H392-P432 VanDerWaalsContact O-CB 3.3Å; H392-P432 WeakPolarHBondContact O-CB 3.21Å; H392-P432 WeakPolarHBondContact O-CG 3.32Å
393G57.8Low69Low31 Ų3161.4 Ų61.432%0.3230%0.295SS..THydrogen-bonded Turntrans-66.4-14.7-172.900000116Q389 P432Q389-G393 WeakPolarHBondContact O-CA 3.25Å; Q389-G393 PolarHBondContact O-N 2.89Å; G393-P432 WeakPolarHBondContact O-CG 3.5Å
394W60.4Low67.8Low183 Ų18366.5 Ų66.569%0.69332%0.323SS*.THydrogen-bonded Turntrans-91.3-3177.6-60-27.7000114.2H392 F429H392-W394 PolarHBondContact O-N 3.23Å; H392-W394 VanDerWaalsContact O-N 3.15Å; W394-F429 WeakPolarHBondContact O-CZ 3.31Å
395G58Low66.6Low2 Ų272.5 Ų72.52%0.02135%0.349CS..  trans73.3153.9-169.500000112.3H392 K430H392-G395 PolarHBondContact O-N 3.2Å; G395-K430 CarbonylContact C-O 3.55Å; G395-K430 VanDerWaalsContact CA-O 3.26Å; G395-K430 WeakPolarHBondContact CA-O 3.21Å
396I65.3Low65.2Low26 Ų2676.2 Ų76.213%0.13338%0.375CS..EExtended strand (participates in β ladder)trans-121.1125.2-176.6-60.6174.3000108.8Y398 L416 F429 K430I396-Y398 PolarHBondContact O-N 2.77Å; I396-L416 HydrophobicContact CG2-CB 4.19Å; I396-L416 HydrophobicContact CG2-CD1 3.68Å; I396-L416 HydrophobicContact CG2-CG 3.73Å; I396-F429 CarbonylContact O-C 3.49Å; I396-K430 HydrophobicContact CB-CB 4.43Å; I396-K430 PolarHBondContact N-O 2.86Å; I396-K430 PolarHBondContact O-N 3.28Å
397L65.2Low63.9Low27 Ų2776.8 Ų76.814%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-83.5100.5171.3-175.564.3000108.9I399 I410 I414 I415 L416 F429L397-I399 HydrophobicContact CD2-CD1 3.94Å; L397-I399 HydrophobicContact CD2-CG1 4.37Å; L397-I399 HydrophobicContact CG-CD1 4.1Å; L397-I399 HydrophobicContact CG-CG1 3.98Å; L397-I410 HydrophobicContact CD2-CD1 4.22Å; L397-I410 HydrophobicContact CD2-CG2 4.38Å; L397-I414 PolarHBondContact N-O 2.84Å; L397-I415 HydrophobicContact CB-CG1 4.49Å; L397-I415 HydrophobicContact CD2-CG1 4.42Å; L397-I415 CarbonylContact O-C 3.56Å; L397-I415 VanDerWaalsContact O-CA 3.29Å; L397-I415 WeakPolarHBondContact O-CA 3.5Å; L397-L416 PolarHBondContact O-N 3.38Å; L397-F429 HydrophobicContact CB-CD2 4.09Å; L397-F429 HydrophobicContact CB-CE2 4.5Å; L397-F429 HydrophobicContact CD1-CB 4.44Å; L397-F429 HydrophobicContact CD1-CD2 4.14Å
398Y72.2Confident62.6Low53 Ų5385 Ų8521%0.20841%0.414CS..EExtended strand (participates in β ladder)trans-87.6118.6176.3177.6-109.6000109.8I396 K400 L416 D418 A427 E428I396-Y398 PolarHBondContact O-N 2.77Å; Y398-K400 HydrophobicContact CE1-CD 4.18Å; Y398-K400 HydrophobicContact CE1-CG 3.79Å; Y398-K400 WeakPolarHBondContact OH-CE 3.16Å; Y398-L416 CarbonylContact C-O 3.57Å; Y398-L416 WeakPolarHBondContact CA-O 3.32Å; Y398-L416 HydrophobicContact CD2-CB 3.86Å; Y398-D418 HydrophobicContact CE2-CB 3.8Å; Y398-D418 PolarHBondContact OH-OD2 2.69Å; Y398-A427 CarbonylContact O-C 3.56Å; Y398-A427 WeakPolarHBondContact O-CA 3.5Å; Y398-E428 PolarHBondContact N-O 2.89Å; Y398-E428 PolarHBondContact O-N 2.89Å
399I69.9Low61.2Low22 Ų2292.1 Ų92.111%0.11344%0.443CS..EExtended strand (participates in β ladder)trans-118.6120.8-177.4-58.2-178.7000108.5L397 L403 I415 L416 N417 D418 S426 A427L397-I399 HydrophobicContact CD2-CD1 3.94Å; L397-I399 HydrophobicContact CD2-CG1 4.37Å; L397-I399 HydrophobicContact CG-CD1 4.1Å; L397-I399 HydrophobicContact CG-CG1 3.98Å; I399-L403 HydrophobicContact CD1-CD1 4.31Å; I399-L403 HydrophobicContact CD1-CD2 3.96Å; I399-L403 HydrophobicContact CD1-CG 4.44Å; I399-I415 HydrophobicContact CD1-CG2 3.75Å; I399-I415 HydrophobicContact CG1-CG2 4.1Å; I399-L416 PolarHBondContact N-O 2.85Å; I399-N417 CarbonylContact O-C 3.53Å; I399-N417 WeakPolarHBondContact O-CA 3.31Å; I399-D418 PolarHBondContact O-N 2.84Å; I399-S426 CarbonylContact C-O 3.46Å; I399-S426 WeakPolarHBondContact CA-O 3.36Å; I399-A427 HydrophobicContact CG1-CB 4.07Å
400K66.5Low59.9Low66 Ų6692.6 Ų92.629%0.28745%0.447SS..EExtended strand (participates in β ladder)trans-88.7120.7166.1-76-177.4169.1-172.60109.2Y398 D418 G425 S426Y398-K400 HydrophobicContact CE1-CD 4.18Å; Y398-K400 HydrophobicContact CE1-CG 3.79Å; Y398-K400 WeakPolarHBondContact OH-CE 3.16Å; K400-D418 WeakPolarHBondContact CA-O 3.46Å; K400-D418 HydrophobicContact CG-CB 4.06Å; K400-G425 CarbonylContact O-C 3.55Å; K400-G425 WeakPolarHBondContact O-CA 3.34Å; K400-S426 PolarHBondContact N-O 3.16Å; K400-S426 PolarHBondContact O-N 3.08Å
401G68.1Low58.9Low25 Ų2590.3 Ų90.326%0.25845%0.454SS..SBendtrans117.7160.2176.600000114.5L403 N417 D418G401-L403 PolarHBondContact O-N 2.92Å; G401-L403 VanDerWaalsContact O-N 3.15Å; G401-N417 PolarHBondContact O-OD1 3.04Å; G401-D418 PolarHBondContact N-O 3.16Å
402K65.4Low58.1Low197 Ų19788.1 Ų88.186%0.85747%0.47SS*.  trans-65.8114.2-178-90.2-175.4174.1-178.90112.3
403L62.1Low57.6Low63 Ų6387 Ų8733%0.3347%0.469SS..  trans-63.9138.4163.1-78.9160.5000111.1I399 G401 A407 I415 N417I399-L403 HydrophobicContact CD1-CD1 4.31Å; I399-L403 HydrophobicContact CD1-CD2 3.96Å; I399-L403 HydrophobicContact CD1-CG 4.44Å; G401-L403 PolarHBondContact O-N 2.92Å; G401-L403 VanDerWaalsContact O-N 3.15Å; L403-A407 HydrophobicContact CD2-CB 4.47Å; L403-I415 HydrophobicContact CD1-CG2 3.95Å; L403-N417 HydrophobicContact CD1-CB 3.95Å
404N60.8Low57.5Low114 Ų11489.2 Ų89.261%0.6147%0.473SS*.  trans-65.4132.5169.3180-14.2000109.4T406 A407N404-T406 PolarHBondContact ND2-OG1 3.45Å; N404-T406 VanDerWaalsContact ND2-OG1 3.15Å; N404-T406 PolarHBondContact O-N 3.07Å; N404-T406 PolarHBondContact OD1-N 3.06Å; N404-T406 PolarHBondContact OD1-OG1 2.7Å; N404-A407 WeakPolarHBondContact O-CB 3.49Å; N404-A407 PolarHBondContact O-N 2.93Å
405E56.5Low57.5Low182 Ų18283.3 Ų83.385%0.8545%0.454SS*.THydrogen-bonded Turntrans-56.8-17.7179.6-66.3-170.9173.500114
406T51.2Low57.7Low110 Ų11087.6 Ų87.668%0.67548%0.476SS*.THydrogen-bonded Turntrans-83.3-8.6175.136.20000115.1N404 K408N404-T406 PolarHBondContact ND2-OG1 3.45Å; N404-T406 VanDerWaalsContact ND2-OG1 3.15Å; N404-T406 PolarHBondContact O-N 3.07Å; N404-T406 PolarHBondContact OD1-N 3.06Å; N404-T406 PolarHBondContact OD1-OG1 2.7Å; T406-K408 PolarHBondContact O-N 3.15Å
407A51.9Low57.7Low55 Ų5589.3 Ų89.346%0.45549%0.486SS..  trans-75.866.5177.300000111.5L403 N404L403-A407 HydrophobicContact CD2-CB 4.47Å; N404-A407 WeakPolarHBondContact O-CB 3.49Å; N404-A407 PolarHBondContact O-N 2.93Å
408K45.8Very low57.8Low184 Ų18490.3 Ų90.380%0.849%0.491SS*.  trans-81-12.4-167.3-80.6-167.8173.7-173.70116.8T406T406-K408 PolarHBondContact O-N 3.15Å
409K43.4Very low57.3Low205 Ų20592.2 Ų92.289%0.89151%0.509SS*.  trans-156.8103.3176.5-71.2-171.3175.7176.10111.5
410I45.7Very low57.1Low73 Ų7394 Ų9437%0.37452%0.523SS..SBendtrans-95.192.9162.9-52.4-178.1000107.1L397 G412 S413 I415L397-I410 HydrophobicContact CD2-CD1 4.22Å; L397-I410 HydrophobicContact CD2-CG2 4.38Å; I410-G412 VanDerWaalsContact C-N 3.31Å; I410-G412 PolarHBondContact O-N 3.42Å; I410-S413 PolarHBondContact O-N 3.15Å; I410-S413 VanDerWaalsContact O-N 3.12Å; I410-I415 HydrophobicContact CB-CD1 4.12Å; I410-I415 HydrophobicContact CD1-CD1 3.88Å; I410-I415 HydrophobicContact CG1-CD1 4.08Å
411A46.6Very low56.6Low93 Ų9399.3 Ų99.377%0.76955%0.552SS**THydrogen-bonded Turntrans3845.5158.600000117.7S413A411-S413 PolarHBondContact O-N 3.33Å; A411-S413 VanDerWaalsContact O-N 3.1Å
412G46Very low55.8Low77 Ų77105.1 Ų105.179%0.79457%0.573SS**THydrogen-bonded Turntrans67.28.9174.200000116.3I410I410-G412 VanDerWaalsContact C-N 3.31Å; I410-G412 PolarHBondContact O-N 3.42Å
413S51Low55Low40 Ų4099.5 Ų99.528%0.2857%0.571SS.*PPolyproline II helixtrans-82.2141.5177.3-59.10000111.6I410 A411 I415I410-S413 PolarHBondContact O-N 3.15Å; I410-S413 VanDerWaalsContact O-N 3.12Å; A411-S413 PolarHBondContact O-N 3.33Å; A411-S413 VanDerWaalsContact O-N 3.1Å; S413-I415 PolarHBondContact O-N 3.07Å
414I56.3Low54.7Low77 Ų77103.4 Ų103.440%0.39559%0.592SS.*EExtended strand (participates in β ladder)trans-72.9120.3169.3-62175.2000107.8L397L397-I414 PolarHBondContact N-O 2.84Å
415I60.7Low54.7Low58 Ų58101.2 Ų101.230%0.29760%0.596SS.*EExtended strand (participates in β ladder)trans-102.2123.3-179.5-55.2175.2000109.8L397 I399 L403 I410 S413L397-I415 HydrophobicContact CB-CG1 4.49Å; L397-I415 HydrophobicContact CD2-CG1 4.42Å; L397-I415 CarbonylContact O-C 3.56Å; L397-I415 VanDerWaalsContact O-CA 3.29Å; L397-I415 WeakPolarHBondContact O-CA 3.5Å; I399-I415 HydrophobicContact CD1-CG2 3.75Å; I399-I415 HydrophobicContact CG1-CG2 4.1Å; L403-I415 HydrophobicContact CD1-CG2 3.95Å; I410-I415 HydrophobicContact CB-CD1 4.12Å; I410-I415 HydrophobicContact CD1-CD1 3.88Å; I410-I415 HydrophobicContact CG1-CD1 4.08Å; S413-I415 PolarHBondContact O-N 3.07Å
416L62.1Low55Low92 Ų9294.5 Ų94.548%0.48257%0.569SS.*EExtended strand (participates in β ladder)trans-99.8106.6166.7-75.1177.2000108.7I396 L397 Y398 I399I396-L416 HydrophobicContact CG2-CB 4.19Å; I396-L416 HydrophobicContact CG2-CD1 3.68Å; I396-L416 HydrophobicContact CG2-CG 3.73Å; L397-L416 PolarHBondContact O-N 3.38Å; Y398-L416 CarbonylContact C-O 3.57Å; Y398-L416 WeakPolarHBondContact CA-O 3.32Å; Y398-L416 HydrophobicContact CD2-CB 3.86Å; I399-L416 PolarHBondContact N-O 2.85Å
417N65.3Low55.7Low63 Ų6392.5 Ų92.534%0.33756%0.564SS.*EExtended strand (participates in β ladder)trans-94107176.9179.51.7000110.6I399 G401 L403I399-N417 CarbonylContact O-C 3.53Å; I399-N417 WeakPolarHBondContact O-CA 3.31Å; G401-N417 PolarHBondContact O-OD1 3.04Å; L403-N417 HydrophobicContact CD1-CB 3.95Å
418D65.8Low56.3Low47 Ų4793.9 Ų93.925%0.25156%0.561SS.*EExtended strand (participates in β ladder)trans-84.9110.6170.2-173.4-13.3000109.9Y398 I399 K400 G401 S420Y398-D418 HydrophobicContact CE2-CB 3.8Å; Y398-D418 PolarHBondContact OH-OD2 2.69Å; I399-D418 PolarHBondContact O-N 2.84Å; K400-D418 WeakPolarHBondContact CA-O 3.46Å; K400-D418 HydrophobicContact CG-CB 4.06Å; G401-D418 PolarHBondContact N-O 3.16Å; D418-S420 VanDerWaalsContact CG-OG 3.29Å; D418-S420 WeakPolarHBondContact OD1-CB 3.49Å; D418-S420 PolarHBondContact OD1-N 3.39Å; D418-S420 PolarHBondContact OD1-OG 3.19Å; D418-S420 PolarHBondContact OD2-OG 2.81Å
419T63.4Low57.2Low94 Ų9490.3 Ų90.358%0.57755%0.546SS*.  trans-95.512.5-178.256.40000113.4
420S64Low58.1Low60 Ų6085.6 Ų85.642%0.4253%0.525SS..  trans-58.3148.9173.759.70000111.8D418 E422D418-S420 VanDerWaalsContact CG-OG 3.29Å; D418-S420 WeakPolarHBondContact OD1-CB 3.49Å; D418-S420 PolarHBondContact OD1-N 3.39Å; D418-S420 PolarHBondContact OD1-OG 3.19Å; D418-S420 PolarHBondContact OD2-OG 2.81Å; S420-E422 PolarHBondContact O-N 3.39Å
421I57.1Low59Low176 Ų17687.4 Ų87.490%0.90354%0.54SS*.SBendtrans-70.95.4-163.4-81.8169.8000114.8G423I421-G423 PolarHBondContact O-N 3.34Å
422E50.3Low59.7Low148 Ų14885.3 Ų85.369%0.69252%0.519SS*.  trans-74.6112.7-174.4-64.5-170.5168.400111.9S420 N424S420-E422 PolarHBondContact O-N 3.39Å; E422-N424 PolarHBondContact O-N 2.94Å
423G49.6Very low60.6Low79 Ų7985.6 Ų85.681%0.81451%0.506SS*.SBendtrans-68.214.8-160.100000118.8I421I421-G423 PolarHBondContact O-N 3.34Å
424N55.2Low61.4Low145 Ų14588.1 Ų88.178%0.77552%0.524SS*.  trans-118.297175-73.2-13.2000109.2E422 S426E422-N424 PolarHBondContact O-N 2.94Å; N424-S426 PolarHBondContact O-N 2.85Å
425G59.9Low62.2Low67 Ų6786.5 Ų86.569%0.69152%0.518SS*.  trans-63.3125.1176.900000111K400K400-G425 CarbonylContact O-C 3.55Å; K400-G425 WeakPolarHBondContact O-CA 3.34Å
426S63.3Low63Low41 Ų4187.9 Ų87.929%0.28752%0.523SS..EExtended strand (participates in β ladder)trans-127.2153.6176.972.60000110.5I399 K400 N424I399-S426 CarbonylContact C-O 3.46Å; I399-S426 WeakPolarHBondContact CA-O 3.36Å; K400-S426 PolarHBondContact N-O 3.16Å; K400-S426 PolarHBondContact O-N 3.08Å; N424-S426 PolarHBondContact O-N 2.85Å
427A65.4Low63.7Low68 Ų6889.4 Ų89.456%0.56253%0.532SS*.EExtended strand (participates in β ladder)trans-130.2123.5171.600000108.6Y398 I399Y398-A427 CarbonylContact O-C 3.56Å; Y398-A427 WeakPolarHBondContact O-CA 3.5Å; I399-A427 HydrophobicContact CG1-CB 4.07Å
428E65.5Low64.4Low84 Ų8488.9 Ų88.939%0.39353%0.528SS..EExtended strand (participates in β ladder)trans-125.2126.8-179.6-69178.3-159.400109.3Y398 K430Y398-E428 PolarHBondContact N-O 2.89Å; Y398-E428 PolarHBondContact O-N 2.89Å; E428-K430 PolarHBondContact O-N 3.32Å; E428-K430 VanDerWaalsContact OE2-CE 3.25Å; E428-K430 WeakPolarHBondContact OE2-CE 3.38Å; E428-K430 IonicContact OE2-NZ 2.79Å; E428-K430 PolarHBondContact OE2-NZ 2.98Å
429F64.3Low65.2Low109 Ų10990.1 Ų90.148%0.47853%0.534SS..EExtended strand (participates in β ladder)trans-84.8104.3169.2-161-95.3000108.6W394 I396 L397 T431W394-F429 WeakPolarHBondContact O-CZ 3.31Å; I396-F429 CarbonylContact O-C 3.49Å; L397-F429 HydrophobicContact CB-CD2 4.09Å; L397-F429 HydrophobicContact CB-CE2 4.5Å; L397-F429 HydrophobicContact CD1-CB 4.44Å; L397-F429 HydrophobicContact CD1-CD2 4.14Å; F429-T431 PolarHBondContact O-N 2.84Å
430K63.4Low66.2Low107 Ų10790.6 Ų90.647%0.46553%0.53SS..EExtended strand (participates in β ladder)trans-76.6110.9174.4-65-69.8175.8-165.90108.3G395 I396 E428G395-K430 CarbonylContact C-O 3.55Å; G395-K430 VanDerWaalsContact CA-O 3.26Å; G395-K430 WeakPolarHBondContact CA-O 3.21Å; I396-K430 HydrophobicContact CB-CB 4.43Å; I396-K430 PolarHBondContact N-O 2.86Å; I396-K430 PolarHBondContact O-N 3.28Å; E428-K430 PolarHBondContact O-N 3.32Å; E428-K430 VanDerWaalsContact OE2-CE 3.25Å; E428-K430 WeakPolarHBondContact OE2-CE 3.38Å; E428-K430 IonicContact OE2-NZ 2.79Å; E428-K430 PolarHBondContact OE2-NZ 2.98Å
431T63.7Low67.4Low111 Ų11192.1 Ų92.168%0.68153%0.529SS*.PPolyproline II helixtrans-63.4152.2172.738.50000110.9F429F429-T431 PolarHBondContact O-N 2.84Å
432P62.3Low68.8Low49 Ų4984.5 Ų84.532%0.31849%0.49SS..PPolyproline II helixtrans-56.3146.3173.5-16.927.1000110.9H392 G393H392-P432 VanDerWaalsContact O-CB 3.3Å; H392-P432 WeakPolarHBondContact O-CB 3.21Å; H392-P432 WeakPolarHBondContact O-CG 3.32Å; G393-P432 WeakPolarHBondContact O-CG 3.5Å
433P63.5Low70.6Confident83 Ų8382 Ų8254%0.53948%0.478SS..PPolyproline II helixtrans-55.4143.9165.8-17.628.8000110.5
434S69.4Low72.5Confident92 Ų9280.7 Ų80.764%0.64346%0.456SS*.PPolyproline II helixtrans-61.8128.4173.6177.60000109.9Q436S434-Q436 PolarHBondContact O-N 2.72Å; S434-Q436 WeakPolarHBondContact OG-CB 3Å; S434-Q436 PolarHBondContact OG-N 3.17Å
435P72.3Confident74.2Confident43 Ų4374.1 Ų74.128%0.27942%0.421SS..SBendtrans-73.7-7.7177.928.6-33000113.6F385 N437 M438 I439F385-P435 HydrophobicContact CE2-CB 3.54Å; F385-P435 HydrophobicContact CZ-CB 3.57Å; P435-N437 PolarHBondContact O-N 2.88Å; P435-M438 WeakPolarHBondContact O-CB 3.38Å; P435-M438 PolarHBondContact O-N 3.32Å; P435-M438 VanDerWaalsContact O-N 3.11Å; P435-I439 HydrophobicContact CB-CD1 4.11Å; P435-I439 HydrophobicContact CG-CD1 4.34Å; P435-I439 WeakPolarHBondContact O-CG1 3.12Å; P435-I439 PolarHBondContact O-N 3.12Å; P435-I439 VanDerWaalsContact O-N 3.1Å
436Q77.3Confident75.7Confident87 Ų8772.7 Ų72.741%0.40740%0.398SS..Hα-helixtrans-56.5-49.6-165.6-172.260.427.500113.5S434 M438 I439 E440S434-Q436 PolarHBondContact O-N 2.72Å; S434-Q436 WeakPolarHBondContact OG-CB 3Å; S434-Q436 PolarHBondContact OG-N 3.17Å; Q436-M438 PolarHBondContact O-N 2.97Å; Q436-I439 WeakPolarHBondContact O-CB 3.29Å; Q436-I439 PolarHBondContact O-N 3.17Å; Q436-E440 VanDerWaalsContact CG-OE1 3.32Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.49Å; Q436-E440 PolarHBondContact NE2-OE1 2.83Å; Q436-E440 PolarHBondContact O-N 3.43Å
437N76.5Confident77Confident124 Ų12474 Ų7466%0.66340%0.401SS*.Hα-helixtrans-61.2-33.6-179.2-63.49.2000112.6P435 F441P435-N437 PolarHBondContact O-N 2.88Å; N437-F441 WeakPolarHBondContact O-CB 3.45Å; N437-F441 PolarHBondContact O-N 2.79Å
438M80.1Confident78.2Confident52 Ų5276 Ų7626%0.25640%0.399SS..Hα-helixtrans-72-37.6176.5-71.2-71-72.100111.3I381 F385 P435 Q436 M442I381-M438 HydrophobicContact CG2-CE 3.76Å; F385-M438 HydrophobicContact CB-CE 4.07Å; F385-M438 HydrophobicContact CD2-CB 3.65Å; F385-M438 HydrophobicContact CD2-CE 4.32Å; F385-M438 HydrophobicContact CD2-CG 4.1Å; F385-M438 HydrophobicContact CE2-CB 3.84Å; F385-M438 HydrophobicContact CE2-CG 4.49Å; P435-M438 WeakPolarHBondContact O-CB 3.38Å; P435-M438 PolarHBondContact O-N 3.32Å; P435-M438 VanDerWaalsContact O-N 3.11Å; Q436-M438 PolarHBondContact O-N 2.97Å; M438-M442 WeakPolarHBondContact O-CB 3.46Å; M438-M442 WeakPolarHBondContact O-CG 3.33Å; M438-M442 PolarHBondContact O-N 2.84Å
439I83.5Confident79.5Confident73 Ų7372 Ų7237%0.37438%0.381SS..Hα-helixtrans-64.4-45.2175.1-65.6169000110.2F385 P435 Q436 M442 Q443F385-I439 HydrophobicContact CZ-CD1 4.45Å; F385-I439 HydrophobicContact CZ-CG1 4.09Å; P435-I439 HydrophobicContact CB-CD1 4.11Å; P435-I439 HydrophobicContact CG-CD1 4.34Å; P435-I439 WeakPolarHBondContact O-CG1 3.12Å; P435-I439 PolarHBondContact O-N 3.12Å; P435-I439 VanDerWaalsContact O-N 3.1Å; Q436-I439 WeakPolarHBondContact O-CB 3.29Å; Q436-I439 PolarHBondContact O-N 3.17Å; I439-M442 HydrophobicContact CG1-CE 4.42Å; I439-M442 PolarHBondContact O-N 2.87Å; I439-Q443 PolarHBondContact O-N 3.21Å
440E83.9Confident80.8Confident105 Ų10568.3 Ų68.349%0.49137%0.365SS..Hα-helixtrans-63.4-42.5177.4-72.9170-173.100112Q436 Q443 S444Q436-E440 VanDerWaalsContact CG-OE1 3.32Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.49Å; Q436-E440 PolarHBondContact NE2-OE1 2.83Å; Q436-E440 PolarHBondContact O-N 3.43Å; E440-Q443 PolarHBondContact O-N 3.27Å; E440-S444 PolarHBondContact O-N 2.8Å
441F89Confident82.1Confident91 Ų9168.3 Ų68.340%0.39937%0.369SS..Hα-helixtrans-63.8-43.5175.1-175.8-122.5000112.2I381 N437 Q443 S444 I445I381-F441 HydrophobicContact CD1-CE1 4.1Å; I381-F441 HydrophobicContact CG1-CE1 4.04Å; I381-F441 HydrophobicContact CG2-CD1 4.27Å; N437-F441 WeakPolarHBondContact O-CB 3.45Å; N437-F441 PolarHBondContact O-N 2.79Å; F441-Q443 VanDerWaalsContact C-N 3.31Å; F441-Q443 PolarHBondContact O-N 2.69Å; F441-S444 PolarHBondContact O-N 2.8Å; F441-S444 PolarHBondContact O-OG 3.11Å; F441-I445 HydrophobicContact CD1-CD1 4.05Å; F441-I445 HydrophobicContact CE1-CD1 3.72Å; F441-I445 HydrophobicContact CE2-CD1 4.45Å; F441-I445 HydrophobicContact CE2-CG1 4.47Å; F441-I445 HydrophobicContact CZ-CD1 3.94Å; F441-I445 HydrophobicContact CZ-CG1 4.36Å; F441-I445 WeakPolarHBondContact O-CG1 3.43Å; F441-I445 PolarHBondContact O-N 2.81Å; F441-I445 VanDerWaalsContact O-N 3.08Å
442M86.7Confident83.3Confident17 Ų1764.6 Ų64.68%0.08435%0.349CS..Hα-helixtrans-60.8-39.5174.1-76.5-169.8-59.400112.2F378 I381 Y382 F385 M438 I439 I445 L446F378-M442 HydrophobicContact CD2-CB 4.45Å; F378-M442 HydrophobicContact CE2-CB 3.81Å; F378-M442 HydrophobicContact CE2-CG 4.19Å; F378-M442 WeakPolarHBondContact CE2-O 3.48Å; F378-M442 HydrophobicContact CZ-CB 4.49Å; F378-M442 HydrophobicContact CZ-SD 4.49Å; I381-M442 HydrophobicContact CG2-CG 3.74Å; I381-M442 HydrophobicContact CG2-SD 4.32Å; Y382-M442 HydrophobicContact CD2-SD 3.94Å; F385-M442 HydrophobicContact CD1-CE 3.83Å; F385-M442 HydrophobicContact CE1-CE 4.1Å; F385-M442 HydrophobicContact CG-CE 4.26Å; M438-M442 WeakPolarHBondContact O-CB 3.46Å; M438-M442 WeakPolarHBondContact O-CG 3.33Å; M438-M442 PolarHBondContact O-N 2.84Å; I439-M442 HydrophobicContact CG1-CE 4.42Å; I439-M442 PolarHBondContact O-N 2.87Å; M442-I445 PolarHBondContact O-N 2.7Å; M442-L446 PolarHBondContact O-N 2.74Å; M442-L446 VanDerWaalsContact O-N 3.12Å
443Q88.1Confident84.7Confident95 Ų9562.5 Ų62.544%0.44434%0.335SS..Hα-helixtrans-63-43.5174.5-172.16046.600111.3I439 E440 F441 I445 L446 D447I439-Q443 PolarHBondContact O-N 3.21Å; E440-Q443 PolarHBondContact O-N 3.27Å; F441-Q443 VanDerWaalsContact C-N 3.31Å; F441-Q443 PolarHBondContact O-N 2.69Å; Q443-I445 VanDerWaalsContact C-N 3.27Å; Q443-I445 PolarHBondContact O-N 3.33Å; Q443-L446 WeakPolarHBondContact O-CB 3.27Å; Q443-L446 PolarHBondContact O-N 3.05Å; Q443-D447 PolarHBondContact NE2-OD1 2.85Å; Q443-D447 VanDerWaalsContact O-CG 3.31Å; Q443-D447 PolarHBondContact O-N 3.17Å
444S89.7Confident85.8Confident51 Ų5159 Ų5936%0.35732%0.315SS..Hα-helixtrans-60.2-35.5177.177.60000113E440 F441 D447 Q448E440-S444 PolarHBondContact O-N 2.8Å; F441-S444 PolarHBondContact O-N 2.8Å; F441-S444 PolarHBondContact O-OG 3.11Å; S444-D447 PolarHBondContact O-N 3.24Å; S444-Q448 WeakPolarHBondContact O-CG 3.42Å; S444-Q448 PolarHBondContact O-N 2.52Å; S444-Q448 VanDerWaalsContact O-N 3.09Å
445I91.4Very high86.7Confident7 Ų754.7 Ų54.74%0.03629%0.285CS..Hα-helixtrans-68.1-41.5174.8-63.3164.4000110.7L374 L377 F378 F441 M442 Q443 D447 Q448 L449L374-I445 HydrophobicContact CB-CG2 4.29Å; L374-I445 WeakPolarHBondContact O-CG2 3.18Å; L377-I445 HydrophobicContact CD2-CD1 4.06Å; L377-I445 HydrophobicContact CD2-CG1 4.36Å; L377-I445 HydrophobicContact CG-CD1 4.01Å; F378-I445 HydrophobicContact CB-CG2 3.86Å; F378-I445 HydrophobicContact CD2-CB 4.15Å; F378-I445 HydrophobicContact CD2-CG2 4.02Å; F378-I445 HydrophobicContact CG-CG2 4.44Å; F441-I445 HydrophobicContact CD1-CD1 4.05Å; F441-I445 HydrophobicContact CE1-CD1 3.72Å; F441-I445 HydrophobicContact CE2-CD1 4.45Å; F441-I445 HydrophobicContact CE2-CG1 4.47Å; F441-I445 HydrophobicContact CZ-CD1 3.94Å; F441-I445 HydrophobicContact CZ-CG1 4.36Å; F441-I445 WeakPolarHBondContact O-CG1 3.43Å; F441-I445 PolarHBondContact O-N 2.81Å; F441-I445 VanDerWaalsContact O-N 3.08Å; M442-I445 PolarHBondContact O-N 2.7Å; Q443-I445 VanDerWaalsContact C-N 3.27Å; Q443-I445 PolarHBondContact O-N 3.33Å; I445-D447 VanDerWaalsContact C-N 3.33Å; I445-D447 PolarHBondContact O-N 3.32Å; I445-Q448 PolarHBondContact O-N 2.9Å; I445-L449 VanDerWaalsContact O-CB 3.31Å; I445-L449 WeakPolarHBondContact O-CB 3.44Å; I445-L449 PolarHBondContact O-N 3.34Å
446L90.6Very high87.4Confident38 Ų3853.1 Ų53.120%0.19928%0.275CS..Hα-helixtrans-62-40.4175.8-72.2171.7000111.8M202 F378 M442 Q443 L449 Q450M202-L446 HydrophobicContact CE-CD2 3.49Å; M202-L446 VanDerWaalsContact CE-CD2 3.49Å; M202-L446 HydrophobicContact SD-CD2 4.49Å; F378-L446 HydrophobicContact CD2-CD2 4.22Å; F378-L446 HydrophobicContact CD2-CG 4.12Å; F378-L446 HydrophobicContact CE2-CD1 3.91Å; F378-L446 HydrophobicContact CE2-CD2 3.88Å; F378-L446 HydrophobicContact CE2-CG 3.59Å; F378-L446 HydrophobicContact CZ-CD1 4.25Å; F378-L446 HydrophobicContact CZ-CD2 4.25Å; F378-L446 HydrophobicContact CZ-CG 4.26Å; M442-L446 PolarHBondContact O-N 2.74Å; M442-L446 VanDerWaalsContact O-N 3.12Å; Q443-L446 WeakPolarHBondContact O-CB 3.27Å; Q443-L446 PolarHBondContact O-N 3.05Å; L446-L449 WeakPolarHBondContact O-CB 3.38Å; L446-L449 PolarHBondContact O-N 3.37Å; L446-Q450 WeakPolarHBondContact O-CG 3.17Å; L446-Q450 PolarHBondContact O-N 3.19Å
447D89.9Confident87.6Confident68 Ų6851.6 Ų51.636%0.36427%0.266SS..Hα-helixtrans-65.6-44.9178.4-61-18.7000111.2Q443 S444 I445 L449 Q450 I451Q443-D447 PolarHBondContact NE2-OD1 2.85Å; Q443-D447 VanDerWaalsContact O-CG 3.31Å; Q443-D447 PolarHBondContact O-N 3.17Å; S444-D447 PolarHBondContact O-N 3.24Å; I445-D447 VanDerWaalsContact C-N 3.33Å; I445-D447 PolarHBondContact O-N 3.32Å; D447-L449 VanDerWaalsContact C-N 3.3Å; D447-L449 PolarHBondContact O-N 3.02Å; D447-Q450 PolarHBondContact O-N 3.13Å; D447-Q450 PolarHBondContact OD1-NE2 3.25Å; D447-I451 WeakPolarHBondContact O-CG1 3.37Å; D447-I451 PolarHBondContact O-N 3.41Å
448Q91.8Very high87.4Confident110 Ų11048.2 Ų48.251%0.51425%0.248SC..Hα-helixtrans-63.2-35.9173.8-68.4-63.9-36.400112.4L374 S444 I445 I451 A452L374-Q448 HydrophobicContact CD1-CB 3.89Å; L374-Q448 HydrophobicContact CD2-CB 4.4Å; S444-Q448 WeakPolarHBondContact O-CG 3.42Å; S444-Q448 PolarHBondContact O-N 2.52Å; S444-Q448 VanDerWaalsContact O-N 3.09Å; I445-Q448 PolarHBondContact O-N 2.9Å; Q448-I451 PolarHBondContact O-N 3.25Å; Q448-A452 WeakPolarHBondContact O-CB 3.12Å; Q448-A452 PolarHBondContact O-N 2.99Å
449L93.1Very high86.9Confident1 Ų150 Ų501%0.00526%0.258CS..Hα-helixtrans-65.3-40.5176.517962.6000111.6M202 I206 L374 I375 I445 L446 D447 I451 A452 T453 F457M202-L449 HydrophobicContact SD-CD2 3.57Å; M202-L449 VanDerWaalsContact SD-CD2 3.57Å; I206-L449 HydrophobicContact CD1-CD1 4.4Å; L374-L449 HydrophobicContact CB-CD1 4.31Å; L374-L449 HydrophobicContact CD1-CB 4.42Å; I375-L449 HydrophobicContact CD1-CD1 4.13Å; I375-L449 HydrophobicContact CG1-CD1 3.67Å; I375-L449 HydrophobicContact CG1-CD2 3.87Å; I375-L449 HydrophobicContact CG1-CG 4.45Å; I445-L449 VanDerWaalsContact O-CB 3.31Å; I445-L449 WeakPolarHBondContact O-CB 3.44Å; I445-L449 PolarHBondContact O-N 3.34Å; L446-L449 WeakPolarHBondContact O-CB 3.38Å; L446-L449 PolarHBondContact O-N 3.37Å; D447-L449 VanDerWaalsContact C-N 3.3Å; D447-L449 PolarHBondContact O-N 3.02Å; L449-I451 VanDerWaalsContact C-N 3.32Å; L449-I451 PolarHBondContact O-N 2.96Å; L449-A452 PolarHBondContact O-N 3.49Å; L449-T453 HydrophobicContact CD1-CG2 3.77Å; L449-T453 WeakPolarHBondContact O-CB 3.47Å; L449-T453 WeakPolarHBondContact O-CG2 3.27Å; L449-T453 PolarHBondContact O-N 3.02Å; L449-T453 PolarHBondContact O-OG1 3.16Å; L449-F457 HydrophobicContact CD2-CE2 3.89Å; L449-F457 HydrophobicContact CD2-CZ 4.17Å; L449-F457 HydrophobicContact CG-CE2 4.08Å; L449-F457 HydrophobicContact CG-CZ 4.5Å
450Q90.7Very high86.1Confident31 Ų3152 Ų5215%0.14528%0.276CS..Hα-helixtrans-60.7-43.4176.2-69.5176.892.900111.3L446 D447 G454 C455 F457L446-Q450 WeakPolarHBondContact O-CG 3.17Å; L446-Q450 PolarHBondContact O-N 3.19Å; D447-Q450 PolarHBondContact O-N 3.13Å; D447-Q450 PolarHBondContact OD1-NE2 3.25Å; Q450-G454 WeakPolarHBondContact O-CA 3.14Å; Q450-G454 PolarHBondContact O-N 2.87Å; Q450-C455 WeakPolarHBondContact CA-O 3.43Å; Q450-C455 WeakPolarHBondContact CB-O 3.36Å; Q450-C455 VanDerWaalsContact CG-O 3.23Å; Q450-C455 WeakPolarHBondContact CG-O 3.46Å; Q450-C455 PolarHBondContact O-N 3.18Å; Q450-C455 VanDerWaalsContact O-N 3.09Å; Q450-F457 HydrophobicContact CG-CD2 3.33Å; Q450-F457 HydrophobicContact CG-CE2 3.79Å; Q450-F457 HydrophobicContact CG-CG 4.22Å
451I89.6Confident85.1Confident106 Ų10654.7 Ų54.754%0.54429%0.286SS..Hα-helixtrans-65.8-51.9177.6-63.9166.9000110.8D447 Q448 L449 T453 G454D447-I451 WeakPolarHBondContact O-CG1 3.37Å; D447-I451 PolarHBondContact O-N 3.41Å; Q448-I451 PolarHBondContact O-N 3.25Å; L449-I451 VanDerWaalsContact C-N 3.32Å; L449-I451 PolarHBondContact O-N 2.96Å; I451-T453 PolarHBondContact O-N 2.67Å; I451-G454 PolarHBondContact O-N 2.82Å
452A89.4Confident83.9Confident33 Ų3354.6 Ų54.627%0.27329%0.29SS..Hα-helixtrans-61.7-31.1-176.200000112.8N370 L374 Q448 L449N370-A452 VanDerWaalsContact CB-O 3.26Å; N370-A452 WeakPolarHBondContact CB-O 3.26Å; L374-A452 HydrophobicContact CD1-CB 4.06Å; Q448-A452 WeakPolarHBondContact O-CB 3.12Å; Q448-A452 PolarHBondContact O-N 2.99Å; L449-A452 PolarHBondContact O-N 3.49Å
453T91.4Very high82.7Confident5 Ų557.5 Ų57.53%0.03130%0.304CS..Hα-helixtrans-100.9-8.3-178.763.20000113.6I206 K210 L449 I451 C455I206-T453 HydrophobicContact CD1-CG2 4.05Å; K210-T453 WeakPolarHBondContact CE-O 3.47Å; K210-T453 PolarHBondContact NZ-O 3.25Å; L449-T453 HydrophobicContact CD1-CG2 3.77Å; L449-T453 WeakPolarHBondContact O-CB 3.47Å; L449-T453 WeakPolarHBondContact O-CG2 3.27Å; L449-T453 PolarHBondContact O-N 3.02Å; L449-T453 PolarHBondContact O-OG1 3.16Å; I451-T453 PolarHBondContact O-N 2.67Å; T453-C455 VanDerWaalsContact C-N 3.31Å; T453-C455 PolarHBondContact O-N 3.26Å
454G87.8Confident81.3Confident11 Ų1161.5 Ų61.511%0.11332%0.321CS..THydrogen-bonded Turntrans61.238.2-174.800000112.8Q450 I451Q450-G454 WeakPolarHBondContact O-CA 3.14Å; Q450-G454 PolarHBondContact O-N 2.87Å; I451-G454 PolarHBondContact O-N 2.82Å
455C88.4Confident79.5Confident0 Ų064.5 Ų64.50%034%0.341CS..  trans-138.6126.6-173.3179.20000110.5I206 Q450 T453I206-C455 HydrophobicContact CG2-CB 4.41Å; Q450-C455 WeakPolarHBondContact CA-O 3.43Å; Q450-C455 WeakPolarHBondContact CB-O 3.36Å; Q450-C455 VanDerWaalsContact CG-O 3.23Å; Q450-C455 WeakPolarHBondContact CG-O 3.46Å; Q450-C455 PolarHBondContact O-N 3.18Å; Q450-C455 VanDerWaalsContact O-N 3.09Å; T453-C455 VanDerWaalsContact C-N 3.31Å; T453-C455 PolarHBondContact O-N 3.26Å
456T86.7Confident77.7Confident11 Ų1170.1 Ų70.17%0.06738%0.381CS..  trans-95.7135.5-174.8-40.80000111.6K209 I458 T477 D481K209-T456 PolarHBondContact NZ-O 2.94Å; T456-I458 HydrophobicContact CG2-CD1 4.12Å; T456-I458 HydrophobicContact CG2-CG1 3.74Å; T456-T477 WeakPolarHBondContact CG2-O 3.31Å; T456-D481 VanDerWaalsContact CB-OD2 3.25Å; T456-D481 WeakPolarHBondContact CB-OD2 3.18Å; T456-D481 PolarHBondContact N-OD1 2.6Å; T456-D481 VanDerWaalsContact N-OD1 3.12Å; T456-D481 PolarHBondContact OG1-OD2 3.44Å
457F81.8Confident75.8Confident54 Ų5470.6 Ų70.624%0.23740%0.395CS..  trans-103.568.4177.8-60-63.1000113.2I206 L449 Q450I206-F457 HydrophobicContact CD1-CZ 4.29Å; I206-F457 HydrophobicContact CG1-CE1 4.22Å; I206-F457 HydrophobicContact CG1-CZ 3.85Å; L449-F457 HydrophobicContact CD2-CE2 3.89Å; L449-F457 HydrophobicContact CD2-CZ 4.17Å; L449-F457 HydrophobicContact CG-CE2 4.08Å; L449-F457 HydrophobicContact CG-CZ 4.5Å; Q450-F457 HydrophobicContact CG-CD2 3.33Å; Q450-F457 HydrophobicContact CG-CE2 3.79Å; Q450-F457 HydrophobicContact CG-CG 4.22Å
458I72Confident74.1Confident53 Ų5375.9 Ų75.927%0.27242%0.424SS..  trans-81.7129.6174.3-53.6172.1000111T456 I463 T477 R478T456-I458 HydrophobicContact CG2-CD1 4.12Å; T456-I458 HydrophobicContact CG2-CG1 3.74Å; I458-I463 HydrophobicContact CG2-CD1 4.11Å; I458-I463 HydrophobicContact CG2-CG1 4.04Å; I458-T477 HydrophobicContact CD1-CG2 3.5Å; I458-T477 HydrophobicContact CG1-CG2 4.14Å; I458-R478 HydrophobicContact CD1-CG 3.8Å
459L70.2Confident72.4Confident89 Ų8974.1 Ų74.147%0.46642%0.417SS..  trans-103.4154.3168-62.1170.5000111.1K461 D462L459-K461 HydrophobicContact CB-CG 3.95Å; L459-K461 PolarHBondContact O-N 3.39Å; L459-D462 WeakPolarHBondContact CA-OD2 3.33Å; L459-D462 VanDerWaalsContact CB-OD2 3.31Å; L459-D462 WeakPolarHBondContact CB-OD2 3.49Å; L459-D462 PolarHBondContact N-OD2 2.78Å; L459-D462 WeakPolarHBondContact O-CB 3.1Å; L459-D462 PolarHBondContact O-N 3.17Å
460P65Low70.8Confident115 Ų11577.4 Ų77.475%0.74744%0.44SS*.G310 helixtrans-55.5-27.4178-27.235000114.6D462 I463P460-D462 VanDerWaalsContact C-N 3.31Å; P460-D462 PolarHBondContact O-N 3.06Å; P460-I463 PolarHBondContact O-N 2.84Å
461K64.8Low69.4Low163 Ų16378.3 Ų78.371%0.70946%0.457SS*.G310 helixtrans-72.3-20.8176.963.2163.9-170.4171.80114.1L459L459-K461 HydrophobicContact CB-CG 3.95Å; L459-K461 PolarHBondContact O-N 3.39Å
462D63.8Low68.1Low89 Ų8979 Ų7948%0.47646%0.462SS..G310 helixtrans-81-12.1-178.4-51.9-37000110.8L459 P460L459-D462 WeakPolarHBondContact CA-OD2 3.33Å; L459-D462 VanDerWaalsContact CB-OD2 3.31Å; L459-D462 WeakPolarHBondContact CB-OD2 3.49Å; L459-D462 PolarHBondContact N-OD2 2.78Å; L459-D462 WeakPolarHBondContact O-CB 3.1Å; L459-D462 PolarHBondContact O-N 3.17Å; P460-D462 VanDerWaalsContact C-N 3.31Å; P460-D462 PolarHBondContact O-N 3.06Å
463I60.8Low66.9Low77 Ų7779.4 Ų79.440%0.39547%0.465SS..SBendtrans-93.798.7178.4-60.2-175.4000108.1I458 P460 S465 I469I458-I463 HydrophobicContact CG2-CD1 4.11Å; I458-I463 HydrophobicContact CG2-CG1 4.04Å; P460-I463 PolarHBondContact O-N 2.84Å; I463-S465 PolarHBondContact O-N 3.2Å; I463-I469 HydrophobicContact CB-CD1 4.36Å; I463-I469 HydrophobicContact CG2-CD1 3.01Å; I463-I469 HydrophobicContact CG2-CG1 4.49Å
464K58.9Low65.8Low180 Ų18082 Ų8278%0.78348%0.478SS*.  trans-76.5111.8179-66-164.2-177.4-177.50110.7S466K464-S466 PolarHBondContact O-N 2.75Å
465S52.4Low64.7Low114 Ų11485 Ų8580%0.79749%0.489SS*.  trans-78.429.1-174.750.20000115.5I463 G467I463-S465 PolarHBondContact O-N 3.2Å; S465-G467 PolarHBondContact O-N 2.94Å; S465-G467 VanDerWaalsContact O-N 3.08Å
466S52Low63.7Low125 Ų12592.1 Ų92.187%0.87452%0.524SS*.SBendtrans-77.617178.9570000114.3K464K464-S466 PolarHBondContact O-N 2.75Å
467G51.8Low63.1Low48 Ų4895.5 Ų95.550%0.49555%0.545SS..SBendtrans171.4165.1176.700000110.6S465 I469S465-G467 PolarHBondContact O-N 2.94Å; S465-G467 VanDerWaalsContact O-N 3.08Å; G467-I469 PolarHBondContact O-N 3.45Å
468D54.1Low62.8Low178 Ų17894.4 Ų94.495%0.95254%0.539SS*.PPolyproline II helixtrans-59.5123.2171.9-70.2-32.8000109.5
469I55.1Low63.2Low74 Ų7494.3 Ų94.338%0.37954%0.543SS..PPolyproline II helixtrans-87.2119.5-177-59.4176.2000107.3I463 G467 G471 A473 I474I463-I469 HydrophobicContact CB-CD1 4.36Å; I463-I469 HydrophobicContact CG2-CD1 3.01Å; I463-I469 HydrophobicContact CG2-CG1 4.49Å; G467-I469 PolarHBondContact O-N 3.45Å; I469-G471 PolarHBondContact O-N 3.35Å; I469-A473 HydrophobicContact CG2-CB 4.27Å; I469-I474 HydrophobicContact CG2-CD1 4.36Å; I469-I474 HydrophobicContact CG2-CG1 4.02Å
470S60.3Low63.8Low69 Ų6992.7 Ų92.748%0.48354%0.535SS..PPolyproline II helixtrans-60.8139.6-179.981.90000110.8L472 A473 I474S470-L472 PolarHBondContact O-N 2.89Å; S470-L472 VanDerWaalsContact O-N 3.13Å; S470-A473 WeakPolarHBondContact O-CB 3.33Å; S470-A473 PolarHBondContact O-N 3.01Å; S470-A473 PolarHBondContact OG-N 3.05Å; S470-I474 PolarHBondContact O-N 2.74Å
471G61.2Low64.8Low50 Ų5087.6 Ų87.652%0.51550%0.501SS..Hα-helixtrans-55.9-28.9174.900000113.1I469 I474 Q475I469-G471 PolarHBondContact O-N 3.35Å; G471-I474 PolarHBondContact O-N 3.08Å; G471-Q475 WeakPolarHBondContact O-CG 3.37Å; G471-Q475 PolarHBondContact O-N 3.1Å
472L62.6Low65.7Low121 Ų12182.4 Ų82.463%0.63448%0.481SS*.Hα-helixtrans-64.7-39.8174.7-71.2168.2000112.6S470 I474 Q475 M476S470-L472 PolarHBondContact O-N 2.89Å; S470-L472 VanDerWaalsContact O-N 3.13Å; L472-I474 VanDerWaalsContact C-N 3.31Å; L472-I474 PolarHBondContact O-N 3.13Å; L472-Q475 WeakPolarHBondContact O-CB 3.35Å; L472-Q475 PolarHBondContact O-N 3.21Å; L472-M476 WeakPolarHBondContact O-CG 3.34Å; L472-M476 PolarHBondContact O-N 3.41Å
473A65Low66.7Low41 Ų4183.6 Ų83.634%0.33948%0.483SS..Hα-helixtrans-64.5-38.1177.700000111.6I469 S470 T477I469-A473 HydrophobicContact CG2-CB 4.27Å; S470-A473 WeakPolarHBondContact O-CB 3.33Å; S470-A473 PolarHBondContact O-N 3.01Å; S470-A473 PolarHBondContact OG-N 3.05Å; A473-T477 PolarHBondContact O-N 3.19Å; A473-T477 VanDerWaalsContact O-N 3.14Å; A473-T477 PolarHBondContact O-OG1 3.08Å
474I68.2Low68Low60 Ų6083.5 Ų83.531%0.30848%0.481SS..Hα-helixtrans-65.9-40.9174.5-60.5176.6000110.5I469 S470 G471 L472 T477 R478 P538I469-I474 HydrophobicContact CG2-CD1 4.36Å; I469-I474 HydrophobicContact CG2-CG1 4.02Å; S470-I474 PolarHBondContact O-N 2.74Å; G471-I474 PolarHBondContact O-N 3.08Å; L472-I474 VanDerWaalsContact C-N 3.31Å; L472-I474 PolarHBondContact O-N 3.13Å; I474-T477 PolarHBondContact O-N 3.01Å; I474-R478 PolarHBondContact O-N 3.33Å; I474-P538 HydrophobicContact CG2-CG 4.14Å
475Q64.7Low69.5Low74 Ų7475.2 Ų75.235%0.34645%0.446SS..Hα-helixtrans-62.5-47.2176-77.5179-25.100112.5G471 L472 T477 R478 S479G471-Q475 WeakPolarHBondContact O-CG 3.37Å; G471-Q475 PolarHBondContact O-N 3.1Å; L472-Q475 WeakPolarHBondContact O-CB 3.35Å; L472-Q475 PolarHBondContact O-N 3.21Å; Q475-T477 VanDerWaalsContact C-N 3.31Å; Q475-T477 PolarHBondContact O-N 3.3Å; Q475-R478 CarbonylContact O-C 3.57Å; Q475-R478 PolarHBondContact O-N 3.46Å; Q475-R478 VanDerWaalsContact O-N 3.08Å; Q475-S479 PolarHBondContact O-N 3.39Å
476M66.7Low71.2Confident149 Ų14973.5 Ų73.573%0.73443%0.428SS*.Hα-helixtrans-61.6-39.6178.8-71.4-177.269.700112.3L472 R478 S479L472-M476 WeakPolarHBondContact O-CG 3.34Å; L472-M476 PolarHBondContact O-N 3.41Å; M476-R478 PolarHBondContact O-N 3.48Å; M476-S479 PolarHBondContact O-N 3.33Å; M476-S479 PolarHBondContact O-OG 2.89Å
477T73.7Confident73Confident82 Ų8272 Ų7250%0.50341%0.41SS..Hα-helixtrans-66-22.9177.9-47.70000112.1T456 I458 A473 I474 Q475T456-T477 WeakPolarHBondContact CG2-O 3.31Å; I458-T477 HydrophobicContact CD1-CG2 3.5Å; I458-T477 HydrophobicContact CG1-CG2 4.14Å; A473-T477 PolarHBondContact O-N 3.19Å; A473-T477 VanDerWaalsContact O-N 3.14Å; A473-T477 PolarHBondContact O-OG1 3.08Å; I474-T477 PolarHBondContact O-N 3.01Å; Q475-T477 VanDerWaalsContact C-N 3.31Å; Q475-T477 PolarHBondContact O-N 3.3Å
478R76Confident74.8Confident32 Ų3270.4 Ų70.412%0.12139%0.392CS..THydrogen-bonded Turntrans-109.719.3-179-65.4-16666.9-154.8-5.3114.1C213 I458 I474 Q475 M476 L480 D481 I482C213-R478 PolarHBondContact SG-NH2 2.81Å; I458-R478 HydrophobicContact CD1-CG 3.8Å; I474-R478 PolarHBondContact O-N 3.33Å; Q475-R478 CarbonylContact O-C 3.57Å; Q475-R478 PolarHBondContact O-N 3.46Å; Q475-R478 VanDerWaalsContact O-N 3.08Å; M476-R478 PolarHBondContact O-N 3.48Å; R478-L480 VanDerWaalsContact C-N 3.27Å; R478-L480 PolarHBondContact O-N 2.76Å; R478-D481 WeakPolarHBondContact CB-OD2 3.16Å; R478-D481 IonicContact CZ-OD2 3.37Å; R478-D481 IonicContact NE-OD2 3.08Å; R478-D481 PolarHBondContact NE-OD2 3.26Å; R478-D481 VanDerWaalsContact NE-OD2 3.09Å; R478-D481 IonicContact NH2-OD1 2.78Å; R478-D481 IonicContact NH2-OD2 3.76Å; R478-D481 WeakPolarHBondContact O-CB 3.17Å; R478-D481 PolarHBondContact O-N 2.83Å; R478-I482 PolarHBondContact O-N 2.93Å
479S79.6Confident76.5Confident51 Ų5162.5 Ų62.536%0.35735%0.352SS..Hα-helixtrans-50.7-45.2-179.843.10000112.8Q475 M476 D481 I482 E483Q475-S479 PolarHBondContact O-N 3.39Å; M476-S479 PolarHBondContact O-N 3.33Å; M476-S479 PolarHBondContact O-OG 2.89Å; S479-D481 VanDerWaalsContact C-N 3.32Å; S479-D481 PolarHBondContact O-N 3.34Å; S479-I482 PolarHBondContact O-N 3.36Å; S479-I482 VanDerWaalsContact O-N 3.12Å; S479-E483 WeakPolarHBondContact O-CG 3.45Å; S479-E483 PolarHBondContact O-N 2.86Å
480L83.7Confident78.1Confident54 Ų5465.1 Ų65.128%0.28337%0.365SS..Hα-helixtrans-56.8-41.2176.7-64.3177.5000113.1R478 I482 E484R478-L480 VanDerWaalsContact C-N 3.27Å; R478-L480 PolarHBondContact O-N 2.76Å; L480-I482 VanDerWaalsContact C-N 3.33Å; L480-I482 PolarHBondContact O-N 2.73Å; L480-E484 WeakPolarHBondContact O-CB 3.05Å; L480-E484 PolarHBondContact O-N 3.17Å
481D85.5Confident79.4Confident8 Ų867.9 Ų67.94%0.04337%0.371CS..Hα-helixtrans-66.6-37.2179.2-56.5-82.8000111.4T456 R478 S479 A485T456-D481 VanDerWaalsContact CB-OD2 3.25Å; T456-D481 WeakPolarHBondContact CB-OD2 3.18Å; T456-D481 PolarHBondContact N-OD1 2.6Å; T456-D481 VanDerWaalsContact N-OD1 3.12Å; T456-D481 PolarHBondContact OG1-OD2 3.44Å; R478-D481 WeakPolarHBondContact CB-OD2 3.16Å; R478-D481 IonicContact CZ-OD2 3.37Å; R478-D481 IonicContact NE-OD2 3.08Å; R478-D481 PolarHBondContact NE-OD2 3.26Å; R478-D481 VanDerWaalsContact NE-OD2 3.09Å; R478-D481 IonicContact NH2-OD1 2.78Å; R478-D481 IonicContact NH2-OD2 3.76Å; R478-D481 WeakPolarHBondContact O-CB 3.17Å; R478-D481 PolarHBondContact O-N 2.83Å; S479-D481 VanDerWaalsContact C-N 3.32Å; S479-D481 PolarHBondContact O-N 3.34Å; D481-A485 VanDerWaalsContact O-CB 3.3Å; D481-A485 WeakPolarHBondContact O-CB 3.35Å; D481-A485 PolarHBondContact O-N 2.68Å; D481-A485 VanDerWaalsContact O-N 3.11Å
482I83.9Confident80.9Confident54 Ų5465.7 Ų65.728%0.27735%0.347SS..Hα-helixtrans-74.9-44.6-176.4-64.2169.5000110.8R478 S479 L480 E484 A485 N486R478-I482 PolarHBondContact O-N 2.93Å; S479-I482 PolarHBondContact O-N 3.36Å; S479-I482 VanDerWaalsContact O-N 3.12Å; L480-I482 VanDerWaalsContact C-N 3.33Å; L480-I482 PolarHBondContact O-N 2.73Å; I482-E484 VanDerWaalsContact C-N 3.34Å; I482-E484 PolarHBondContact O-N 3.42Å; I482-A485 PolarHBondContact O-N 3.05Å; I482-N486 WeakPolarHBondContact O-CB 3.41Å; I482-N486 PolarHBondContact O-N 2.93Å; I482-N486 PolarHBondContact O-ND2 3.07Å
483E84.4Confident82.3Confident115 Ų11562.8 Ų62.854%0.53733%0.33SS..Hα-helixtrans-57.8-48177.2-73173.3-161.900111.1S479 N486 N487S479-E483 WeakPolarHBondContact O-CG 3.45Å; S479-E483 PolarHBondContact O-N 2.86Å; E483-N486 PolarHBondContact O-N 2.83Å; E483-N487 PolarHBondContact O-N 2.89Å; E483-N487 VanDerWaalsContact O-N 3.1Å; E483-N487 PolarHBondContact O-ND2 2.49Å
484E87.5Confident83.3Confident75 Ų7567.4 Ų67.435%0.3535%0.349SS..Hα-helixtrans-64.3-43.3177.8-179.369.4169.400112.1K210 L480 I482 N486 N487 A488K210-E484 HydrophobicContact CD-CG 4.35Å; K210-E484 IonicContact NZ-OE1 2.98Å; K210-E484 PolarHBondContact NZ-OE1 3.01Å; L480-E484 WeakPolarHBondContact O-CB 3.05Å; L480-E484 PolarHBondContact O-N 3.17Å; I482-E484 VanDerWaalsContact C-N 3.34Å; I482-E484 PolarHBondContact O-N 3.42Å; E484-N486 PolarHBondContact O-N 2.84Å; E484-N487 PolarHBondContact O-N 3.04Å; E484-A488 WeakPolarHBondContact O-CB 3.28Å; E484-A488 PolarHBondContact O-N 2.93Å
485A90.1Very high84.5Confident6 Ų664.9 Ų64.95%0.0534%0.336CS..Hα-helixtrans-65.7-36.9178.900000112.7C213 D481 I482 A488 A489 P535C213-A485 HydrophobicContact CB-CB 4.07Å; D481-A485 VanDerWaalsContact O-CB 3.3Å; D481-A485 WeakPolarHBondContact O-CB 3.35Å; D481-A485 PolarHBondContact O-N 2.68Å; D481-A485 VanDerWaalsContact O-N 3.11Å; I482-A485 PolarHBondContact O-N 3.05Å; A485-A488 PolarHBondContact O-N 3.43Å; A485-A489 WeakPolarHBondContact O-CB 3.26Å; A485-A489 PolarHBondContact O-N 3.37Å; A485-P535 HydrophobicContact CB-CB 4Å; A485-P535 HydrophobicContact CB-CG 4.33Å
486N89.7Confident85.9Confident78 Ų7861.4 Ų61.442%0.41732%0.319SS..Hα-helixtrans-65.4-44.1174.8-78.9-38.3000111.7I482 E483 E484 A489 I490 P535I482-N486 WeakPolarHBondContact O-CB 3.41Å; I482-N486 PolarHBondContact O-N 2.93Å; I482-N486 PolarHBondContact O-ND2 3.07Å; E483-N486 PolarHBondContact O-N 2.83Å; E484-N486 PolarHBondContact O-N 2.84Å; N486-A489 WeakPolarHBondContact O-CB 3.18Å; N486-A489 PolarHBondContact O-N 2.8Å; N486-I490 PolarHBondContact O-N 3.35Å; N486-P535 WeakPolarHBondContact OD1-CG 3.48Å
487N88.7Confident87Confident93 Ų9355.5 Ų55.550%0.49729%0.293SS..Hα-helixtrans-61.5-46.3174.5-72.4-24.8000111E483 E484 A489 I490 E491E483-N487 PolarHBondContact O-N 2.89Å; E483-N487 VanDerWaalsContact O-N 3.1Å; E483-N487 PolarHBondContact O-ND2 2.49Å; E484-N487 PolarHBondContact O-N 3.04Å; N487-A489 VanDerWaalsContact C-N 3.31Å; N487-A489 PolarHBondContact O-N 2.78Å; N487-I490 WeakPolarHBondContact O-CB 3.38Å; N487-I490 PolarHBondContact O-N 2.71Å; N487-I490 VanDerWaalsContact O-N 3.15Å; N487-E491 PolarHBondContact O-N 3.2Å
488A89.9Confident87.9Confident14 Ų1453.1 Ų53.112%0.11628%0.276CS..Hα-helixtrans-63.9-34.8178.800000112.6L214 E484 A485 I490 E491 W492L214-A488 HydrophobicContact CD1-CB 4.08Å; L214-A488 HydrophobicContact CD2-CB 3.86Å; L214-A488 HydrophobicContact CG-CB 4.49Å; E484-A488 WeakPolarHBondContact O-CB 3.28Å; E484-A488 PolarHBondContact O-N 2.93Å; A485-A488 PolarHBondContact O-N 3.43Å; A488-I490 VanDerWaalsContact C-N 3.27Å; A488-I490 PolarHBondContact O-N 3.25Å; A488-E491 PolarHBondContact O-N 3.31Å; A488-W492 WeakPolarHBondContact O-CB 3.47Å; A488-W492 VanDerWaalsContact O-CD1 3.23Å; A488-W492 PolarHBondContact O-N 2.84Å
489A89.9Confident88.8Confident12 Ų1251.6 Ų51.610%0.09927%0.27CS..Hα-helixtrans-58.5-39.9174.500000112L214 A485 N486 N487 Q493 F533L214-A489 HydrophobicContact CD1-CB 4.01Å; A485-A489 WeakPolarHBondContact O-CB 3.26Å; A485-A489 PolarHBondContact O-N 3.37Å; N486-A489 WeakPolarHBondContact O-CB 3.18Å; N486-A489 PolarHBondContact O-N 2.8Å; N487-A489 VanDerWaalsContact C-N 3.31Å; N487-A489 PolarHBondContact O-N 2.78Å; A489-Q493 PolarHBondContact O-N 2.83Å; A489-F533 HydrophobicContact CB-CB 3.89Å
490I88.4Confident89.6Confident129 Ų12949.4 Ų49.466%0.66225%0.254SS*.Hα-helixtrans-69.2-46.2175.4-61.8168.9000110.5N486 N487 A488 W492 Q493N486-I490 PolarHBondContact O-N 3.35Å; N487-I490 WeakPolarHBondContact O-CB 3.38Å; N487-I490 PolarHBondContact O-N 2.71Å; N487-I490 VanDerWaalsContact O-N 3.15Å; A488-I490 VanDerWaalsContact C-N 3.27Å; A488-I490 PolarHBondContact O-N 3.25Å; I490-W492 PolarHBondContact O-N 3.5Å; I490-Q493 WeakPolarHBondContact O-CB 3.1Å; I490-Q493 PolarHBondContact O-N 3.19Å; I490-Q493 VanDerWaalsContact O-N 3.12Å
491E87Confident90Very high128 Ų12852.3 Ų52.360%0.59826%0.262SS*.Hα-helixtrans-62.4-31.4179.9-70.7-170.2-179.700113.6K362 N487 A488K362-E491 PolarHBondContact NZ-O 2.99Å; N487-E491 PolarHBondContact O-N 3.2Å; A488-E491 PolarHBondContact O-N 3.31Å
492W93.9Very high90.5Very high4 Ų452 Ų522%0.01526%0.26CS..THydrogen-bonded Turntrans-89.1-4.3178.5-79.877.5000113.5L214 A255 I256 Q259 V265 K362 A488 I490 N494 F495 V496 F533L214-W492 HydrophobicContact CD2-CG 4.2Å; A255-W492 HydrophobicContact CB-CZ3 4.44Å; I256-W492 VanDerWaalsContact CA-CH2 3.49Å; I256-W492 HydrophobicContact CB-CH2 4.21Å; I256-W492 HydrophobicContact CB-CZ2 4.23Å; I256-W492 HydrophobicContact CG1-CD2 4.15Å; I256-W492 HydrophobicContact CG1-CE3 4Å; I256-W492 HydrophobicContact CG1-CH2 3.74Å; I256-W492 HydrophobicContact CG1-CZ2 3.85Å; I256-W492 HydrophobicContact CG1-CZ3 3.81Å; Q259-W492 HydrophobicContact CB-CH2 3.98Å; Q259-W492 HydrophobicContact CB-CZ2 3.84Å; Q259-W492 HydrophobicContact CG-CH2 4.48Å; Q259-W492 HydrophobicContact CG-CZ2 4.02Å; V265-W492 HydrophobicContact CG1-CH2 4.16Å; K362-W492 HydrophobicContact CB-CH2 4.31Å; K362-W492 HydrophobicContact CB-CZ3 4.44Å; K362-W492 HydrophobicContact CG-CD2 4.35Å; K362-W492 HydrophobicContact CG-CE3 4.46Å; K362-W492 HydrophobicContact CG-CH2 3.97Å; K362-W492 HydrophobicContact CG-CZ2 3.85Å; K362-W492 HydrophobicContact CG-CZ3 4.28Å; A488-W492 WeakPolarHBondContact O-CB 3.47Å; A488-W492 VanDerWaalsContact O-CD1 3.23Å; A488-W492 PolarHBondContact O-N 2.84Å; I490-W492 PolarHBondContact O-N 3.5Å; W492-N494 VanDerWaalsContact C-N 3.31Å; W492-N494 PolarHBondContact O-N 3.3Å; W492-F495 HydrophobicContact CE3-CB 4.07Å; W492-F495 AromaticContact CE3-CD1 3.63Å; W492-F495 HydrophobicContact CE3-CD1 3.63Å; W492-F495 HydrophobicContact CE3-CE1 4.2Å; W492-F495 AromaticContact CE3-CG 3.83Å; W492-F495 HydrophobicContact CE3-CG 3.83Å; W492-F495 AromaticContact CZ3-CD1 3.64Å; W492-F495 HydrophobicContact CZ3-CD1 3.64Å; W492-F495 HydrophobicContact CZ3-CD2 4.28Å; W492-F495 AromaticContact CZ3-CE1 3.74Å; W492-F495 HydrophobicContact CZ3-CE1 3.74Å; W492-F495 HydrophobicContact CZ3-CE2 4.35Å; W492-F495 AromaticContact CZ3-CG 3.93Å; W492-F495 HydrophobicContact CZ3-CG 3.93Å; W492-F495 HydrophobicContact CZ3-CZ 4.1Å; W492-F495 WeakPolarHBondContact O-CB 3.45Å; W492-F495 PolarHBondContact O-N 2.95Å; W492-V496 PolarHBondContact O-N 3.45Å; W492-F533 HydrophobicContact CB-CD2 3.91Å; W492-F533 HydrophobicContact CB-CE2 3.57Å; W492-F533 HydrophobicContact CB-CZ 4.46Å; W492-F533 HydrophobicContact CE3-CE2 4.45Å; W492-F533 HydrophobicContact CE3-CZ 4.4Å; W492-F533 HydrophobicContact CG-CE2 4.38Å
493Q91.1Very high91.1Very high59 Ų5949.4 Ų49.428%0.27625%0.247SC..Hα-helixtrans-56.1-41-176.1-174.85745.500113.2A489 I490 V496 S497 T531A489-Q493 PolarHBondContact O-N 2.83Å; I490-Q493 WeakPolarHBondContact O-CB 3.1Å; I490-Q493 PolarHBondContact O-N 3.19Å; I490-Q493 VanDerWaalsContact O-N 3.12Å; Q493-V496 WeakPolarHBondContact O-CG1 3.28Å; Q493-S497 PolarHBondContact NE2-OG 3.47Å; Q493-S497 WeakPolarHBondContact O-CB 3.31Å; Q493-S497 PolarHBondContact O-N 2.71Å; Q493-S497 PolarHBondContact O-OG 3.2Å; Q493-T531 PolarHBondContact NE2-O 2.98Å
494N87.6Confident91.6Very high138 Ų13845.7 Ų45.774%0.73823%0.229SC*.Hα-helixtrans-68.8-36.2177.9-75.9-24.3000112.6W492 K498W492-N494 VanDerWaalsContact C-N 3.31Å; W492-N494 PolarHBondContact O-N 3.3Å; N494-K498 WeakPolarHBondContact O-CB 3.48Å; N494-K498 PolarHBondContact O-N 2.98Å
495F92.5Very high91.9Very high8 Ų844.2 Ų44.24%0.03522%0.222CC..Hα-helixtrans-64.8-53.8178.6-177.5-84.9000110.5A255 V265 L267 I360 K362 W492 S497 K498 H499A255-F495 HydrophobicContact CB-CE1 4.3Å; A255-F495 HydrophobicContact CB-CZ 4.12Å; V265-F495 HydrophobicContact CG1-CE2 4.3Å; L267-F495 HydrophobicContact CB-CE2 4.45Å; L267-F495 HydrophobicContact CB-CZ 3.88Å; L267-F495 HydrophobicContact CD2-CE1 4.05Å; L267-F495 HydrophobicContact CD2-CZ 3.92Å; I360-F495 HydrophobicContact CB-CD2 4.46Å; I360-F495 HydrophobicContact CB-CE2 4.17Å; I360-F495 HydrophobicContact CG2-CD1 4.46Å; I360-F495 HydrophobicContact CG2-CD2 3.33Å; I360-F495 HydrophobicContact CG2-CE2 3.48Å; I360-F495 VanDerWaalsContact CG2-CE2 3.48Å; I360-F495 HydrophobicContact CG2-CG 3.87Å; I360-F495 HydrophobicContact CG2-CZ 4.11Å; K362-F495 HydrophobicContact CB-CD2 3.61Å; K362-F495 HydrophobicContact CB-CE2 3.96Å; K362-F495 HydrophobicContact CB-CG 4.43Å; W492-F495 HydrophobicContact CE3-CB 4.07Å; W492-F495 AromaticContact CE3-CD1 3.63Å; W492-F495 HydrophobicContact CE3-CD1 3.63Å; W492-F495 HydrophobicContact CE3-CE1 4.2Å; W492-F495 AromaticContact CE3-CG 3.83Å; W492-F495 HydrophobicContact CE3-CG 3.83Å; W492-F495 AromaticContact CZ3-CD1 3.64Å; W492-F495 HydrophobicContact CZ3-CD1 3.64Å; W492-F495 HydrophobicContact CZ3-CD2 4.28Å; W492-F495 AromaticContact CZ3-CE1 3.74Å; W492-F495 HydrophobicContact CZ3-CE1 3.74Å; W492-F495 HydrophobicContact CZ3-CE2 4.35Å; W492-F495 AromaticContact CZ3-CG 3.93Å; W492-F495 HydrophobicContact CZ3-CG 3.93Å; W492-F495 HydrophobicContact CZ3-CZ 4.1Å; W492-F495 WeakPolarHBondContact O-CB 3.45Å; W492-F495 PolarHBondContact O-N 2.95Å; F495-S497 VanDerWaalsContact C-N 3.32Å; F495-S497 PolarHBondContact O-N 2.8Å; F495-K498 PolarHBondContact O-N 3.34Å; F495-H499 PolarHBondContact O-N 2.83Å
496V93.7Very high92.1Very high0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-64.8-35.6179.8730000112R219 E252 W492 Q493 H499 S500 T531 F533R219-V496 HydrophobicContact CG-CG2 4.27Å; E252-V496 WeakPolarHBondContact OE1-CG2 3.29Å; W492-V496 PolarHBondContact O-N 3.45Å; Q493-V496 WeakPolarHBondContact O-CG1 3.28Å; V496-H499 PolarHBondContact O-N 2.88Å; V496-S500 WeakPolarHBondContact O-CB 3.44Å; V496-S500 PolarHBondContact O-N 2.82Å; V496-T531 WeakPolarHBondContact CG1-O 3.41Å; V496-T531 HydrophobicContact CG2-CG2 3.56Å; V496-F533 HydrophobicContact CB-CD2 4.39Å; V496-F533 HydrophobicContact CB-CE2 3.79Å; V496-F533 HydrophobicContact CB-CZ 4.48Å; V496-F533 HydrophobicContact CG1-CD2 4.31Å; V496-F533 HydrophobicContact CG1-CE2 4.16Å; V496-F533 HydrophobicContact CG2-CE2 4.18Å
497S90.8Very high92.4Very high26 Ų2640.2 Ų40.218%0.18220%0.2CC..Hα-helixtrans-66.9-42.3176.7-61.80000112Q493 F495 R501Q493-S497 PolarHBondContact NE2-OG 3.47Å; Q493-S497 WeakPolarHBondContact O-CB 3.31Å; Q493-S497 PolarHBondContact O-N 2.71Å; Q493-S497 PolarHBondContact O-OG 3.2Å; F495-S497 VanDerWaalsContact C-N 3.32Å; F495-S497 PolarHBondContact O-N 2.8Å; S497-R501 WeakPolarHBondContact O-CG 3.46Å; S497-R501 PolarHBondContact O-N 2.95Å; S497-R501 VanDerWaalsContact O-N 3.11Å
498K92Very high92.6Very high31 Ų3136 Ų3614%0.13518%0.177CC..Hα-helixtrans-65.9-43.2175.8-170.8-179.6176.9-170.50110.9D303 S357 L359 I360 N494 F495 R501 L502D303-K498 IonicContact OD2-NZ 2.69Å; S357-K498 WeakPolarHBondContact O-CE 3.29Å; S357-K498 PolarHBondContact O-NZ 3Å; L359-K498 PolarHBondContact O-NZ 2.81Å; I360-K498 HydrophobicContact CB-CD 4.33Å; I360-K498 HydrophobicContact CG1-CB 4.34Å; I360-K498 HydrophobicContact CG1-CD 3.85Å; I360-K498 HydrophobicContact CG1-CG 3.9Å; I360-K498 HydrophobicContact CG2-CB 4.29Å; I360-K498 HydrophobicContact CG2-CD 4.15Å; I360-K498 HydrophobicContact CG2-CG 4.5Å; N494-K498 WeakPolarHBondContact O-CB 3.48Å; N494-K498 PolarHBondContact O-N 2.98Å; F495-K498 PolarHBondContact O-N 3.34Å; K498-R501 PolarHBondContact O-N 2.84Å; K498-L502 HydrophobicContact CG-CD1 4.04Å; K498-L502 PolarHBondContact O-N 3.47Å
499H96.1Very high92.7Very high0 Ų037.5 Ų37.50%018%0.182CC..Hα-helixtrans-57.3-51.6175.7-176.4-151.2000112W243 Q248 E252 L267 I360 F495 V496 R501 L502 F503W243-H499 AromaticContact CH2-CE1 3.71Å; W243-H499 AromaticContact CH2-ND1 3.48Å; W243-H499 WeakPolarHBondContact CH2-ND1 2.87Å; Q248-H499 PolarHBondContact OE1-CE1 3.45Å; Q248-H499 PolarHBondContact OE1-NE2 3.02Å; Q248-H499 VanDerWaalsContact OE1-NE2 3.14Å; E252-H499 IonicContact OE1-CE1 3.33Å; E252-H499 IonicContact OE1-CG 3.91Å; E252-H499 IonicContact OE1-ND1 3.82Å; E252-H499 PolarHBondContact OE1-ND1 3.3Å; L267-H499 HydrophobicContact CD2-CB 4.33Å; I360-H499 HydrophobicContact CD1-CB 3.91Å; F495-H499 PolarHBondContact O-N 2.83Å; V496-H499 PolarHBondContact O-N 2.88Å; H499-R501 VanDerWaalsContact C-N 3.33Å; H499-R501 PolarHBondContact O-N 2.99Å; H499-L502 PolarHBondContact O-N 2.94Å; H499-F503 WeakPolarHBondContact O-CB 3.3Å; H499-F503 PolarHBondContact O-N 2.98Å
500S95.1Very high92.9Very high5 Ų538.5 Ų38.54%0.03518%0.184CC..Hα-helixtrans-59.5-38.7178.2179.70000113.2V496 K504 T531V496-S500 WeakPolarHBondContact O-CB 3.44Å; V496-S500 PolarHBondContact O-N 2.82Å; S500-K504 VanDerWaalsContact O-CB 3.24Å; S500-K504 WeakPolarHBondContact O-CB 3.28Å; S500-K504 PolarHBondContact O-N 3.33Å; S500-T531 VanDerWaalsContact CB-OG1 3.29Å; S500-T531 WeakPolarHBondContact CB-OG1 3.47Å; S500-T531 PolarHBondContact OG-OG1 2.97Å
501R93.3Very high93Very high116 Ų11632.6 Ų32.644%0.43815%0.154SC..Hα-helixtrans-66.1-48175.7-74.6-169.5-46.5-105.54.9112.7E356 S497 K498 H499 K504 E505E356-R501 IonicContact OE1-CZ 2.74Å; E356-R501 IonicContact OE1-NE 2.83Å; E356-R501 PolarHBondContact OE1-NE 2.9Å; E356-R501 IonicContact OE1-NH2 2.74Å; E356-R501 PolarHBondContact OE1-NH2 2.96Å; E356-R501 VanDerWaalsContact OE1-NH2 3.08Å; E356-R501 IonicContact OE2-CZ 3.64Å; E356-R501 IonicContact OE2-NE 3.97Å; E356-R501 IonicContact OE2-NH2 2.78Å; E356-R501 PolarHBondContact OE2-NH2 3.24Å; S497-R501 WeakPolarHBondContact O-CG 3.46Å; S497-R501 PolarHBondContact O-N 2.95Å; S497-R501 VanDerWaalsContact O-N 3.11Å; K498-R501 PolarHBondContact O-N 2.84Å; H499-R501 VanDerWaalsContact C-N 3.33Å; H499-R501 PolarHBondContact O-N 2.99Å; R501-K504 PolarHBondContact O-N 3.38Å; R501-E505 PolarHBondContact O-N 2.9Å
502L94.7Very high93.2Very high0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-65.5-43.1-179.7-76.2171000111.4V269 F354 E356 I360 K498 H499 K504 E505 G506V269-L502 HydrophobicContact CB-CB 4.08Å; V269-L502 HydrophobicContact CG1-CB 4.2Å; V269-L502 HydrophobicContact CG2-CB 3.92Å; V269-L502 HydrophobicContact CG2-CD1 4.28Å; F354-L502 HydrophobicContact CB-CD2 3.96Å; F354-L502 HydrophobicContact CD1-CD2 3.74Å; F354-L502 HydrophobicContact CG-CD2 4.06Å; E356-L502 HydrophobicContact CG-CD2 3.66Å; E356-L502 HydrophobicContact CG-CG 4.14Å; I360-L502 HydrophobicContact CD1-CD1 3.84Å; I360-L502 HydrophobicContact CG1-CD1 3.69Å; K498-L502 HydrophobicContact CG-CD1 4.04Å; K498-L502 PolarHBondContact O-N 3.47Å; H499-L502 PolarHBondContact O-N 2.94Å; L502-K504 PolarHBondContact O-N 3.27Å; L502-E505 PolarHBondContact O-N 3.21Å; L502-G506 PolarHBondContact O-N 2.94Å
503F96.1Very high92.8Very high1 Ų131.7 Ų31.70%0.00416%0.164CC..Hα-helixtrans-61.2-44.5175.2-172.5-96.7000111.3F239 H242 W243 T246 Q248 V277 H499 E505 G506 L507F239-F503 HydrophobicContact CD2-CD1 4.37Å; F239-F503 AromaticContact CE2-CD1 3.87Å; F239-F503 HydrophobicContact CE2-CD1 3.87Å; H242-F503 HydrophobicContact CB-CE1 4.38Å; H242-F503 HydrophobicContact CB-CZ 4.4Å; W243-F503 HydrophobicContact CB-CE1 4.31Å; W243-F503 HydrophobicContact CE3-CB 4.45Å; W243-F503 AromaticContact CE3-CD1 3.72Å; W243-F503 HydrophobicContact CE3-CD1 3.72Å; W243-F503 HydrophobicContact CE3-CE1 4.18Å; W243-F503 HydrophobicContact CE3-CG 4.12Å; W243-F503 HydrophobicContact CZ3-CB 4.14Å; W243-F503 HydrophobicContact CZ3-CD1 4.26Å; W243-F503 HydrophobicContact CZ3-CG 4.25Å; T246-F503 WeakPolarHBondContact OG1-CZ 3.39Å; Q248-F503 HydrophobicContact CG-CD2 4.02Å; Q248-F503 HydrophobicContact CG-CE1 4.43Å; Q248-F503 HydrophobicContact CG-CE2 3.73Å; Q248-F503 HydrophobicContact CG-CG 4.49Å; Q248-F503 HydrophobicContact CG-CZ 3.95Å; V277-F503 HydrophobicContact CG1-CD2 4.12Å; V277-F503 HydrophobicContact CG1-CE2 3.69Å; V277-F503 HydrophobicContact CG1-CZ 4.15Å; V277-F503 HydrophobicContact CG2-CD2 4.11Å; V277-F503 HydrophobicContact CG2-CE2 4.43Å; H499-F503 WeakPolarHBondContact O-CB 3.3Å; H499-F503 PolarHBondContact O-N 2.98Å; F503-E505 VanDerWaalsContact C-N 3.31Å; F503-E505 PolarHBondContact O-N 3.49Å; F503-G506 PolarHBondContact O-N 3.12Å; F503-L507 HydrophobicContact CE1-CD2 4.22Å; F503-L507 VanDerWaalsContact O-CB 3.26Å; F503-L507 WeakPolarHBondContact O-CB 3.26Å; F503-L507 PolarHBondContact O-N 3.23Å
504K95.9Very high92.6Very high37 Ų3732 Ų3216%0.16117%0.172CC..Hα-helixtrans-58-41.9174.4-175.3-175.567.1152.30112.2F239 S500 R501 L502 A508 F524 M527 I529F239-K504 HydrophobicContact CD2-CB 4.16Å; F239-K504 HydrophobicContact CD2-CG 4.35Å; F239-K504 HydrophobicContact CE2-CB 3.98Å; S500-K504 VanDerWaalsContact O-CB 3.24Å; S500-K504 WeakPolarHBondContact O-CB 3.28Å; S500-K504 PolarHBondContact O-N 3.33Å; R501-K504 PolarHBondContact O-N 3.38Å; L502-K504 PolarHBondContact O-N 3.27Å; K504-A508 WeakPolarHBondContact O-CB 3.42Å; K504-A508 PolarHBondContact O-N 3.32Å; K504-A508 VanDerWaalsContact O-N 3.1Å; K504-F524 WeakPolarHBondContact CD-O 3.46Å; K504-F524 WeakPolarHBondContact CE-O 3.32Å; K504-F524 HydrophobicContact CG-CB 4.19Å; K504-F524 HydrophobicContact CG-CD1 3.87Å; K504-F524 PolarHBondContact NZ-O 3.22Å; K504-M527 PolarHBondContact NZ-O 3.31Å; K504-I529 HydrophobicContact CD-CD1 4.06Å
505E94Very high92.3Very high43 Ų4327.6 Ų27.620%0.20116%0.16CC..Hα-helixtrans-68.8-42.8178-168.6-173151.300112.2F354 S355 R501 L502 F503 A508 K509F354-E505 VanDerWaalsContact CA-OE1 3.27Å; F354-E505 WeakPolarHBondContact CA-OE1 3.44Å; F354-E505 HydrophobicContact CD1-CB 4.33Å; F354-E505 HydrophobicContact CD1-CG 4.4Å; S355-E505 VanDerWaalsContact CB-OE2 3.24Å; S355-E505 WeakPolarHBondContact CB-OE2 3.18Å; S355-E505 PolarHBondContact N-OE1 3.46Å; S355-E505 VanDerWaalsContact N-OE1 3.08Å; S355-E505 PolarHBondContact N-OE2 3.24Å; S355-E505 PolarHBondContact OG-OE2 3.35Å; R501-E505 PolarHBondContact O-N 2.9Å; L502-E505 PolarHBondContact O-N 3.21Å; F503-E505 VanDerWaalsContact C-N 3.31Å; F503-E505 PolarHBondContact O-N 3.49Å; E505-A508 PolarHBondContact O-N 3.36Å; E505-K509 PolarHBondContact O-N 2.84Å; E505-K509 IonicContact OE1-NZ 2.74Å; E505-K509 PolarHBondContact OE1-NZ 3.03Å
506G94.1Very high91.9Very high0 Ų033.8 Ų33.80%019%0.189CC..Hα-helixtrans-64.2-45.9176.800000112L502 F503 A508 K509 Q510L502-G506 PolarHBondContact O-N 2.94Å; F503-G506 PolarHBondContact O-N 3.12Å; G506-A508 VanDerWaalsContact C-N 3.31Å; G506-A508 PolarHBondContact O-N 2.98Å; G506-K509 WeakPolarHBondContact O-CB 3.49Å; G506-K509 PolarHBondContact O-N 2.8Å; G506-Q510 PolarHBondContact O-N 3.35Å
507L95.6Very high91.6Very high0 Ų034.9 Ų34.90%020%0.195CC..Hα-helixtrans-59.6-41.9176.1179.358.2000111.5F239 H242 V277 F503 K509 Q510 L511 F524F239-L507 HydrophobicContact CD2-CD2 4.41Å; H242-L507 HydrophobicContact CB-CD1 3.89Å; H242-L507 HydrophobicContact CB-CD2 3.67Å; H242-L507 HydrophobicContact CB-CG 4.46Å; V277-L507 HydrophobicContact CG1-CB 4.29Å; F503-L507 HydrophobicContact CE1-CD2 4.22Å; F503-L507 VanDerWaalsContact O-CB 3.26Å; F503-L507 WeakPolarHBondContact O-CB 3.26Å; F503-L507 PolarHBondContact O-N 3.23Å; L507-K509 VanDerWaalsContact C-N 3.25Å; L507-K509 PolarHBondContact O-N 3.3Å; L507-Q510 PolarHBondContact O-N 2.94Å; L507-L511 HydrophobicContact CD1-CD1 4.2Å; L507-L511 HydrophobicContact CD1-CD2 4.43Å; L507-L511 HydrophobicContact CD1-CG 4.01Å; L507-L511 HydrophobicContact CG-CD1 4.06Å; L507-L511 HydrophobicContact CG-CG 4.33Å; L507-L511 VanDerWaalsContact O-CG 3.32Å; L507-L511 WeakPolarHBondContact O-CG 3.41Å; L507-L511 PolarHBondContact O-N 3.49Å; L507-F524 HydrophobicContact CD2-CE1 3.87Å; L507-F524 HydrophobicContact CG-CE1 4.01Å
508A93.6Very high91.3Very high4 Ų438.2 Ų38.23%0.03322%0.216CC..Hα-helixtrans-61.1-34.1176.300000112.8K504 E505 G506 V512 A520 I521 F524K504-A508 WeakPolarHBondContact O-CB 3.42Å; K504-A508 PolarHBondContact O-N 3.32Å; K504-A508 VanDerWaalsContact O-N 3.1Å; E505-A508 PolarHBondContact O-N 3.36Å; G506-A508 VanDerWaalsContact C-N 3.31Å; G506-A508 PolarHBondContact O-N 2.98Å; A508-V512 WeakPolarHBondContact O-CG2 3.41Å; A508-V512 PolarHBondContact O-N 3.31Å; A508-A520 HydrophobicContact CB-CB 4.27Å; A508-A520 WeakPolarHBondContact O-CB 3.38Å; A508-I521 HydrophobicContact CB-CG1 4.39Å; A508-F524 HydrophobicContact CB-CB 3.83Å; A508-F524 HydrophobicContact CB-CD1 4Å; A508-F524 HydrophobicContact CB-CG 3.93Å
509K92.6Very high91.1Very high47 Ų4739.7 Ų39.720%0.20423%0.227CC..Hα-helixtrans-73.3-42.2174.1-67.5169.6-172.6154.60111.8M271 G353 E505 G506 L507 L511 V512 A513 I521M271-K509 HydrophobicContact CE-CB 3.88Å; M271-K509 HydrophobicContact SD-CB 4.44Å; G353-K509 VanDerWaalsContact C-NZ 3.35Å; G353-K509 WeakPolarHBondContact O-CE 3.38Å; G353-K509 PolarHBondContact O-NZ 3.01Å; E505-K509 PolarHBondContact O-N 2.84Å; E505-K509 IonicContact OE1-NZ 2.74Å; E505-K509 PolarHBondContact OE1-NZ 3.03Å; G506-K509 WeakPolarHBondContact O-CB 3.49Å; G506-K509 PolarHBondContact O-N 2.8Å; L507-K509 VanDerWaalsContact C-N 3.25Å; L507-K509 PolarHBondContact O-N 3.3Å; K509-L511 VanDerWaalsContact C-N 3.34Å; K509-L511 PolarHBondContact O-N 3.07Å; K509-V512 PolarHBondContact O-N 2.94Å; K509-A513 WeakPolarHBondContact O-CB 3.4Å; K509-A513 PolarHBondContact O-N 2.78Å; K509-I521 HydrophobicContact CG-CD1 4.31Å; K509-I521 HydrophobicContact CG-CG1 4.41Å
510Q93Very high90.6Very high32 Ų3239.7 Ų39.715%0.1523%0.227CC..Hα-helixtrans-57-48.1175.5176.3178-26.600111.1M271 N275 E276 G506 L507 V512 A513 S514M271-Q510 HydrophobicContact CE-CB 4.29Å; N275-Q510 VanDerWaalsContact O-CA 3.32Å; N275-Q510 WeakPolarHBondContact O-CA 3.24Å; N275-Q510 WeakPolarHBondContact O-CB 3.39Å; E276-Q510 VanDerWaalsContact CA-OE1 3.32Å; G506-Q510 PolarHBondContact O-N 3.35Å; L507-Q510 PolarHBondContact O-N 2.94Å; Q510-V512 VanDerWaalsContact C-N 3.28Å; Q510-V512 PolarHBondContact O-N 3.42Å; Q510-A513 PolarHBondContact O-N 3.05Å; Q510-A513 VanDerWaalsContact O-N 3.12Å; Q510-S514 WeakPolarHBondContact O-CB 3.33Å; Q510-S514 PolarHBondContact O-N 3.14Å; Q510-S514 PolarHBondContact O-OG 3.35Å
511L91.5Very high90.2Very high5 Ų543.8 Ų43.83%0.02625%0.248CC..Hα-helixtrans-65.2-29.2179.8-67.7174.4000113.4L507 K509 S514 G515 E516 N517 A520 F524L507-L511 HydrophobicContact CD1-CD1 4.2Å; L507-L511 HydrophobicContact CD1-CD2 4.43Å; L507-L511 HydrophobicContact CD1-CG 4.01Å; L507-L511 HydrophobicContact CG-CD1 4.06Å; L507-L511 HydrophobicContact CG-CG 4.33Å; L507-L511 VanDerWaalsContact O-CG 3.32Å; L507-L511 WeakPolarHBondContact O-CG 3.41Å; L507-L511 PolarHBondContact O-N 3.49Å; K509-L511 VanDerWaalsContact C-N 3.34Å; K509-L511 PolarHBondContact O-N 3.07Å; L511-S514 PolarHBondContact O-OG 3.21Å; L511-G515 PolarHBondContact O-N 3Å; L511-E516 HydrophobicContact CD2-CB 4.14Å; L511-E516 VanDerWaalsContact CD2-OE2 3.26Å; L511-E516 WeakPolarHBondContact CD2-OE2 3.35Å; L511-E516 PolarHBondContact O-N 3.15Å; L511-E516 VanDerWaalsContact O-N 3.17Å; L511-N517 HydrophobicContact CB-CB 4.18Å; L511-N517 CarbonylContact O-C 3.57Å; L511-N517 PolarHBondContact O-N 2.84Å; L511-A520 HydrophobicContact CB-CB 3.85Å; L511-A520 HydrophobicContact CD1-CB 4.25Å; L511-F524 HydrophobicContact CD1-CE1 4.05Å; L511-F524 HydrophobicContact CD1-CE2 4.03Å; L511-F524 HydrophobicContact CD1-CZ 3.47Å; L511-F524 VanDerWaalsContact CD1-CZ 3.47Å
512V90Very high89.9Confident52 Ų5242.4 Ų42.432%0.31525%0.253SS..Hα-helixtrans-73.7-41.4171.8170.50000110.9A508 K509 Q510 G515 N517 A520 I521A508-V512 WeakPolarHBondContact O-CG2 3.41Å; A508-V512 PolarHBondContact O-N 3.31Å; K509-V512 PolarHBondContact O-N 2.94Å; Q510-V512 VanDerWaalsContact C-N 3.28Å; Q510-V512 PolarHBondContact O-N 3.42Å; V512-G515 PolarHBondContact O-N 3.01Å; V512-N517 WeakPolarHBondContact CG2-O 3.3Å; V512-A520 HydrophobicContact CG2-CB 4.15Å; V512-I521 HydrophobicContact CB-CD1 4.38Å; V512-I521 HydrophobicContact CG1-CD1 4.5Å; V512-I521 HydrophobicContact CG2-CD1 3.99Å; V512-I521 HydrophobicContact CG2-CG1 3.85Å
513A86.8Confident89.6Confident61 Ų6143.4 Ų43.450%0.50426%0.257SS..Hα-helixtrans-70.1-38.9-179.100000112.7N275 K509 Q510 G515N275-A513 HydrophobicContact CB-CB 3.73Å; K509-A513 WeakPolarHBondContact O-CB 3.4Å; K509-A513 PolarHBondContact O-N 2.78Å; Q510-A513 PolarHBondContact O-N 3.05Å; Q510-A513 VanDerWaalsContact O-N 3.12Å; A513-G515 PolarHBondContact O-N 3.08Å
514S86.9Confident89.3Confident66 Ų6643.5 Ų43.546%0.46226%0.258SS..Hα-helixtrans-70.3-20.5173.667.90000112.5Q510 L511 E516Q510-S514 WeakPolarHBondContact O-CB 3.33Å; Q510-S514 PolarHBondContact O-N 3.14Å; Q510-S514 PolarHBondContact O-OG 3.35Å; L511-S514 PolarHBondContact O-OG 3.21Å; S514-E516 VanDerWaalsContact C-N 3.27Å; S514-E516 WeakPolarHBondContact OG-CB 3.45Å; S514-E516 WeakPolarHBondContact OG-CG 3.25Å; S514-E516 PolarHBondContact OG-N 2.71Å; S514-E516 PolarHBondContact OG-OE2 2.8Å
515G81.1Confident88.9Confident46 Ų4650.2 Ų50.247%0.47429%0.287SS..SBendtrans80.91.8-175.100000114.2L511 V512 A513L511-G515 PolarHBondContact O-N 3Å; V512-G515 PolarHBondContact O-N 3.01Å; A513-G515 PolarHBondContact O-N 3.08Å
516E84.2Confident88.4Confident138 Ų13855 Ų5565%0.64531%0.309SS*.SBendtrans-66.2-39-179.9-73.1172.7172.700112.5L511 S514L511-E516 HydrophobicContact CD2-CB 4.14Å; L511-E516 VanDerWaalsContact CD2-OE2 3.26Å; L511-E516 WeakPolarHBondContact CD2-OE2 3.35Å; L511-E516 PolarHBondContact O-N 3.15Å; L511-E516 VanDerWaalsContact O-N 3.17Å; S514-E516 VanDerWaalsContact C-N 3.27Å; S514-E516 WeakPolarHBondContact OG-CB 3.45Å; S514-E516 WeakPolarHBondContact OG-CG 3.25Å; S514-E516 PolarHBondContact OG-N 2.71Å; S514-E516 PolarHBondContact OG-OE2 2.8Å
517N87.1Confident88.1Confident22 Ų2255 Ų5512%0.11831%0.309CS..  trans-139.292.3170.9-177-11000110.5N235 L511 V512 T519 A520 E523N235-N517 PolarHBondContact OD1-ND2 2.79Å; L511-N517 HydrophobicContact CB-CB 4.18Å; L511-N517 CarbonylContact O-C 3.57Å; L511-N517 PolarHBondContact O-N 2.84Å; V512-N517 WeakPolarHBondContact CG2-O 3.3Å; N517-T519 PolarHBondContact O-N 2.88Å; N517-T519 VanDerWaalsContact O-N 3.07Å; N517-T519 PolarHBondContact OD1-N 3.41Å; N517-T519 VanDerWaalsContact OD1-N 3.13Å; N517-T519 PolarHBondContact OD1-OG1 3.07Å; N517-A520 HydrophobicContact CB-CB 3.94Å; N517-A520 VanDerWaalsContact O-CB 3.28Å; N517-A520 WeakPolarHBondContact O-CB 3.17Å; N517-A520 PolarHBondContact O-N 3.28Å; N517-A520 PolarHBondContact OD1-N 3.07Å; N517-A520 VanDerWaalsContact OD1-N 3.09Å; N517-E523 PolarHBondContact ND2-OE2 2.7Å; N517-E523 VanDerWaalsContact ND2-OE2 3.1Å
518P83.7Confident87.8Confident97 Ų9762.3 Ų62.363%0.6334%0.337SS*.THydrogen-bonded Turntrans-61.4-18.3-178-23.233.2000114.7
519T86.9Confident87.5Confident61 Ų6163.6 Ų63.637%0.37434%0.343SS..THydrogen-bonded Turntrans-106.87.2-179.544.10000112.9N517 I521 T522 E523N517-T519 PolarHBondContact O-N 2.88Å; N517-T519 VanDerWaalsContact O-N 3.07Å; N517-T519 PolarHBondContact OD1-N 3.41Å; N517-T519 VanDerWaalsContact OD1-N 3.13Å; N517-T519 PolarHBondContact OD1-OG1 3.07Å; T519-I521 VanDerWaalsContact C-N 3.32Å; T519-I521 PolarHBondContact O-N 2.76Å; T519-T522 PolarHBondContact O-N 2.9Å; T519-T522 VanDerWaalsContact O-N 3.09Å; T519-T522 PolarHBondContact O-OG1 3.01Å; T519-E523 VanDerWaalsContact CB-OE1 3.31Å; T519-E523 WeakPolarHBondContact CB-OE1 3.34Å; T519-E523 WeakPolarHBondContact O-CG 3.45Å; T519-E523 PolarHBondContact O-N 2.8Å; T519-E523 VanDerWaalsContact OG1-CD 3.32Å; T519-E523 PolarHBondContact OG1-OE1 3.37Å
520A86.8Confident87.2Confident0 Ų063 Ų630%035%0.345CS..Hα-helixtrans-55.4-41.2-174.500000113.2A508 L511 V512 N517 T522 E523 F524A508-A520 HydrophobicContact CB-CB 4.27Å; A508-A520 WeakPolarHBondContact O-CB 3.38Å; L511-A520 HydrophobicContact CB-CB 3.85Å; L511-A520 HydrophobicContact CD1-CB 4.25Å; V512-A520 HydrophobicContact CG2-CB 4.15Å; N517-A520 HydrophobicContact CB-CB 3.94Å; N517-A520 VanDerWaalsContact O-CB 3.28Å; N517-A520 WeakPolarHBondContact O-CB 3.17Å; N517-A520 PolarHBondContact O-N 3.28Å; N517-A520 PolarHBondContact OD1-N 3.07Å; N517-A520 VanDerWaalsContact OD1-N 3.09Å; A520-T522 VanDerWaalsContact C-N 3.32Å; A520-T522 PolarHBondContact O-N 3.24Å; A520-E523 PolarHBondContact O-N 3.44Å; A520-E523 VanDerWaalsContact O-N 3.15Å; A520-F524 HydrophobicContact CB-CD2 4.08Å; A520-F524 HydrophobicContact CB-CE2 4.18Å; A520-F524 VanDerWaalsContact O-CB 3.25Å; A520-F524 WeakPolarHBondContact O-CB 3.4Å; A520-F524 WeakPolarHBondContact O-CD2 3.29Å; A520-F524 PolarHBondContact O-N 3.21Å
521I87.4Confident87.1Confident92 Ų9261.5 Ų61.547%0.47234%0.338SS..Hα-helixtrans-55.2-46.6178.2-67.5170000111.6A508 K509 V512 T519 K525A508-I521 HydrophobicContact CB-CG1 4.39Å; K509-I521 HydrophobicContact CG-CD1 4.31Å; K509-I521 HydrophobicContact CG-CG1 4.41Å; V512-I521 HydrophobicContact CB-CD1 4.38Å; V512-I521 HydrophobicContact CG1-CD1 4.5Å; V512-I521 HydrophobicContact CG2-CD1 3.99Å; V512-I521 HydrophobicContact CG2-CG1 3.85Å; T519-I521 VanDerWaalsContact C-N 3.32Å; T519-I521 PolarHBondContact O-N 2.76Å; I521-K525 WeakPolarHBondContact O-CB 3.47Å
522T86.4Confident87.1Confident87 Ų8762.6 Ų62.653%0.53435%0.345SS..Hα-helixtrans-72.3-36.5178.236.30000112.7T519 A520T519-T522 PolarHBondContact O-N 2.9Å; T519-T522 VanDerWaalsContact O-N 3.09Å; T519-T522 PolarHBondContact O-OG1 3.01Å; A520-T522 VanDerWaalsContact C-N 3.32Å; A520-T522 PolarHBondContact O-N 3.24Å
523E88.3Confident87.2Confident21 Ų2160.7 Ų60.710%0.09833%0.333CS..Hα-helixtrans-78.3-46.1-174.7-67.7175.7-17500112.6K231 N235 N517 T519 A520 K525 Q526 M527K231-E523 WeakPolarHBondContact CE-OE1 3.35Å; K231-E523 IonicContact NZ-OE1 3.66Å; K231-E523 PolarHBondContact NZ-OE1 3.39Å; N235-E523 WeakPolarHBondContact ND2-CB 3.26Å; N235-E523 PolarHBondContact ND2-OE2 3.41Å; N517-E523 PolarHBondContact ND2-OE2 2.7Å; N517-E523 VanDerWaalsContact ND2-OE2 3.1Å; T519-E523 VanDerWaalsContact CB-OE1 3.31Å; T519-E523 WeakPolarHBondContact CB-OE1 3.34Å; T519-E523 WeakPolarHBondContact O-CG 3.45Å; T519-E523 PolarHBondContact O-N 2.8Å; T519-E523 VanDerWaalsContact OG1-CD 3.32Å; T519-E523 PolarHBondContact OG1-OE1 3.37Å; A520-E523 PolarHBondContact O-N 3.44Å; A520-E523 VanDerWaalsContact O-N 3.15Å; E523-K525 PolarHBondContact O-N 3.15Å; E523-Q526 WeakPolarHBondContact O-CB 3.21Å; E523-Q526 PolarHBondContact O-N 2.79Å; E523-M527 PolarHBondContact O-N 3.49Å
524F90.3Very high87.2Confident2 Ų262.7 Ų62.71%0.00933%0.33CS..Hα-helixtrans-66.9-26.1179.5-80.2-134.2000111.5N235 K504 L507 A508 L511 A520 Q526 M527N235-F524 HydrophobicContact CB-CD2 4.14Å; N235-F524 HydrophobicContact CB-CE2 3.65Å; N235-F524 HydrophobicContact CB-CZ 4.27Å; K504-F524 WeakPolarHBondContact CD-O 3.46Å; K504-F524 WeakPolarHBondContact CE-O 3.32Å; K504-F524 HydrophobicContact CG-CB 4.19Å; K504-F524 HydrophobicContact CG-CD1 3.87Å; K504-F524 PolarHBondContact NZ-O 3.22Å; L507-F524 HydrophobicContact CD2-CE1 3.87Å; L507-F524 HydrophobicContact CG-CE1 4.01Å; A508-F524 HydrophobicContact CB-CB 3.83Å; A508-F524 HydrophobicContact CB-CD1 4Å; A508-F524 HydrophobicContact CB-CG 3.93Å; L511-F524 HydrophobicContact CD1-CE1 4.05Å; L511-F524 HydrophobicContact CD1-CE2 4.03Å; L511-F524 HydrophobicContact CD1-CZ 3.47Å; L511-F524 VanDerWaalsContact CD1-CZ 3.47Å; A520-F524 HydrophobicContact CB-CD2 4.08Å; A520-F524 HydrophobicContact CB-CE2 4.18Å; A520-F524 VanDerWaalsContact O-CB 3.25Å; A520-F524 WeakPolarHBondContact O-CB 3.4Å; A520-F524 WeakPolarHBondContact O-CD2 3.29Å; A520-F524 PolarHBondContact O-N 3.21Å; F524-Q526 VanDerWaalsContact C-N 3.27Å; F524-Q526 PolarHBondContact O-N 3.16Å; F524-M527 HydrophobicContact CB-CE 4.26Å; F524-M527 HydrophobicContact CD1-CE 3.96Å; F524-M527 HydrophobicContact CD2-CE 3.85Å; F524-M527 HydrophobicContact CE1-CE 4.19Å; F524-M527 HydrophobicContact CE2-CE 4.1Å; F524-M527 HydrophobicContact CG-CE 3.76Å; F524-M527 HydrophobicContact CZ-CE 4.25Å; F524-M527 WeakPolarHBondContact O-CB 3.49Å; F524-M527 PolarHBondContact O-N 2.9Å
525K86.2Confident87.2Confident178 Ų17861.1 Ų61.177%0.77432%0.319SS*.Hα-helixtrans-63.2-32.3170.9-171.9173-177.4174.60112.4I521 E523 M527I521-K525 WeakPolarHBondContact O-CB 3.47Å; E523-K525 PolarHBondContact O-N 3.15Å; K525-M527 VanDerWaalsContact C-N 3.33Å
526Q85.1Confident87.5Confident144 Ų14462.4 Ų62.467%0.67331%0.309SS*.Hα-helixtrans-76.8-21.7176.2-61.2178.54.600112.5E523 F524 R528E523-Q526 WeakPolarHBondContact O-CB 3.21Å; E523-Q526 PolarHBondContact O-N 2.79Å; F524-Q526 VanDerWaalsContact C-N 3.27Å; F524-Q526 PolarHBondContact O-N 3.16Å; Q526-R528 PolarHBondContact O-N 3.13Å
527M87.6Confident87.3Confident0 Ų059.5 Ų59.50%030%0.296CS..  trans-73.3106-179.2-156.9-173.4-29.100112.3L223 L232 N235 F236 K504 E523 F524 K525 I529L223-M527 HydrophobicContact CD1-CG 3.65Å; L232-M527 HydrophobicContact CD1-CB 3.84Å; L232-M527 HydrophobicContact CD1-CG 3.85Å; N235-M527 HydrophobicContact CB-CE 3.45Å; N235-M527 VanDerWaalsContact CB-CE 3.45Å; F236-M527 WeakPolarHBondContact CA-SD 3.17Å; F236-M527 HydrophobicContact CB-SD 3.72Å; F236-M527 HydrophobicContact CD2-SD 3.97Å; F236-M527 HydrophobicContact CG-SD 4.36Å; K504-M527 PolarHBondContact NZ-O 3.31Å; E523-M527 PolarHBondContact O-N 3.49Å; F524-M527 HydrophobicContact CB-CE 4.26Å; F524-M527 HydrophobicContact CD1-CE 3.96Å; F524-M527 HydrophobicContact CD2-CE 3.85Å; F524-M527 HydrophobicContact CE1-CE 4.19Å; F524-M527 HydrophobicContact CE2-CE 4.1Å; F524-M527 HydrophobicContact CG-CE 3.76Å; F524-M527 HydrophobicContact CZ-CE 4.25Å; F524-M527 WeakPolarHBondContact O-CB 3.49Å; F524-M527 PolarHBondContact O-N 2.9Å; K525-M527 VanDerWaalsContact C-N 3.33Å; M527-I529 HydrophobicContact CG-CD1 4.04Å; M527-I529 HydrophobicContact CG-CG1 3.86Å; M527-I529 PolarHBondContact O-N 2.91Å; M527-I529 HydrophobicContact SD-CD1 3.57Å; M527-I529 VanDerWaalsContact SD-CD1 3.57Å; M527-I529 HydrophobicContact SD-CG1 4.05Å
528R87.5Confident86.6Confident154 Ų15461.3 Ų61.358%0.58131%0.308SS*.  trans-89.599.6179.6-64.6179.7-179.8175.12.3109.9H224 Q526H224-R528 HydrophobicContact CB-CB 4Å; H224-R528 PolarHBondContact N-O 2.78Å; Q526-R528 PolarHBondContact O-N 3.13Å
529I87.8Confident85.9Confident31 Ų3161.7 Ų61.716%0.15930%0.3CS..EExtended strand (participates in β ladder)trans-111.2139.2-178.5-49173.2000109.3H221 I222 F236 F239 K504 M527H221-I529 HydrophobicContact CB-CG2 4.28Å; I222-I529 CarbonylContact O-C 3.56Å; I222-I529 VanDerWaalsContact O-CA 3.28Å; I222-I529 WeakPolarHBondContact O-CA 3.46Å; F236-I529 HydrophobicContact CD2-CD1 3.88Å; F236-I529 HydrophobicContact CD2-CG1 4.09Å; F236-I529 HydrophobicContact CE2-CD1 4.1Å; F236-I529 HydrophobicContact CE2-CG1 4.15Å; F236-I529 HydrophobicContact CE2-CG2 4.02Å; F239-I529 HydrophobicContact CD1-CD1 3.79Å; F239-I529 HydrophobicContact CD2-CD1 4.26Å; F239-I529 HydrophobicContact CE1-CD1 4.01Å; F239-I529 HydrophobicContact CE2-CD1 4.42Å; F239-I529 HydrophobicContact CG-CD1 3.95Å; F239-I529 HydrophobicContact CZ-CD1 4.32Å; K504-I529 HydrophobicContact CD-CD1 4.06Å; M527-I529 HydrophobicContact CG-CD1 4.04Å; M527-I529 HydrophobicContact CG-CG1 3.86Å; M527-I529 PolarHBondContact O-N 2.91Å; M527-I529 HydrophobicContact SD-CD1 3.57Å; M527-I529 VanDerWaalsContact SD-CD1 3.57Å; M527-I529 HydrophobicContact SD-CG1 4.05Å
530S86.8Confident85Confident35 Ų3563.7 Ų63.725%0.24531%0.309CS..EExtended strand (participates in β ladder)trans-111.9142.715965.40000109.9H221 I222 H224H221-S530 WeakPolarHBondContact CA-O 3.48Å; I222-S530 PolarHBondContact N-O 3.32Å; I222-S530 PolarHBondContact O-N 2.86Å; H224-S530 VanDerWaalsContact NE2-CB 3.29Å; H224-S530 WeakPolarHBondContact NE2-CB 3.49Å; H224-S530 PolarHBondContact NE2-OG 3.35Å
531T91.6Very high84.4Confident0 Ų069.2 Ų69.20%034%0.335CS..EExtended strand (participates in β ladder)trans-122.5138.2177.1-57.30000108.6R219 N220 H221 Q493 V496 S500R219-T531 HydrophobicContact CB-CG2 3.64Å; R219-T531 HydrophobicContact CG-CG2 4.1Å; N220-T531 WeakPolarHBondContact O-CA 3.47Å; H221-T531 WeakPolarHBondContact CE1-CG2 3.4Å; H221-T531 VanDerWaalsContact ND1-CG2 3.34Å; H221-T531 WeakPolarHBondContact ND1-CG2 3.39Å; H221-T531 PolarHBondContact ND1-OG1 2.88Å; Q493-T531 PolarHBondContact NE2-O 2.98Å; V496-T531 WeakPolarHBondContact CG1-O 3.41Å; V496-T531 HydrophobicContact CG2-CG2 3.56Å; S500-T531 VanDerWaalsContact CB-OG1 3.29Å; S500-T531 WeakPolarHBondContact CB-OG1 3.47Å; S500-T531 PolarHBondContact OG-OG1 2.97Å
532S91.4Very high83.7Confident27 Ų2768.6 Ų68.619%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-144156.2-17854.20000111.6N220N220-S532 PolarHBondContact N-O 3.14Å; N220-S532 PolarHBondContact O-N 2.94Å
533F92.2Very high82.9Confident13 Ų1367 Ų676%0.05733%0.334CS..  trans-73.7145.2170.7-75.7-84.2000110.7L214 I256 A489 W492 V496L214-F533 HydrophobicContact CD1-CB 3.95Å; L214-F533 HydrophobicContact CD1-CD1 4.08Å; L214-F533 HydrophobicContact CD1-CD2 4.48Å; L214-F533 HydrophobicContact CD1-CG 3.91Å; L214-F533 HydrophobicContact CG-CD1 4.08Å; L214-F533 HydrophobicContact CG-CE1 4.43Å; L214-F533 HydrophobicContact CG-CG 4.37Å; L214-F533 WeakPolarHBondContact O-CD1 3.49Å; I256-F533 HydrophobicContact CD1-CD1 4.28Å; I256-F533 HydrophobicContact CD1-CE1 3.4Å; I256-F533 HydrophobicContact CD1-CZ 3.74Å; I256-F533 HydrophobicContact CG1-CZ 4.46Å; A489-F533 HydrophobicContact CB-CB 3.89Å; W492-F533 HydrophobicContact CB-CD2 3.91Å; W492-F533 HydrophobicContact CB-CE2 3.57Å; W492-F533 HydrophobicContact CB-CZ 4.46Å; W492-F533 HydrophobicContact CE3-CE2 4.45Å; W492-F533 HydrophobicContact CE3-CZ 4.4Å; W492-F533 HydrophobicContact CG-CE2 4.38Å; V496-F533 HydrophobicContact CB-CD2 4.39Å; V496-F533 HydrophobicContact CB-CE2 3.79Å; V496-F533 HydrophobicContact CB-CZ 4.48Å; V496-F533 HydrophobicContact CG1-CD2 4.31Å; V496-F533 HydrophobicContact CG1-CE2 4.16Å; V496-F533 HydrophobicContact CG2-CE2 4.18Å
534K86.2Confident82.4Confident102 Ų10269 Ų6944%0.44334%0.341SS..  trans-118.7107.2169.6-176.2-176.1177.3-173.60108N217 W536N217-K534 HydrophobicContact CB-CB 4.24Å; N217-K534 WeakPolarHBondContact CB-O 3.46Å; N217-K534 PolarHBondContact ND2-O 2.77Å; K534-W536 PolarHBondContact O-N 2.9Å
535P87Confident81.9Confident33 Ų3370.1 Ų70.121%0.21435%0.346CS..  trans-53.1134.3-179.8-30.738.5000112.8C213 N217 A485 N486C213-P535 CarbonylContact O-C 3.47Å; C213-P535 VanDerWaalsContact O-CA 3.24Å; C213-P535 WeakPolarHBondContact O-CA 3.21Å; N217-P535 PolarHBondContact ND2-O 2.77Å; A485-P535 HydrophobicContact CB-CB 4Å; A485-P535 HydrophobicContact CB-CG 4.33Å; N486-P535 WeakPolarHBondContact OD1-CG 3.48Å
536W87.4Confident81.4Confident74 Ų7468 Ų6828%0.2834%0.339SS..  trans-87.8137.4179.7178.492.1000111.2L212 C213 N217 K534 P538L212-W536 HydrophobicContact CD1-CD2 4.45Å; L212-W536 HydrophobicContact CD2-CE3 3.99Å; L212-W536 HydrophobicContact CD2-CH2 4.05Å; L212-W536 HydrophobicContact CD2-CZ3 3.69Å; L212-W536 HydrophobicContact CG-CD2 4.19Å; L212-W536 HydrophobicContact CG-CE3 3.81Å; L212-W536 HydrophobicContact CG-CZ3 4.07Å; L212-W536 WeakPolarHBondContact O-CB 3.28Å; C213-W536 PolarHBondContact O-N 2.81Å; N217-W536 WeakPolarHBondContact ND2-CA 3.43Å; K534-W536 PolarHBondContact O-N 2.9Å; W536-P538 HydrophobicContact CH2-CB 4.47Å
537Q79.3Confident81.1Confident77 Ų7765 Ų6536%0.3633%0.326SS..  trans-145149.7174.760.2-177.8-30.100110.1
538P72.7Confident80.6Confident59 Ų5965.3 Ų65.338%0.38333%0.328SS..  trans-66.1142.6171.226.4-32.2000110.8I474 W536I474-P538 HydrophobicContact CG2-CG 4.14Å; W536-P538 HydrophobicContact CH2-CB 4.47Å
539F69.2Low79.9Confident106 Ų10661.8 Ų61.847%0.46533%0.326SS..  trans-141.1162.817763.2-89.3000110.3E541 W544 T567F539-E541 HydrophobicContact CE2-CG 4.14Å; F539-W544 HydrophobicContact CD2-CB 3.53Å; F539-W544 HydrophobicContact CD2-CD2 4.42Å; F539-W544 AromaticContact CD2-CG 3.93Å; F539-W544 HydrophobicContact CD2-CG 3.93Å; F539-W544 HydrophobicContact CE2-CB 3.6Å; F539-W544 AromaticContact CE2-CD1 3.93Å; F539-W544 HydrophobicContact CE2-CD2 4.23Å; F539-W544 AromaticContact CE2-CG 3.63Å; F539-W544 HydrophobicContact CE2-CG 3.63Å; F539-W544 HydrophobicContact CZ-CG 4.42Å; F539-T567 HydrophobicContact CE2-CG2 4.14Å; F539-T567 HydrophobicContact CZ-CG2 4.27Å
540D68.9Low79.2Confident103 Ų10364.7 Ų64.755%0.55135%0.345SS*.  trans-83.1115.9170.9179.9-7.2000109.4S542 A543 W544D540-S542 PolarHBondContact O-N 2.77Å; D540-S542 WeakPolarHBondContact OD1-CB 3.47Å; D540-S542 PolarHBondContact OD1-N 3Å; D540-A543 HydrophobicContact CB-CB 4.03Å; D540-A543 PolarHBondContact O-N 3.11Å; D540-W544 WeakPolarHBondContact O-CB 3.23Å; D540-W544 PolarHBondContact O-N 2.83Å
541E73.9Confident78.3Confident116 Ų11665.5 Ų65.554%0.54235%0.346SS..Hα-helixtrans-59-33.2-179.3-63.5-175.5-179.100112.6F539 N545 T567F539-E541 HydrophobicContact CE2-CG 4.14Å; E541-N545 WeakPolarHBondContact O-CB 3.45Å; E541-N545 VanDerWaalsContact O-CG 3.26Å; E541-N545 PolarHBondContact O-N 2.98Å; E541-N545 PolarHBondContact O-ND2 2.89Å; E541-T567 HydrophobicContact CB-CG2 4.41Å; E541-T567 HydrophobicContact CG-CG2 4.25Å
542S71.9Confident77.1Confident79 Ų7966.9 Ų66.955%0.55236%0.356SS*.Hα-helixtrans-66.1-50.3177.4-172.80000110.7D540 W544 N545 Q546D540-S542 PolarHBondContact O-N 2.77Å; D540-S542 WeakPolarHBondContact OD1-CB 3.47Å; D540-S542 PolarHBondContact OD1-N 3Å; S542-W544 VanDerWaalsContact C-N 3.34Å; S542-W544 PolarHBondContact O-N 2.97Å; S542-N545 PolarHBondContact O-N 3.11Å; S542-Q546 WeakPolarHBondContact O-CB 3.47Å; S542-Q546 PolarHBondContact O-N 2.97Å
543A70.1Confident75.7Confident52 Ų5268.7 Ų68.743%0.4338%0.379SS..Hα-helixtrans-63.4-38.5177.600000112.4D540 Q546 M547D540-A543 HydrophobicContact CB-CB 4.03Å; D540-A543 PolarHBondContact O-N 3.11Å; A543-Q546 PolarHBondContact O-N 3.19Å; A543-M547 WeakPolarHBondContact O-CB 3.3Å; A543-M547 PolarHBondContact O-N 3.15Å
544W77.2Confident74.3Confident65 Ų6571.3 Ų71.325%0.24640%0.403CS..Hα-helixtrans-64.5-47.6176.6176-97.1000112.4F539 D540 S542 Q546 M547 L548 K565F539-W544 HydrophobicContact CD2-CB 3.53Å; F539-W544 HydrophobicContact CD2-CD2 4.42Å; F539-W544 AromaticContact CD2-CG 3.93Å; F539-W544 HydrophobicContact CD2-CG 3.93Å; F539-W544 HydrophobicContact CE2-CB 3.6Å; F539-W544 AromaticContact CE2-CD1 3.93Å; F539-W544 HydrophobicContact CE2-CD2 4.23Å; F539-W544 AromaticContact CE2-CG 3.63Å; F539-W544 HydrophobicContact CE2-CG 3.63Å; F539-W544 HydrophobicContact CZ-CG 4.42Å; D540-W544 WeakPolarHBondContact O-CB 3.23Å; D540-W544 PolarHBondContact O-N 2.83Å; S542-W544 VanDerWaalsContact C-N 3.34Å; S542-W544 PolarHBondContact O-N 2.97Å; W544-Q546 VanDerWaalsContact C-N 3.32Å; W544-Q546 PolarHBondContact O-N 3.45Å; W544-M547 HydrophobicContact CD2-CE 4.38Å; W544-M547 HydrophobicContact CE3-CE 3.61Å; W544-M547 HydrophobicContact CH2-CE 4.02Å; W544-M547 HydrophobicContact CZ3-CE 3.4Å; W544-M547 VanDerWaalsContact CZ3-CE 3.4Å; W544-M547 WeakPolarHBondContact O-CB 3.48Å; W544-M547 PolarHBondContact O-N 3.17Å; W544-L548 HydrophobicContact CZ2-CD2 4.34Å; W544-L548 WeakPolarHBondContact O-CG 3.31Å; W544-L548 PolarHBondContact O-N 3.28Å; W544-K565 PolarHBondContact NE1-O 2.81Å; W544-K565 VanDerWaalsContact NE1-O 3.12Å
545N80Confident72.9Confident24 Ų2469.1 Ų69.113%0.12841%0.409CS..Hα-helixtrans-65-37.7178-71.4-21.8000111.4E541 S542 L548 C549 T567E541-N545 WeakPolarHBondContact O-CB 3.45Å; E541-N545 VanDerWaalsContact O-CG 3.26Å; E541-N545 PolarHBondContact O-N 2.98Å; E541-N545 PolarHBondContact O-ND2 2.89Å; S542-N545 PolarHBondContact O-N 3.11Å; N545-L548 PolarHBondContact O-N 3.31Å; N545-C549 PolarHBondContact O-N 2.69Å; N545-C549 PolarHBondContact O-SG 2.75Å; N545-C549 VanDerWaalsContact O-SG 3.33Å; N545-T567 PolarHBondContact ND2-OG1 2.87Å; N545-T567 PolarHBondContact OD1-N 3.2Å; N545-T567 PolarHBondContact OD1-OG1 2.89Å
546Q75.7Confident71.4Confident133 Ų13373.7 Ų73.762%0.62143%0.432SS*.Hα-helixtrans-63.7-42.8173.9-165.6168.87.300111.7S542 A543 W544 L548 C549 T550S542-Q546 WeakPolarHBondContact O-CB 3.47Å; S542-Q546 PolarHBondContact O-N 2.97Å; A543-Q546 PolarHBondContact O-N 3.19Å; W544-Q546 VanDerWaalsContact C-N 3.32Å; W544-Q546 PolarHBondContact O-N 3.45Å; Q546-L548 PolarHBondContact O-N 2.88Å; Q546-C549 WeakPolarHBondContact O-CB 3.42Å; Q546-C549 PolarHBondContact O-N 2.87Å; Q546-T550 PolarHBondContact O-N 3.05Å; Q546-T550 PolarHBondContact O-OG1 3.47Å; Q546-T550 VanDerWaalsContact O-OG1 3.11Å
547M78.4Confident70.1Confident82 Ų8271.9 Ų71.940%0.40443%0.427SS..Hα-helixtrans-59.7-43.5173.1-174.1-174.778.400111.7A543 W544 C549 T550 L551A543-M547 WeakPolarHBondContact O-CB 3.3Å; A543-M547 PolarHBondContact O-N 3.15Å; W544-M547 HydrophobicContact CD2-CE 4.38Å; W544-M547 HydrophobicContact CE3-CE 3.61Å; W544-M547 HydrophobicContact CH2-CE 4.02Å; W544-M547 HydrophobicContact CZ3-CE 3.4Å; W544-M547 VanDerWaalsContact CZ3-CE 3.4Å; W544-M547 WeakPolarHBondContact O-CB 3.48Å; W544-M547 PolarHBondContact O-N 3.17Å; M547-C549 PolarHBondContact O-N 2.89Å; M547-T550 PolarHBondContact O-N 3.47Å; M547-L551 HydrophobicContact CE-CD1 4.13Å; M547-L551 HydrophobicContact CG-CD1 4.07Å; M547-L551 HydrophobicContact CG-CG 4.28Å; M547-L551 WeakPolarHBondContact O-CB 3.25Å; M547-L551 VanDerWaalsContact O-CG 3.29Å; M547-L551 WeakPolarHBondContact O-CG 3.47Å; M547-L551 PolarHBondContact O-N 3.07Å
548L76.9Confident69.4Low6 Ų671.1 Ų71.13%0.03143%0.43CS..Hα-helixtrans-61.7-42.2176.1-70.8175000112W544 N545 Q546 T550 L551 S552 I557 K565 N566W544-L548 HydrophobicContact CZ2-CD2 4.34Å; W544-L548 WeakPolarHBondContact O-CG 3.31Å; W544-L548 PolarHBondContact O-N 3.28Å; N545-L548 PolarHBondContact O-N 3.31Å; Q546-L548 PolarHBondContact O-N 2.88Å; L548-T550 VanDerWaalsContact C-N 3.35Å; L548-L551 PolarHBondContact O-N 3.42Å; L548-S552 VanDerWaalsContact O-CB 3.28Å; L548-S552 WeakPolarHBondContact O-CB 3.38Å; L548-S552 PolarHBondContact O-N 2.8Å; L548-I557 HydrophobicContact CD2-CD1 3.91Å; L548-K565 VanDerWaalsContact CD1-C 3.4Å; L548-K565 HydrophobicContact CD1-CB 3.78Å; L548-K565 VanDerWaalsContact CD1-O 3.26Å; L548-K565 WeakPolarHBondContact CD1-O 3.06Å; L548-K565 HydrophobicContact CD2-CB 3.9Å; L548-K565 HydrophobicContact CD2-CD 4.33Å; L548-N566 HydrophobicContact CD1-CB 4.35Å
549C74Confident68.8Low80 Ų8071.5 Ų71.554%0.54143%0.432SS..Hα-helixtrans-59.4-44.9173.6-70.30000111.5N545 Q546 M547 S552 G553N545-C549 PolarHBondContact O-N 2.69Å; N545-C549 PolarHBondContact O-SG 2.75Å; N545-C549 VanDerWaalsContact O-SG 3.33Å; Q546-C549 WeakPolarHBondContact O-CB 3.42Å; Q546-C549 PolarHBondContact O-N 2.87Å; M547-C549 PolarHBondContact O-N 2.89Å; C549-S552 PolarHBondContact O-N 3.3Å; C549-G553 PolarHBondContact O-N 3.23Å
550T72.1Confident68.4Low93 Ų9370.9 Ų70.957%0.57143%0.428SS*.Hα-helixtrans-64.3-45.8176.6-56.20000112.3Q546 M547 L548 S552 G553 A554Q546-T550 PolarHBondContact O-N 3.05Å; Q546-T550 PolarHBondContact O-OG1 3.47Å; Q546-T550 VanDerWaalsContact O-OG1 3.11Å; M547-T550 PolarHBondContact O-N 3.47Å; L548-T550 VanDerWaalsContact C-N 3.35Å; T550-S552 VanDerWaalsContact C-N 3.33Å; T550-S552 PolarHBondContact O-N 3.37Å; T550-G553 PolarHBondContact O-N 2.77Å; T550-A554 VanDerWaalsContact O-CB 3.29Å; T550-A554 WeakPolarHBondContact O-CB 3.27Å; T550-A554 PolarHBondContact O-N 2.92Å
551L67.3Low68.1Low51 Ų5167.7 Ų67.727%0.26741%0.413SS..Hα-helixtrans-63.7-38.7178.8-70.3174.4000112M547 L548 G555 L556 I557M547-L551 HydrophobicContact CE-CD1 4.13Å; M547-L551 HydrophobicContact CG-CD1 4.07Å; M547-L551 HydrophobicContact CG-CG 4.28Å; M547-L551 WeakPolarHBondContact O-CB 3.25Å; M547-L551 VanDerWaalsContact O-CG 3.29Å; M547-L551 WeakPolarHBondContact O-CG 3.47Å; M547-L551 PolarHBondContact O-N 3.07Å; L548-L551 PolarHBondContact O-N 3.42Å; L551-G555 PolarHBondContact O-N 2.89Å; L551-L556 HydrophobicContact CD2-CB 4.24Å; L551-L556 HydrophobicContact CD2-CD1 3.6Å; L551-L556 PolarHBondContact O-N 2.82Å; L551-I557 HydrophobicContact CB-CD1 3.8Å; L551-I557 HydrophobicContact CB-CG1 3.85Å; L551-I557 HydrophobicContact CB-CG2 4.42Å; L551-I557 PolarHBondContact O-N 2.87Å
552S67.9Low67.7Low30 Ų3062.6 Ų62.621%0.2139%0.391CS..Hα-helixtrans-68-45.3175.1-176.80000111.1L548 C549 T550 A554 G555L548-S552 VanDerWaalsContact O-CB 3.28Å; L548-S552 WeakPolarHBondContact O-CB 3.38Å; L548-S552 PolarHBondContact O-N 2.8Å; C549-S552 PolarHBondContact O-N 3.3Å; T550-S552 VanDerWaalsContact C-N 3.33Å; T550-S552 PolarHBondContact O-N 3.37Å; S552-A554 VanDerWaalsContact C-N 3.31Å; S552-A554 PolarHBondContact O-N 3.43Å; S552-G555 PolarHBondContact O-N 3.28Å
553G61.8Low67.4Low64 Ų6461.2 Ų61.266%0.6638%0.38SS*.Hα-helixtrans-61.2-36.6175.700000113.3C549 T550 G555C549-G553 PolarHBondContact O-N 3.23Å; T550-G553 PolarHBondContact O-N 2.77Å; G553-G555 PolarHBondContact O-N 3.31Å
554A61.7Low67.2Low68 Ų6864 Ų6456%0.56238%0.384SS*.THydrogen-bonded Turntrans-76.1-6.8173.500000113.8T550 S552 L556T550-A554 VanDerWaalsContact O-CB 3.29Å; T550-A554 WeakPolarHBondContact O-CB 3.27Å; T550-A554 PolarHBondContact O-N 2.92Å; S552-A554 VanDerWaalsContact C-N 3.31Å; S552-A554 PolarHBondContact O-N 3.43Å; A554-L556 VanDerWaalsContact C-N 3.28Å; A554-L556 HydrophobicContact CB-CD1 4.26Å; A554-L556 HydrophobicContact CB-CG 4.18Å; A554-L556 PolarHBondContact O-N 3.41Å
555G56.9Low67.1Low56 Ų5666.1 Ų66.158%0.57740%0.395SS*.THydrogen-bonded Turntrans72.813.6-178.200000115.1L551 S552 G553L551-G555 PolarHBondContact O-N 2.89Å; S552-G555 PolarHBondContact O-N 3.28Å; G553-G555 PolarHBondContact O-N 3.31Å
556L55.4Low66.9Low130 Ų13066.6 Ų66.668%0.68140%0.397SS*.SBendtrans-77.2-26.6178.4-66.7173.6000112.5L551 A554L551-L556 HydrophobicContact CD2-CB 4.24Å; L551-L556 HydrophobicContact CD2-CD1 3.6Å; L551-L556 PolarHBondContact O-N 2.82Å; A554-L556 VanDerWaalsContact C-N 3.28Å; A554-L556 HydrophobicContact CB-CD1 4.26Å; A554-L556 HydrophobicContact CB-CG 4.18Å; A554-L556 PolarHBondContact O-N 3.41Å
557I60.5Low66.8Low35 Ų3562.9 Ų62.918%0.17938%0.384CS..SBendtrans-125.5150.3170.363.9178.1000109L548 L551 T561L548-I557 HydrophobicContact CD2-CD1 3.91Å; L551-I557 HydrophobicContact CB-CD1 3.8Å; L551-I557 HydrophobicContact CB-CG1 3.85Å; L551-I557 HydrophobicContact CB-CG2 4.42Å; L551-I557 PolarHBondContact O-N 2.87Å; I557-T561 HydrophobicContact CB-CG2 4.12Å; I557-T561 HydrophobicContact CG2-CG2 4.29Å
558S65.2Low66.5Low62 Ų6264.3 Ų64.343%0.43440%0.397SS..  trans-68.5153.4171.364.30000110.1K560 T561 G562S558-K560 PolarHBondContact O-N 2.98Å; S558-T561 PolarHBondContact O-N 3.31Å; S558-T561 PolarHBondContact OG-N 2.63Å; S558-T561 VanDerWaalsContact OG-N 3.11Å; S558-T561 PolarHBondContact OG-OG1 3.2Å; S558-G562 PolarHBondContact O-N 3.46Å
559T60.3Low65.8Low67 Ų6765.8 Ų65.841%0.41141%0.408SS..Hα-helixtrans-52.4-39.3172-38.60000110.9T561 G562 V563T559-T561 PolarHBondContact O-N 2.84Å; T559-G562 PolarHBondContact O-N 2.79Å; T559-V563 WeakPolarHBondContact O-CG2 3.33Å; T559-V563 PolarHBondContact O-N 2.74Å
560K61Low64.6Low92 Ų9265.5 Ų65.540%0.440%0.403SS..Hα-helixtrans-52.6-54.3171.4174.5-178.2-171.8101.50112.1S558 G562 V563 E564 E574S558-K560 PolarHBondContact O-N 2.98Å; K560-G562 VanDerWaalsContact C-N 3.29Å; K560-G562 PolarHBondContact O-N 3.05Å; K560-V563 PolarHBondContact O-N 2.69Å; K560-E564 WeakPolarHBondContact CE-OE1 3.28Å; K560-E564 HydrophobicContact CG-CG 4.36Å; K560-E564 IonicContact NZ-OE1 3.9Å; K560-E564 WeakPolarHBondContact O-CB 3.45Å; K560-E564 VanDerWaalsContact O-CG 3.3Å; K560-E564 WeakPolarHBondContact O-CG 3.35Å; K560-E564 PolarHBondContact O-N 3.12Å; K560-E574 WeakPolarHBondContact CB-OE1 3.21Å; K560-E574 WeakPolarHBondContact CD-OE1 3.44Å; K560-E574 WeakPolarHBondContact CG-OE1 3.22Å; K560-E574 IonicContact NZ-OE1 2.79Å; K560-E574 PolarHBondContact NZ-OE1 3.39Å; K560-E574 IonicContact NZ-OE2 2.73Å; K560-E574 PolarHBondContact NZ-OE2 2.96Å
561T62.4Low63.5Low36 Ų3666.3 Ų66.322%0.22141%0.41CS..Hα-helixtrans-65.7-32.5179-62.70000112.4I557 S558 T559 K565I557-T561 HydrophobicContact CB-CG2 4.12Å; I557-T561 HydrophobicContact CG2-CG2 4.29Å; S558-T561 PolarHBondContact O-N 3.31Å; S558-T561 PolarHBondContact OG-N 2.63Å; S558-T561 VanDerWaalsContact OG-N 3.11Å; S558-T561 PolarHBondContact OG-OG1 3.2Å; T559-T561 PolarHBondContact O-N 2.84Å; T561-K565 HydrophobicContact CG2-CD 3.93Å; T561-K565 HydrophobicContact CG2-CG 4.4Å; T561-K565 VanDerWaalsContact O-CB 3.31Å; T561-K565 WeakPolarHBondContact O-CB 3.1Å; T561-K565 WeakPolarHBondContact O-CG 3.39Å; T561-K565 PolarHBondContact O-N 3.48Å; T561-K565 VanDerWaalsContact O-N 3.16Å
562G65.3Low62.4Low9 Ų969.4 Ų69.49%0.09343%0.427CS..Hα-helixtrans-61.4-49.4172.400000112.2S558 T559 K560 K565 N566S558-G562 PolarHBondContact O-N 3.46Å; T559-G562 PolarHBondContact O-N 2.79Å; K560-G562 VanDerWaalsContact C-N 3.29Å; K560-G562 PolarHBondContact O-N 3.05Å; G562-K565 PolarHBondContact O-N 3Å; G562-N566 VanDerWaalsContact O-CB 3.31Å; G562-N566 WeakPolarHBondContact O-CB 3.46Å; G562-N566 PolarHBondContact O-N 3.39Å; G562-N566 VanDerWaalsContact O-N 3.07Å
563V65.8Low61.4Low51 Ų5171.2 Ų71.231%0.30943%0.432SS..Hα-helixtrans-65.3-47.5177.5174.90000111.1T559 K560 K565 N566 S569T559-V563 WeakPolarHBondContact O-CG2 3.33Å; T559-V563 PolarHBondContact O-N 2.74Å; K560-V563 PolarHBondContact O-N 2.69Å; V563-K565 PolarHBondContact O-N 2.82Å; V563-N566 PolarHBondContact O-N 2.84Å; V563-S569 VanDerWaalsContact O-CB 3.24Å; V563-S569 WeakPolarHBondContact O-CB 3.33Å
564E66Low60.7Low111 Ų11172 Ų7252%0.51942%0.419SS..Hα-helixtrans-61.1-28.5179.9-75176.6162.700113.6K560K560-E564 WeakPolarHBondContact CE-OE1 3.28Å; K560-E564 HydrophobicContact CG-CG 4.36Å; K560-E564 IonicContact NZ-OE1 3.9Å; K560-E564 WeakPolarHBondContact O-CB 3.45Å; K560-E564 VanDerWaalsContact O-CG 3.3Å; K560-E564 WeakPolarHBondContact O-CG 3.35Å; K560-E564 PolarHBondContact O-N 3.12Å
565K73.4Confident59.6Low109 Ų10978.3 Ų78.347%0.47443%0.434SS..Hα-helixtrans-99.7-9.8-178.1-69.8-173.1174.8-178.50114.2W544 L548 T561 G562 V563W544-K565 PolarHBondContact NE1-O 2.81Å; W544-K565 VanDerWaalsContact NE1-O 3.12Å; L548-K565 VanDerWaalsContact CD1-C 3.4Å; L548-K565 HydrophobicContact CD1-CB 3.78Å; L548-K565 VanDerWaalsContact CD1-O 3.26Å; L548-K565 WeakPolarHBondContact CD1-O 3.06Å; L548-K565 HydrophobicContact CD2-CB 3.9Å; L548-K565 HydrophobicContact CD2-CD 4.33Å; T561-K565 HydrophobicContact CG2-CD 3.93Å; T561-K565 HydrophobicContact CG2-CG 4.4Å; T561-K565 VanDerWaalsContact O-CB 3.31Å; T561-K565 WeakPolarHBondContact O-CB 3.1Å; T561-K565 WeakPolarHBondContact O-CG 3.39Å; T561-K565 PolarHBondContact O-N 3.48Å; T561-K565 VanDerWaalsContact O-N 3.16Å; G562-K565 PolarHBondContact O-N 3Å; V563-K565 PolarHBondContact O-N 2.82Å
566N76.6Confident58.4Low34 Ų3478.6 Ų78.618%0.18242%0.422CS..  trans-68134.6178.6-177-48.4000109.2L548 G562 V563 V568 S569L548-N566 HydrophobicContact CD1-CB 4.35Å; G562-N566 VanDerWaalsContact O-CB 3.31Å; G562-N566 WeakPolarHBondContact O-CB 3.46Å; G562-N566 PolarHBondContact O-N 3.39Å; G562-N566 VanDerWaalsContact O-N 3.07Å; V563-N566 PolarHBondContact O-N 2.84Å; N566-V568 PolarHBondContact O-N 2.8Å; N566-V568 WeakPolarHBondContact OD1-CG2 3.4Å; N566-V568 PolarHBondContact OD1-N 3.47Å; N566-S569 PolarHBondContact OD1-N 3.4Å
567T72.9Confident57.4Low54 Ų5473.8 Ų73.833%0.33140%0.397SS..SBendtrans-72.2-12.9-176.264.90000113.9F539 E541 N545F539-T567 HydrophobicContact CE2-CG2 4.14Å; F539-T567 HydrophobicContact CZ-CG2 4.27Å; E541-T567 HydrophobicContact CB-CG2 4.41Å; E541-T567 HydrophobicContact CG-CG2 4.25Å; N545-T567 PolarHBondContact ND2-OG1 2.87Å; N545-T567 PolarHBondContact OD1-N 3.2Å; N545-T567 PolarHBondContact OD1-OG1 2.89Å
568V73.1Confident56Low112 Ų11279.5 Ų79.568%0.67942%0.418SS*.SBendtrans-110.5-14.7-179.8-640000114.9N566N566-V568 PolarHBondContact O-N 2.8Å; N566-V568 WeakPolarHBondContact OD1-CG2 3.4Å; N566-V568 PolarHBondContact OD1-N 3.47Å
569S61.5Low54.7Low38 Ų3879.8 Ų79.827%0.26642%0.415SS..  trans-79146.4-178.3-69.60000113.3V563 N566V563-S569 VanDerWaalsContact O-CB 3.24Å; V563-S569 WeakPolarHBondContact O-CB 3.33Å; N566-S569 PolarHBondContact OD1-N 3.4Å
570T49.6Very low53.8Low73 Ų7384.9 Ų84.945%0.44843%0.434SS..  trans-107136.4174.563.80000112.2D572 E573T570-D572 VanDerWaalsContact C-N 3.28Å; T570-D572 WeakPolarHBondContact CB-OD1 3.4Å; T570-D572 PolarHBondContact O-N 2.72Å; T570-D572 PolarHBondContact OG1-OD1 2.93Å; T570-E573 PolarHBondContact O-N 2.77Å
571P49.8Very low52.9Low110 Ų11087.4 Ų87.471%0.71445%0.452SS*.G310 helixtrans-65.4-17.9-171.7-23.433.1000116.8E573P571-E573 VanDerWaalsContact C-N 3.26Å; P571-E573 PolarHBondContact O-N 2.89Å
572D44.4Very low51.9Low117 Ų11790.2 Ų90.263%0.62647%0.469SS*.G310 helixtrans-73.6-11.4-177.853.1-34000114.2T570 E574T570-D572 VanDerWaalsContact C-N 3.28Å; T570-D572 WeakPolarHBondContact CB-OD1 3.4Å; T570-D572 PolarHBondContact O-N 2.72Å; T570-D572 PolarHBondContact OG1-OD1 2.93Å; D572-E574 PolarHBondContact O-N 3.29Å
573E45.3Very low50.5Low67 Ų6792.8 Ų92.831%0.31350%0.495SS..G310 helixtrans-64.3-22.3174.2-66.8-170.8134.400113.3T570 P571 W657T570-E573 PolarHBondContact O-N 2.77Å; P571-E573 VanDerWaalsContact C-N 3.26Å; P571-E573 PolarHBondContact O-N 2.89Å; E573-W657 HydrophobicContact CB-CH2 4.34Å; E573-W657 HydrophobicContact CG-CH2 4.12Å; E573-W657 HydrophobicContact CG-CZ3 4.49Å
574E46.8Very low49Very low82 Ų8295 Ų9538%0.38351%0.506SS..G310 helixtrans-85.2-26.9-174.8-148.2-171.6-164.700114.5K560 D572 L576 T577K560-E574 WeakPolarHBondContact CB-OE1 3.21Å; K560-E574 WeakPolarHBondContact CD-OE1 3.44Å; K560-E574 WeakPolarHBondContact CG-OE1 3.22Å; K560-E574 IonicContact NZ-OE1 2.79Å; K560-E574 PolarHBondContact NZ-OE1 3.39Å; K560-E574 IonicContact NZ-OE2 2.73Å; K560-E574 PolarHBondContact NZ-OE2 2.96Å; D572-E574 PolarHBondContact O-N 3.29Å; E574-L576 PolarHBondContact O-N 3.32Å; E574-T577 PolarHBondContact O-N 2.79Å; E574-T577 PolarHBondContact O-OG1 3.48Å; E574-T577 VanDerWaalsContact O-OG1 3.13Å
575K38.7Very low47.5Very low200 Ų20096.5 Ų96.587%0.8751%0.513SS*.G310 helixtrans-64.1-2.7-175.1-133.8179.8-170.7176.80114.1
576L31.8Very low45.6Very low62 Ų6293.6 Ų93.633%0.32550%0.502SS..G310 helixtrans-92.15.4178.1-81.2154.3000114.9E574 E623 P624 W657E574-L576 PolarHBondContact O-N 3.32Å; L576-E623 HydrophobicContact CD2-CG 4.28Å; L576-P624 HydrophobicContact CB-CG 3.81Å; L576-P624 HydrophobicContact CD1-CG 4.17Å; L576-W657 HydrophobicContact CD1-CH2 4.05Å; L576-W657 HydrophobicContact CD1-CZ2 3.11Å
577T36.1Very low43.7Very low28 Ų2899 Ų9917%0.17253%0.529CS..SBendtrans-120.312.6-172.861.10000117.2E574 P624 Q626E574-T577 PolarHBondContact O-N 2.79Å; E574-T577 PolarHBondContact O-OG1 3.48Å; E574-T577 VanDerWaalsContact O-OG1 3.13Å; T577-P624 HydrophobicContact CG2-CB 4.42Å; T577-Q626 HydrophobicContact CG2-CG 4.14Å; T577-Q626 PolarHBondContact OG1-NE2 3.06Å
578Y30.8Very low42Very low155 Ų15598.2 Ų98.261%0.60853%0.532SS*.  trans-143.7125.6177.6-156.1-92.2000111.8
579D37.1Very low40.8Very low68 Ų6893.2 Ų93.236%0.36450%0.501SS..  trans-108113.9176.6178.92.6000108.6N581 I586D579-N581 PolarHBondContact O-N 2.83Å; D579-N581 WeakPolarHBondContact OD1-CB 3.13Å; D579-N581 PolarHBondContact OD1-N 2.82Å; D579-N581 PolarHBondContact OD1-ND2 3.48Å; D579-I586 HydrophobicContact CB-CD1 3.73Å; D579-I586 HydrophobicContact CB-CG1 3.73Å; D579-I586 VanDerWaalsContact N-CG1 3.35Å
580E40.9Very low40.4Very low174 Ų17496 Ų9681%0.81351%0.508SS*.THydrogen-bonded Turntrans-68-15.3-175.5-60.9-174.5159.800113.5
581N43.2Very low40.7Very low145 Ų14595 Ų9578%0.77550%0.503SS*.THydrogen-bonded Turntrans-79.8-19.9-170.7-68-60.1000115.3D579D579-N581 PolarHBondContact O-N 2.83Å; D579-N581 WeakPolarHBondContact OD1-CB 3.13Å; D579-N581 PolarHBondContact OD1-N 2.82Å; D579-N581 PolarHBondContact OD1-ND2 3.48Å
582T41.8Very low40.9Very low95 Ų9592.1 Ų92.158%0.58349%0.486SS*.SBendtrans-119.1-1.8-174.558.10000115.7N584T582-N584 PolarHBondContact O-N 2.66Å
583G35.7Very low41.5Very low63 Ų6396.3 Ų96.365%0.64950%0.502SS*.SBendtrans62.56.8170.200000115.6
584N32.9Very low42.3Very low98 Ų9897.7 Ų97.752%0.52453%0.525SS..SBendtrans-100.4149.3165.8-70.5-30.6000107.4T582 I586 I587T582-N584 PolarHBondContact O-N 2.66Å; N584-I586 PolarHBondContact O-N 2.98Å; N584-I587 HydrophobicContact CB-CD1 4.49Å
585E35.1Very low43Very low143 Ų14396.5 Ų96.567%0.66852%0.521SS*.  trans-40.2136.6151.1-72.5177.5161.100106.6I587E585-I587 WeakPolarHBondContact O-CG1 3.38Å; E585-I587 PolarHBondContact O-N 2.91Å
586I34.2Very low44.1Very low48 Ų4890.9 Ų90.925%0.24651%0.505CS..  trans-61.495.7177.3-60.1167.9000107.2D579 N584 G588 L589D579-I586 HydrophobicContact CB-CD1 3.73Å; D579-I586 HydrophobicContact CB-CG1 3.73Å; D579-I586 VanDerWaalsContact N-CG1 3.35Å; N584-I586 PolarHBondContact O-N 2.98Å; I586-G588 VanDerWaalsContact CG2-N 3.27Å; I586-G588 PolarHBondContact O-N 2.94Å; I586-G588 VanDerWaalsContact O-N 3.1Å; I586-L589 HydrophobicContact CB-CB 4.4Å; I586-L589 HydrophobicContact CB-CD1 3.85Å; I586-L589 HydrophobicContact CB-CG 4.09Å; I586-L589 HydrophobicContact CD1-CD1 3.43Å; I586-L589 VanDerWaalsContact CD1-CD1 3.43Å; I586-L589 HydrophobicContact CD1-CG 4.12Å; I586-L589 HydrophobicContact CG1-CD1 4.24Å; I586-L589 HydrophobicContact CG2-CB 4Å; I586-L589 HydrophobicContact CG2-CD1 3.98Å; I586-L589 HydrophobicContact CG2-CG 3.66Å; I586-L589 PolarHBondContact O-N 3.02Å
587I35.9Very low45.9Very low148 Ų14889.1 Ų89.176%0.75950%0.5SS*.THydrogen-bonded Turntrans-68.3-0.1167.4-61.8171.8000108.8N584 E585N584-I587 HydrophobicContact CB-CD1 4.49Å; E585-I587 WeakPolarHBondContact O-CG1 3.38Å; E585-I587 PolarHBondContact O-N 2.91Å
588G36.8Very low47.8Very low37 Ų3792 Ų9238%0.38151%0.513SS..THydrogen-bonded Turntrans-98.23.5178.100000116.9I586I586-G588 VanDerWaalsContact CG2-N 3.27Å; I586-G588 PolarHBondContact O-N 2.94Å; I586-G588 VanDerWaalsContact O-N 3.1Å
589L48Very low49.9Very low7 Ų788.5 Ų88.54%0.03751%0.508CS..SBendtrans-99.2-6.2-170.7-94.4171.1000114.7I586 E623 L625 Q626I586-L589 HydrophobicContact CB-CB 4.4Å; I586-L589 HydrophobicContact CB-CD1 3.85Å; I586-L589 HydrophobicContact CB-CG 4.09Å; I586-L589 HydrophobicContact CD1-CD1 3.43Å; I586-L589 VanDerWaalsContact CD1-CD1 3.43Å; I586-L589 HydrophobicContact CD1-CG 4.12Å; I586-L589 HydrophobicContact CG1-CD1 4.24Å; I586-L589 HydrophobicContact CG2-CB 4Å; I586-L589 HydrophobicContact CG2-CD1 3.98Å; I586-L589 HydrophobicContact CG2-CG 3.66Å; I586-L589 PolarHBondContact O-N 3.02Å; L589-E623 HydrophobicContact CD2-CB 3.71Å; L589-E623 VanDerWaalsContact CD2-OE2 3.24Å; L589-E623 WeakPolarHBondContact CD2-OE2 3.36Å; L589-L625 WeakPolarHBondContact O-CD2 3.49Å; L589-Q626 HydrophobicContact CB-CG 4.49Å; L589-Q626 HydrophobicContact CD1-CG 4.41Å
590F53.3Low52Low95 Ų9586.4 Ų86.442%0.41750%0.498SS..SBendtrans-82.1146.4158.1-147.2-110.4000108.3S592 W627 E631F590-S592 PolarHBondContact O-N 2.98Å; F590-W627 HydrophobicContact CE2-CE3 4.33Å; F590-W627 HydrophobicContact CE2-CH2 4.47Å; F590-W627 HydrophobicContact CE2-CZ3 4.15Å; F590-W627 HydrophobicContact CZ-CZ3 4.43Å; F590-E631 HydrophobicContact CD2-CG 4.2Å; F590-E631 HydrophobicContact CE1-CG 4.2Å; F590-E631 HydrophobicContact CE2-CB 4.17Å; F590-E631 HydrophobicContact CE2-CG 3.57Å; F590-E631 HydrophobicContact CZ-CB 3.82Å; F590-E631 HydrophobicContact CZ-CG 3.56Å
591P56Low54Low53 Ų5379.2 Ų79.234%0.34447%0.467SS..  trans-51.1128.1-171.4-2837000112.3N595 A597 L625P591-N595 WeakPolarHBondContact CA-O 3.21Å; P591-A597 HydrophobicContact CB-CB 3.94Å; P591-A597 HydrophobicContact CG-CB 3.41Å; P591-A597 VanDerWaalsContact CG-CB 3.41Å; P591-L625 HydrophobicContact CG-CD2 4.12Å
592S54.8Low56Low50 Ų5075.3 Ų75.335%0.3544%0.442SS..BIsolated β-bridgetrans-122.2165.4176.566.10000109.9F590 A594 N595 P596F590-S592 PolarHBondContact O-N 2.98Å; S592-A594 PolarHBondContact O-N 3.31Å; S592-N595 PolarHBondContact N-O 3.06Å; S592-N595 VanDerWaalsContact N-O 3.16Å; S592-N595 CarbonylContact O-C 3.5Å; S592-N595 PolarHBondContact O-N 2.92Å; S592-N595 PolarHBondContact OG-N 2.94Å; S592-P596 WeakPolarHBondContact O-CA 3.3Å; S592-P596 VanDerWaalsContact O-N 3.13Å
593E56.6Low58.2Low204 Ų20472.2 Ų72.295%0.95342%0.423SS*.THydrogen-bonded Turntrans-53.9-29.4174-77-169.6161.500112.6
594A61.2Low60.7Low97 Ų9770 Ų7080%0.80240%0.395SS*.THydrogen-bonded Turntrans-82.4-27178.300000113.7S592S592-A594 PolarHBondContact O-N 3.31Å
595N62.4Low63.4Low56 Ų5667.6 Ų67.630%0.29938%0.382SS..BIsolated β-bridgetrans-137.174.2179-156.518.9000110P591 S592 S622P591-N595 WeakPolarHBondContact CA-O 3.21Å; S592-N595 PolarHBondContact N-O 3.06Å; S592-N595 VanDerWaalsContact N-O 3.16Å; S592-N595 CarbonylContact O-C 3.5Å; S592-N595 PolarHBondContact O-N 2.92Å; S592-N595 PolarHBondContact OG-N 2.94Å; N595-S622 VanDerWaalsContact CG-OG 3.23Å; N595-S622 PolarHBondContact ND2-OG 3.31Å; N595-S622 PolarHBondContact OD1-OG 3.05Å
596P60.8Low65.6Low82 Ų8261 Ų6153%0.53235%0.352SS..  trans-72.8140.3-176.128.1-33.5000110.7S592S592-P596 WeakPolarHBondContact O-CA 3.3Å; S592-P596 VanDerWaalsContact O-N 3.13Å
597A71.5Confident67.9Low26 Ų2665 Ų6522%0.21537%0.367CS..  trans-87.3141.4164.200000109.7P591 I619 Y620P591-A597 HydrophobicContact CB-CB 3.94Å; P591-A597 HydrophobicContact CG-CB 3.41Å; P591-A597 VanDerWaalsContact CG-CB 3.41Å; A597-I619 HydrophobicContact CB-CG2 3.61Å; A597-Y620 CarbonylContact C-O 3.52Å; A597-Y620 WeakPolarHBondContact CA-O 3.2Å
598I75.3Confident69.9Low89 Ų8959.3 Ų59.346%0.45634%0.336SS..EExtended strand (participates in β ladder)trans-99.5110.8-179.8-52-172.1000107.6S600 Y620 M656I598-S600 PolarHBondContact O-N 3.44Å; I598-S600 VanDerWaalsContact O-N 3.09Å; I598-Y620 PolarHBondContact N-O 3.24Å; I598-Y620 PolarHBondContact O-N 3.36Å; I598-M656 HydrophobicContact CB-CE 4.29Å; I598-M656 HydrophobicContact CD1-CE 3.48Å; I598-M656 VanDerWaalsContact CD1-CE 3.48Å; I598-M656 HydrophobicContact CG1-CE 3.98Å
599V75.1Confident71.5Confident81 Ų8158.6 Ų58.649%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-71.8101.9165.9-176.70000106.8Y602 A617 I619V599-Y602 HydrophobicContact CG1-CD1 4.2Å; V599-A617 HydrophobicContact CG1-CB 4.44Å; V599-I619 HydrophobicContact CG2-CG1 4.48Å
600S80.1Confident72.3Confident23 Ų2359.3 Ų59.316%0.16133%0.332CS..EExtended strand (participates in β ladder)trans-79.6-31.4-178.8173.10000112.1I598 T618 N1420I598-S600 PolarHBondContact O-N 3.44Å; I598-S600 VanDerWaalsContact O-N 3.09Å; S600-T618 PolarHBondContact N-O 3.35Å; S600-N1420 PolarHBondContact O-OD1 3.47Å; S600-N1420 PolarHBondContact OG-ND2 2.99Å
601S82.9Confident73Confident23 Ų2356.4 Ų56.416%0.16133%0.329CS..EExtended strand (participates in β ladder)trans-157155.9171.460.70000110.5A617 T618 V1418S601-A617 CarbonylContact O-C 3.49Å; S601-A617 WeakPolarHBondContact O-CA 3.48Å; S601-T618 PolarHBondContact O-N 3.14Å; S601-T618 WeakPolarHBondContact OG-CB 3.08Å; S601-T618 PolarHBondContact OG-OG1 3.39Å; S601-V1418 CarbonylContact C-O 3.55Å; S601-V1418 WeakPolarHBondContact CA-O 3.3Å; S601-V1418 WeakPolarHBondContact CB-O 3.44Å
602Y85.7Confident74.1Confident63 Ų6354.7 Ų54.725%0.24732%0.32CS..EExtended strand (participates in β ladder)trans-143151.7166.567.8-90.9000110.5V599 L615 T616 Y635 K1417 V1418V599-Y602 HydrophobicContact CG1-CD1 4.2Å; Y602-L615 HydrophobicContact CD2-CD1 4.47Å; Y602-L615 HydrophobicContact CD2-CG 4.44Å; Y602-T616 CarbonylContact C-O 3.59Å; Y602-T616 VanDerWaalsContact CA-O 3.28Å; Y602-T616 WeakPolarHBondContact CA-O 3.39Å; Y602-Y635 HydrophobicContact CE2-CD2 4.43Å; Y602-Y635 AromaticContact CE2-CE2 3.91Å; Y602-Y635 HydrophobicContact CE2-CE2 3.91Å; Y602-K1417 CarbonylContact O-C 3.58Å; Y602-K1417 VanDerWaalsContact O-CA 3.31Å; Y602-K1417 WeakPolarHBondContact O-CA 3.45Å; Y602-V1418 HydrophobicContact CD1-CB 4.02Å; Y602-V1418 HydrophobicContact CE1-CB 3.53Å; Y602-V1418 HydrophobicContact CE1-CG1 3.97Å; Y602-V1418 HydrophobicContact CE1-CG2 3.87Å; Y602-V1418 HydrophobicContact CE2-CB 4.29Å; Y602-V1418 HydrophobicContact CE2-CG2 3.96Å; Y602-V1418 VanDerWaalsContact CZ-CG2 3.45Å; Y602-V1418 PolarHBondContact N-O 2.94Å; Y602-V1418 PolarHBondContact O-N 3.24Å; Y602-V1418 WeakPolarHBondContact OH-CG2 3.42Å
603T88.5Confident75.5Confident31 Ų3152.6 Ų52.619%0.1931%0.305CS..EExtended strand (participates in β ladder)trans-124.3118.5175.3-48.50000107.9L615 T616 S1415 V1416 K1417T603-L615 CarbonylContact O-C 3.51Å; T603-L615 WeakPolarHBondContact O-CA 3.4Å; T603-T616 PolarHBondContact N-O 3.36Å; T603-T616 PolarHBondContact O-N 3.19Å; T603-S1415 WeakPolarHBondContact CG2-OG 3.08Å; T603-V1416 CarbonylContact C-O 3.48Å; T603-V1416 VanDerWaalsContact CA-O 3.23Å; T603-V1416 WeakPolarHBondContact CA-O 3.12Å; T603-K1417 HydrophobicContact CG2-CB 4.33Å
604Y88.8Confident77Confident17 Ų1744.6 Ų44.67%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-96.1126.3171.6170.1-103000108.7A606 P613 T614 Y635 F640 Y1414 S1415 V1416Y604-A606 HydrophobicContact CE1-CB 3.67Å; Y604-A606 WeakPolarHBondContact OH-CB 3.49Å; Y604-P613 HydrophobicContact CE2-CB 4.11Å; Y604-T614 WeakPolarHBondContact CA-O 3.43Å; Y604-Y635 AromaticContact CD1-CE1 3.73Å; Y604-Y635 HydrophobicContact CD1-CE1 3.73Å; Y604-Y635 AromaticContact CD2-CD1 3.55Å; Y604-Y635 HydrophobicContact CD2-CD1 3.55Å; Y604-Y635 AromaticContact CD2-CE1 3.5Å; Y604-Y635 HydrophobicContact CD2-CE1 3.5Å; Y604-Y635 HydrophobicContact CE1-CE1 4.04Å; Y604-Y635 AromaticContact CE2-CD1 3.77Å; Y604-Y635 HydrophobicContact CE2-CD1 3.77Å; Y604-Y635 AromaticContact CE2-CE1 3.84Å; Y604-Y635 HydrophobicContact CE2-CE1 3.84Å; Y604-Y635 AromaticContact CG-CD1 3.97Å; Y604-Y635 HydrophobicContact CG-CD1 3.97Å; Y604-Y635 AromaticContact CG-CE1 3.43Å; Y604-Y635 HydrophobicContact CG-CE1 3.43Å; Y604-Y635 VanDerWaalsContact CG-CE1 3.43Å; Y604-F640 HydrophobicContact CD2-CE1 4.49Å; Y604-F640 HydrophobicContact CD2-CZ 4.32Å; Y604-F640 HydrophobicContact CE2-CE1 4.04Å; Y604-F640 AromaticContact CE2-CZ 3.68Å; Y604-F640 HydrophobicContact CE2-CZ 3.68Å; Y604-Y1414 HydrophobicContact CD1-CD1 4.04Å; Y604-Y1414 HydrophobicContact CD1-CE1 4.03Å; Y604-Y1414 AromaticContact CE1-CD1 3.87Å; Y604-Y1414 HydrophobicContact CE1-CD1 3.87Å; Y604-Y1414 HydrophobicContact CE1-CE1 4.03Å; Y604-S1415 CarbonylContact O-C 3.46Å; Y604-S1415 WeakPolarHBondContact O-CA 3.11Å; Y604-V1416 PolarHBondContact N-O 3.41Å; Y604-V1416 PolarHBondContact O-N 3.24Å
605D87.6Confident78.2Confident47 Ų4740.4 Ų40.425%0.25123%0.234SC..EExtended strand (participates in β ladder)trans-122.8126.8177.5-74.6-67.2000110.2P613 T614 Y1414 S1415D605-P613 WeakPolarHBondContact O-CA 2.92Å; D605-P613 WeakPolarHBondContact O-CB 3.22Å; D605-T614 PolarHBondContact N-O 2.8Å; D605-T614 PolarHBondContact O-N 3.1Å; D605-Y1414 WeakPolarHBondContact CA-O 3.49Å; D605-S1415 WeakPolarHBondContact OD1-CB 3.2Å; D605-S1415 PolarHBondContact OD1-OG 2.77Å
606A83.3Confident79.4Confident3 Ų340 Ų403%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-137.5134.6177.600000111.7Y604 P613 N1413 Y1414Y604-A606 HydrophobicContact CE1-CB 3.67Å; Y604-A606 WeakPolarHBondContact OH-CB 3.49Å; A606-P613 HydrophobicContact CB-CB 3.96Å; A606-N1413 PolarHBondContact O-OD1 2.93Å; A606-N1413 VanDerWaalsContact O-OD1 3.14Å; A606-Y1414 PolarHBondContact N-O 3.26Å; A606-Y1414 PolarHBondContact O-N 3.05Å
607K81.4Confident80.5Confident132 Ų13236.2 Ų36.257%0.57421%0.209SC*.EExtended strand (participates in β ladder)trans-104.8138.3177.8-68.2-177.5179.1-178.10110.8M609 G610 N1413K607-M609 PolarHBondContact O-N 3.46Å; K607-G610 PolarHBondContact O-N 3.39Å; K607-N1413 WeakPolarHBondContact CG-OD1 3.39Å
608R78.8Confident81.2Confident29 Ų2935.8 Ų35.811%0.10920%0.204CC..THydrogen-bonded Turntrans-67.5129.8174.3-166173.7-144.8-176.94.3110.6G610 V780 E1386 N1387 S1412 L1434R608-G610 PolarHBondContact O-N 3.44Å; R608-V780 PolarHBondContact NH2-O 3.25Å; R608-V780 VanDerWaalsContact NH2-O 3.14Å; R608-E1386 HydrophobicContact CB-CB 4.34Å; R608-E1386 WeakPolarHBondContact CB-O 3.29Å; R608-E1386 WeakPolarHBondContact CD-O 3.32Å; R608-E1386 WeakPolarHBondContact CG-O 3.13Å; R608-E1386 PolarHBondContact NE-O 3.12Å; R608-N1387 PolarHBondContact NE-OD1 3.18Å; R608-N1387 VanDerWaalsContact NE-OD1 3.11Å; R608-N1387 VanDerWaalsContact NH2-CA 3.31Å; R608-N1387 PolarHBondContact NH2-O 3.5Å; R608-S1412 PolarHBondContact N-O 3.01Å; R608-L1434 VanDerWaalsContact NH1-CD1 3.25Å
609M69.8Low81.7Confident23 Ų2332.1 Ų32.111%0.11319%0.185CC..THydrogen-bonded Turntrans52.916.4-178.7-67.1-179.8-65.500114.3K607 N761 Y768 L1434K607-M609 PolarHBondContact O-N 3.46Å; M609-N761 HydrophobicContact SD-CB 4.44Å; M609-Y768 HydrophobicContact CB-CE1 4.17Å; M609-Y768 HydrophobicContact CB-CE2 4Å; M609-Y768 HydrophobicContact CG-CD1 4.27Å; M609-Y768 HydrophobicContact CG-CD2 4.25Å; M609-Y768 HydrophobicContact CG-CE1 4.12Å; M609-Y768 HydrophobicContact CG-CE2 4.07Å; M609-Y768 HydrophobicContact CG-CG 4.34Å; M609-Y768 WeakPolarHBondContact CG-O 3.43Å; M609-Y768 PolarHBondContact O-OH 3.1Å; M609-Y768 HydrophobicContact SD-CD1 4.14Å; M609-Y768 HydrophobicContact SD-CE1 4.17Å; M609-L1434 HydrophobicContact CE-CB 4.33Å
610G65.1Low82.1Confident21 Ų2130 Ų3022%0.21617%0.169CC..  trans-110.1-168-170.400000114K607 R608K607-G610 PolarHBondContact O-N 3.39Å; R608-G610 PolarHBondContact O-N 3.44Å
611G66.5Low81.9Confident35 Ų3529.2 Ų29.236%0.36116%0.163SC..SBendtrans-57.9171.5-177.800000114.7
612A79.2Confident81.4Confident17 Ų1730.2 Ų30.214%0.1417%0.17CC..PPolyproline II helixtrans-54.8127.6-174.800000111.9T664 R667 E668A612-T664 HydrophobicContact CB-CG2 3.77Å; A612-R667 HydrophobicContact CB-CB 3.88Å; A612-E668 HydrophobicContact CB-CB 4.23Å
613P84.1Confident80.7Confident5 Ų530.7 Ų30.73%0.03218%0.175CC..PPolyproline II helixtrans-63.9152.9177.124.6-31.5000110.5Y604 D605 A606 F640 S665 R667Y604-P613 HydrophobicContact CE2-CB 4.11Å; D605-P613 WeakPolarHBondContact O-CA 2.92Å; D605-P613 WeakPolarHBondContact O-CB 3.22Å; A606-P613 HydrophobicContact CB-CB 3.96Å; P613-F640 HydrophobicContact CB-CE1 3.93Å; P613-F640 HydrophobicContact CB-CZ 4.41Å; P613-F640 HydrophobicContact CG-CE1 3.9Å; P613-F640 HydrophobicContact CG-CZ 4.18Å; P613-F640 WeakPolarHBondContact O-CD1 3.36Å; P613-F640 VanDerWaalsContact O-CE1 3.3Å; P613-F640 WeakPolarHBondContact O-CE1 3.47Å; P613-S665 PolarHBondContact O-N 2.63Å; P613-R667 VanDerWaalsContact CD-CZ 3.49Å
614T88.6Confident80Confident36 Ų3629.8 Ų29.822%0.22117%0.169CC..EExtended strand (participates in β ladder)trans-128.3145.5-174.353.50000111.3Y604 D605 T662 F663 T664Y604-T614 WeakPolarHBondContact CA-O 3.43Å; D605-T614 PolarHBondContact N-O 2.8Å; D605-T614 PolarHBondContact O-N 3.1Å; T614-T662 HydrophobicContact CG2-CG2 3.93Å; T614-F663 CarbonylContact C-O 3.58Å; T614-F663 WeakPolarHBondContact CA-O 3.17Å; T614-T664 HydrophobicContact CG2-CG2 4.1Å
615L86.7Confident79.1Confident10 Ų1029.7 Ų29.75%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-121.2106.9172.9-168.3153.8000108.7Y602 T603 A617 V633 Y635 F640 F663Y602-L615 HydrophobicContact CD2-CD1 4.47Å; Y602-L615 HydrophobicContact CD2-CG 4.44Å; T603-L615 CarbonylContact O-C 3.51Å; T603-L615 WeakPolarHBondContact O-CA 3.4Å; L615-A617 HydrophobicContact CD2-CB 4.05Å; L615-V633 HydrophobicContact CD1-CG2 4.3Å; L615-V633 HydrophobicContact CD2-CG2 4.22Å; L615-Y635 HydrophobicContact CD1-CD1 4.39Å; L615-Y635 HydrophobicContact CD1-CD2 4.08Å; L615-Y635 HydrophobicContact CD1-CG 3.78Å; L615-F640 HydrophobicContact CB-CD1 4.24Å; L615-F640 HydrophobicContact CB-CG 4.34Å; L615-F663 HydrophobicContact CB-CB 4.47Å; L615-F663 HydrophobicContact CD2-CD2 4.23Å; L615-F663 PolarHBondContact N-O 2.73Å; L615-F663 PolarHBondContact O-N 3.48Å
616T87.2Confident78.2Confident46 Ų4632.4 Ų32.428%0.28218%0.181SC..EExtended strand (participates in β ladder)trans-96.9110.8178.7-58.60000110.2Y602 T603 I661 T662Y602-T616 CarbonylContact C-O 3.59Å; Y602-T616 VanDerWaalsContact CA-O 3.28Å; Y602-T616 WeakPolarHBondContact CA-O 3.39Å; T603-T616 PolarHBondContact N-O 3.36Å; T603-T616 PolarHBondContact O-N 3.19Å; T616-I661 CarbonylContact C-O 3.58Å; T616-I661 WeakPolarHBondContact CA-O 3.37Å; T616-T662 WeakPolarHBondContact OG1-CG2 3.38Å; T616-T662 PolarHBondContact OG1-OG1 3.08Å
617A85.2Confident77.6Confident4 Ų433.5 Ų33.53%0.03318%0.184CC..EExtended strand (participates in β ladder)trans-111.6141.8-177.200000112.4V599 S601 L615 I619 E660 I661 F663V599-A617 HydrophobicContact CG1-CB 4.44Å; S601-A617 CarbonylContact O-C 3.49Å; S601-A617 WeakPolarHBondContact O-CA 3.48Å; L615-A617 HydrophobicContact CD2-CB 4.05Å; A617-I619 HydrophobicContact CB-CD1 4.47Å; A617-I619 HydrophobicContact CB-CG1 4.09Å; A617-E660 WeakPolarHBondContact O-CA 3.3Å; A617-I661 HydrophobicContact CB-CG2 4.33Å; A617-I661 PolarHBondContact N-O 3.02Å; A617-I661 PolarHBondContact O-N 2.88Å; A617-F663 HydrophobicContact CB-CE2 4.33Å
618T85.9Confident77Confident16 Ų1635 Ų3510%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-96.3110.7163.2-61.20000108.8S600 S601 Y620 K658 S659S600-T618 PolarHBondContact N-O 3.35Å; S601-T618 PolarHBondContact O-N 3.14Å; S601-T618 WeakPolarHBondContact OG-CB 3.08Å; S601-T618 PolarHBondContact OG-OG1 3.39Å; T618-Y620 HydrophobicContact CG2-CD2 4.1Å; T618-Y620 HydrophobicContact CG2-CE2 3.55Å; T618-K658 HydrophobicContact CG2-CD 4.09Å; T618-K658 HydrophobicContact CG2-CG 3.62Å; T618-S659 WeakPolarHBondContact CA-O 3.48Å
619I84.2Confident76.5Confident13 Ų1338.4 Ų38.47%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-108.6124.6-177.6-54.4178.6000108.8A597 V599 A617 L625 W627 K658 S659 I661 F663A597-I619 HydrophobicContact CB-CG2 3.61Å; V599-I619 HydrophobicContact CG2-CG1 4.48Å; A617-I619 HydrophobicContact CB-CD1 4.47Å; A617-I619 HydrophobicContact CB-CG1 4.09Å; I619-L625 HydrophobicContact CB-CD1 4.38Å; I619-L625 HydrophobicContact CG2-CD1 3.72Å; I619-W627 HydrophobicContact CD1-CH2 4.34Å; I619-K658 CarbonylContact O-C 3.54Å; I619-K658 WeakPolarHBondContact O-CA 3.32Å; I619-S659 PolarHBondContact N-O 3.37Å; I619-S659 PolarHBondContact O-N 2.79Å; I619-I661 HydrophobicContact CD1-CG2 3.76Å; I619-I661 HydrophobicContact CG1-CG2 4.32Å; I619-F663 HydrophobicContact CD1-CE2 4.28Å; I619-F663 HydrophobicContact CD1-CZ 4.31Å
620Y83.8Confident76.4Confident37 Ų3744.7 Ų44.715%0.14524%0.236CC..EExtended strand (participates in β ladder)trans-101.9128.2171.2-72.3-94.2000111.1A597 I598 T618 D651 S654 M656 W657 K658A597-Y620 CarbonylContact C-O 3.52Å; A597-Y620 WeakPolarHBondContact CA-O 3.2Å; I598-Y620 PolarHBondContact N-O 3.24Å; I598-Y620 PolarHBondContact O-N 3.36Å; T618-Y620 HydrophobicContact CG2-CD2 4.1Å; T618-Y620 HydrophobicContact CG2-CE2 3.55Å; Y620-D651 HydrophobicContact CE1-CB 3.72Å; Y620-D651 WeakPolarHBondContact CE1-OD2 3.26Å; Y620-S654 WeakPolarHBondContact CD1-OG 3.49Å; Y620-S654 WeakPolarHBondContact CE1-OG 3.26Å; Y620-M656 VanDerWaalsContact CB-CE 3.44Å; Y620-M656 HydrophobicContact CD1-CB 3.88Å; Y620-M656 HydrophobicContact CG-CB 4.47Å; Y620-M656 HydrophobicContact CG-CE 4.32Å; Y620-W657 CarbonylContact C-O 3.29Å; Y620-W657 VanDerWaalsContact CA-O 3.22Å; Y620-W657 WeakPolarHBondContact CA-O 3.39Å; Y620-K658 HydrophobicContact CD1-CB 4.1Å; Y620-K658 HydrophobicContact CE1-CB 3.7Å; Y620-K658 HydrophobicContact CE1-CD 4.45Å; Y620-K658 HydrophobicContact CE1-CG 3.96Å; Y620-K658 HydrophobicContact CE2-CG 4.25Å
621S77.5Confident76.9Confident6 Ų645 Ų454%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-131.2154.2176.851.20000110.4E623 M656 W657S621-E623 WeakPolarHBondContact CB-O 3.46Å; S621-E623 PolarHBondContact O-N 3.38Å; S621-E623 PolarHBondContact OG-O 2.71Å; S621-M656 CarbonylContact O-C 3.58Å; S621-M656 WeakPolarHBondContact O-CA 3.33Å; S621-M656 WeakPolarHBondContact O-CB 3.44Å; S621-W657 PolarHBondContact N-O 2.9Å; S621-W657 PolarHBondContact O-N 3.42Å
622S72.3Confident77.5Confident43 Ų4347.6 Ų47.630%0.30123%0.233SC..SBendtrans-60.3-30175.452.70000112.1N595 W657N595-S622 VanDerWaalsContact CG-OG 3.23Å; N595-S622 PolarHBondContact ND2-OG 3.31Å; N595-S622 PolarHBondContact OD1-OG 3.05Å; S622-W657 VanDerWaalsContact O-CD1 3.26Å
623E70.1Confident77.4Confident74 Ų7448.9 Ų48.935%0.34624%0.239SC..SBendtrans-136.7154-176-63.3176.2-177.500110.6L576 L589 S621 L625L576-E623 HydrophobicContact CD2-CG 4.28Å; L589-E623 HydrophobicContact CD2-CB 3.71Å; L589-E623 VanDerWaalsContact CD2-OE2 3.24Å; L589-E623 WeakPolarHBondContact CD2-OE2 3.36Å; S621-E623 WeakPolarHBondContact CB-O 3.46Å; S621-E623 PolarHBondContact O-N 3.38Å; S621-E623 PolarHBondContact OG-O 2.71Å; E623-L625 PolarHBondContact O-N 2.86Å
624P73.1Confident77Confident11 Ų1154.8 Ų54.87%0.07127%0.266CS..PPolyproline II helixtrans-59.2133.1179.4-13.526.1000111.6L576 T577 W657L576-P624 HydrophobicContact CB-CG 3.81Å; L576-P624 HydrophobicContact CD1-CG 4.17Å; T577-P624 HydrophobicContact CG2-CB 4.42Å; P624-W657 HydrophobicContact CB-CD2 4.29Å; P624-W657 HydrophobicContact CB-CE3 4.33Å; P624-W657 HydrophobicContact CG-CD2 3.6Å; P624-W657 HydrophobicContact CG-CE3 3.88Å; P624-W657 HydrophobicContact CG-CG 4.04Å; P624-W657 HydrophobicContact CG-CH2 4.24Å; P624-W657 HydrophobicContact CG-CZ2 4.03Å; P624-W657 HydrophobicContact CG-CZ3 4.16Å
625L71.5Confident76.4Confident16 Ų1654.9 Ų54.98%0.08426%0.263CS..PPolyproline II helixtrans-76.7138.5-177.9-65.3173.1000111.5L589 P591 I619 E623 W627L589-L625 WeakPolarHBondContact O-CD2 3.49Å; P591-L625 HydrophobicContact CG-CD2 4.12Å; I619-L625 HydrophobicContact CB-CD1 4.38Å; I619-L625 HydrophobicContact CG2-CD1 3.72Å; E623-L625 PolarHBondContact O-N 2.86Å; L625-W627 HydrophobicContact CB-CZ2 4.18Å; L625-W627 HydrophobicContact CD1-CZ2 4.01Å; L625-W627 VanDerWaalsContact O-CD1 3.29Å; L625-W627 PolarHBondContact O-NE1 2.62Å
626Q68.3Low75.8Confident103 Ų10360.6 Ų60.648%0.48129%0.293SS..PPolyproline II helixtrans-97.8138.4174.3-69.4-113.3-41.500110.7T577 L589T577-Q626 HydrophobicContact CG2-CG 4.14Å; T577-Q626 PolarHBondContact OG1-NE2 3.06Å; L589-Q626 HydrophobicContact CB-CG 4.49Å; L589-Q626 HydrophobicContact CD1-CG 4.41Å
627W70.8Confident74.8Confident26 Ų2661.5 Ų61.510%0.09831%0.312CS..  trans-126.8133.3-172.2-56.583.4000111.8F590 I619 L625 E631 A642 T645 P646 I661 F663F590-W627 HydrophobicContact CE2-CE3 4.33Å; F590-W627 HydrophobicContact CE2-CH2 4.47Å; F590-W627 HydrophobicContact CE2-CZ3 4.15Å; F590-W627 HydrophobicContact CZ-CZ3 4.43Å; I619-W627 HydrophobicContact CD1-CH2 4.34Å; L625-W627 HydrophobicContact CB-CZ2 4.18Å; L625-W627 HydrophobicContact CD1-CZ2 4.01Å; L625-W627 VanDerWaalsContact O-CD1 3.29Å; L625-W627 PolarHBondContact O-NE1 2.62Å; W627-E631 HydrophobicContact CE3-CB 4.07Å; W627-E631 HydrophobicContact CE3-CG 4.31Å; W627-E631 HydrophobicContact CZ3-CB 4.1Å; W627-A642 HydrophobicContact CE3-CB 3.88Å; W627-A642 HydrophobicContact CZ3-CB 4Å; W627-T645 HydrophobicContact CB-CG2 4.2Å; W627-T645 HydrophobicContact CG-CG2 4.28Å; W627-P646 HydrophobicContact CD2-CG 4.14Å; W627-P646 VanDerWaalsContact CE2-CG 3.46Å; W627-P646 HydrophobicContact CG-CG 4.46Å; W627-P646 HydrophobicContact CZ2-CG 3.75Å; W627-I661 HydrophobicContact CD2-CD1 4.24Å; W627-I661 HydrophobicContact CE3-CD1 3.8Å; W627-I661 HydrophobicContact CH2-CD1 3.23Å; W627-I661 HydrophobicContact CH2-CG1 4.46Å; W627-I661 HydrophobicContact CH2-CG2 4.3Å; W627-I661 HydrophobicContact CZ2-CD1 3.7Å; W627-I661 HydrophobicContact CZ3-CD1 3.28Å; W627-F663 HydrophobicContact CH2-CE1 4.27Å; W627-F663 AromaticContact CH2-CZ 3.84Å; W627-F663 HydrophobicContact CH2-CZ 3.84Å; W627-F663 AromaticContact CZ3-CE1 3.84Å; W627-F663 HydrophobicContact CZ3-CE1 3.84Å; W627-F663 AromaticContact CZ3-CZ 3.9Å; W627-F663 HydrophobicContact CZ3-CZ 3.9Å
628K68.1Low74.1Confident164 Ų16462.1 Ų62.171%0.71331%0.314SS*.  trans-97-2.5172.5-62.2-176.2178.3-176.90113E630 E631K628-E630 PolarHBondContact O-N 2.84Å; K628-E631 VanDerWaalsContact CB-OE1 3.31Å; K628-E631 WeakPolarHBondContact CB-OE1 3.41Å; K628-E631 PolarHBondContact N-OE1 2.82Å; K628-E631 PolarHBondContact N-OE2 3.03Å
629K67.5Low73.9Confident101 Ų10167.4 Ų67.444%0.43933%0.332SS..SBendtrans64.720.8-174.4-50.1179.3-178-175.30113.6E631 A642K629-E631 PolarHBondContact N-OE2 2.89Å; K629-A642 CarbonylContact C-O 3.51Å; K629-A642 WeakPolarHBondContact CA-O 3.29Å
630E68.4Low73.8Confident155 Ų15566.8 Ų66.872%0.72433%0.329SS*.  trans-121.3-4.2173.5-62.6-132.415200111.8K628K628-E630 PolarHBondContact O-N 2.84Å
631E75.9Confident73.7Confident28 Ų2867 Ų6713%0.13133%0.331CS..  trans-65.9138.1174.6-6282-177.600110.6F590 W627 K628 K629 A642F590-E631 HydrophobicContact CD2-CG 4.2Å; F590-E631 HydrophobicContact CE1-CG 4.2Å; F590-E631 HydrophobicContact CE2-CB 4.17Å; F590-E631 HydrophobicContact CE2-CG 3.57Å; F590-E631 HydrophobicContact CZ-CB 3.82Å; F590-E631 HydrophobicContact CZ-CG 3.56Å; W627-E631 HydrophobicContact CE3-CB 4.07Å; W627-E631 HydrophobicContact CE3-CG 4.31Å; W627-E631 HydrophobicContact CZ3-CB 4.1Å; K628-E631 VanDerWaalsContact CB-OE1 3.31Å; K628-E631 WeakPolarHBondContact CB-OE1 3.41Å; K628-E631 PolarHBondContact N-OE1 2.82Å; K628-E631 PolarHBondContact N-OE2 3.03Å; K629-E631 PolarHBondContact N-OE2 2.89Å; E631-A642 PolarHBondContact O-N 2.74Å
632F78.3Confident73.7Confident88 Ų8866.7 Ų66.739%0.38633%0.329SS..EExtended strand (participates in β ladder)trans-135.2156.4-178.867.9-88.5000111.4R639 F640 F641F632-R639 HydrophobicContact CD2-CB 4.1Å; F632-R639 HydrophobicContact CD2-CG 3.69Å; F632-R639 HydrophobicContact CE2-CG 3.94Å; F632-R639 HydrophobicContact CG-CG 4.45Å; F632-F640 CarbonylContact C-O 3.43Å; F632-F640 WeakPolarHBondContact CA-O 3.18Å; F632-F640 VanDerWaalsContact CB-O 3.32Å; F632-F640 WeakPolarHBondContact CB-O 3.37Å; F632-F641 HydrophobicContact CB-CD1 3.68Å; F632-F641 HydrophobicContact CB-CD2 4.49Å; F632-F641 HydrophobicContact CB-CE1 3.78Å; F632-F641 HydrophobicContact CB-CG 4.06Å; F632-F641 HydrophobicContact CB-CZ 4.24Å; F632-F641 HydrophobicContact CD1-CE1 4.08Å; F632-F641 HydrophobicContact CG-CE1 4.15Å
633V76.7Confident73.5Confident44 Ų4467.1 Ų67.127%0.26733%0.332SS..EExtended strand (participates in β ladder)trans-113.7147.7165.7-640000108.8L615 R639 F640 F663L615-V633 HydrophobicContact CD1-CG2 4.3Å; L615-V633 HydrophobicContact CD2-CG2 4.22Å; V633-R639 WeakPolarHBondContact O-CA 3.32Å; V633-F640 HydrophobicContact CG2-CB 3.85Å; V633-F640 PolarHBondContact N-O 2.93Å; V633-F640 PolarHBondContact O-N 3.45Å; V633-F663 HydrophobicContact CG1-CD1 4.25Å; V633-F663 HydrophobicContact CG1-CD2 4.22Å; V633-F663 HydrophobicContact CG1-CE1 3.9Å; V633-F663 HydrophobicContact CG1-CE2 3.84Å; V633-F663 HydrophobicContact CG1-CG 4.41Å; V633-F663 HydrophobicContact CG1-CZ 3.68Å; V633-F663 HydrophobicContact CG2-CB 3.88Å; V633-F663 HydrophobicContact CG2-CD1 4.04Å; V633-F663 HydrophobicContact CG2-CD2 3.84Å; V633-F663 HydrophobicContact CG2-CE2 4.31Å; V633-F663 HydrophobicContact CG2-CG 3.68Å
634E77.5Confident73.6Confident129 Ų12968 Ų6860%0.60333%0.333SS*.EExtended strand (participates in β ladder)trans-108.1121177.8-165.4172151.400108.8D638 R639E634-D638 WeakPolarHBondContact CA-O 3.48Å; E634-R639 HydrophobicContact CG-CG 4.48Å
635Y76.2Confident73.6Confident39 Ų3969.7 Ų69.715%0.15334%0.343CS..EExtended strand (participates in β ladder)trans-136.8129.1-179.8-179-97.7000109.2Y602 Y604 L615 G637 D638Y602-Y635 HydrophobicContact CE2-CD2 4.43Å; Y602-Y635 AromaticContact CE2-CE2 3.91Å; Y602-Y635 HydrophobicContact CE2-CE2 3.91Å; Y604-Y635 AromaticContact CD1-CE1 3.73Å; Y604-Y635 HydrophobicContact CD1-CE1 3.73Å; Y604-Y635 AromaticContact CD2-CD1 3.55Å; Y604-Y635 HydrophobicContact CD2-CD1 3.55Å; Y604-Y635 AromaticContact CD2-CE1 3.5Å; Y604-Y635 HydrophobicContact CD2-CE1 3.5Å; Y604-Y635 HydrophobicContact CE1-CE1 4.04Å; Y604-Y635 AromaticContact CE2-CD1 3.77Å; Y604-Y635 HydrophobicContact CE2-CD1 3.77Å; Y604-Y635 AromaticContact CE2-CE1 3.84Å; Y604-Y635 HydrophobicContact CE2-CE1 3.84Å; Y604-Y635 AromaticContact CG-CD1 3.97Å; Y604-Y635 HydrophobicContact CG-CD1 3.97Å; Y604-Y635 AromaticContact CG-CE1 3.43Å; Y604-Y635 HydrophobicContact CG-CE1 3.43Å; Y604-Y635 VanDerWaalsContact CG-CE1 3.43Å; L615-Y635 HydrophobicContact CD1-CD1 4.39Å; L615-Y635 HydrophobicContact CD1-CD2 4.08Å; L615-Y635 HydrophobicContact CD1-CG 3.78Å; Y635-G637 PolarHBondContact O-N 2.95Å; Y635-G637 VanDerWaalsContact O-N 3.12Å; Y635-D638 PolarHBondContact N-O 3.46Å; Y635-D638 PolarHBondContact O-N 2.94Å
636N72.3Confident73.5Confident129 Ų12969.3 Ų69.369%0.6934%0.342SS*.THydrogen-bonded Turntrans49.134-174.2-71.3-14.2000114.6D638N636-D638 VanDerWaalsContact C-N 3.27Å; N636-D638 PolarHBondContact O-N 3.04Å
637G67.6Low73.5Confident65 Ų6570.7 Ų70.767%0.6735%0.352SS*.THydrogen-bonded Turntrans78.43.9179.800000115Y635Y635-G637 PolarHBondContact O-N 2.95Å; Y635-G637 VanDerWaalsContact O-N 3.12Å
638D70.2Confident73.4Confident17 Ų1770.7 Ų70.79%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-108.6146.1176.1-148.10.9000110.3E634 Y635 N636 F640 R667E634-D638 WeakPolarHBondContact CA-O 3.48Å; Y635-D638 PolarHBondContact N-O 3.46Å; Y635-D638 PolarHBondContact O-N 2.94Å; N636-D638 VanDerWaalsContact C-N 3.27Å; N636-D638 PolarHBondContact O-N 3.04Å; D638-F640 HydrophobicContact CB-CE2 3.91Å; D638-F640 HydrophobicContact CB-CZ 4.38Å; D638-F640 WeakPolarHBondContact O-CD2 3.3Å; D638-R667 IonicContact OD2-CZ 2.63Å; D638-R667 IonicContact OD2-NE 3.08Å; D638-R667 IonicContact OD2-NH2 3.04Å; D638-R667 PolarHBondContact OD2-NH2 3.32Å
639R81.4Confident73.6Confident127 Ų12766.6 Ų66.648%0.47935%0.345SS..EExtended strand (participates in β ladder)trans-98.5125.9-179.2-70.5-176.2-179.81740.9110.7F632 V633 E634 F641F632-R639 HydrophobicContact CD2-CB 4.1Å; F632-R639 HydrophobicContact CD2-CG 3.69Å; F632-R639 HydrophobicContact CE2-CG 3.94Å; F632-R639 HydrophobicContact CG-CG 4.45Å; V633-R639 WeakPolarHBondContact O-CA 3.32Å; E634-R639 HydrophobicContact CG-CG 4.48Å; R639-F641 HydrophobicContact CB-CD2 4.42Å; R639-F641 HydrophobicContact CB-CE2 3.6Å; R639-F641 HydrophobicContact CB-CZ 3.91Å
640F81.7Confident74Confident1 Ų165.6 Ų65.60%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-110123.1177.8-61.7-104.8000108.6Y604 P613 L615 F632 V633 D638 F663 T664 S665Y604-F640 HydrophobicContact CD2-CE1 4.49Å; Y604-F640 HydrophobicContact CD2-CZ 4.32Å; Y604-F640 HydrophobicContact CE2-CE1 4.04Å; Y604-F640 AromaticContact CE2-CZ 3.68Å; Y604-F640 HydrophobicContact CE2-CZ 3.68Å; P613-F640 HydrophobicContact CB-CE1 3.93Å; P613-F640 HydrophobicContact CB-CZ 4.41Å; P613-F640 HydrophobicContact CG-CE1 3.9Å; P613-F640 HydrophobicContact CG-CZ 4.18Å; P613-F640 WeakPolarHBondContact O-CD1 3.36Å; P613-F640 VanDerWaalsContact O-CE1 3.3Å; P613-F640 WeakPolarHBondContact O-CE1 3.47Å; L615-F640 HydrophobicContact CB-CD1 4.24Å; L615-F640 HydrophobicContact CB-CG 4.34Å; F632-F640 CarbonylContact C-O 3.43Å; F632-F640 WeakPolarHBondContact CA-O 3.18Å; F632-F640 VanDerWaalsContact CB-O 3.32Å; F632-F640 WeakPolarHBondContact CB-O 3.37Å; V633-F640 HydrophobicContact CG2-CB 3.85Å; V633-F640 PolarHBondContact N-O 2.93Å; V633-F640 PolarHBondContact O-N 3.45Å; D638-F640 HydrophobicContact CB-CE2 3.91Å; D638-F640 HydrophobicContact CB-CZ 4.38Å; D638-F640 WeakPolarHBondContact O-CD2 3.3Å; F640-F663 HydrophobicContact CB-CB 3.52Å; F640-T664 CarbonylContact C-O 3.55Å; F640-T664 WeakPolarHBondContact CA-O 3.34Å; F640-S665 VanDerWaalsContact CD1-N 3.34Å
641F82.3Confident74.1Confident41 Ų4160.2 Ų60.218%0.1832%0.317CS..EExtended strand (participates in β ladder)trans-104146.1-171.7-65.2-97.5000111F632 R639 S643 F663 T664 R666F632-F641 HydrophobicContact CB-CD1 3.68Å; F632-F641 HydrophobicContact CB-CD2 4.49Å; F632-F641 HydrophobicContact CB-CE1 3.78Å; F632-F641 HydrophobicContact CB-CG 4.06Å; F632-F641 HydrophobicContact CB-CZ 4.24Å; F632-F641 HydrophobicContact CD1-CE1 4.08Å; F632-F641 HydrophobicContact CG-CE1 4.15Å; R639-F641 HydrophobicContact CB-CD2 4.42Å; R639-F641 HydrophobicContact CB-CE2 3.6Å; R639-F641 HydrophobicContact CB-CZ 3.91Å; F641-S643 PolarHBondContact O-N 2.85Å; F641-F663 CarbonylContact O-C 3.37Å; F641-F663 WeakPolarHBondContact O-CA 3.46Å; F641-T664 PolarHBondContact N-O 3.28Å; F641-T664 PolarHBondContact O-N 3.39Å; F641-R666 HydrophobicContact CD2-CB 3.8Å; F641-R666 HydrophobicContact CD2-CG 4.35Å; F641-R666 HydrophobicContact CE2-CB 3.72Å; F641-R666 HydrophobicContact CE2-CG 4.18Å
642A76.6Confident73.9Confident0 Ų065.6 Ų65.60%035%0.346CS..  trans-79.696.2168.100000109.1W627 K629 E631 Y644 I661 F663W627-A642 HydrophobicContact CE3-CB 3.88Å; W627-A642 HydrophobicContact CZ3-CB 4Å; K629-A642 CarbonylContact C-O 3.51Å; K629-A642 WeakPolarHBondContact CA-O 3.29Å; E631-A642 PolarHBondContact O-N 2.74Å; A642-Y644 PolarHBondContact O-N 3.03Å; A642-I661 HydrophobicContact CB-CD1 3.59Å; A642-F663 HydrophobicContact CB-CD1 3.99Å; A642-F663 HydrophobicContact CB-CE1 3.98Å
643S68.4Low73.6Confident51 Ų5166.9 Ų66.936%0.35737%0.367SS..  trans-75-8.9178.950.80000113.3F641F641-S643 PolarHBondContact O-N 2.85Å
644Y72.4Confident73.2Confident93 Ų9367.1 Ų67.137%0.36537%0.37SS..SBendtrans-141.8167.1178.267.4-83.8000111.8A642 P646 T662A642-Y644 PolarHBondContact O-N 3.03Å; Y644-P646 HydrophobicContact CE2-CB 4.21Å; Y644-P646 WeakPolarHBondContact O-CD 3.28Å; Y644-T662 WeakPolarHBondContact OH-CB 3.29Å; Y644-T662 PolarHBondContact OH-N 3.16Å; Y644-T662 VanDerWaalsContact OH-N 3.09Å
645T72.5Confident73Confident46 Ų4670.9 Ų70.928%0.28238%0.379SS..  trans-88.3114.8172.9-550000108.7W627W627-T645 HydrophobicContact CB-CG2 4.2Å; W627-T645 HydrophobicContact CG-CG2 4.28Å
646P69.5Low73.1Confident9 Ų971 Ų716%0.05838%0.381CS..  trans-71.4161.8178.233.9-41.8000112.5W627 Y644 E660 I661W627-P646 HydrophobicContact CD2-CG 4.14Å; W627-P646 VanDerWaalsContact CE2-CG 3.46Å; W627-P646 HydrophobicContact CG-CG 4.46Å; W627-P646 HydrophobicContact CZ2-CG 3.75Å; Y644-P646 HydrophobicContact CE2-CB 4.21Å; Y644-P646 WeakPolarHBondContact O-CD 3.28Å; P646-E660 WeakPolarHBondContact CB-O 3.48Å; P646-I661 HydrophobicContact CB-CB 3.87Å; P646-I661 HydrophobicContact CB-CD1 4.38Å; P646-I661 HydrophobicContact CB-CG1 4.08Å; P646-I661 HydrophobicContact CG-CB 3.94Å; P646-I661 HydrophobicContact CG-CD1 3.76Å; P646-I661 HydrophobicContact CG-CG1 4Å
647N68.8Low73.4Confident132 Ų13265.6 Ų65.671%0.70635%0.351SS*.  trans-78.2143.1170.3-65.2-34.5000110.5
648S68.5Low74.2Confident26 Ų2665.1 Ų65.118%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-113.3136.6171.3-60.60000109.6K658 S659S648-K658 CarbonylContact C-O 3.1Å; S648-K658 WeakPolarHBondContact CA-O 3.19Å; S648-S659 PolarHBondContact OG-OG 3.25Å
649T72.7Confident74.5Confident78 Ų7864.3 Ų64.348%0.47933%0.326SS..EExtended strand (participates in β ladder)trans-127.3140.4177.452.90000109.7D651 W657 K658T649-D651 PolarHBondContact O-N 2.74Å; T649-W657 CarbonylContact O-C 3.46Å; T649-K658 PolarHBondContact N-O 3.47Å; T649-K658 PolarHBondContact O-N 3.45Å; T649-K658 PolarHBondContact OG1-O 2.83Å
650K75.1Confident74.5Confident79 Ų7963.6 Ų63.634%0.34333%0.328SS..EExtended strand (participates in β ladder)trans-77.6117.1176.5-166.778.9-169.3177.90110.2R655 W657K650-R655 VanDerWaalsContact CE-C 3.44Å; K650-R655 WeakPolarHBondContact CE-O 3.29Å; K650-R655 PolarHBondContact NZ-O 2.84Å; K650-W657 HydrophobicContact CB-CD2 4.37Å; K650-W657 HydrophobicContact CB-CE3 4.27Å; K650-W657 HydrophobicContact CB-CH2 4.19Å; K650-W657 HydrophobicContact CB-CZ2 4.24Å; K650-W657 HydrophobicContact CB-CZ3 4.22Å; K650-W657 HydrophobicContact CD-CD2 3.74Å; K650-W657 HydrophobicContact CD-CE3 4.47Å; K650-W657 HydrophobicContact CD-CG 3.94Å; K650-W657 HydrophobicContact CD-CZ2 3.79Å; K650-W657 VanDerWaalsContact NZ-CD1 3.28Å
651D71.7Confident74.5Confident42 Ų4263.6 Ų63.623%0.22533%0.328CS..EExtended strand (participates in β ladder)trans-87.4113.9171.4170.829.7000110.2Y620 T649 S653 S654 R655 M656 K658Y620-D651 HydrophobicContact CE1-CB 3.72Å; Y620-D651 WeakPolarHBondContact CE1-OD2 3.26Å; T649-D651 PolarHBondContact O-N 2.74Å; D651-S653 VanDerWaalsContact C-N 3.26Å; D651-S653 PolarHBondContact O-N 2.76Å; D651-S653 PolarHBondContact OD1-N 2.84Å; D651-S653 VanDerWaalsContact OD1-N 3.08Å; D651-S654 VanDerWaalsContact OD2-CB 3.31Å; D651-S654 WeakPolarHBondContact OD2-CB 3.45Å; D651-S654 PolarHBondContact OD2-N 2.81Å; D651-S654 VanDerWaalsContact OD2-N 3.17Å; D651-S654 PolarHBondContact OD2-OG 2.87Å; D651-R655 VanDerWaalsContact O-CA 3.26Å; D651-R655 WeakPolarHBondContact O-CA 3.33Å; D651-R655 PolarHBondContact O-N 2.95Å; D651-M656 PolarHBondContact N-O 2.94Å; D651-M656 PolarHBondContact O-N 2.9Å; D651-K658 HydrophobicContact CB-CB 4.36Å
652N71.9Confident74.6Confident141 Ų14163.3 Ų63.375%0.75433%0.33SS*.THydrogen-bonded Turntrans-66.1-26.8-177.8-77.3-28.3000113.4
653S71.7Confident75.1Confident116 Ų11663.5 Ų63.581%0.81133%0.331SS*.THydrogen-bonded Turntrans-73.3-48.5-178.2-74.50000111.5D651D651-S653 VanDerWaalsContact C-N 3.26Å; D651-S653 PolarHBondContact O-N 2.76Å; D651-S653 PolarHBondContact OD1-N 2.84Å; D651-S653 VanDerWaalsContact OD1-N 3.08Å
654S69.2Low75.8Confident49 Ų4962 Ų6234%0.34332%0.32SS..THydrogen-bonded Turntrans-80.3-17.5174.560.70000113.6Y620 D651 M656Y620-S654 WeakPolarHBondContact CD1-OG 3.49Å; Y620-S654 WeakPolarHBondContact CE1-OG 3.26Å; D651-S654 VanDerWaalsContact OD2-CB 3.31Å; D651-S654 WeakPolarHBondContact OD2-CB 3.45Å; D651-S654 PolarHBondContact OD2-N 2.81Å; D651-S654 VanDerWaalsContact OD2-N 3.17Å; D651-S654 PolarHBondContact OD2-OG 2.87Å; S654-M656 PolarHBondContact O-N 3.18Å; S654-M656 PolarHBondContact OG-N 3.14Å
655R71.6Confident76.4Confident207 Ų20757.6 Ų57.678%0.78130%0.303SS*.THydrogen-bonded Turntrans57.523.3-167.6-53.5-177.5-180-170.4-0.6113.1K650 D651K650-R655 VanDerWaalsContact CE-C 3.44Å; K650-R655 WeakPolarHBondContact CE-O 3.29Å; K650-R655 PolarHBondContact NZ-O 2.84Å; D651-R655 VanDerWaalsContact O-CA 3.26Å; D651-R655 WeakPolarHBondContact O-CA 3.33Å; D651-R655 PolarHBondContact O-N 2.95Å
656M78.7Confident76.8Confident41 Ų4160 Ų6020%0.20231%0.306CS..EExtended strand (participates in β ladder)trans-113.5163.9177.2-68.5-146.3-70.500110.9I598 Y620 S621 D651 S654I598-M656 HydrophobicContact CB-CE 4.29Å; I598-M656 HydrophobicContact CD1-CE 3.48Å; I598-M656 VanDerWaalsContact CD1-CE 3.48Å; I598-M656 HydrophobicContact CG1-CE 3.98Å; Y620-M656 VanDerWaalsContact CB-CE 3.44Å; Y620-M656 HydrophobicContact CD1-CB 3.88Å; Y620-M656 HydrophobicContact CG-CB 4.47Å; Y620-M656 HydrophobicContact CG-CE 4.32Å; S621-M656 CarbonylContact O-C 3.58Å; S621-M656 WeakPolarHBondContact O-CA 3.33Å; S621-M656 WeakPolarHBondContact O-CB 3.44Å; D651-M656 PolarHBondContact N-O 2.94Å; D651-M656 PolarHBondContact O-N 2.9Å; S654-M656 PolarHBondContact O-N 3.18Å; S654-M656 PolarHBondContact OG-N 3.14Å
657W79Confident77.3Confident17 Ų1760.9 Ų60.96%0.06431%0.309CS..EExtended strand (participates in β ladder)trans-84.4118.4173.3-72.390.8000109.4E573 L576 Y620 S621 S622 P624 T649 K650E573-W657 HydrophobicContact CB-CH2 4.34Å; E573-W657 HydrophobicContact CG-CH2 4.12Å; E573-W657 HydrophobicContact CG-CZ3 4.49Å; L576-W657 HydrophobicContact CD1-CH2 4.05Å; L576-W657 HydrophobicContact CD1-CZ2 3.11Å; Y620-W657 CarbonylContact C-O 3.29Å; Y620-W657 VanDerWaalsContact CA-O 3.22Å; Y620-W657 WeakPolarHBondContact CA-O 3.39Å; S621-W657 PolarHBondContact N-O 2.9Å; S621-W657 PolarHBondContact O-N 3.42Å; S622-W657 VanDerWaalsContact O-CD1 3.26Å; P624-W657 HydrophobicContact CB-CD2 4.29Å; P624-W657 HydrophobicContact CB-CE3 4.33Å; P624-W657 HydrophobicContact CG-CD2 3.6Å; P624-W657 HydrophobicContact CG-CE3 3.88Å; P624-W657 HydrophobicContact CG-CG 4.04Å; P624-W657 HydrophobicContact CG-CH2 4.24Å; P624-W657 HydrophobicContact CG-CZ2 4.03Å; P624-W657 HydrophobicContact CG-CZ3 4.16Å; T649-W657 CarbonylContact O-C 3.46Å; K650-W657 HydrophobicContact CB-CD2 4.37Å; K650-W657 HydrophobicContact CB-CE3 4.27Å; K650-W657 HydrophobicContact CB-CH2 4.19Å; K650-W657 HydrophobicContact CB-CZ2 4.24Å; K650-W657 HydrophobicContact CB-CZ3 4.22Å; K650-W657 HydrophobicContact CD-CD2 3.74Å; K650-W657 HydrophobicContact CD-CE3 4.47Å; K650-W657 HydrophobicContact CD-CG 3.94Å; K650-W657 HydrophobicContact CD-CZ2 3.79Å; K650-W657 VanDerWaalsContact NZ-CD1 3.28Å
658K83.7Confident78Confident55 Ų5556 Ų5624%0.23928%0.281CS..EExtended strand (participates in β ladder)trans-91119.8176.2-173.4-169.3174.9-160.30109.1T618 I619 Y620 S648 T649 D651 E660T618-K658 HydrophobicContact CG2-CD 4.09Å; T618-K658 HydrophobicContact CG2-CG 3.62Å; I619-K658 CarbonylContact O-C 3.54Å; I619-K658 WeakPolarHBondContact O-CA 3.32Å; Y620-K658 HydrophobicContact CD1-CB 4.1Å; Y620-K658 HydrophobicContact CE1-CB 3.7Å; Y620-K658 HydrophobicContact CE1-CD 4.45Å; Y620-K658 HydrophobicContact CE1-CG 3.96Å; Y620-K658 HydrophobicContact CE2-CG 4.25Å; S648-K658 CarbonylContact C-O 3.1Å; S648-K658 WeakPolarHBondContact CA-O 3.19Å; T649-K658 PolarHBondContact N-O 3.47Å; T649-K658 PolarHBondContact O-N 3.45Å; T649-K658 PolarHBondContact OG1-O 2.83Å; D651-K658 HydrophobicContact CB-CB 4.36Å; K658-E660 VanDerWaalsContact CE-OE1 3.23Å; K658-E660 WeakPolarHBondContact CE-OE1 3.43Å; K658-E660 IonicContact NZ-OE1 3.13Å; K658-E660 PolarHBondContact NZ-OE1 3.33Å
659S77.3Confident78.6Confident0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-114.9124.6171.1-50.80000109T618 I619 S648T618-S659 WeakPolarHBondContact CA-O 3.48Å; I619-S659 PolarHBondContact N-O 3.37Å; I619-S659 PolarHBondContact O-N 2.79Å; S648-S659 PolarHBondContact OG-OG 3.25Å
660E81.5Confident79.1Confident112 Ų11253.4 Ų53.452%0.52326%0.262SS..EExtended strand (participates in β ladder)trans-97.7116.4170.3-71.3-177.5168.300107.7A617 P646 K658A617-E660 WeakPolarHBondContact O-CA 3.3Å; P646-E660 WeakPolarHBondContact CB-O 3.48Å; K658-E660 VanDerWaalsContact CE-OE1 3.23Å; K658-E660 WeakPolarHBondContact CE-OE1 3.43Å; K658-E660 IonicContact NZ-OE1 3.13Å; K658-E660 PolarHBondContact NZ-OE1 3.33Å
661I82.2Confident79.2Confident0 Ų052.2 Ų52.20%026%0.26CS..EExtended strand (participates in β ladder)trans-130.2134.8-175.7-175.6169.7000110.6T616 A617 I619 W627 A642 P646 F663T616-I661 CarbonylContact C-O 3.58Å; T616-I661 WeakPolarHBondContact CA-O 3.37Å; A617-I661 HydrophobicContact CB-CG2 4.33Å; A617-I661 PolarHBondContact N-O 3.02Å; A617-I661 PolarHBondContact O-N 2.88Å; I619-I661 HydrophobicContact CD1-CG2 3.76Å; I619-I661 HydrophobicContact CG1-CG2 4.32Å; W627-I661 HydrophobicContact CD2-CD1 4.24Å; W627-I661 HydrophobicContact CE3-CD1 3.8Å; W627-I661 HydrophobicContact CH2-CD1 3.23Å; W627-I661 HydrophobicContact CH2-CG1 4.46Å; W627-I661 HydrophobicContact CH2-CG2 4.3Å; W627-I661 HydrophobicContact CZ2-CD1 3.7Å; W627-I661 HydrophobicContact CZ3-CD1 3.28Å; A642-I661 HydrophobicContact CB-CD1 3.59Å; P646-I661 HydrophobicContact CB-CB 3.87Å; P646-I661 HydrophobicContact CB-CD1 4.38Å; P646-I661 HydrophobicContact CB-CG1 4.08Å; P646-I661 HydrophobicContact CG-CB 3.94Å; P646-I661 HydrophobicContact CG-CD1 3.76Å; P646-I661 HydrophobicContact CG-CG1 4Å; I661-F663 HydrophobicContact CB-CE2 4.31Å; I661-F663 HydrophobicContact CD1-CD1 4.31Å; I661-F663 HydrophobicContact CD1-CE1 3.84Å; I661-F663 HydrophobicContact CD1-CE2 4.13Å; I661-F663 HydrophobicContact CD1-CZ 3.73Å; I661-F663 HydrophobicContact CG1-CD2 4.33Å; I661-F663 HydrophobicContact CG1-CE2 4.17Å; I661-F663 HydrophobicContact CG1-CZ 4.29Å; I661-F663 HydrophobicContact CG2-CD2 3.98Å; I661-F663 HydrophobicContact CG2-CE2 3.28Å; I661-F663 HydrophobicContact CG2-CZ 3.79Å
662T84.3Confident79.5Confident35 Ų3555.7 Ų55.722%0.21528%0.278CS..EExtended strand (participates in β ladder)trans-100.7114.1168-55.20000109.2T614 T616 Y644T614-T662 HydrophobicContact CG2-CG2 3.93Å; T616-T662 WeakPolarHBondContact OG1-CG2 3.38Å; T616-T662 PolarHBondContact OG1-OG1 3.08Å; Y644-T662 WeakPolarHBondContact OH-CB 3.29Å; Y644-T662 PolarHBondContact OH-N 3.16Å; Y644-T662 VanDerWaalsContact OH-N 3.09Å
663F85.4Confident80Confident4 Ų450.3 Ų50.32%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-89.4126.9168.8-60.5-92.3000108.8T614 L615 A617 I619 W627 V633 F640 F641 A642 I661T614-F663 CarbonylContact C-O 3.58Å; T614-F663 WeakPolarHBondContact CA-O 3.17Å; L615-F663 HydrophobicContact CB-CB 4.47Å; L615-F663 HydrophobicContact CD2-CD2 4.23Å; L615-F663 PolarHBondContact N-O 2.73Å; L615-F663 PolarHBondContact O-N 3.48Å; A617-F663 HydrophobicContact CB-CE2 4.33Å; I619-F663 HydrophobicContact CD1-CE2 4.28Å; I619-F663 HydrophobicContact CD1-CZ 4.31Å; W627-F663 HydrophobicContact CH2-CE1 4.27Å; W627-F663 AromaticContact CH2-CZ 3.84Å; W627-F663 HydrophobicContact CH2-CZ 3.84Å; W627-F663 AromaticContact CZ3-CE1 3.84Å; W627-F663 HydrophobicContact CZ3-CE1 3.84Å; W627-F663 AromaticContact CZ3-CZ 3.9Å; W627-F663 HydrophobicContact CZ3-CZ 3.9Å; V633-F663 HydrophobicContact CG1-CD1 4.25Å; V633-F663 HydrophobicContact CG1-CD2 4.22Å; V633-F663 HydrophobicContact CG1-CE1 3.9Å; V633-F663 HydrophobicContact CG1-CE2 3.84Å; V633-F663 HydrophobicContact CG1-CG 4.41Å; V633-F663 HydrophobicContact CG1-CZ 3.68Å; V633-F663 HydrophobicContact CG2-CB 3.88Å; V633-F663 HydrophobicContact CG2-CD1 4.04Å; V633-F663 HydrophobicContact CG2-CD2 3.84Å; V633-F663 HydrophobicContact CG2-CE2 4.31Å; V633-F663 HydrophobicContact CG2-CG 3.68Å; F640-F663 HydrophobicContact CB-CB 3.52Å; F641-F663 CarbonylContact O-C 3.37Å; F641-F663 WeakPolarHBondContact O-CA 3.46Å; A642-F663 HydrophobicContact CB-CD1 3.99Å; A642-F663 HydrophobicContact CB-CE1 3.98Å; I661-F663 HydrophobicContact CB-CE2 4.31Å; I661-F663 HydrophobicContact CD1-CD1 4.31Å; I661-F663 HydrophobicContact CD1-CE1 3.84Å; I661-F663 HydrophobicContact CD1-CE2 4.13Å; I661-F663 HydrophobicContact CD1-CZ 3.73Å; I661-F663 HydrophobicContact CG1-CD2 4.33Å; I661-F663 HydrophobicContact CG1-CE2 4.17Å; I661-F663 HydrophobicContact CG1-CZ 4.29Å; I661-F663 HydrophobicContact CG2-CD2 3.98Å; I661-F663 HydrophobicContact CG2-CE2 3.28Å; I661-F663 HydrophobicContact CG2-CZ 3.79Å
664T84.9Confident80.7Confident21 Ų2147.5 Ų47.513%0.12923%0.226CC..EExtended strand (participates in β ladder)trans-105.2138.8-178.9-50.50000109.7A612 T614 F640 F641 E668A612-T664 HydrophobicContact CB-CG2 3.77Å; T614-T664 HydrophobicContact CG2-CG2 4.1Å; F640-T664 CarbonylContact C-O 3.55Å; F640-T664 WeakPolarHBondContact CA-O 3.34Å; F641-T664 PolarHBondContact N-O 3.28Å; F641-T664 PolarHBondContact O-N 3.39Å; T664-E668 HydrophobicContact CG2-CB 3.94Å; T664-E668 HydrophobicContact CG2-CG 4.47Å
665S84.4Confident81.8Confident0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-56.2143.6170.6174.70000109.8P613 F640 R667 E668P613-S665 PolarHBondContact O-N 2.63Å; F640-S665 VanDerWaalsContact CD1-N 3.34Å; S665-R667 PolarHBondContact O-N 2.95Å; S665-R667 PolarHBondContact OG-N 3.11Å; S665-R667 PolarHBondContact OG-NE 2.96Å; S665-E668 PolarHBondContact O-N 3.06Å
666R80.1Confident82.4Confident96 Ų9637.8 Ų37.836%0.36218%0.183SC..THydrogen-bonded Turntrans-63.2-4.9178.6-164.262160.4166.8-3.6113.5F641 E668 L669 Y730F641-R666 HydrophobicContact CD2-CB 3.8Å; F641-R666 HydrophobicContact CD2-CG 4.35Å; F641-R666 HydrophobicContact CE2-CB 3.72Å; F641-R666 HydrophobicContact CE2-CG 4.18Å; R666-E668 IonicContact NH1-OE1 3.3Å; R666-E668 PolarHBondContact O-N 3.04Å; R666-L669 HydrophobicContact CG-CD1 3.76Å; R666-L669 HydrophobicContact CG-CG 4.23Å; R666-L669 WeakPolarHBondContact O-CB 3.01Å; R666-L669 WeakPolarHBondContact O-CG 3.42Å; R666-L669 PolarHBondContact O-N 2.98Å; R666-L669 VanDerWaalsContact O-N 3.15Å; R666-Y730 VanDerWaalsContact CB-OH 3.25Å; R666-Y730 WeakPolarHBondContact CB-OH 3.24Å; R666-Y730 HydrophobicContact CG-CE2 4.49Å
667R81.3Confident82.6Confident28 Ų2836.5 Ų36.511%0.10618%0.177CC..THydrogen-bonded Turntrans-53.9-22.5163.7-85.3-179.3-92.5168.2-9.7113.7A612 P613 D638 S665 L669 L670 Y730A612-R667 HydrophobicContact CB-CB 3.88Å; P613-R667 VanDerWaalsContact CD-CZ 3.49Å; D638-R667 IonicContact OD2-CZ 2.63Å; D638-R667 IonicContact OD2-NE 3.08Å; D638-R667 IonicContact OD2-NH2 3.04Å; D638-R667 PolarHBondContact OD2-NH2 3.32Å; S665-R667 PolarHBondContact O-N 2.95Å; S665-R667 PolarHBondContact OG-N 3.11Å; S665-R667 PolarHBondContact OG-NE 2.96Å; R667-L669 PolarHBondContact O-N 3.23Å; R667-L670 WeakPolarHBondContact O-CB 3.32Å; R667-L670 PolarHBondContact O-N 3.35Å; R667-Y730 HydrophobicContact CG-CD1 4.35Å; R667-Y730 HydrophobicContact CG-CE1 3.63Å; R667-Y730 PolarHBondContact N-OH 3.43Å; R667-Y730 VanDerWaalsContact N-OH 3.16Å
668E82Confident82.5Confident29 Ų2936 Ų3614%0.13618%0.176CC..Hα-helixtrans-54.7-20.2172.869.1177.7179.700113.5A612 T664 S665 R666 L670 D671 N672A612-E668 HydrophobicContact CB-CB 4.23Å; T664-E668 HydrophobicContact CG2-CB 3.94Å; T664-E668 HydrophobicContact CG2-CG 4.47Å; S665-E668 PolarHBondContact O-N 3.06Å; R666-E668 IonicContact NH1-OE1 3.3Å; R666-E668 PolarHBondContact O-N 3.04Å; E668-L670 PolarHBondContact O-N 3.12Å; E668-D671 WeakPolarHBondContact O-CB 3.37Å; E668-D671 PolarHBondContact O-N 3.33Å; E668-N672 PolarHBondContact O-N 2.88Å; E668-N672 PolarHBondContact O-ND2 3.15Å
669L82.1Confident81.9Confident48 Ų4835.1 Ų35.125%0.25118%0.176SC..Hα-helixtrans-62.6-33173.4-67.2177.4000112.2R666 R667 D671 N672 T673 L720R666-L669 HydrophobicContact CG-CD1 3.76Å; R666-L669 HydrophobicContact CG-CG 4.23Å; R666-L669 WeakPolarHBondContact O-CB 3.01Å; R666-L669 WeakPolarHBondContact O-CG 3.42Å; R666-L669 PolarHBondContact O-N 2.98Å; R666-L669 VanDerWaalsContact O-N 3.15Å; R667-L669 PolarHBondContact O-N 3.23Å; L669-D671 VanDerWaalsContact C-N 3.33Å; L669-N672 CarbonylContact O-C 3.43Å; L669-N672 PolarHBondContact O-N 3.18Å; L669-T673 VanDerWaalsContact O-CB 3.27Å; L669-T673 WeakPolarHBondContact O-CB 3.46Å; L669-T673 PolarHBondContact O-N 3.28Å; L669-T673 PolarHBondContact O-OG1 2.8Å; L669-L720 HydrophobicContact CB-CD2 4.07Å; L669-L720 HydrophobicContact CD1-CD2 3.89Å
670L82.3Confident81Confident2 Ų238.3 Ų38.31%0.0120%0.195CC..Hα-helixtrans-70.5-33.3178.3-58.4177.1000111.6R667 E668 N672 M715 L720 L753 T754 L757 W770R667-L670 WeakPolarHBondContact O-CB 3.32Å; R667-L670 PolarHBondContact O-N 3.35Å; E668-L670 PolarHBondContact O-N 3.12Å; L670-N672 PolarHBondContact O-N 3Å; L670-M715 HydrophobicContact CD2-CE 3.74Å; L670-L720 HydrophobicContact CD2-CD1 3.91Å; L670-L753 HydrophobicContact CB-CB 4.31Å; L670-L753 HydrophobicContact CD2-CB 4.16Å; L670-L753 HydrophobicContact CD2-CD1 3.93Å; L670-L753 PolarHBondContact O-N 2.88Å; L670-T754 WeakPolarHBondContact CB-OG1 3.39Å; L670-T754 PolarHBondContact O-N 2.97Å; L670-T754 PolarHBondContact O-OG1 3.17Å; L670-L757 HydrophobicContact CD1-CD1 4.28Å; L670-W770 HydrophobicContact CD1-CH2 3.42Å; L670-W770 VanDerWaalsContact CD1-CH2 3.42Å; L670-W770 HydrophobicContact CD1-CZ2 3.86Å; L670-W770 HydrophobicContact CD1-CZ3 4.43Å
671D78.1Confident79.7Confident54 Ų5438.1 Ų38.129%0.28920%0.197SC..Hα-helixtrans-67.7-20.3174.6-58.5-27.2000111.7E668 L669 T754E668-D671 WeakPolarHBondContact O-CB 3.37Å; E668-D671 PolarHBondContact O-N 3.33Å; L669-D671 VanDerWaalsContact C-N 3.33Å; D671-T754 PolarHBondContact N-OG1 2.91Å; D671-T754 WeakPolarHBondContact OD1-CB 3.17Å; D671-T754 VanDerWaalsContact OD1-CG2 3.26Å; D671-T754 WeakPolarHBondContact OD1-CG2 3.37Å; D671-T754 PolarHBondContact OD1-OG1 3.4Å
672N78.2Confident77.8Confident115 Ų11544.3 Ų44.362%0.61523%0.231SC*.THydrogen-bonded Turntrans-116.25.7-175.4-66-64.2000114.3E668 L669 L670E668-N672 PolarHBondContact O-N 2.88Å; E668-N672 PolarHBondContact O-ND2 3.15Å; L669-N672 CarbonylContact O-C 3.43Å; L669-N672 PolarHBondContact O-N 3.18Å; L670-N672 PolarHBondContact O-N 3Å
673T82.2Confident75.6Confident28 Ų2847.9 Ų47.917%0.17225%0.252CS..  trans-117.5126.2-177.9-57.60000111.7L669 C718 L720 Y752 L753L669-T673 VanDerWaalsContact O-CB 3.27Å; L669-T673 WeakPolarHBondContact O-CB 3.46Å; L669-T673 PolarHBondContact O-N 3.28Å; L669-T673 PolarHBondContact O-OG1 2.8Å; T673-C718 HydrophobicContact CG2-CB 3.72Å; T673-L720 HydrophobicContact CG2-CD1 3.88Å; T673-Y752 CarbonylContact O-C 3.59Å; T673-Y752 WeakPolarHBondContact O-CA 3.49Å; T673-L753 HydrophobicContact CG2-CD1 3.79Å; T673-L753 PolarHBondContact O-N 2.84Å
674L87Confident73.1Confident56 Ų5655 Ų5529%0.29329%0.29SS..BIsolated β-bridgetrans-72.8149.7179.9-67.3170.9000112.6F676 T696 D750 Y752L674-F676 HydrophobicContact CB-CE2 3.97Å; L674-F676 WeakPolarHBondContact O-CD2 3.49Å; L674-T696 HydrophobicContact CB-CG2 4.1Å; L674-T696 HydrophobicContact CD1-CG2 4.35Å; L674-D750 WeakPolarHBondContact CD2-O 3.34Å; L674-Y752 HydrophobicContact CD2-CD1 3.94Å; L674-Y752 HydrophobicContact CD2-CE1 3.86Å; L674-Y752 HydrophobicContact CD2-CG 4.47Å; L674-Y752 HydrophobicContact CG-CD1 4.38Å; L674-Y752 HydrophobicContact CG-CE1 4.2Å
675F90.6Very high70.8Confident1 Ų160 Ų600%0.00432%0.321CS..  trans-88125.1175.6-179.7-131.6000112T696 F698 R710 I711 S714 F748 Q751 L753 V756F675-T696 WeakPolarHBondContact O-CA 3.47Å; F675-F698 HydrophobicContact CD1-CE1 4.1Å; F675-F698 AromaticContact CD1-CZ 3.77Å; F675-F698 HydrophobicContact CD1-CZ 3.77Å; F675-F698 HydrophobicContact CE1-CE1 4.12Å; F675-F698 HydrophobicContact CE1-CE2 4.16Å; F675-F698 AromaticContact CE1-CZ 3.33Å; F675-F698 HydrophobicContact CE1-CZ 3.33Å; F675-F698 AromaticContact CZ-CZ 3.82Å; F675-F698 HydrophobicContact CZ-CZ 3.82Å; F675-R710 HydrophobicContact CZ-CG 4.08Å; F675-I711 HydrophobicContact CE2-CG1 4.18Å; F675-I711 HydrophobicContact CZ-CG1 4.33Å; F675-S714 VanDerWaalsContact CD2-CB 3.48Å; F675-S714 WeakPolarHBondContact CD2-OG 3.21Å; F675-F748 AromaticContact CD1-CD1 3.71Å; F675-F748 HydrophobicContact CD1-CD1 3.71Å; F675-F748 HydrophobicContact CD1-CD2 4.33Å; F675-F748 AromaticContact CD1-CE1 3.96Å; F675-F748 HydrophobicContact CD1-CE1 3.96Å; F675-F748 AromaticContact CD1-CG 3.92Å; F675-F748 HydrophobicContact CD1-CG 3.92Å; F675-F748 HydrophobicContact CD1-CZ 4.4Å; F675-F748 AromaticContact CE1-CD1 3.94Å; F675-F748 HydrophobicContact CE1-CD1 3.94Å; F675-F748 AromaticContact CE1-CD2 3.92Å; F675-F748 HydrophobicContact CE1-CD2 3.92Å; F675-F748 AromaticContact CE1-CE1 3.87Å; F675-F748 HydrophobicContact CE1-CE1 3.87Å; F675-F748 AromaticContact CE1-CE2 3.84Å; F675-F748 HydrophobicContact CE1-CE2 3.84Å; F675-F748 AromaticContact CE1-CG 3.98Å; F675-F748 HydrophobicContact CE1-CG 3.98Å; F675-F748 AromaticContact CE1-CZ 3.85Å; F675-F748 HydrophobicContact CE1-CZ 3.85Å; F675-Q751 PolarHBondContact N-O 2.77Å; F675-L753 HydrophobicContact CB-CD2 4.15Å; F675-L753 HydrophobicContact CD2-CD2 3.81Å; F675-L753 HydrophobicContact CG-CD2 4.37Å; F675-V756 HydrophobicContact CB-CG2 3.73Å; F675-V756 HydrophobicContact CD1-CB 4.41Å; F675-V756 HydrophobicContact CD1-CG1 3.85Å; F675-V756 HydrophobicContact CD1-CG2 3.7Å; F675-V756 HydrophobicContact CD2-CG1 4.44Å; F675-V756 HydrophobicContact CE1-CG1 3.88Å; F675-V756 HydrophobicContact CE1-CG2 4.49Å; F675-V756 HydrophobicContact CG-CB 4.48Å; F675-V756 HydrophobicContact CG-CG1 4.12Å; F675-V756 HydrophobicContact CG-CG2 3.86Å; F675-V756 HydrophobicContact CZ-CG1 4.25Å
676F84.5Confident68.5Low51 Ų5168.7 Ų68.722%0.22436%0.361CS..  trans-113.9144.1-178.4-72.8-97.6000111.9L674 V678 T696 S714 Y717L674-F676 HydrophobicContact CB-CE2 3.97Å; L674-F676 WeakPolarHBondContact O-CD2 3.49Å; F676-V678 HydrophobicContact CB-CG2 3.54Å; F676-V678 VanDerWaalsContact O-CG2 3.25Å; F676-V678 WeakPolarHBondContact O-CG2 3.47Å; F676-V678 PolarHBondContact O-N 2.81Å; F676-T696 HydrophobicContact CD1-CG2 3.89Å; F676-T696 HydrophobicContact CD2-CG2 4.3Å; F676-T696 HydrophobicContact CE1-CG2 3.7Å; F676-T696 HydrophobicContact CE2-CG2 4.12Å; F676-T696 HydrophobicContact CG-CG2 4.19Å; F676-T696 HydrophobicContact CZ-CG2 3.82Å; F676-S714 PolarHBondContact N-OG 2.83Å; F676-S714 WeakPolarHBondContact O-CB 3.17Å; F676-Y717 HydrophobicContact CB-CD1 4.33Å; F676-Y717 HydrophobicContact CD1-CE1 4.28Å; F676-Y717 HydrophobicContact CD2-CD1 4.46Å; F676-Y717 HydrophobicContact CG-CD1 4.3Å; F676-Y717 HydrophobicContact CG-CE1 4.25Å
677D83.8Confident66.3Low14 Ų1470.7 Ų70.78%0.07538%0.379CS..  trans-77.982.1170.9-178.529.6000112.1S693 N694 Q695 F698 R710D677-S693 WeakPolarHBondContact CB-OG 3.44Å; D677-S693 PolarHBondContact OD2-N 3.03Å; D677-S693 PolarHBondContact OD2-OG 2.81Å; D677-N694 WeakPolarHBondContact O-CA 3.37Å; D677-N694 PolarHBondContact O-N 3.24Å; D677-Q695 PolarHBondContact N-O 2.84Å; D677-F698 HydrophobicContact CB-CB 4.25Å; D677-F698 HydrophobicContact CB-CD1 3.6Å; D677-F698 HydrophobicContact CB-CD2 3.7Å; D677-F698 HydrophobicContact CB-CE1 3.68Å; D677-F698 HydrophobicContact CB-CE2 3.76Å; D677-F698 HydrophobicContact CB-CG 3.6Å; D677-F698 HydrophobicContact CB-CZ 3.72Å; D677-R710 IonicContact OD1-CZ 2.77Å; D677-R710 IonicContact OD1-NH1 3.64Å; D677-R710 PolarHBondContact OD1-NH1 2.93Å
678V76.9Confident64.1Low6 Ų677.7 Ų77.74%0.03641%0.411CS..  trans-130155.5-176.8-105.20000111.2F676 N694 R710 S713 Y717F676-V678 HydrophobicContact CB-CG2 3.54Å; F676-V678 VanDerWaalsContact O-CG2 3.25Å; F676-V678 WeakPolarHBondContact O-CG2 3.47Å; F676-V678 PolarHBondContact O-N 2.81Å; V678-N694 WeakPolarHBondContact CG1-OD1 3.23Å; V678-R710 WeakPolarHBondContact O-CD 3.35Å; V678-S713 WeakPolarHBondContact O-CB 3.39Å; V678-Y717 HydrophobicContact CB-CG 4.27Å; V678-Y717 HydrophobicContact CG1-CD1 4.29Å; V678-Y717 HydrophobicContact CG1-CD2 3.8Å; V678-Y717 HydrophobicContact CG1-CE2 4.14Å; V678-Y717 HydrophobicContact CG1-CG 3.87Å; V678-Y717 HydrophobicContact CG2-CD1 4.01Å; V678-Y717 HydrophobicContact CG2-CG 3.87Å
679V70.4Confident62Low38 Ų3883.8 Ų83.823%0.2344%0.444CS..  trans-135114.1173.4-176.60000107.1
680V58.8Low60.3Low66 Ų6688 Ų8840%0.446%0.461SS..  trans-93.9-31.5-169179.50000112.8D682 S713 A716V680-D682 PolarHBondContact O-N 3.11Å; V680-S713 WeakPolarHBondContact CG2-O 3.45Å; V680-A716 HydrophobicContact CB-CB 4.21Å; V680-A716 HydrophobicContact CG1-CB 4.15Å; V680-A716 HydrophobicContact CG2-CB 3.93Å
681D55.2Low58.7Low108 Ų10898.3 Ų98.358%0.57850%0.501SS*.  trans-96.291.7-178.9-86.8-16.1000111.3V683D681-V683 HydrophobicContact CB-CG2 3.82Å; D681-V683 PolarHBondContact O-N 3.01Å; D681-V683 VanDerWaalsContact O-N 3.14Å
682D41.6Very low57.7Low131 Ų131101.5 Ų101.570%0.70151%0.509SS*.  trans-82.343.6170.2-150.94.1000110.8V680 D684V680-D682 PolarHBondContact O-N 3.11Å; D682-D684 PolarHBondContact O-N 2.85Å
683V38.3Very low57.2Low109 Ų10998.4 Ų98.466%0.66150%0.496SS*.  trans-73.185.7178.3-105.80000109.6D681 T685D681-V683 HydrophobicContact CB-CG2 3.82Å; D681-V683 PolarHBondContact O-N 3.01Å; D681-V683 VanDerWaalsContact O-N 3.14Å; V683-T685 VanDerWaalsContact C-N 3.27Å; V683-T685 PolarHBondContact O-N 2.73Å; V683-T685 PolarHBondContact O-OG1 3.43Å
684D32.4Very low56.7Low155 Ų155100.5 Ų100.583%0.82951%0.506SS*.  trans-13.268.4160.5-161.37.6000116.2D682D682-D684 PolarHBondContact O-N 2.85Å
685T37.7Very low56.2Low124 Ų124103.4 Ų103.476%0.76152%0.518SS*.  trans-124.672171.245.80000109.5V683 N687V683-T685 VanDerWaalsContact C-N 3.27Å; V683-T685 PolarHBondContact O-N 2.73Å; V683-T685 PolarHBondContact O-OG1 3.43Å; T685-N687 PolarHBondContact O-N 2.91Å
686Q34.7Very low55.6Low183 Ų183104.5 Ų104.586%0.85553%0.525SS*.SBendtrans64.49.6147.5-67.1-168.21.300121.2
687N34.4Very low55.2Low139 Ų139106.4 Ų106.474%0.74353%0.533SS*.SBendtrans-155.2107.6165.9-90-42.7000114.1T685T685-N687 PolarHBondContact O-N 2.91Å
688K35.2Very low54.9Low175 Ų175106.8 Ų106.876%0.76154%0.535SS*.  trans48.6115.3142.1-59.4-178.3-178.6177.80118.6K690K688-K690 PolarHBondContact O-N 3.46Å; K688-K690 VanDerWaalsContact O-N 3.12Å
689D37.6Very low54.6Low157 Ų157109.1 Ų109.184%0.8455%0.549SS*.  trans-093153.4-73.3-34.1000115Y691D689-Y691 PolarHBondContact O-N 3.45Å
690K46.2Very low54.9Low137 Ų137107.9 Ų107.960%0.59654%0.54SS*.  trans-70.5120.8164.5-69.4-172.8-179.9-173.70107.5K688 R692K688-K690 PolarHBondContact O-N 3.46Å; K688-K690 VanDerWaalsContact O-N 3.12Å; K690-R692 PolarHBondContact O-N 2.95Å
691Y49.8Very low55.6Low217 Ų217107 Ų10785%0.85155%0.545SS*.  trans-53.2132.2178.9-124.7-92.4000110.1D689 R710D689-Y691 PolarHBondContact O-N 3.45Å; Y691-R710 PolarHBondContact O-NH1 2.72Å
692R57Low56.6Low121 Ų121101.9 Ų101.946%0.45752%0.518SS..  trans-139.8129175.660.9-174.3178.4-127.8-3.4108.2K690K690-R692 PolarHBondContact O-N 2.95Å
693S66.9Low58.5Low50 Ų5096.7 Ų96.735%0.3549%0.49SS..  trans-95.6-19.1178.259.20000112.8D677 Q695D677-S693 WeakPolarHBondContact CB-OG 3.44Å; D677-S693 PolarHBondContact OD2-N 3.03Å; D677-S693 PolarHBondContact OD2-OG 2.81Å; S693-Q695 PolarHBondContact O-N 2.79Å; S693-Q695 PolarHBondContact OG-N 2.75Å
694N71.2Confident60.9Low73 Ų7391.5 Ų91.539%0.3946%0.459SS..  trans52.828.5-165.4-70.411.9000112.6D677 V678D677-N694 WeakPolarHBondContact O-CA 3.37Å; D677-N694 PolarHBondContact O-N 3.24Å; V678-N694 WeakPolarHBondContact CG1-OD1 3.23Å
695Q77.1Confident63.4Low116 Ų11689 Ų8954%0.54244%0.439SS..SBendtrans-108.8159.8177.1-62.6-169-10.300110.8D677 S693 K697 F698D677-Q695 PolarHBondContact N-O 2.84Å; S693-Q695 PolarHBondContact O-N 2.79Å; S693-Q695 PolarHBondContact OG-N 2.75Å; Q695-K697 VanDerWaalsContact C-N 3.35Å; Q695-F698 WeakPolarHBondContact O-CD1 3.37Å
696T78.1Confident65.5Low25 Ų2587.2 Ų87.215%0.15342%0.422CS..SBendtrans-87-9.6170.949.30000112.3L674 F675 F676 D750L674-T696 HydrophobicContact CB-CG2 4.1Å; L674-T696 HydrophobicContact CD1-CG2 4.35Å; F675-T696 WeakPolarHBondContact O-CA 3.47Å; F676-T696 HydrophobicContact CD1-CG2 3.89Å; F676-T696 HydrophobicContact CD2-CG2 4.3Å; F676-T696 HydrophobicContact CE1-CG2 3.7Å; F676-T696 HydrophobicContact CE2-CG2 4.12Å; F676-T696 HydrophobicContact CG-CG2 4.19Å; F676-T696 HydrophobicContact CZ-CG2 3.82Å; T696-D750 VanDerWaalsContact CB-OD1 3.24Å; T696-D750 WeakPolarHBondContact CB-OD1 3.47Å; T696-D750 PolarHBondContact O-N 3.06Å; T696-D750 PolarHBondContact OG1-OD1 3.17Å
697K75.3Confident68Low91 Ų9178.5 Ų78.540%0.39638%0.381SS..SBendtrans-112.1109.3175.8-174.9171.2-172.9152.90111.4Q695 F748 E749Q695-K697 VanDerWaalsContact C-N 3.35Å; K697-F748 VanDerWaalsContact CA-O 3.26Å; K697-F748 WeakPolarHBondContact CA-O 3.46Å; K697-E749 HydrophobicContact CD-CG 4.19Å; K697-E749 HydrophobicContact CG-CB 4.4Å; K697-E749 HydrophobicContact CG-CG 4.37Å; K697-E749 IonicContact NZ-OE1 2.89Å; K697-E749 PolarHBondContact NZ-OE1 2.8Å; K697-E749 IonicContact NZ-OE2 3.62Å; K697-E749 PolarHBondContact NZ-OE2 2.92Å; K697-E749 VanDerWaalsContact NZ-OE2 3.1Å
698F77.7Confident70.6Confident22 Ų2272.3 Ų72.310%0.09635%0.348CS..EExtended strand (participates in β ladder)trans-166.2166.5-176.864.7-78.1000112.2F675 D677 Q695 F700 S747 F748F675-F698 HydrophobicContact CD1-CE1 4.1Å; F675-F698 AromaticContact CD1-CZ 3.77Å; F675-F698 HydrophobicContact CD1-CZ 3.77Å; F675-F698 HydrophobicContact CE1-CE1 4.12Å; F675-F698 HydrophobicContact CE1-CE2 4.16Å; F675-F698 AromaticContact CE1-CZ 3.33Å; F675-F698 HydrophobicContact CE1-CZ 3.33Å; F675-F698 AromaticContact CZ-CZ 3.82Å; F675-F698 HydrophobicContact CZ-CZ 3.82Å; D677-F698 HydrophobicContact CB-CB 4.25Å; D677-F698 HydrophobicContact CB-CD1 3.6Å; D677-F698 HydrophobicContact CB-CD2 3.7Å; D677-F698 HydrophobicContact CB-CE1 3.68Å; D677-F698 HydrophobicContact CB-CE2 3.76Å; D677-F698 HydrophobicContact CB-CG 3.6Å; D677-F698 HydrophobicContact CB-CZ 3.72Å; Q695-F698 WeakPolarHBondContact O-CD1 3.37Å; F698-F700 HydrophobicContact CD2-CB 4.3Å; F698-F700 HydrophobicContact CE2-CB 4.03Å; F698-S747 WeakPolarHBondContact O-CA 3.32Å; F698-F748 HydrophobicContact CD1-CB 4.15Å; F698-F748 HydrophobicContact CD2-CD2 4.31Å; F698-F748 HydrophobicContact CE1-CB 3.96Å; F698-F748 HydrophobicContact CE1-CD2 4.26Å; F698-F748 HydrophobicContact CE1-CG 4.3Å; F698-F748 AromaticContact CE2-CD2 3.86Å; F698-F748 HydrophobicContact CE2-CD2 3.86Å; F698-F748 HydrophobicContact CE2-CE2 4.42Å; F698-F748 HydrophobicContact CZ-CB 4.41Å; F698-F748 AromaticContact CZ-CD2 3.85Å; F698-F748 HydrophobicContact CZ-CD2 3.85Å; F698-F748 HydrophobicContact CZ-CG 4.26Å; F698-F748 PolarHBondContact N-O 3.25Å; F698-F748 VanDerWaalsContact N-O 3.09Å; F698-F748 PolarHBondContact O-N 3.47Å
699T70.5Confident72.9Confident55 Ų5566.4 Ų66.434%0.33733%0.332SS..EExtended strand (participates in β ladder)trans-111.3132.7171.8-52.80000109.4E745 S747T699-E745 HydrophobicContact CG2-CG 3.72Å; T699-E745 VanDerWaalsContact CG2-OE1 3.31Å; T699-E745 WeakPolarHBondContact CG2-OE1 3.36Å; T699-S747 WeakPolarHBondContact CG2-OG 3.36Å; T699-S747 PolarHBondContact OG1-OG 2.84Å; T699-S747 VanDerWaalsContact OG1-OG 3.07Å
700F77.9Confident75.3Confident11 Ų1160.6 Ų60.65%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-118.5127.4177.9172.1-89000109.3F698 E706 F707 R710 E745 V746 F748F698-F700 HydrophobicContact CD2-CB 4.3Å; F698-F700 HydrophobicContact CE2-CB 4.03Å; F700-E706 HydrophobicContact CZ-CB 3.87Å; F700-F707 AromaticContact CD1-CD2 3.7Å; F700-F707 HydrophobicContact CD1-CD2 3.7Å; F700-F707 HydrophobicContact CD1-CE2 4.43Å; F700-F707 HydrophobicContact CE1-CB 3.65Å; F700-F707 AromaticContact CE1-CD2 3.63Å; F700-F707 HydrophobicContact CE1-CD2 3.63Å; F700-F707 HydrophobicContact CE1-CG 4.06Å; F700-F707 HydrophobicContact CG-CD2 4.45Å; F700-F707 VanDerWaalsContact CZ-CA 3.48Å; F700-F707 HydrophobicContact CZ-CB 4.01Å; F700-F707 HydrophobicContact CZ-CD2 4.31Å; F700-R710 HydrophobicContact CD2-CB 4.4Å; F700-R710 HydrophobicContact CD2-CG 4.19Å; F700-R710 HydrophobicContact CE2-CB 4.05Å; F700-R710 HydrophobicContact CE2-CG 4.3Å; F700-E745 CarbonylContact O-C 3.56Å; F700-E745 WeakPolarHBondContact O-CA 3.3Å; F700-V746 HydrophobicContact CB-CG2 4.34Å; F700-V746 HydrophobicContact CD1-CG2 3.89Å; F700-V746 PolarHBondContact N-O 2.99Å; F700-V746 PolarHBondContact O-N 3.19Å; F700-F748 HydrophobicContact CB-CE2 4.07Å
701G72.3Confident77.4Confident49 Ų4954.1 Ų54.151%0.50527%0.27SS..EExtended strand (participates in β ladder)trans-120.1119.2169.400000109.2K744G701-K744 WeakPolarHBondContact CA-O 3.39Å
702G76.3Confident79.3Confident0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-171.6169.3179.700000113.4E706 V743 K744G702-E706 WeakPolarHBondContact CA-OE2 3.48Å; G702-V743 WeakPolarHBondContact O-CA 3.3Å; G702-K744 PolarHBondContact N-O 3.3Å; G702-K744 VanDerWaalsContact N-O 3.1Å; G702-K744 PolarHBondContact O-N 2.77Å
703T83Confident80.7Confident21 Ų2139.9 Ų39.913%0.12922%0.22CC..  trans-68.1167.3170.2620000111Y705 E706 F707 V743T703-Y705 PolarHBondContact O-N 2.8Å; T703-E706 PolarHBondContact N-OE2 2.93Å; T703-E706 PolarHBondContact O-N 2.76Å; T703-E706 VanDerWaalsContact O-N 3.07Å; T703-E706 PolarHBondContact OG1-N 2.98Å; T703-E706 PolarHBondContact OG1-OE2 2.92Å; T703-F707 PolarHBondContact O-N 2.73Å; T703-V743 HydrophobicContact CG2-CG2 3.87Å
704I87.7Confident81.7Confident0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-55.4-36.3173.1-174.561.5000111.9E706 F707 V708 V734 T740 I760 F764 L766 V777I704-E706 PolarHBondContact O-N 2.86Å; I704-F707 HydrophobicContact CD1-CD1 4.46Å; I704-F707 PolarHBondContact O-N 3Å; I704-V708 HydrophobicContact CD1-CG2 4.22Å; I704-V708 HydrophobicContact CG1-CG2 4.37Å; I704-V708 WeakPolarHBondContact O-CB 3.16Å; I704-V708 VanDerWaalsContact O-CG2 3.29Å; I704-V708 WeakPolarHBondContact O-CG2 3.33Å; I704-V708 PolarHBondContact O-N 3.38Å; I704-V734 HydrophobicContact CG1-CG2 4.34Å; I704-T740 WeakPolarHBondContact CG2-O 3.16Å; I704-I760 HydrophobicContact CD1-CG1 4.21Å; I704-I760 HydrophobicContact CD1-CG2 4.13Å; I704-F764 HydrophobicContact CB-CD1 3.95Å; I704-F764 HydrophobicContact CB-CE1 4.22Å; I704-F764 HydrophobicContact CD1-CB 4.25Å; I704-F764 HydrophobicContact CD1-CD1 4.16Å; I704-F764 HydrophobicContact CD1-CD2 4.09Å; I704-F764 HydrophobicContact CD1-CE2 4.5Å; I704-F764 HydrophobicContact CD1-CG 3.91Å; I704-L766 HydrophobicContact CB-CD1 4.08Å; I704-L766 HydrophobicContact CD1-CD1 4.21Å; I704-L766 HydrophobicContact CG1-CD1 3.74Å; I704-L766 HydrophobicContact CG2-CD1 4.22Å; I704-V777 HydrophobicContact CD1-CG1 4.27Å; I704-V777 HydrophobicContact CG1-CG1 4.07Å
705Y84.8Confident82.5Confident104 Ų10434 Ų3441%0.40818%0.184SC..Hα-helixtrans-64.8-39.7178.1-60.7-70.3000112.1T703 A709 V734 Y738T703-Y705 PolarHBondContact O-N 2.8Å; Y705-A709 WeakPolarHBondContact O-CB 3.25Å; Y705-A709 PolarHBondContact O-N 2.78Å; Y705-V734 HydrophobicContact CD1-CB 3.98Å; Y705-V734 HydrophobicContact CD1-CG1 4.19Å; Y705-V734 HydrophobicContact CD1-CG2 3.88Å; Y705-V734 HydrophobicContact CE1-CB 3.72Å; Y705-V734 HydrophobicContact CE1-CG1 3.54Å; Y705-V734 HydrophobicContact CE1-CG2 4.09Å; Y705-Y738 PolarHBondContact OH-O 3.44Å
706E81.5Confident82.9Confident85 Ų8529.4 Ų29.440%0.39717%0.166SC..Hα-helixtrans-73.5-36.1177.1-67.1174.6129.300111.9F700 G702 T703 I704 A709 R710F700-E706 HydrophobicContact CZ-CB 3.87Å; G702-E706 WeakPolarHBondContact CA-OE2 3.48Å; T703-E706 PolarHBondContact N-OE2 2.93Å; T703-E706 PolarHBondContact O-N 2.76Å; T703-E706 VanDerWaalsContact O-N 3.07Å; T703-E706 PolarHBondContact OG1-N 2.98Å; T703-E706 PolarHBondContact OG1-OE2 2.92Å; I704-E706 PolarHBondContact O-N 2.86Å; E706-A709 PolarHBondContact O-N 3.49Å; E706-R710 PolarHBondContact O-N 3.2Å
707F87Confident83.1Confident0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-64.5-47.4176.9-172.8-127.3000110.7F700 T703 I704 A709 R710 I711 V746 F748 V756 L759 I760 F764F700-F707 AromaticContact CD1-CD2 3.7Å; F700-F707 HydrophobicContact CD1-CD2 3.7Å; F700-F707 HydrophobicContact CD1-CE2 4.43Å; F700-F707 HydrophobicContact CE1-CB 3.65Å; F700-F707 AromaticContact CE1-CD2 3.63Å; F700-F707 HydrophobicContact CE1-CD2 3.63Å; F700-F707 HydrophobicContact CE1-CG 4.06Å; F700-F707 HydrophobicContact CG-CD2 4.45Å; F700-F707 VanDerWaalsContact CZ-CA 3.48Å; F700-F707 HydrophobicContact CZ-CB 4.01Å; F700-F707 HydrophobicContact CZ-CD2 4.31Å; T703-F707 PolarHBondContact O-N 2.73Å; I704-F707 HydrophobicContact CD1-CD1 4.46Å; I704-F707 PolarHBondContact O-N 3Å; F707-A709 VanDerWaalsContact C-N 3.32Å; F707-A709 PolarHBondContact O-N 2.82Å; F707-R710 WeakPolarHBondContact O-CB 3.44Å; F707-R710 PolarHBondContact O-N 2.88Å; F707-R710 VanDerWaalsContact O-N 3.08Å; F707-I711 HydrophobicContact CD1-CD1 3.86Å; F707-I711 HydrophobicContact CE1-CD1 3.62Å; F707-I711 HydrophobicContact CE2-CD1 4.34Å; F707-I711 HydrophobicContact CE2-CG1 4.41Å; F707-I711 HydrophobicContact CG-CD1 4.35Å; F707-I711 HydrophobicContact CZ-CD1 3.87Å; F707-I711 HydrophobicContact CZ-CG1 4.36Å; F707-I711 WeakPolarHBondContact O-CG1 3.3Å; F707-I711 PolarHBondContact O-N 2.97Å; F707-V746 HydrophobicContact CE2-CG2 4.3Å; F707-F748 HydrophobicContact CE2-CE1 4.45Å; F707-F748 HydrophobicContact CE2-CE2 4.09Å; F707-F748 AromaticContact CE2-CZ 3.51Å; F707-F748 HydrophobicContact CE2-CZ 3.51Å; F707-F748 HydrophobicContact CZ-CE1 4.48Å; F707-F748 AromaticContact CZ-CZ 3.84Å; F707-F748 HydrophobicContact CZ-CZ 3.84Å; F707-V756 HydrophobicContact CE2-CG1 4.19Å; F707-V756 HydrophobicContact CZ-CG1 3.64Å; F707-L759 HydrophobicContact CE1-CB 4.23Å; F707-L759 HydrophobicContact CZ-CB 4.27Å; F707-L759 HydrophobicContact CZ-CD1 4.23Å; F707-I760 HydrophobicContact CD1-CG1 4.43Å; F707-I760 HydrophobicContact CE1-CG1 4.24Å; F707-F764 HydrophobicContact CB-CE2 4.14Å; F707-F764 HydrophobicContact CB-CZ 3.82Å; F707-F764 HydrophobicContact CD1-CD2 4.14Å; F707-F764 AromaticContact CD1-CE2 3.41Å; F707-F764 HydrophobicContact CD1-CE2 3.41Å; F707-F764 VanDerWaalsContact CD1-CE2 3.41Å; F707-F764 HydrophobicContact CD1-CZ 4.01Å; F707-F764 HydrophobicContact CE1-CD2 4.49Å; F707-F764 AromaticContact CE1-CE2 3.9Å; F707-F764 HydrophobicContact CE1-CE2 3.9Å; F707-F764 AromaticContact CG-CE2 3.8Å; F707-F764 HydrophobicContact CG-CE2 3.8Å; F707-F764 AromaticContact CG-CZ 3.96Å; F707-F764 HydrophobicContact CG-CZ 3.96Å
708V88.9Confident83.5Confident9 Ų931.8 Ų31.86%0.05518%0.177CC..Hα-helixtrans-58.5-42.4173.6164.80000111.7I704 R710 I711 N712 V732 V734 V777I704-V708 HydrophobicContact CD1-CG2 4.22Å; I704-V708 HydrophobicContact CG1-CG2 4.37Å; I704-V708 WeakPolarHBondContact O-CB 3.16Å; I704-V708 VanDerWaalsContact O-CG2 3.29Å; I704-V708 WeakPolarHBondContact O-CG2 3.33Å; I704-V708 PolarHBondContact O-N 3.38Å; V708-R710 VanDerWaalsContact C-N 3.3Å; V708-R710 PolarHBondContact O-N 3.3Å; V708-I711 PolarHBondContact O-N 2.89Å; V708-N712 WeakPolarHBondContact O-CB 3.48Å; V708-N712 PolarHBondContact O-N 3.28Å; V708-N712 PolarHBondContact O-ND2 2.87Å; V708-V732 HydrophobicContact CB-CG1 4.43Å; V708-V732 HydrophobicContact CG1-CB 3.96Å; V708-V732 HydrophobicContact CG1-CG1 3.95Å; V708-V732 WeakPolarHBondContact CG1-O 3.47Å; V708-V732 HydrophobicContact CG2-CG1 3.77Å; V708-V734 HydrophobicContact CB-CG2 4.17Å; V708-V734 HydrophobicContact CG1-CG2 4.26Å; V708-V734 HydrophobicContact CG2-CG2 3.76Å; V708-V777 HydrophobicContact CG2-CG2 3.96Å
709A84.7Confident83.6Confident52 Ų5232.5 Ų32.543%0.4319%0.19SC..Hα-helixtrans-62.8-35.5175.500000113Y705 E706 F707 S713Y705-A709 WeakPolarHBondContact O-CB 3.25Å; Y705-A709 PolarHBondContact O-N 2.78Å; E706-A709 PolarHBondContact O-N 3.49Å; F707-A709 VanDerWaalsContact C-N 3.32Å; F707-A709 PolarHBondContact O-N 2.82Å; A709-S713 WeakPolarHBondContact O-CB 3.24Å; A709-S713 PolarHBondContact O-N 3.16Å; A709-S713 PolarHBondContact O-OG 2.96Å
710R86.6Confident84.3Confident35 Ų3531 Ų3113%0.13218%0.18CC..Hα-helixtrans-71.8-42.2176.7-16369.264.7144.8-2.7111.5F675 D677 V678 Y691 F700 E706 F707 V708 S713 S714F675-R710 HydrophobicContact CZ-CG 4.08Å; D677-R710 IonicContact OD1-CZ 2.77Å; D677-R710 IonicContact OD1-NH1 3.64Å; D677-R710 PolarHBondContact OD1-NH1 2.93Å; V678-R710 WeakPolarHBondContact O-CD 3.35Å; Y691-R710 PolarHBondContact O-NH1 2.72Å; F700-R710 HydrophobicContact CD2-CB 4.4Å; F700-R710 HydrophobicContact CD2-CG 4.19Å; F700-R710 HydrophobicContact CE2-CB 4.05Å; F700-R710 HydrophobicContact CE2-CG 4.3Å; E706-R710 PolarHBondContact O-N 3.2Å; F707-R710 WeakPolarHBondContact O-CB 3.44Å; F707-R710 PolarHBondContact O-N 2.88Å; F707-R710 VanDerWaalsContact O-N 3.08Å; V708-R710 VanDerWaalsContact C-N 3.3Å; V708-R710 PolarHBondContact O-N 3.3Å; R710-S713 PolarHBondContact O-N 2.92Å; R710-S714 PolarHBondContact O-N 3.5Å
711I90.5Very high84.7Confident0 Ų032.2 Ų32.20%018%0.184CC..Hα-helixtrans-57.5-50.6172.7-66.6169.6000110.4F675 F707 V708 S713 S714 M715 V732 L753 V756 L757F675-I711 HydrophobicContact CE2-CG1 4.18Å; F675-I711 HydrophobicContact CZ-CG1 4.33Å; F707-I711 HydrophobicContact CD1-CD1 3.86Å; F707-I711 HydrophobicContact CE1-CD1 3.62Å; F707-I711 HydrophobicContact CE2-CD1 4.34Å; F707-I711 HydrophobicContact CE2-CG1 4.41Å; F707-I711 HydrophobicContact CG-CD1 4.35Å; F707-I711 HydrophobicContact CZ-CD1 3.87Å; F707-I711 HydrophobicContact CZ-CG1 4.36Å; F707-I711 WeakPolarHBondContact O-CG1 3.3Å; F707-I711 PolarHBondContact O-N 2.97Å; V708-I711 PolarHBondContact O-N 2.89Å; I711-S713 VanDerWaalsContact C-N 3.29Å; I711-S713 PolarHBondContact O-N 2.9Å; I711-S714 WeakPolarHBondContact O-CB 3.42Å; I711-S714 PolarHBondContact O-N 3.33Å; I711-S714 VanDerWaalsContact O-N 3.12Å; I711-M715 HydrophobicContact CG2-CE 3.67Å; I711-M715 HydrophobicContact CG2-CG 4.38Å; I711-M715 HydrophobicContact CG2-SD 4.2Å; I711-M715 WeakPolarHBondContact O-CG 3.36Å; I711-M715 PolarHBondContact O-N 2.81Å; I711-V732 HydrophobicContact CG2-CG2 3.76Å; I711-L753 HydrophobicContact CG2-CD2 4.49Å; I711-V756 HydrophobicContact CD1-CG1 4.16Å; I711-V756 HydrophobicContact CG1-CG1 4.07Å; I711-L757 HydrophobicContact CD1-CD2 4.28Å; I711-L757 HydrophobicContact CG2-CD2 4.35Å
712N91.6Very high85Confident23 Ų2335.7 Ų35.712%0.12318%0.182CC..Hα-helixtrans-61.2-37.3178.8-74.8-23.1000112.7V708 M715 A716 Y721 Y731 V732V708-N712 WeakPolarHBondContact O-CB 3.48Å; V708-N712 PolarHBondContact O-N 3.28Å; V708-N712 PolarHBondContact O-ND2 2.87Å; N712-M715 PolarHBondContact O-N 2.86Å; N712-A716 WeakPolarHBondContact O-CB 3.33Å; N712-A716 PolarHBondContact O-N 2.73Å; N712-Y721 HydrophobicContact CB-CD1 4.27Å; N712-Y721 HydrophobicContact CB-CE1 4.34Å; N712-Y731 WeakPolarHBondContact OD1-CA 3.45Å; N712-V732 PolarHBondContact ND2-O 3.39Å; N712-V732 PolarHBondContact OD1-N 3.24Å
713S85Confident84.8Confident17 Ų1737.6 Ų37.612%0.11919%0.194CC..Hα-helixtrans-65.2-41.7174.8-65.20000111.8V678 V680 A709 R710 I711 A716 Y717V678-S713 WeakPolarHBondContact O-CB 3.39Å; V680-S713 WeakPolarHBondContact CG2-O 3.45Å; A709-S713 WeakPolarHBondContact O-CB 3.24Å; A709-S713 PolarHBondContact O-N 3.16Å; A709-S713 PolarHBondContact O-OG 2.96Å; R710-S713 PolarHBondContact O-N 2.92Å; I711-S713 VanDerWaalsContact C-N 3.29Å; I711-S713 PolarHBondContact O-N 2.9Å; S713-A716 PolarHBondContact O-N 2.86Å; S713-Y717 WeakPolarHBondContact O-CB 3.24Å; S713-Y717 PolarHBondContact O-N 3.45Å
714S87.4Confident84.3Confident0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-63.7-44.1173.4-173.50000112.3F675 F676 R710 I711 A716 Y717 C718F675-S714 VanDerWaalsContact CD2-CB 3.48Å; F675-S714 WeakPolarHBondContact CD2-OG 3.21Å; F676-S714 PolarHBondContact N-OG 2.83Å; F676-S714 WeakPolarHBondContact O-CB 3.17Å; R710-S714 PolarHBondContact O-N 3.5Å; I711-S714 WeakPolarHBondContact O-CB 3.42Å; I711-S714 PolarHBondContact O-N 3.33Å; I711-S714 VanDerWaalsContact O-N 3.12Å; S714-A716 VanDerWaalsContact C-N 3.28Å; S714-A716 PolarHBondContact O-N 3.07Å; S714-Y717 PolarHBondContact O-N 2.77Å; S714-C718 WeakPolarHBondContact O-CB 3.47Å; S714-C718 PolarHBondContact O-N 3.09Å; S714-C718 PolarHBondContact O-SG 2.9Å
715M88.5Confident83.7Confident0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-60.6-39.3175.7-71-175177.200111.4L670 I711 N712 C718 G719 L720 Y721 V732 L753 L757L670-M715 HydrophobicContact CD2-CE 3.74Å; I711-M715 HydrophobicContact CG2-CE 3.67Å; I711-M715 HydrophobicContact CG2-CG 4.38Å; I711-M715 HydrophobicContact CG2-SD 4.2Å; I711-M715 WeakPolarHBondContact O-CG 3.36Å; I711-M715 PolarHBondContact O-N 2.81Å; N712-M715 PolarHBondContact O-N 2.86Å; M715-C718 PolarHBondContact O-N 2.85Å; M715-G719 PolarHBondContact O-N 3.36Å; M715-L720 HydrophobicContact CB-CB 4.29Å; M715-L720 WeakPolarHBondContact O-CA 3.26Å; M715-L720 WeakPolarHBondContact O-CB 3.3Å; M715-L720 PolarHBondContact O-N 3.4Å; M715-Y721 PolarHBondContact O-N 3.25Å; M715-V732 HydrophobicContact CE-CG2 4.2Å; M715-L753 HydrophobicContact CE-CD1 4.44Å; M715-L753 HydrophobicContact CE-CD2 4.41Å; M715-L753 HydrophobicContact CG-CD1 3.9Å; M715-L753 HydrophobicContact CG-CD2 4.27Å; M715-L757 HydrophobicContact CE-CD1 4.38Å
716A85Confident82.9Confident19 Ų1952.5 Ų52.516%0.15728%0.276CS..Hα-helixtrans-68.8-42.8176.900000112.4V680 N712 S713 S714 C718 G719 Y721V680-A716 HydrophobicContact CB-CB 4.21Å; V680-A716 HydrophobicContact CG1-CB 4.15Å; V680-A716 HydrophobicContact CG2-CB 3.93Å; N712-A716 WeakPolarHBondContact O-CB 3.33Å; N712-A716 PolarHBondContact O-N 2.73Å; S713-A716 PolarHBondContact O-N 2.86Å; S714-A716 VanDerWaalsContact C-N 3.28Å; S714-A716 PolarHBondContact O-N 3.07Å; A716-C718 VanDerWaalsContact C-N 3.28Å; A716-C718 PolarHBondContact O-N 2.99Å; A716-G719 PolarHBondContact O-N 3.18Å; A716-Y721 VanDerWaalsContact CA-O 3.26Å; A716-Y721 WeakPolarHBondContact CA-O 3.35Å; A716-Y721 HydrophobicContact CB-CD1 4.05Å; A716-Y721 HydrophobicContact CB-CG 4.5Å
717Y83Confident82.4Confident122 Ų12255.2 Ų55.248%0.47828%0.284SS..Hα-helixtrans-60.1-38.1174.8-179.4-105.1000112.3F676 V678 S713 S714 G719F676-Y717 HydrophobicContact CB-CD1 4.33Å; F676-Y717 HydrophobicContact CD1-CE1 4.28Å; F676-Y717 HydrophobicContact CD2-CD1 4.46Å; F676-Y717 HydrophobicContact CG-CD1 4.3Å; F676-Y717 HydrophobicContact CG-CE1 4.25Å; V678-Y717 HydrophobicContact CB-CG 4.27Å; V678-Y717 HydrophobicContact CG1-CD1 4.29Å; V678-Y717 HydrophobicContact CG1-CD2 3.8Å; V678-Y717 HydrophobicContact CG1-CE2 4.14Å; V678-Y717 HydrophobicContact CG1-CG 3.87Å; V678-Y717 HydrophobicContact CG2-CD1 4.01Å; V678-Y717 HydrophobicContact CG2-CG 3.87Å; S713-Y717 WeakPolarHBondContact O-CB 3.24Å; S713-Y717 PolarHBondContact O-N 3.45Å; S714-Y717 PolarHBondContact O-N 2.77Å; Y717-G719 PolarHBondContact O-N 3.31Å
718C83.2Confident81.8Confident44 Ų4459.4 Ų59.430%0.29730%0.302SS..THydrogen-bonded Turntrans-78.9-0.1175.5-59.20000113.6T673 S714 M715 A716 L720T673-C718 HydrophobicContact CG2-CB 3.72Å; S714-C718 WeakPolarHBondContact O-CB 3.47Å; S714-C718 PolarHBondContact O-N 3.09Å; S714-C718 PolarHBondContact O-SG 2.9Å; M715-C718 PolarHBondContact O-N 2.85Å; A716-C718 VanDerWaalsContact C-N 3.28Å; A716-C718 PolarHBondContact O-N 2.99Å; C718-L720 VanDerWaalsContact C-N 3.29Å; C718-L720 HydrophobicContact CB-CD1 4.48Å; C718-L720 HydrophobicContact CB-CG 4.3Å; C718-L720 PolarHBondContact O-N 3.44Å
719G80.9Confident81.5Confident36 Ų3659.5 Ų59.537%0.37130%0.304SS..THydrogen-bonded Turntrans75.610.7179.900000115.4M715 A716 Y717M715-G719 PolarHBondContact O-N 3.36Å; A716-G719 PolarHBondContact O-N 3.18Å; Y717-G719 PolarHBondContact O-N 3.31Å
720L85.1Confident81.6Confident23 Ų2357.4 Ų57.412%0.1229%0.285CS..SBendtrans-84-29.4177.4-60.3179000112.7L669 L670 T673 M715 C718 G729 Y730 L753L669-L720 HydrophobicContact CB-CD2 4.07Å; L669-L720 HydrophobicContact CD1-CD2 3.89Å; L670-L720 HydrophobicContact CD2-CD1 3.91Å; T673-L720 HydrophobicContact CG2-CD1 3.88Å; M715-L720 HydrophobicContact CB-CB 4.29Å; M715-L720 WeakPolarHBondContact O-CA 3.26Å; M715-L720 WeakPolarHBondContact O-CB 3.3Å; M715-L720 PolarHBondContact O-N 3.4Å; C718-L720 VanDerWaalsContact C-N 3.29Å; C718-L720 HydrophobicContact CB-CD1 4.48Å; C718-L720 HydrophobicContact CB-CG 4.3Å; C718-L720 PolarHBondContact O-N 3.44Å; L720-G729 CarbonylContact O-C 3.58Å; L720-G729 WeakPolarHBondContact O-CA 3.46Å; L720-Y730 PolarHBondContact O-N 3.45Å; L720-L753 HydrophobicContact CD1-CD1 3.76Å
721Y86.7Confident81.7Confident38 Ų3858.1 Ų58.115%0.14929%0.288CS..BIsolated β-bridgetrans-112.2127.2174.4-176.2-139.3000111N712 M715 A716 P723 K728 Y730 Y731N712-Y721 HydrophobicContact CB-CD1 4.27Å; N712-Y721 HydrophobicContact CB-CE1 4.34Å; M715-Y721 PolarHBondContact O-N 3.25Å; A716-Y721 VanDerWaalsContact CA-O 3.26Å; A716-Y721 WeakPolarHBondContact CA-O 3.35Å; A716-Y721 HydrophobicContact CB-CD1 4.05Å; A716-Y721 HydrophobicContact CB-CG 4.5Å; Y721-P723 HydrophobicContact CD1-CG 4.34Å; Y721-P723 HydrophobicContact CE1-CB 3.79Å; Y721-P723 HydrophobicContact CE1-CG 4.02Å; Y721-P723 HydrophobicContact CE2-CB 4.35Å; Y721-K728 CarbonylContact C-O 3.48Å; Y721-K728 WeakPolarHBondContact CA-O 3.32Å; Y721-K728 HydrophobicContact CD2-CB 4.3Å; Y721-K728 VanDerWaalsContact CD2-O 3.23Å; Y721-K728 WeakPolarHBondContact CD2-O 3.04Å; Y721-K728 HydrophobicContact CE2-CB 3.96Å; Y721-K728 HydrophobicContact CE2-CD 4.37Å; Y721-Y730 VanDerWaalsContact CB-O 3.23Å; Y721-Y730 WeakPolarHBondContact CB-O 2.94Å; Y721-Y731 VanDerWaalsContact CD2-CB 3.48Å; Y721-Y731 HydrophobicContact CD2-CD1 4.07Å; Y721-Y731 AromaticContact CD2-CG 3.96Å; Y721-Y731 HydrophobicContact CD2-CG 3.96Å; Y721-Y731 VanDerWaalsContact CE2-CB 3.42Å; Y721-Y731 AromaticContact CE2-CD1 3.7Å; Y721-Y731 HydrophobicContact CE2-CD1 3.7Å; Y721-Y731 HydrophobicContact CE2-CD2 4.11Å; Y721-Y731 AromaticContact CE2-CG 3.48Å; Y721-Y731 HydrophobicContact CE2-CG 3.48Å; Y721-Y731 VanDerWaalsContact CE2-CG 3.48Å
722R78.9Confident81.7Confident121 Ų12158.2 Ų58.246%0.45729%0.289SS..  trans-126.178.7-179.6-59.4-174.9-167.71760.9109.3T724 E725 K728R722-T724 PolarHBondContact O-N 3.42Å; R722-E725 HydrophobicContact CB-CB 4.01Å; R722-E725 HydrophobicContact CB-CG 4.08Å; R722-E725 WeakPolarHBondContact CD-OE1 3.41Å; R722-E725 WeakPolarHBondContact CD-OE2 3.27Å; R722-E725 IonicContact CZ-OE2 3.1Å; R722-E725 IonicContact NE-OE2 2.72Å; R722-E725 IonicContact NH1-OE1 2.8Å; R722-E725 IonicContact NH1-OE2 3.91Å; R722-E725 PolarHBondContact NH1-OE2 3.43Å; R722-E725 PolarHBondContact O-N 2.86Å; R722-K728 PolarHBondContact N-O 2.81Å; R722-K728 WeakPolarHBondContact O-CA 3.35Å
723P70.1Confident81.6Confident40 Ų4059 Ų5926%0.2629%0.294SS..THydrogen-bonded Turntrans-58-25.8-170.418.2-29.8000114Y721Y721-P723 HydrophobicContact CD1-CG 4.34Å; Y721-P723 HydrophobicContact CE1-CB 3.79Å; Y721-P723 HydrophobicContact CE1-CG 4.02Å; Y721-P723 HydrophobicContact CE2-CB 4.35Å
724T73.8Confident81.6Confident138 Ų13859.7 Ų59.785%0.84730%0.298SS*.THydrogen-bonded Turntrans-90.4-11.1-178.555.30000115R722R722-T724 PolarHBondContact O-N 3.42Å
725E73.9Confident81.5Confident92 Ų9261.6 Ų61.643%0.4331%0.308SS..SBendtrans-91.8155179.6-68.7-174.5-168.700111.4R722 Y727 K728R722-E725 HydrophobicContact CB-CB 4.01Å; R722-E725 HydrophobicContact CB-CG 4.08Å; R722-E725 WeakPolarHBondContact CD-OE1 3.41Å; R722-E725 WeakPolarHBondContact CD-OE2 3.27Å; R722-E725 IonicContact CZ-OE2 3.1Å; R722-E725 IonicContact NE-OE2 2.72Å; R722-E725 IonicContact NH1-OE1 2.8Å; R722-E725 IonicContact NH1-OE2 3.91Å; R722-E725 PolarHBondContact NH1-OE2 3.43Å; R722-E725 PolarHBondContact O-N 2.86Å; E725-Y727 VanDerWaalsContact C-N 3.3Å; E725-Y727 PolarHBondContact O-N 3.37Å; E725-K728 WeakPolarHBondContact O-CG 3.3Å
726E69.7Low80.9Confident208 Ų20871.5 Ų71.597%0.97235%0.354SS*.SBendtrans-63.4-38.5176.6-169.3175-165.100111.2
727Y70.1Confident80.3Confident143 Ų14374.4 Ų74.456%0.56139%0.386SS*.SBendtrans-94.998.3166.9-177.4-100.7000109.6E725 G729 N773E725-Y727 VanDerWaalsContact C-N 3.3Å; E725-Y727 PolarHBondContact O-N 3.37Å; Y727-G729 VanDerWaalsContact C-N 3.28Å; Y727-G729 PolarHBondContact O-N 3.21Å; Y727-N773 WeakPolarHBondContact CE2-ND2 3.26Å; Y727-N773 PolarHBondContact OH-ND2 2.8Å
728K75Confident79.3Confident88 Ų8871.5 Ų71.538%0.38338%0.375SS..  trans-74.6-11.2-173.1-63.9-175.6179.2-1790114.7Y721 R722 E725 Y731Y721-K728 CarbonylContact C-O 3.48Å; Y721-K728 WeakPolarHBondContact CA-O 3.32Å; Y721-K728 HydrophobicContact CD2-CB 4.3Å; Y721-K728 VanDerWaalsContact CD2-O 3.23Å; Y721-K728 WeakPolarHBondContact CD2-O 3.04Å; Y721-K728 HydrophobicContact CE2-CB 3.96Å; Y721-K728 HydrophobicContact CE2-CD 4.37Å; R722-K728 PolarHBondContact N-O 2.81Å; R722-K728 WeakPolarHBondContact O-CA 3.35Å; E725-K728 WeakPolarHBondContact O-CG 3.3Å; K728-Y731 HydrophobicContact CB-CD1 4.46Å; K728-Y731 HydrophobicContact CB-CE1 4.34Å
729G82.4Confident78.4Confident10 Ų1070.6 Ų70.610%0.10337%0.373CS..BIsolated β-bridgetrans70.2-145.2-171.700000112.5L720 Y727 N773L720-G729 CarbonylContact O-C 3.58Å; L720-G729 WeakPolarHBondContact O-CA 3.46Å; Y727-G729 VanDerWaalsContact C-N 3.28Å; Y727-G729 PolarHBondContact O-N 3.21Å; G729-N773 WeakPolarHBondContact O-CB 3.46Å
730Y85.8Confident77.8Confident8 Ų870.8 Ų70.83%0.03137%0.367CS..SBendtrans-91.3133.2-175.1-66.1-74.3000112.1R666 R667 L720 Y721 W770 N773R666-Y730 VanDerWaalsContact CB-OH 3.25Å; R666-Y730 WeakPolarHBondContact CB-OH 3.24Å; R666-Y730 HydrophobicContact CG-CE2 4.49Å; R667-Y730 HydrophobicContact CG-CD1 4.35Å; R667-Y730 HydrophobicContact CG-CE1 3.63Å; R667-Y730 PolarHBondContact N-OH 3.43Å; R667-Y730 VanDerWaalsContact N-OH 3.16Å; L720-Y730 PolarHBondContact O-N 3.45Å; Y721-Y730 VanDerWaalsContact CB-O 3.23Å; Y721-Y730 WeakPolarHBondContact CB-O 2.94Å; Y730-W770 HydrophobicContact CD1-CZ3 4.19Å; Y730-N773 WeakPolarHBondContact CA-O 3.39Å; Y730-N773 HydrophobicContact CD1-CB 3.95Å; Y730-N773 HydrophobicContact CE1-CB 3.94Å; Y730-N773 VanDerWaalsContact CE1-OD1 3.29Å; Y730-N773 WeakPolarHBondContact CE1-OD1 3.32Å; Y730-N773 PolarHBondContact OH-OD1 2.93Å
731Y88.5Confident77.2Confident51 Ų5175.3 Ų75.320%0.239%0.391CS..EExtended strand (participates in β ladder)trans-157.4161.7173.666.4-71.3000112.3N712 Y721 K728 V733 N773 V774 C775N712-Y731 WeakPolarHBondContact OD1-CA 3.45Å; Y721-Y731 VanDerWaalsContact CD2-CB 3.48Å; Y721-Y731 HydrophobicContact CD2-CD1 4.07Å; Y721-Y731 AromaticContact CD2-CG 3.96Å; Y721-Y731 HydrophobicContact CD2-CG 3.96Å; Y721-Y731 VanDerWaalsContact CE2-CB 3.42Å; Y721-Y731 AromaticContact CE2-CD1 3.7Å; Y721-Y731 HydrophobicContact CE2-CD1 3.7Å; Y721-Y731 HydrophobicContact CE2-CD2 4.11Å; Y721-Y731 AromaticContact CE2-CG 3.48Å; Y721-Y731 HydrophobicContact CE2-CG 3.48Å; Y721-Y731 VanDerWaalsContact CE2-CG 3.48Å; K728-Y731 HydrophobicContact CB-CD1 4.46Å; K728-Y731 HydrophobicContact CB-CE1 4.34Å; Y731-V733 HydrophobicContact CD2-CG1 3.66Å; Y731-V733 HydrophobicContact CE2-CG1 3.38Å; Y731-N773 PolarHBondContact N-O 3.29Å; Y731-V774 HydrophobicContact CD1-CG2 4.38Å; Y731-V774 HydrophobicContact CD2-CG1 4.42Å; Y731-V774 HydrophobicContact CE1-CB 4.43Å; Y731-V774 HydrophobicContact CE1-CG1 4.3Å; Y731-V774 HydrophobicContact CE1-CG2 3.55Å; Y731-V774 HydrophobicContact CE2-CG1 3.99Å; Y731-V774 WeakPolarHBondContact O-CA 3.13Å; Y731-C775 PolarHBondContact O-N 3.13Å
732V90.9Very high76.3Confident1 Ų177.7 Ų77.71%0.00640%0.404CS..EExtended strand (participates in β ladder)trans-107.7136.3-179.1-170.10000109.9V708 I711 N712 M715 L757 I760 C775 V777V708-V732 HydrophobicContact CB-CG1 4.43Å; V708-V732 HydrophobicContact CG1-CB 3.96Å; V708-V732 HydrophobicContact CG1-CG1 3.95Å; V708-V732 WeakPolarHBondContact CG1-O 3.47Å; V708-V732 HydrophobicContact CG2-CG1 3.77Å; I711-V732 HydrophobicContact CG2-CG2 3.76Å; N712-V732 PolarHBondContact ND2-O 3.39Å; N712-V732 PolarHBondContact OD1-N 3.24Å; M715-V732 HydrophobicContact CE-CG2 4.2Å; V732-L757 HydrophobicContact CG2-CD2 3.57Å; V732-I760 HydrophobicContact CG1-CD1 4.44Å; V732-C775 CarbonylContact C-O 3.36Å; V732-C775 VanDerWaalsContact CA-O 3.25Å; V732-C775 WeakPolarHBondContact CA-O 3.49Å; V732-C775 HydrophobicContact CB-CB 4.42Å; V732-C775 HydrophobicContact CG1-CB 4.28Å; V732-C775 HydrophobicContact CG2-CB 4.09Å; V732-V777 HydrophobicContact CG1-CG2 3.85Å
733V89.1Confident75.9Confident40 Ų4076.3 Ų76.324%0.24241%0.409CS..EExtended strand (participates in β ladder)trans-127.3150.6173.5-63.40000109.8Y731 V774 C775 H776 V777Y731-V733 HydrophobicContact CD2-CG1 3.66Å; Y731-V733 HydrophobicContact CE2-CG1 3.38Å; V733-V774 HydrophobicContact CB-CG1 4.47Å; V733-V774 HydrophobicContact CG1-CG1 4.12Å; V733-V774 HydrophobicContact CG2-CG1 3.61Å; V733-C775 PolarHBondContact N-O 3.45Å; V733-H776 HydrophobicContact CG2-CB 4.43Å; V733-H776 WeakPolarHBondContact CG2-ND1 3.48Å; V733-H776 CarbonylContact O-C 3.56Å; V733-H776 WeakPolarHBondContact O-CA 3.07Å; V733-V777 PolarHBondContact O-N 3.14Å
734V85.9Confident75.7Confident31 Ų3176.4 Ų76.419%0.18841%0.405CS..EExtended strand (participates in β ladder)trans-100124.6170.5-173.70000107.6I704 Y705 V708 Y738 V777I704-V734 HydrophobicContact CG1-CG2 4.34Å; Y705-V734 HydrophobicContact CD1-CB 3.98Å; Y705-V734 HydrophobicContact CD1-CG1 4.19Å; Y705-V734 HydrophobicContact CD1-CG2 3.88Å; Y705-V734 HydrophobicContact CE1-CB 3.72Å; Y705-V734 HydrophobicContact CE1-CG1 3.54Å; Y705-V734 HydrophobicContact CE1-CG2 4.09Å; V708-V734 HydrophobicContact CB-CG2 4.17Å; V708-V734 HydrophobicContact CG1-CG2 4.26Å; V708-V734 HydrophobicContact CG2-CG2 3.76Å; V734-Y738 WeakPolarHBondContact CG1-O 3.48Å; V734-V777 HydrophobicContact CB-CB 4.47Å; V734-V777 HydrophobicContact CG1-CB 4.35Å; V734-V777 HydrophobicContact CG2-CB 4.22Å; V734-V777 HydrophobicContact CG2-CG2 4.36Å
735D85Confident75.5Confident41 Ų4177 Ų7722%0.21940%0.398CS..PPolyproline II helixtrans-65.6150.6179.9-76.3-19.2000111.8G737 Y738 Y769 H776 V777 G778D735-G737 PolarHBondContact O-N 2.92Å; D735-Y738 PolarHBondContact O-N 3.01Å; D735-Y769 WeakPolarHBondContact OD2-CE1 3.21Å; D735-Y769 PolarHBondContact OD2-OH 2.82Å; D735-H776 IonicContact OD1-CE1 2.83Å; D735-H776 IonicContact OD1-CG 2.8Å; D735-H776 IonicContact OD1-ND1 2.78Å; D735-H776 PolarHBondContact OD1-ND1 3.37Å; D735-V777 PolarHBondContact N-O 2.98Å; D735-G778 WeakPolarHBondContact OD2-CA 3.21Å
736E75.3Confident75.5Confident208 Ų20873.3 Ų73.397%0.97238%0.382SS*.THydrogen-bonded Turntrans-61.9121179.7-167.4175.1-172.700110.9Y738E736-Y738 VanDerWaalsContact C-N 3.29Å
737G72.2Confident75.7Confident80 Ų8066 Ų6683%0.82535%0.353SS*.THydrogen-bonded Turntrans83.6-2.7-17600000114.9D735D735-G737 PolarHBondContact O-N 2.92Å
738Y63.7Low76.2Confident60 Ų6059.4 Ų59.424%0.23533%0.328CS..  trans-100.5147.2168.6-134.8-105.3000109.2Y705 V734 D735 E736 L766 V777 G778 K779Y705-Y738 PolarHBondContact OH-O 3.44Å; V734-Y738 WeakPolarHBondContact CG1-O 3.48Å; D735-Y738 PolarHBondContact O-N 3.01Å; E736-Y738 VanDerWaalsContact C-N 3.29Å; Y738-L766 HydrophobicContact CD1-CD2 4.1Å; Y738-L766 HydrophobicContact CE1-CB 4.24Å; Y738-L766 HydrophobicContact CE1-CD2 3.87Å; Y738-V777 HydrophobicContact CD1-CG1 4.28Å; Y738-V777 WeakPolarHBondContact CD1-O 3.45Å; Y738-G778 VanDerWaalsContact CD1-N 3.28Å; Y738-K779 HydrophobicContact CE2-CB 3.86Å
739G64.3Low76.3Confident25 Ų2558.5 Ų58.526%0.25833%0.325SS..  trans109.3159.6-174.900000114.1
740T67.8Low76.3Confident41 Ų4162.5 Ų62.525%0.25234%0.344SS..  trans-129.9143.3-176.275.10000109.4I704 E742 L766I704-T740 WeakPolarHBondContact CG2-O 3.16Å; T740-E742 PolarHBondContact O-N 3Å; T740-E742 VanDerWaalsContact O-N 3.14Å; T740-E742 WeakPolarHBondContact OG1-CB 3.47Å; T740-E742 PolarHBondContact OG1-N 2.78Å; T740-L766 HydrophobicContact CG2-CD1 4.46Å; T740-L766 HydrophobicContact CG2-CD2 4.3Å
741D72.4Confident76.2Confident118 Ų11864.3 Ų64.363%0.63135%0.353SS*.SBendtrans-77.818.8166.5-58.5-36.9000111
742E68.6Low76.2Confident87 Ų8766.8 Ų66.841%0.40736%0.362SS..  trans-81.1120.2175.7-163-174.2168.700108.9T740 K744T740-E742 PolarHBondContact O-N 3Å; T740-E742 VanDerWaalsContact O-N 3.14Å; T740-E742 WeakPolarHBondContact OG1-CB 3.47Å; T740-E742 PolarHBondContact OG1-N 2.78Å; E742-K744 VanDerWaalsContact CD-CE 3.47Å; E742-K744 WeakPolarHBondContact OE1-CE 3.37Å; E742-K744 IonicContact OE1-NZ 3.63Å; E742-K744 PolarHBondContact OE1-NZ 2.82Å; E742-K744 IonicContact OE2-NZ 3.75Å; E742-K744 PolarHBondContact OE2-NZ 2.95Å
743V68.7Low76Confident93 Ų9366.7 Ų66.756%0.56436%0.362SS*.  trans-79.4120.1175.4175.60000108G702 T703G702-V743 WeakPolarHBondContact O-CA 3.3Å; T703-V743 HydrophobicContact CG2-CG2 3.87Å
744K67.7Low75.7Confident41 Ų4165.8 Ų65.818%0.17836%0.356CS..EExtended strand (participates in β ladder)trans-108.1144.7171-59.4-69.2-169-177.60109.1G701 G702 E742 T763 F764G701-K744 WeakPolarHBondContact CA-O 3.39Å; G702-K744 PolarHBondContact N-O 3.3Å; G702-K744 VanDerWaalsContact N-O 3.1Å; G702-K744 PolarHBondContact O-N 2.77Å; E742-K744 VanDerWaalsContact CD-CE 3.47Å; E742-K744 WeakPolarHBondContact OE1-CE 3.37Å; E742-K744 IonicContact OE1-NZ 3.63Å; E742-K744 PolarHBondContact OE1-NZ 2.82Å; E742-K744 IonicContact OE2-NZ 3.75Å; E742-K744 PolarHBondContact OE2-NZ 2.95Å; K744-T763 HydrophobicContact CB-CG2 4Å; K744-T763 VanDerWaalsContact CE-O 3.23Å; K744-T763 WeakPolarHBondContact CE-O 3.43Å; K744-T763 HydrophobicContact CG-CG2 4.23Å; K744-F764 HydrophobicContact CB-CD1 4.15Å; K744-F764 HydrophobicContact CB-CE1 3.65Å; K744-F764 HydrophobicContact CB-CE2 4.38Å; K744-F764 HydrophobicContact CB-CZ 3.78Å; K744-F764 HydrophobicContact CG-CD1 3.58Å; K744-F764 HydrophobicContact CG-CE1 3.59Å; K744-F764 HydrophobicContact CG-CG 4.16Å; K744-F764 HydrophobicContact CG-CZ 4.17Å
745E69.1Low75.5Confident151 Ų15167.9 Ų67.971%0.70637%0.367SS*.EExtended strand (participates in β ladder)trans-106.9127.7174.9-167.5178.1162.700109.9T699 F700T699-E745 HydrophobicContact CG2-CG 3.72Å; T699-E745 VanDerWaalsContact CG2-OE1 3.31Å; T699-E745 WeakPolarHBondContact CG2-OE1 3.36Å; F700-E745 CarbonylContact O-C 3.56Å; F700-E745 WeakPolarHBondContact O-CA 3.3Å
746V73.2Confident75.6Confident15 Ų1565.9 Ų65.99%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-135.4137.8-177.3-86.80000109.7F700 F707 F748 L759 T763F700-V746 HydrophobicContact CB-CG2 4.34Å; F700-V746 HydrophobicContact CD1-CG2 3.89Å; F700-V746 PolarHBondContact N-O 2.99Å; F700-V746 PolarHBondContact O-N 3.19Å; F707-V746 HydrophobicContact CE2-CG2 4.3Å; V746-F748 HydrophobicContact CB-CE2 3.86Å; V746-F748 HydrophobicContact CB-CZ 3.88Å; V746-F748 HydrophobicContact CG2-CE2 3.58Å; V746-F748 HydrophobicContact CG2-CZ 3.7Å; V746-L759 HydrophobicContact CG1-CD1 4.35Å; V746-T763 HydrophobicContact CG1-CG2 3.72Å
747S74Confident76.1Confident53 Ų5356.1 Ų56.137%0.37131%0.311SS..EExtended strand (participates in β ladder)trans-110.8136.2175.8-64.60000110F698 T699F698-S747 WeakPolarHBondContact O-CA 3.32Å; T699-S747 WeakPolarHBondContact CG2-OG 3.36Å; T699-S747 PolarHBondContact OG1-OG 2.84Å; T699-S747 VanDerWaalsContact OG1-OG 3.07Å
748F79.7Confident76.6Confident6 Ų654.5 Ų54.53%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-116.8143.7-176.4-62.1-82.1000110.2F675 K697 F698 F700 F707 V746 Q751 V756 L759F675-F748 AromaticContact CD1-CD1 3.71Å; F675-F748 HydrophobicContact CD1-CD1 3.71Å; F675-F748 HydrophobicContact CD1-CD2 4.33Å; F675-F748 AromaticContact CD1-CE1 3.96Å; F675-F748 HydrophobicContact CD1-CE1 3.96Å; F675-F748 AromaticContact CD1-CG 3.92Å; F675-F748 HydrophobicContact CD1-CG 3.92Å; F675-F748 HydrophobicContact CD1-CZ 4.4Å; F675-F748 AromaticContact CE1-CD1 3.94Å; F675-F748 HydrophobicContact CE1-CD1 3.94Å; F675-F748 AromaticContact CE1-CD2 3.92Å; F675-F748 HydrophobicContact CE1-CD2 3.92Å; F675-F748 AromaticContact CE1-CE1 3.87Å; F675-F748 HydrophobicContact CE1-CE1 3.87Å; F675-F748 AromaticContact CE1-CE2 3.84Å; F675-F748 HydrophobicContact CE1-CE2 3.84Å; F675-F748 AromaticContact CE1-CG 3.98Å; F675-F748 HydrophobicContact CE1-CG 3.98Å; F675-F748 AromaticContact CE1-CZ 3.85Å; F675-F748 HydrophobicContact CE1-CZ 3.85Å; K697-F748 VanDerWaalsContact CA-O 3.26Å; K697-F748 WeakPolarHBondContact CA-O 3.46Å; F698-F748 HydrophobicContact CD1-CB 4.15Å; F698-F748 HydrophobicContact CD2-CD2 4.31Å; F698-F748 HydrophobicContact CE1-CB 3.96Å; F698-F748 HydrophobicContact CE1-CD2 4.26Å; F698-F748 HydrophobicContact CE1-CG 4.3Å; F698-F748 AromaticContact CE2-CD2 3.86Å; F698-F748 HydrophobicContact CE2-CD2 3.86Å; F698-F748 HydrophobicContact CE2-CE2 4.42Å; F698-F748 HydrophobicContact CZ-CB 4.41Å; F698-F748 AromaticContact CZ-CD2 3.85Å; F698-F748 HydrophobicContact CZ-CD2 3.85Å; F698-F748 HydrophobicContact CZ-CG 4.26Å; F698-F748 PolarHBondContact N-O 3.25Å; F698-F748 VanDerWaalsContact N-O 3.09Å; F698-F748 PolarHBondContact O-N 3.47Å; F700-F748 HydrophobicContact CB-CE2 4.07Å; F707-F748 HydrophobicContact CE2-CE1 4.45Å; F707-F748 HydrophobicContact CE2-CE2 4.09Å; F707-F748 AromaticContact CE2-CZ 3.51Å; F707-F748 HydrophobicContact CE2-CZ 3.51Å; F707-F748 HydrophobicContact CZ-CE1 4.48Å; F707-F748 AromaticContact CZ-CZ 3.84Å; F707-F748 HydrophobicContact CZ-CZ 3.84Å; V746-F748 HydrophobicContact CB-CE2 3.86Å; V746-F748 HydrophobicContact CB-CZ 3.88Å; V746-F748 HydrophobicContact CG2-CE2 3.58Å; V746-F748 HydrophobicContact CG2-CZ 3.7Å; F748-Q751 VanDerWaalsContact CD1-OE1 3.27Å; F748-V756 HydrophobicContact CD1-CG2 4Å; F748-V756 HydrophobicContact CE1-CB 4.36Å; F748-V756 HydrophobicContact CE1-CG1 3.89Å; F748-V756 HydrophobicContact CE1-CG2 3.82Å; F748-V756 HydrophobicContact CZ-CG1 4.36Å; F748-L759 HydrophobicContact CD1-CD1 4.46Å; F748-L759 HydrophobicContact CE1-CD1 3.33Å; F748-L759 HydrophobicContact CZ-CD1 3.61Å
749E78.3Confident77.6Confident68 Ų6852.6 Ų52.632%0.31828%0.275SS..SBendtrans-149.4107.5170.1-178.6159.4-158.100107.9K697 Q751K697-E749 HydrophobicContact CD-CG 4.19Å; K697-E749 HydrophobicContact CG-CB 4.4Å; K697-E749 HydrophobicContact CG-CG 4.37Å; K697-E749 IonicContact NZ-OE1 2.89Å; K697-E749 PolarHBondContact NZ-OE1 2.8Å; K697-E749 IonicContact NZ-OE2 3.62Å; K697-E749 PolarHBondContact NZ-OE2 2.92Å; K697-E749 VanDerWaalsContact NZ-OE2 3.1Å; E749-Q751 VanDerWaalsContact C-N 3.26Å; E749-Q751 PolarHBondContact O-N 2.9Å; E749-Q751 VanDerWaalsContact O-N 3.11Å
750D82.5Confident78.6Confident95 Ų9551.4 Ų51.451%0.50826%0.263SS..SBendtrans51.335.6174.5-58.4-28000115.6L674 T696L674-D750 WeakPolarHBondContact CD2-O 3.34Å; T696-D750 VanDerWaalsContact CB-OD1 3.24Å; T696-D750 WeakPolarHBondContact CB-OD1 3.47Å; T696-D750 PolarHBondContact O-N 3.06Å; T696-D750 PolarHBondContact OG1-OD1 3.17Å
751Q82.5Confident79.2Confident45 Ų4550.7 Ų50.721%0.2126%0.258CS..  trans-84.6144.3179.2-68.1-175.7-8.500112.8F675 F748 E749 V756F675-Q751 PolarHBondContact N-O 2.77Å; F748-Q751 VanDerWaalsContact CD1-OE1 3.27Å; E749-Q751 VanDerWaalsContact C-N 3.26Å; E749-Q751 PolarHBondContact O-N 2.9Å; E749-Q751 VanDerWaalsContact O-N 3.11Å; Q751-V756 HydrophobicContact CB-CG2 3.95Å
752Y88.6Confident79.3Confident103 Ų10348.7 Ų48.740%0.40425%0.25SC..BIsolated β-bridgetrans-78.3151.8172.2-66.7-71.4000111.6T673 L674 T754 D755 V756T673-Y752 CarbonylContact O-C 3.59Å; T673-Y752 WeakPolarHBondContact O-CA 3.49Å; L674-Y752 HydrophobicContact CD2-CD1 3.94Å; L674-Y752 HydrophobicContact CD2-CE1 3.86Å; L674-Y752 HydrophobicContact CD2-CG 4.47Å; L674-Y752 HydrophobicContact CG-CD1 4.38Å; L674-Y752 HydrophobicContact CG-CE1 4.2Å; Y752-T754 PolarHBondContact O-N 2.86Å; Y752-T754 VanDerWaalsContact O-N 3.15Å; Y752-D755 PolarHBondContact O-N 2.82Å; Y752-V756 WeakPolarHBondContact O-CG2 3.23Å; Y752-V756 PolarHBondContact O-N 3.34Å
753L87.1Confident79.5Confident0 Ų046.2 Ų46.20%024%0.241CC..Hα-helixtrans-56.7-33.3-176.4-78.1169.9000113L670 T673 F675 I711 M715 L720 V756 L757L670-L753 HydrophobicContact CB-CB 4.31Å; L670-L753 HydrophobicContact CD2-CB 4.16Å; L670-L753 HydrophobicContact CD2-CD1 3.93Å; L670-L753 PolarHBondContact O-N 2.88Å; T673-L753 HydrophobicContact CG2-CD1 3.79Å; T673-L753 PolarHBondContact O-N 2.84Å; F675-L753 HydrophobicContact CB-CD2 4.15Å; F675-L753 HydrophobicContact CD2-CD2 3.81Å; F675-L753 HydrophobicContact CG-CD2 4.37Å; I711-L753 HydrophobicContact CG2-CD2 4.49Å; M715-L753 HydrophobicContact CE-CD1 4.44Å; M715-L753 HydrophobicContact CE-CD2 4.41Å; M715-L753 HydrophobicContact CG-CD1 3.9Å; M715-L753 HydrophobicContact CG-CD2 4.27Å; L720-L753 HydrophobicContact CD1-CD1 3.76Å; L753-V756 PolarHBondContact O-N 2.85Å; L753-L757 WeakPolarHBondContact O-CG 3.39Å; L753-L757 PolarHBondContact O-N 3.31Å
754T83.5Confident79.9Confident20 Ų2042 Ų4212%0.12322%0.215CC..Hα-helixtrans-63.6-43176-620000112.8L670 D671 Y752 V756 L757 Q758L670-T754 WeakPolarHBondContact CB-OG1 3.39Å; L670-T754 PolarHBondContact O-N 2.97Å; L670-T754 PolarHBondContact O-OG1 3.17Å; D671-T754 PolarHBondContact N-OG1 2.91Å; D671-T754 WeakPolarHBondContact OD1-CB 3.17Å; D671-T754 VanDerWaalsContact OD1-CG2 3.26Å; D671-T754 WeakPolarHBondContact OD1-CG2 3.37Å; D671-T754 PolarHBondContact OD1-OG1 3.4Å; Y752-T754 PolarHBondContact O-N 2.86Å; Y752-T754 VanDerWaalsContact O-N 3.15Å; T754-V756 VanDerWaalsContact C-N 3.31Å; T754-V756 PolarHBondContact O-N 3.21Å; T754-L757 PolarHBondContact O-N 3.49Å; T754-Q758 PolarHBondContact O-N 3.04Å
755D81.5Confident80.1Confident75 Ų7547.7 Ų47.740%0.40124%0.242SC..Hα-helixtrans-67.1-36.5178.2-60.3-39.1000111.1Y752 L757 Q758Y752-D755 PolarHBondContact O-N 2.82Å; D755-L757 PolarHBondContact O-N 2.81Å; D755-Q758 WeakPolarHBondContact O-CB 3.38Å; D755-Q758 PolarHBondContact O-N 3.19Å
756V86Confident80.5Confident0 Ų041.3 Ų41.30%021%0.213CC..Hα-helixtrans-64.9-38.2176.2177.40000111.6F675 F707 I711 F748 Q751 Y752 L753 T754 Q758 L759F675-V756 HydrophobicContact CB-CG2 3.73Å; F675-V756 HydrophobicContact CD1-CB 4.41Å; F675-V756 HydrophobicContact CD1-CG1 3.85Å; F675-V756 HydrophobicContact CD1-CG2 3.7Å; F675-V756 HydrophobicContact CD2-CG1 4.44Å; F675-V756 HydrophobicContact CE1-CG1 3.88Å; F675-V756 HydrophobicContact CE1-CG2 4.49Å; F675-V756 HydrophobicContact CG-CB 4.48Å; F675-V756 HydrophobicContact CG-CG1 4.12Å; F675-V756 HydrophobicContact CG-CG2 3.86Å; F675-V756 HydrophobicContact CZ-CG1 4.25Å; F707-V756 HydrophobicContact CE2-CG1 4.19Å; F707-V756 HydrophobicContact CZ-CG1 3.64Å; I711-V756 HydrophobicContact CD1-CG1 4.16Å; I711-V756 HydrophobicContact CG1-CG1 4.07Å; F748-V756 HydrophobicContact CD1-CG2 4Å; F748-V756 HydrophobicContact CE1-CB 4.36Å; F748-V756 HydrophobicContact CE1-CG1 3.89Å; F748-V756 HydrophobicContact CE1-CG2 3.82Å; F748-V756 HydrophobicContact CZ-CG1 4.36Å; Q751-V756 HydrophobicContact CB-CG2 3.95Å; Y752-V756 WeakPolarHBondContact O-CG2 3.23Å; Y752-V756 PolarHBondContact O-N 3.34Å; L753-V756 PolarHBondContact O-N 2.85Å; T754-V756 VanDerWaalsContact C-N 3.31Å; T754-V756 PolarHBondContact O-N 3.21Å; V756-Q758 VanDerWaalsContact C-N 3.3Å; V756-Q758 PolarHBondContact O-N 3.06Å; V756-L759 VanDerWaalsContact O-CB 3.3Å; V756-L759 WeakPolarHBondContact O-CB 3.2Å; V756-L759 PolarHBondContact O-N 2.66Å
757L86.9Confident80.6Confident3 Ų342.2 Ų42.22%0.01622%0.217CC..Hα-helixtrans-63.8-34.8175.2-72.9171.3000112.2L670 I711 M715 V732 L753 T754 D755 L759 I760 Y768 W770L670-L757 HydrophobicContact CD1-CD1 4.28Å; I711-L757 HydrophobicContact CD1-CD2 4.28Å; I711-L757 HydrophobicContact CG2-CD2 4.35Å; M715-L757 HydrophobicContact CE-CD1 4.38Å; V732-L757 HydrophobicContact CG2-CD2 3.57Å; L753-L757 WeakPolarHBondContact O-CG 3.39Å; L753-L757 PolarHBondContact O-N 3.31Å; T754-L757 PolarHBondContact O-N 3.49Å; D755-L757 PolarHBondContact O-N 2.81Å; L757-L759 PolarHBondContact O-N 3.08Å; L757-L759 VanDerWaalsContact O-N 3.16Å; L757-I760 HydrophobicContact CD2-CD1 3.89Å; L757-I760 VanDerWaalsContact O-CB 3.27Å; L757-I760 WeakPolarHBondContact O-CB 3.39Å; L757-I760 WeakPolarHBondContact O-CD1 3.38Å; L757-I760 WeakPolarHBondContact O-CG1 3.39Å; L757-I760 PolarHBondContact O-N 3.29Å; L757-Y768 WeakPolarHBondContact O-CE1 3.37Å; L757-W770 HydrophobicContact CD1-CH2 4.06Å; L757-W770 HydrophobicContact CD1-CZ2 3.63Å
758Q83Confident81.1Confident45 Ų4540.1 Ų40.121%0.2120%0.201CC..Hα-helixtrans-63.9-19.2176.4-66.2-179.516.100113.2T754 D755 V756 I760 N761 T762T754-Q758 PolarHBondContact O-N 3.04Å; D755-Q758 WeakPolarHBondContact O-CB 3.38Å; D755-Q758 PolarHBondContact O-N 3.19Å; V756-Q758 VanDerWaalsContact C-N 3.3Å; V756-Q758 PolarHBondContact O-N 3.06Å; Q758-I760 PolarHBondContact O-N 2.86Å; Q758-N761 PolarHBondContact O-N 2.86Å; Q758-T762 PolarHBondContact O-N 2.87Å; Q758-T762 PolarHBondContact O-OG1 2.85Å
759L83.8Confident81.2Confident20 Ų2041.2 Ų41.211%0.10521%0.205CC..Hα-helixtrans-66.5-21.7173.6-59.2176.8000113F707 V746 F748 V756 L757 N761 T762 T763 F764F707-L759 HydrophobicContact CE1-CB 4.23Å; F707-L759 HydrophobicContact CZ-CB 4.27Å; F707-L759 HydrophobicContact CZ-CD1 4.23Å; V746-L759 HydrophobicContact CG1-CD1 4.35Å; F748-L759 HydrophobicContact CD1-CD1 4.46Å; F748-L759 HydrophobicContact CE1-CD1 3.33Å; F748-L759 HydrophobicContact CZ-CD1 3.61Å; V756-L759 VanDerWaalsContact O-CB 3.3Å; V756-L759 WeakPolarHBondContact O-CB 3.2Å; V756-L759 PolarHBondContact O-N 2.66Å; L757-L759 PolarHBondContact O-N 3.08Å; L757-L759 VanDerWaalsContact O-N 3.16Å; L759-N761 VanDerWaalsContact C-N 3.28Å; L759-N761 PolarHBondContact O-N 2.82Å; L759-T762 WeakPolarHBondContact CA-OG1 3.35Å; L759-T763 WeakPolarHBondContact O-CA 3.23Å; L759-T763 WeakPolarHBondContact O-CB 3.15Å; L759-T763 PolarHBondContact O-N 3.17Å; L759-F764 PolarHBondContact O-N 3.5Å; L759-F764 VanDerWaalsContact O-N 3.14Å
760I84.7Confident81.3Confident0 Ų039.7 Ų39.70%020%0.196CC..Hα-helixtrans-59.4-44.6172.6-62.2164.7000109.6I704 F707 V732 L757 Q758 F764 E765 L766 Y768 V777I704-I760 HydrophobicContact CD1-CG1 4.21Å; I704-I760 HydrophobicContact CD1-CG2 4.13Å; F707-I760 HydrophobicContact CD1-CG1 4.43Å; F707-I760 HydrophobicContact CE1-CG1 4.24Å; V732-I760 HydrophobicContact CG1-CD1 4.44Å; L757-I760 HydrophobicContact CD2-CD1 3.89Å; L757-I760 VanDerWaalsContact O-CB 3.27Å; L757-I760 WeakPolarHBondContact O-CB 3.39Å; L757-I760 WeakPolarHBondContact O-CD1 3.38Å; L757-I760 WeakPolarHBondContact O-CG1 3.39Å; L757-I760 PolarHBondContact O-N 3.29Å; Q758-I760 PolarHBondContact O-N 2.86Å; I760-F764 CarbonylContact O-C 3.53Å; I760-F764 VanDerWaalsContact O-CB 3.32Å; I760-F764 WeakPolarHBondContact O-CB 3.13Å; I760-F764 PolarHBondContact O-N 3.17Å; I760-E765 PolarHBondContact O-N 2.69Å; I760-L766 CarbonylContact C-O 3.53Å; I760-L766 VanDerWaalsContact C-O 3.29Å; I760-L766 HydrophobicContact CG2-CB 4.01Å; I760-L766 PolarHBondContact O-N 3.07Å; I760-Y768 HydrophobicContact CB-CD1 3.98Å; I760-Y768 HydrophobicContact CB-CE1 4.5Å; I760-Y768 HydrophobicContact CG2-CD1 4.1Å; I760-V777 HydrophobicContact CD1-CG2 3.87Å; I760-V777 HydrophobicContact CG1-CG2 4.5Å; I760-V777 HydrophobicContact CG2-CB 4.33Å; I760-V777 HydrophobicContact CG2-CG1 3.6Å; I760-V777 HydrophobicContact CG2-CG2 3.92Å
761N81.6Confident81Confident27 Ų2740.4 Ų40.414%0.14420%0.2CC..Hα-helixtrans-79.2-47.8176-174.4-96.1000112.4M609 Q758 L759 E765 L766 D767 Y768M609-N761 HydrophobicContact SD-CB 4.44Å; Q758-N761 PolarHBondContact O-N 2.86Å; L759-N761 VanDerWaalsContact C-N 3.28Å; L759-N761 PolarHBondContact O-N 2.82Å; N761-E765 VanDerWaalsContact O-CA 3.23Å; N761-E765 WeakPolarHBondContact O-CA 3.12Å; N761-E765 PolarHBondContact O-N 2.81Å; N761-L766 WeakPolarHBondContact CA-O 3.22Å; N761-L766 PolarHBondContact N-O 3.26Å; N761-D767 PolarHBondContact ND2-OD1 3.41Å; N761-Y768 HydrophobicContact CB-CD1 4.42Å; N761-Y768 HydrophobicContact CB-CE1 4.19Å
762T74Confident80.7Confident75 Ų7539.7 Ų39.746%0.4621%0.205SC..Hα-helixtrans-80.8-22.7-170.756.80000114.7Q758 L759Q758-T762 PolarHBondContact O-N 2.87Å; Q758-T762 PolarHBondContact O-OG1 2.85Å; L759-T762 WeakPolarHBondContact CA-OG1 3.35Å
763T74Confident80.2Confident36 Ų3636.4 Ų36.422%0.22119%0.194CC..THydrogen-bonded Turntrans-113.5-43.1-179.2-55.40000113.1K744 V746 L759K744-T763 HydrophobicContact CB-CG2 4Å; K744-T763 VanDerWaalsContact CE-O 3.23Å; K744-T763 WeakPolarHBondContact CE-O 3.43Å; K744-T763 HydrophobicContact CG-CG2 4.23Å; V746-T763 HydrophobicContact CG1-CG2 3.72Å; L759-T763 WeakPolarHBondContact O-CA 3.23Å; L759-T763 WeakPolarHBondContact O-CB 3.15Å; L759-T763 PolarHBondContact O-N 3.17Å
764F75.7Confident80.1Confident5 Ų537.5 Ų37.52%0.02220%0.201CC..THydrogen-bonded Turntrans-88.2-6.4177.8-66-93.5000113I704 F707 K744 L759 I760 L766I704-F764 HydrophobicContact CB-CD1 3.95Å; I704-F764 HydrophobicContact CB-CE1 4.22Å; I704-F764 HydrophobicContact CD1-CB 4.25Å; I704-F764 HydrophobicContact CD1-CD1 4.16Å; I704-F764 HydrophobicContact CD1-CD2 4.09Å; I704-F764 HydrophobicContact CD1-CE2 4.5Å; I704-F764 HydrophobicContact CD1-CG 3.91Å; F707-F764 HydrophobicContact CB-CE2 4.14Å; F707-F764 HydrophobicContact CB-CZ 3.82Å; F707-F764 HydrophobicContact CD1-CD2 4.14Å; F707-F764 AromaticContact CD1-CE2 3.41Å; F707-F764 HydrophobicContact CD1-CE2 3.41Å; F707-F764 VanDerWaalsContact CD1-CE2 3.41Å; F707-F764 HydrophobicContact CD1-CZ 4.01Å; F707-F764 HydrophobicContact CE1-CD2 4.49Å; F707-F764 AromaticContact CE1-CE2 3.9Å; F707-F764 HydrophobicContact CE1-CE2 3.9Å; F707-F764 AromaticContact CG-CE2 3.8Å; F707-F764 HydrophobicContact CG-CE2 3.8Å; F707-F764 AromaticContact CG-CZ 3.96Å; F707-F764 HydrophobicContact CG-CZ 3.96Å; K744-F764 HydrophobicContact CB-CD1 4.15Å; K744-F764 HydrophobicContact CB-CE1 3.65Å; K744-F764 HydrophobicContact CB-CE2 4.38Å; K744-F764 HydrophobicContact CB-CZ 3.78Å; K744-F764 HydrophobicContact CG-CD1 3.58Å; K744-F764 HydrophobicContact CG-CE1 3.59Å; K744-F764 HydrophobicContact CG-CG 4.16Å; K744-F764 HydrophobicContact CG-CZ 4.17Å; L759-F764 PolarHBondContact O-N 3.5Å; L759-F764 VanDerWaalsContact O-N 3.14Å; I760-F764 CarbonylContact O-C 3.53Å; I760-F764 VanDerWaalsContact O-CB 3.32Å; I760-F764 WeakPolarHBondContact O-CB 3.13Å; I760-F764 PolarHBondContact O-N 3.17Å; F764-L766 HydrophobicContact CB-CD1 4.1Å; F764-L766 HydrophobicContact CB-CG 4.27Å; F764-L766 WeakPolarHBondContact O-CG 3.21Å; F764-L766 PolarHBondContact O-N 2.96Å
765E71.9Confident80.3Confident160 Ų16036.5 Ų36.575%0.74820%0.195SC*.  trans56.930.1-177.8-58.2179.8-17500112.6I760 N761I760-E765 PolarHBondContact O-N 2.69Å; N761-E765 VanDerWaalsContact O-CA 3.23Å; N761-E765 WeakPolarHBondContact O-CA 3.12Å; N761-E765 PolarHBondContact O-N 2.81Å
766L78Confident80.5Confident17 Ų1734.4 Ų34.49%0.08918%0.182CC..  trans-111.3129.2-180-67171.3000110.3I704 Y738 T740 I760 N761 F764 V777I704-L766 HydrophobicContact CB-CD1 4.08Å; I704-L766 HydrophobicContact CD1-CD1 4.21Å; I704-L766 HydrophobicContact CG1-CD1 3.74Å; I704-L766 HydrophobicContact CG2-CD1 4.22Å; Y738-L766 HydrophobicContact CD1-CD2 4.1Å; Y738-L766 HydrophobicContact CE1-CB 4.24Å; Y738-L766 HydrophobicContact CE1-CD2 3.87Å; T740-L766 HydrophobicContact CG2-CD1 4.46Å; T740-L766 HydrophobicContact CG2-CD2 4.3Å; I760-L766 CarbonylContact C-O 3.53Å; I760-L766 VanDerWaalsContact C-O 3.29Å; I760-L766 HydrophobicContact CG2-CB 4.01Å; I760-L766 PolarHBondContact O-N 3.07Å; N761-L766 WeakPolarHBondContact CA-O 3.22Å; N761-L766 PolarHBondContact N-O 3.26Å; F764-L766 HydrophobicContact CB-CD1 4.1Å; F764-L766 HydrophobicContact CB-CG 4.27Å; F764-L766 WeakPolarHBondContact O-CG 3.21Å; F764-L766 PolarHBondContact O-N 2.96Å; L766-V777 HydrophobicContact CB-CG1 3.94Å; L766-V777 HydrophobicContact CD1-CG1 3.96Å
767D76.2Confident80.4Confident33 Ų3334.4 Ų34.418%0.17618%0.182CC..  trans-63.2151.3167.7-64.6-24.1000110.5N761 G778N761-D767 PolarHBondContact ND2-OD1 3.41Å; D767-G778 CarbonylContact C-O 3.55Å; D767-G778 VanDerWaalsContact C-O 3.26Å; D767-G778 PolarHBondContact O-N 3.23Å
768Y83.6Confident80Confident10 Ų1034.3 Ų34.34%0.03918%0.182CC..EExtended strand (participates in β ladder)trans-136.8157.6166.665.7-87.8000110.2M609 L757 I760 N761 C775 H776M609-Y768 HydrophobicContact CB-CE1 4.17Å; M609-Y768 HydrophobicContact CB-CE2 4Å; M609-Y768 HydrophobicContact CG-CD1 4.27Å; M609-Y768 HydrophobicContact CG-CD2 4.25Å; M609-Y768 HydrophobicContact CG-CE1 4.12Å; M609-Y768 HydrophobicContact CG-CE2 4.07Å; M609-Y768 HydrophobicContact CG-CG 4.34Å; M609-Y768 WeakPolarHBondContact CG-O 3.43Å; M609-Y768 PolarHBondContact O-OH 3.1Å; M609-Y768 HydrophobicContact SD-CD1 4.14Å; M609-Y768 HydrophobicContact SD-CE1 4.17Å; L757-Y768 WeakPolarHBondContact O-CE1 3.37Å; I760-Y768 HydrophobicContact CB-CD1 3.98Å; I760-Y768 HydrophobicContact CB-CE1 4.5Å; I760-Y768 HydrophobicContact CG2-CD1 4.1Å; N761-Y768 HydrophobicContact CB-CD1 4.42Å; N761-Y768 HydrophobicContact CB-CE1 4.19Å; Y768-C775 VanDerWaalsContact CD2-SG 3.59Å; Y768-H776 CarbonylContact C-O 3.56Å; Y768-H776 WeakPolarHBondContact CA-O 3.47Å; Y768-H776 VanDerWaalsContact CB-O 3.27Å; Y768-H776 WeakPolarHBondContact CB-O 3.43Å
769Y81.7Confident79.3Confident29 Ų2937 Ų3711%0.11419%0.193CC..EExtended strand (participates in β ladder)trans-143.2162.9176.169.5-85.7000110.3D735 D771 H776 V780D735-Y769 WeakPolarHBondContact OD2-CE1 3.21Å; D735-Y769 PolarHBondContact OD2-OH 2.82Å; Y769-D771 HydrophobicContact CE2-CB 4.3Å; Y769-H776 HydrophobicContact CD1-CB 3.88Å; Y769-H776 HydrophobicContact CD2-CB 4.26Å; Y769-H776 HydrophobicContact CE1-CB 3.39Å; Y769-H776 HydrophobicContact CE2-CB 3.8Å; Y769-H776 AromaticContact CE2-CG 3.92Å; Y769-H776 HydrophobicContact CG-CB 4.29Å; Y769-H776 AromaticContact CZ-CG 3.63Å; Y769-H776 PolarHBondContact N-O 3.11Å; Y769-H776 PolarHBondContact O-N 2.96Å; Y769-V780 HydrophobicContact CD1-CB 3.95Å; Y769-V780 HydrophobicContact CD1-CG2 3.97Å; Y769-V780 HydrophobicContact CD2-CB 3.97Å; Y769-V780 HydrophobicContact CD2-CG2 3.94Å; Y769-V780 HydrophobicContact CE1-CB 3.97Å; Y769-V780 HydrophobicContact CE1-CG2 3.46Å; Y769-V780 VanDerWaalsContact CE1-CG2 3.46Å; Y769-V780 HydrophobicContact CE2-CB 4.02Å; Y769-V780 HydrophobicContact CE2-CG2 3.45Å; Y769-V780 VanDerWaalsContact CE2-CG2 3.45Å; Y769-V780 HydrophobicContact CG-CB 3.94Å; Y769-V780 HydrophobicContact CG-CG2 4.19Å; Y769-V780 WeakPolarHBondContact OH-CG2 3.39Å
770W81.4Confident78.3Confident36 Ų3638.1 Ų38.114%0.13620%0.201CC..EExtended strand (participates in β ladder)trans-104.5132178.9-71.894.7000110.5L670 Y730 L757 C775L670-W770 HydrophobicContact CD1-CH2 3.42Å; L670-W770 VanDerWaalsContact CD1-CH2 3.42Å; L670-W770 HydrophobicContact CD1-CZ2 3.86Å; L670-W770 HydrophobicContact CD1-CZ3 4.43Å; Y730-W770 HydrophobicContact CD1-CZ3 4.19Å; L757-W770 HydrophobicContact CD1-CH2 4.06Å; L757-W770 HydrophobicContact CD1-CZ2 3.63Å; W770-C775 HydrophobicContact CD2-CB 4.04Å; W770-C775 HydrophobicContact CE3-CB 3.81Å; W770-C775 HydrophobicContact CH2-CB 3.65Å; W770-C775 HydrophobicContact CZ2-CB 3.9Å; W770-C775 HydrophobicContact CZ3-CB 3.61Å
771D76.1Confident77.2Confident110 Ų11040.2 Ų40.259%0.58821%0.211SC*.EExtended strand (participates in β ladder)trans-121.297.6165.9-172.912000108.3Y769 N773 V774Y769-D771 HydrophobicContact CE2-CB 4.3Å; D771-N773 PolarHBondContact O-N 3.03Å; D771-V774 PolarHBondContact N-O 2.84Å; D771-V774 PolarHBondContact O-N 3.1Å
772G75.9Confident76.8Confident30 Ų3041.8 Ų41.831%0.30922%0.217SC..THydrogen-bonded Turntrans56.1-118.5-169.800000112.5V774G772-V774 VanDerWaalsContact C-N 3.33Å
773N77.9Confident76.7Confident34 Ų3442.1 Ų42.118%0.18222%0.216CC..THydrogen-bonded Turntrans-87.60.3179.9-59.7-39.4000113.7Y727 G729 Y730 Y731 D771Y727-N773 WeakPolarHBondContact CE2-ND2 3.26Å; Y727-N773 PolarHBondContact OH-ND2 2.8Å; G729-N773 WeakPolarHBondContact O-CB 3.46Å; Y730-N773 WeakPolarHBondContact CA-O 3.39Å; Y730-N773 HydrophobicContact CD1-CB 3.95Å; Y730-N773 HydrophobicContact CE1-CB 3.94Å; Y730-N773 VanDerWaalsContact CE1-OD1 3.29Å; Y730-N773 WeakPolarHBondContact CE1-OD1 3.32Å; Y730-N773 PolarHBondContact OH-OD1 2.93Å; Y731-N773 PolarHBondContact N-O 3.29Å; D771-N773 PolarHBondContact O-N 3.03Å
774V85.2Confident76.8Confident22 Ų2241.2 Ų41.213%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-104124.5-176.6-165.70000109.7Y731 V733 D771 G772 H776Y731-V774 HydrophobicContact CD1-CG2 4.38Å; Y731-V774 HydrophobicContact CD2-CG1 4.42Å; Y731-V774 HydrophobicContact CE1-CB 4.43Å; Y731-V774 HydrophobicContact CE1-CG1 4.3Å; Y731-V774 HydrophobicContact CE1-CG2 3.55Å; Y731-V774 HydrophobicContact CE2-CG1 3.99Å; Y731-V774 WeakPolarHBondContact O-CA 3.13Å; V733-V774 HydrophobicContact CB-CG1 4.47Å; V733-V774 HydrophobicContact CG1-CG1 4.12Å; V733-V774 HydrophobicContact CG2-CG1 3.61Å; D771-V774 PolarHBondContact N-O 2.84Å; D771-V774 PolarHBondContact O-N 3.1Å; G772-V774 VanDerWaalsContact C-N 3.33Å; V774-H776 WeakPolarHBondContact CG1-NE2 3.48Å
775C86.7Confident76.6Confident0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-90.7117.7169.3-176.90000108.8Y731 V732 V733 Y768 W770Y731-C775 PolarHBondContact O-N 3.13Å; V732-C775 CarbonylContact C-O 3.36Å; V732-C775 VanDerWaalsContact CA-O 3.25Å; V732-C775 WeakPolarHBondContact CA-O 3.49Å; V732-C775 HydrophobicContact CB-CB 4.42Å; V732-C775 HydrophobicContact CG1-CB 4.28Å; V732-C775 HydrophobicContact CG2-CB 4.09Å; V733-C775 PolarHBondContact N-O 3.45Å; Y768-C775 VanDerWaalsContact CD2-SG 3.59Å; W770-C775 HydrophobicContact CD2-CB 4.04Å; W770-C775 HydrophobicContact CE3-CB 3.81Å; W770-C775 HydrophobicContact CH2-CB 3.65Å; W770-C775 HydrophobicContact CZ2-CB 3.9Å; W770-C775 HydrophobicContact CZ3-CB 3.61Å
776H86.2Confident76.5Confident30 Ų3041.3 Ų41.314%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-99.5118179.2-72.7-103.3000109.7V733 D735 Y768 Y769 V774 G778V733-H776 HydrophobicContact CG2-CB 4.43Å; V733-H776 WeakPolarHBondContact CG2-ND1 3.48Å; V733-H776 CarbonylContact O-C 3.56Å; V733-H776 WeakPolarHBondContact O-CA 3.07Å; D735-H776 IonicContact OD1-CE1 2.83Å; D735-H776 IonicContact OD1-CG 2.8Å; D735-H776 IonicContact OD1-ND1 2.78Å; D735-H776 PolarHBondContact OD1-ND1 3.37Å; Y768-H776 CarbonylContact C-O 3.56Å; Y768-H776 WeakPolarHBondContact CA-O 3.47Å; Y768-H776 VanDerWaalsContact CB-O 3.27Å; Y768-H776 WeakPolarHBondContact CB-O 3.43Å; Y769-H776 HydrophobicContact CD1-CB 3.88Å; Y769-H776 HydrophobicContact CD2-CB 4.26Å; Y769-H776 HydrophobicContact CE1-CB 3.39Å; Y769-H776 HydrophobicContact CE2-CB 3.8Å; Y769-H776 AromaticContact CE2-CG 3.92Å; Y769-H776 HydrophobicContact CG-CB 4.29Å; Y769-H776 AromaticContact CZ-CG 3.63Å; Y769-H776 PolarHBondContact N-O 3.11Å; Y769-H776 PolarHBondContact O-N 2.96Å; V774-H776 WeakPolarHBondContact CG1-NE2 3.48Å; H776-G778 PolarHBondContact O-N 2.78Å
777V83.9Confident76.2Confident0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-75.5101.2164.7-174.10000107I704 V708 V732 V733 V734 D735 Y738 I760 L766I704-V777 HydrophobicContact CD1-CG1 4.27Å; I704-V777 HydrophobicContact CG1-CG1 4.07Å; V708-V777 HydrophobicContact CG2-CG2 3.96Å; V732-V777 HydrophobicContact CG1-CG2 3.85Å; V733-V777 PolarHBondContact O-N 3.14Å; V734-V777 HydrophobicContact CB-CB 4.47Å; V734-V777 HydrophobicContact CG1-CB 4.35Å; V734-V777 HydrophobicContact CG2-CB 4.22Å; V734-V777 HydrophobicContact CG2-CG2 4.36Å; D735-V777 PolarHBondContact N-O 2.98Å; Y738-V777 HydrophobicContact CD1-CG1 4.28Å; Y738-V777 WeakPolarHBondContact CD1-O 3.45Å; I760-V777 HydrophobicContact CD1-CG2 3.87Å; I760-V777 HydrophobicContact CG1-CG2 4.5Å; I760-V777 HydrophobicContact CG2-CB 4.33Å; I760-V777 HydrophobicContact CG2-CG1 3.6Å; I760-V777 HydrophobicContact CG2-CG2 3.92Å; L766-V777 HydrophobicContact CB-CG1 3.94Å; L766-V777 HydrophobicContact CD1-CG1 3.96Å
778G79.5Confident75.8Confident1 Ų146 Ų461%0.0125%0.248CC..SBendtrans176.2169.7-155.600000111.2D735 Y738 D767 H776D735-G778 WeakPolarHBondContact OD2-CA 3.21Å; Y738-G778 VanDerWaalsContact CD1-N 3.28Å; D767-G778 CarbonylContact C-O 3.55Å; D767-G778 VanDerWaalsContact C-O 3.26Å; D767-G778 PolarHBondContact O-N 3.23Å; H776-G778 PolarHBondContact O-N 2.78Å
779K67.1Low75.5Confident101 Ų10146 Ų4644%0.43925%0.248SC..  trans-124.799.4174.9-171.8173.6-177.4174.90110.7Y738 Q781Y738-K779 HydrophobicContact CE2-CB 3.86Å; K779-Q781 HydrophobicContact CG-CB 4.25Å
780V63.7Low74.9Confident44 Ų4448.8 Ų48.827%0.26726%0.261SS..  trans-91.2111.8158.4167.90000107.8R608 Y769 N1387R608-V780 PolarHBondContact NH2-O 3.25Å; R608-V780 VanDerWaalsContact NH2-O 3.14Å; Y769-V780 HydrophobicContact CD1-CB 3.95Å; Y769-V780 HydrophobicContact CD1-CG2 3.97Å; Y769-V780 HydrophobicContact CD2-CB 3.97Å; Y769-V780 HydrophobicContact CD2-CG2 3.94Å; Y769-V780 HydrophobicContact CE1-CB 3.97Å; Y769-V780 HydrophobicContact CE1-CG2 3.46Å; Y769-V780 VanDerWaalsContact CE1-CG2 3.46Å; Y769-V780 HydrophobicContact CE2-CB 4.02Å; Y769-V780 HydrophobicContact CE2-CG2 3.45Å; Y769-V780 VanDerWaalsContact CE2-CG2 3.45Å; Y769-V780 HydrophobicContact CG-CB 3.94Å; Y769-V780 HydrophobicContact CG-CG2 4.19Å; Y769-V780 WeakPolarHBondContact OH-CG2 3.39Å; V780-N1387 HydrophobicContact CG1-CB 4.47Å
781Q61.3Low74Confident44 Ų4451.9 Ų51.921%0.20627%0.274CS..  trans-127.8108.7173.9178.8156.141.800108.9K779 D783 N1387 K1389K779-Q781 HydrophobicContact CG-CB 4.25Å; Q781-D783 PolarHBondContact O-N 3Å; Q781-N1387 WeakPolarHBondContact CA-O 3.46Å; Q781-K1389 HydrophobicContact CG-CB 4.11Å; Q781-K1389 VanDerWaalsContact NE2-CB 3.25Å
782H72.3Confident73.1Confident61 Ų6149.5 Ų49.528%0.28228%0.275SS..EExtended strand (participates in β ladder)trans-74.497168.6-57.2-61.1000108L784 K1383 N1385 N1387 A1388 K1389H782-L784 PolarHBondContact O-N 3.44Å; H782-K1383 HydrophobicContact CB-CB 4.15Å; H782-K1383 WeakPolarHBondContact CB-O 3.26Å; H782-K1383 PolarHBondContact CD2-O 2.92Å; H782-N1385 PolarHBondContact CD2-ND2 2.82Å; H782-N1385 VanDerWaalsContact CD2-ND2 3.31Å; H782-N1385 PolarHBondContact CD2-OD1 3.36Å; H782-N1385 VanDerWaalsContact CD2-OD1 3.3Å; H782-N1385 PolarHBondContact NE2-ND2 2.86Å; H782-N1387 PolarHBondContact N-O 3Å; H782-A1388 HydrophobicContact CB-CB 4.45Å; H782-A1388 WeakPolarHBondContact O-CA 3.4Å; H782-K1389 PolarHBondContact O-N 3.19Å
783D72.1Confident71.9Confident81 Ų8151.1 Ų51.143%0.43328%0.281SS..EExtended strand (participates in β ladder)trans-77.2110.6177.9-158.3-24.5000109.8Q781 T785Q781-D783 PolarHBondContact O-N 3Å; D783-T785 WeakPolarHBondContact OD1-CB 3.48Å; D783-T785 WeakPolarHBondContact OD1-CG2 3.42Å; D783-T785 PolarHBondContact OD1-N 3.12Å; D783-T785 PolarHBondContact OD1-OG1 2.86Å
784L76Confident70.6Confident18 Ų1853.5 Ų53.59%0.09430%0.301CS..  trans-111.119.5175.9-58.6168.6000110.7H782 D786 F1380 K1383 L1384 A1388 K1389 L1390H782-L784 PolarHBondContact O-N 3.44Å; L784-D786 VanDerWaalsContact C-N 3.27Å; L784-D786 PolarHBondContact O-N 2.86Å; L784-F1380 HydrophobicContact CB-CD2 4.26Å; L784-F1380 HydrophobicContact CB-CE2 3.84Å; L784-F1380 HydrophobicContact CD1-CD2 3.99Å; L784-F1380 HydrophobicContact CD1-CE2 3.73Å; L784-F1380 HydrophobicContact CD1-CZ 4.05Å; L784-F1380 HydrophobicContact CD2-CD2 3.99Å; L784-F1380 HydrophobicContact CD2-CE2 4.37Å; L784-F1380 HydrophobicContact CG-CD2 4.31Å; L784-F1380 HydrophobicContact CG-CE2 4.19Å; L784-K1383 HydrophobicContact CD1-CB 4.25Å; L784-K1383 HydrophobicContact CD2-CB 3.87Å; L784-K1383 HydrophobicContact CD2-CD 3.96Å; L784-K1383 HydrophobicContact CG-CB 4.43Å; L784-L1384 HydrophobicContact CD1-CB 4.43Å; L784-L1384 HydrophobicContact CD1-CD1 4.43Å; L784-A1388 HydrophobicContact CD1-CB 4.22Å; L784-K1389 CarbonylContact C-O 3.48Å; L784-K1389 WeakPolarHBondContact CA-O 3.46Å; L784-K1389 WeakPolarHBondContact CB-O 3.46Å; L784-K1389 PolarHBondContact N-O 3.02Å; L784-L1390 HydrophobicContact CB-CD2 3.84Å; L784-L1390 HydrophobicContact CD1-CD2 3.77Å; L784-L1390 HydrophobicContact CG-CD2 4.4Å
785T71.9Confident69.4Low18 Ų1858.8 Ų58.811%0.1133%0.328CS..THydrogen-bonded Turntrans-74.7-11.8-176.661.50000114.6D783 T787 K1389 K1408D783-T785 WeakPolarHBondContact OD1-CB 3.48Å; D783-T785 WeakPolarHBondContact OD1-CG2 3.42Å; D783-T785 PolarHBondContact OD1-N 3.12Å; D783-T785 PolarHBondContact OD1-OG1 2.86Å; T785-T787 PolarHBondContact O-N 2.76Å; T785-K1389 HydrophobicContact CG2-CB 4.24Å; T785-K1389 HydrophobicContact CG2-CD 3.81Å; T785-K1389 HydrophobicContact CG2-CG 3.87Å; T785-K1408 HydrophobicContact CG2-CD 4.47Å; T785-K1408 HydrophobicContact CG2-CG 4.26Å
786D70.8Confident68.6Low148 Ų14859.1 Ų59.179%0.79133%0.331SS*.THydrogen-bonded Turntrans-63.3-27.1179.8-70.1-24.4000113.5L784 P788L784-D786 VanDerWaalsContact C-N 3.27Å; L784-D786 PolarHBondContact O-N 2.86Å; D786-P788 WeakPolarHBondContact O-CD 3.5Å
787T70.3Confident67.9Low103 Ų10358.3 Ų58.363%0.63233%0.328SS*.SBendtrans-120.292.6-179.6-42.40000109.9T785 I789T785-T787 PolarHBondContact O-N 2.76Å; T787-I789 PolarHBondContact O-N 2.82Å
788P69.1Low67.6Low47 Ų4762.7 Ų62.731%0.30535%0.35SS..PPolyproline II helixtrans-60.5128.9-178.9-21.831.4000112.1D786 S1391 Q1393D786-P788 WeakPolarHBondContact O-CD 3.5Å; P788-S1391 CarbonylContact C-O 3.53Å; P788-S1391 WeakPolarHBondContact CA-O 3.38Å; P788-Q1393 HydrophobicContact CB-CG 4.01Å
789I76.1Confident67.4Low8 Ų864.9 Ų64.94%0.04137%0.365CS..EExtended strand (participates in β ladder)trans-89.1116.4-177.2-41.2-177.6000108.4T787 A796 L797 F1369 F1380 L1390 S1391 I1392 Q1393T787-I789 PolarHBondContact O-N 2.82Å; I789-A796 HydrophobicContact CG2-CB 3.67Å; I789-L797 HydrophobicContact CB-CD1 4.44Å; I789-L797 HydrophobicContact CG2-CD1 3.85Å; I789-L797 HydrophobicContact CG2-CD2 3.65Å; I789-L797 HydrophobicContact CG2-CG 3.58Å; I789-F1369 HydrophobicContact CD1-CE1 3.72Å; I789-F1369 HydrophobicContact CD1-CZ 3.69Å; I789-F1369 HydrophobicContact CG2-CE1 4.45Å; I789-F1380 HydrophobicContact CD1-CE1 4.44Å; I789-F1380 HydrophobicContact CD1-CE2 3.89Å; I789-F1380 HydrophobicContact CD1-CZ 3.45Å; I789-F1380 VanDerWaalsContact CD1-CZ 3.45Å; I789-L1390 HydrophobicContact CD1-CD1 4.37Å; I789-L1390 HydrophobicContact CD1-CD2 4.24Å; I789-S1391 PolarHBondContact N-O 3.26Å; I789-I1392 WeakPolarHBondContact O-CA 3.23Å; I789-Q1393 PolarHBondContact O-N 3.27Å
790K69.4Low67.8Low89 Ų8961.6 Ų61.639%0.38735%0.354SS..EExtended strand (participates in β ladder)trans-97.7133.9-175.7-71.9172.1178.4175.30111.5S793 Q1393K790-S793 WeakPolarHBondContact CB-OG 3.18Å; K790-S793 VanDerWaalsContact CD-OG 3.29Å; K790-S793 WeakPolarHBondContact CD-OG 3.35Å; K790-Q1393 WeakPolarHBondContact CA-O 3.36Å; K790-Q1393 HydrophobicContact CG-CB 3.84Å
791Y62.7Low68.3Low101 Ų10161.9 Ų61.940%0.39636%0.361SS..SBendtrans-70.9127.8166.6-176.9-110000110.2S793 V800 Q1393Y791-S793 PolarHBondContact O-N 2.95Å; Y791-V800 HydrophobicContact CD2-CB 4.35Å; Y791-V800 HydrophobicContact CD2-CG2 3.9Å; Y791-Q1393 PolarHBondContact N-O 3.08Å; Y791-Q1393 VanDerWaalsContact N-O 3.11Å
792G57.4Low68.9Low60 Ų6063.5 Ų63.562%0.61937%0.367SS*.SBendtrans82.3-10.1170.300000118.1
793S49.9Very low68.6Low63 Ų6367.3 Ų67.344%0.44139%0.385SS..SBendtrans-101.6-13.7-172.1750000117.1K790 Y791K790-S793 WeakPolarHBondContact CB-OG 3.18Å; K790-S793 VanDerWaalsContact CD-OG 3.29Å; K790-S793 WeakPolarHBondContact CD-OG 3.35Å; Y791-S793 PolarHBondContact O-N 2.95Å
794S52Low68.3Low85 Ų8567.4 Ų67.459%0.59439%0.385SS*.SBendtrans-165.145.7-175.7-44.70000113.6A796S794-A796 PolarHBondContact O-N 3.42Å
795D58.2Low67.5Low132 Ų13268.3 Ų68.371%0.70640%0.395SS*.SBendtrans54.623.4170.4-54.5-34.4000116.8S1370 F1373D795-S1370 WeakPolarHBondContact O-CB 3.49Å; D795-S1370 PolarHBondContact O-OG 3.01Å; D795-F1373 WeakPolarHBondContact O-CB 3.49Å
796A70.2Confident66.7Low8 Ų868.9 Ų68.97%0.06640%0.398CS..SBendtrans-89.4-41.4-177.700000114.1I789 S794 S1370 F1373I789-A796 HydrophobicContact CG2-CB 3.67Å; S794-A796 PolarHBondContact O-N 3.42Å; A796-S1370 WeakPolarHBondContact O-CB 3.38Å; A796-S1370 PolarHBondContact O-N 2.91Å; A796-F1373 HydrophobicContact CB-CB 4.44Å; A796-F1373 HydrophobicContact CB-CD1 4.17Å; A796-F1373 HydrophobicContact CB-CD2 3.68Å; A796-F1373 HydrophobicContact CB-CE1 4.37Å; A796-F1373 HydrophobicContact CB-CE2 3.9Å; A796-F1373 HydrophobicContact CB-CG 3.83Å; A796-F1373 HydrophobicContact CB-CZ 4.25Å
797L72.3Confident66Low13 Ų1372.1 Ų72.17%0.06840%0.401CS..EExtended strand (participates in β ladder)trans-115.6124.4-178.6-55.7-179.4000109.5I789 V800 V1367 K1368 F1369 I1392I789-L797 HydrophobicContact CB-CD1 4.44Å; I789-L797 HydrophobicContact CG2-CD1 3.85Å; I789-L797 HydrophobicContact CG2-CD2 3.65Å; I789-L797 HydrophobicContact CG2-CG 3.58Å; L797-V800 HydrophobicContact CB-CG2 4.14Å; L797-V800 HydrophobicContact CD1-CG2 3.56Å; L797-V800 HydrophobicContact CG-CG2 4.43Å; L797-V1367 HydrophobicContact CD1-CG1 4.09Å; L797-V1367 HydrophobicContact CD2-CG1 3.33Å; L797-V1367 HydrophobicContact CG-CG1 4.16Å; L797-K1368 CarbonylContact C-O 3.6Å; L797-K1368 WeakPolarHBondContact CA-O 3.39Å; L797-F1369 HydrophobicContact CD2-CD1 3.87Å; L797-F1369 HydrophobicContact CD2-CD2 4.37Å; L797-F1369 HydrophobicContact CD2-CE1 3.76Å; L797-F1369 HydrophobicContact CD2-CE2 4.24Å; L797-F1369 HydrophobicContact CD2-CG 4.2Å; L797-F1369 HydrophobicContact CD2-CZ 3.95Å; L797-I1392 HydrophobicContact CD1-CG2 4.48Å
798I77.1Confident65.6Low92 Ų9272.2 Ų72.247%0.47239%0.392SS..EExtended strand (participates in β ladder)trans-74.8-45.3173.7-65.3176.1000109.7K1368 F1369I798-K1368 HydrophobicContact CB-CB 4.26Å; I798-K1368 PolarHBondContact N-O 2.86Å; I798-F1369 VanDerWaalsContact CD1-O 3.29Å; I798-F1369 WeakPolarHBondContact CD1-O 3.49Å
799S76.3Confident65.9Low46 Ų4671.8 Ų71.832%0.32239%0.387SS..EExtended strand (participates in β ladder)trans-149.4148.8-179.8670000111.1V1367 K1368S799-V1367 WeakPolarHBondContact O-CA 3.42Å; S799-K1368 PolarHBondContact N-O 2.85Å; S799-K1368 PolarHBondContact O-N 3.49Å; S799-K1368 WeakPolarHBondContact OG-CB 3.41Å; S799-K1368 WeakPolarHBondContact OG-CG 3.42Å
800V74.3Confident65.9Low32 Ų3272.1 Ų72.119%0.19439%0.389CS..EExtended strand (participates in β ladder)trans-134114.3174.3176.20000106.5Y791 L797 Y1365 S1366 V1367 I1394Y791-V800 HydrophobicContact CD2-CB 4.35Å; Y791-V800 HydrophobicContact CD2-CG2 3.9Å; L797-V800 HydrophobicContact CB-CG2 4.14Å; L797-V800 HydrophobicContact CD1-CG2 3.56Å; L797-V800 HydrophobicContact CG-CG2 4.43Å; V800-Y1365 HydrophobicContact CG1-CD1 4.32Å; V800-S1366 CarbonylContact C-O 3.56Å; V800-S1366 WeakPolarHBondContact CA-O 3.19Å; V800-V1367 HydrophobicContact CG1-CG2 4.29Å; V800-V1367 HydrophobicContact CG2-CG1 4.27Å; V800-V1367 HydrophobicContact CG2-CG2 4.25Å; V800-I1394 HydrophobicContact CG1-CD1 4.13Å
801A75.4Confident66.6Low50 Ų5068.1 Ų68.141%0.41337%0.372SS..EExtended strand (participates in β ladder)trans-96.1129.8166.200000108.2Y1365 S1366A801-Y1365 CarbonylContact O-C 3.55Å; A801-Y1365 VanDerWaalsContact O-CA 3.24Å; A801-Y1365 WeakPolarHBondContact O-CA 3.17Å; A801-S1366 PolarHBondContact N-O 2.95Å; A801-S1366 PolarHBondContact O-N 3.44Å
802K72.7Confident67.8Low78 Ų7863.9 Ų63.934%0.33936%0.356SS..EExtended strand (participates in β ladder)trans-115.3107.1179.6177.7179.7-175.4-178.60107F1363 Y1365 I1394 D1397K802-F1363 HydrophobicContact CD-CD1 3.98Å; K802-F1363 HydrophobicContact CD-CD2 4.49Å; K802-F1363 HydrophobicContact CD-CE1 4.18Å; K802-F1363 HydrophobicContact CD-CG 4.13Å; K802-F1363 VanDerWaalsContact CE-CD1 3.4Å; K802-F1363 VanDerWaalsContact CE-CE1 3.45Å; K802-F1363 HydrophobicContact CG-CB 3.95Å; K802-F1363 HydrophobicContact CG-CD1 3.42Å; K802-F1363 VanDerWaalsContact CG-CD1 3.42Å; K802-F1363 HydrophobicContact CG-CE1 4.01Å; K802-F1363 HydrophobicContact CG-CG 3.72Å; K802-Y1365 HydrophobicContact CB-CD1 3.98Å; K802-Y1365 HydrophobicContact CB-CE1 4.08Å; K802-Y1365 HydrophobicContact CD-CE1 3.8Å; K802-Y1365 HydrophobicContact CG-CD1 3.97Å; K802-Y1365 HydrophobicContact CG-CE1 3.6Å; K802-I1394 HydrophobicContact CD-CD1 4.23Å; K802-D1397 IonicContact NZ-OD2 2.71Å; K802-D1397 PolarHBondContact NZ-OD2 3.48Å
803E67.4Low69.3Low141 Ų14161.1 Ų61.166%0.65933%0.327SS*.EExtended strand (participates in β ladder)trans-107.6138.4178.6-68.7-164.7162.600110.8A805 F1363 N1364E803-A805 PolarHBondContact O-N 2.9Å; E803-F1363 CarbonylContact O-C 3.37Å; E803-F1363 WeakPolarHBondContact O-CA 3.49Å; E803-N1364 PolarHBondContact N-O 3.23Å; E803-N1364 PolarHBondContact O-N 3.32Å
804N65.2Low71.2Confident83 Ų8358.6 Ų58.644%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-75117.5177-165-20.9000109.3N806 D1361 Q1362 F1363N804-N806 WeakPolarHBondContact OD1-CB 3.43Å; N804-N806 PolarHBondContact OD1-N 3.12Å; N804-D1361 PolarHBondContact ND2-OD1 3.14Å; N804-Q1362 PolarHBondContact OD1-O 2.88Å; N804-F1363 HydrophobicContact CB-CD1 4.47Å; N804-F1363 HydrophobicContact CB-CE1 4.32Å
805A58Low72.9Confident37 Ų3754.8 Ų54.831%0.30628%0.283SS..  trans-87.1-8.2178.900000112.9E803 Q1362E803-A805 PolarHBondContact O-N 2.9Å; A805-Q1362 HydrophobicContact CB-CB 4.42Å; A805-Q1362 PolarHBondContact N-O 2.93Å
806N56.1Low74.4Confident30 Ų3053 Ų5316%0.1627%0.267CS..  trans-80.3127.3178.7-70.9-11000111.3N804 K808 T1360 D1361 Q1362N804-N806 WeakPolarHBondContact OD1-CB 3.43Å; N804-N806 PolarHBondContact OD1-N 3.12Å; N806-K808 PolarHBondContact O-N 3.07Å; N806-T1360 PolarHBondContact ND2-O 2.93Å; N806-D1361 VanDerWaalsContact ND2-CA 3.32Å; N806-D1361 WeakPolarHBondContact ND2-CA 3.24Å; N806-Q1362 PolarHBondContact ND2-N 3.12Å; N806-Q1362 VanDerWaalsContact ND2-N 3.16Å; N806-Q1362 WeakPolarHBondContact OD1-CB 3.34Å; N806-Q1362 VanDerWaalsContact OD1-CG 3.29Å; N806-Q1362 WeakPolarHBondContact OD1-CG 3.35Å; N806-Q1362 PolarHBondContact OD1-N 3.26Å
807Y56.4Low75.3Confident216 Ų21652.7 Ų52.785%0.84727%0.265SS*.SBendtrans-68.8-26.2164.5-61.3-79000112
808K61.8Low75.9Confident106 Ų10652.6 Ų52.646%0.46127%0.265SS..  trans-164.5130.3179.1-166.4174-176.1177.90111.1N806 Q1149N806-K808 PolarHBondContact O-N 3.07Å; K808-Q1149 VanDerWaalsContact CE-O 3.22Å; K808-Q1149 WeakPolarHBondContact CE-O 3.37Å; K808-Q1149 PolarHBondContact NZ-O 3.43Å
809I74.5Confident76.3Confident38 Ų3851.6 Ų51.620%0.19527%0.266CS..  trans-68.5129.8164.3-61.2173.1000107.8N1140 H1148 N1359 D1361I809-N1140 HydrophobicContact CG2-CB 3.91Å; I809-H1148 WeakPolarHBondContact O-CB 3.3Å; I809-N1359 VanDerWaalsContact CG2-O 3.31Å; I809-N1359 WeakPolarHBondContact CG2-O 3.22Å; I809-D1361 VanDerWaalsContact CD1-OD1 3.24Å; I809-D1361 WeakPolarHBondContact CD1-OD1 3.47Å; I809-D1361 WeakPolarHBondContact CG1-OD1 3.46Å
810V76.1Confident76.6Confident14 Ų1452.7 Ų52.79%0.08527%0.268CS..  trans-102.2112.4176.3-176.70000109.2M812 I813 M1355 N1358 N1359V810-M812 WeakPolarHBondContact CG1-O 3.48Å; V810-I813 HydrophobicContact CG1-CB 4Å; V810-I813 HydrophobicContact CG1-CD1 4.4Å; V810-I813 HydrophobicContact CG1-CG1 4.37Å; V810-M1355 HydrophobicContact CG1-CG 4.25Å; V810-N1358 HydrophobicContact CB-CB 4.18Å; V810-N1358 HydrophobicContact CG2-CB 3.97Å; V810-N1358 PolarHBondContact N-O 2.55Å; V810-N1359 PolarHBondContact O-ND2 2.96Å
811D83.8Confident77.1Confident5 Ų555.5 Ų55.53%0.02728%0.282CS..SBendtrans-109.3-3.9171.969.718.7000112.8A1122 H1148D811-A1122 HydrophobicContact CB-CB 4.13Å; D811-A1122 WeakPolarHBondContact O-CB 2.86Å; D811-A1122 PolarHBondContact O-N 2.89Å; D811-H1148 PolarHBondContact N-O 3.49Å; D811-H1148 WeakPolarHBondContact OD1-CA 3.46Å; D811-H1148 PolarHBondContact OD1-N 2.83Å; D811-H1148 IonicContact OD2-CE1 3.85Å; D811-H1148 IonicContact OD2-CG 3.92Å; D811-H1148 IonicContact OD2-ND1 2.67Å; D811-H1148 PolarHBondContact OD2-ND1 2.69Å
812M89.3Confident77.5Confident13 Ų1354.5 Ų54.56%0.06427%0.27CS..EExtended strand (participates in β ladder)trans-147.3120.9178.6-173.1171.9113.400109.8V810 F1119 Y1120 Y1121 Y1142 P1147 H1148 Q1149 G1150V810-M812 WeakPolarHBondContact CG1-O 3.48Å; M812-F1119 HydrophobicContact CE-CD1 3.72Å; M812-F1119 HydrophobicContact CE-CD2 4.12Å; M812-F1119 HydrophobicContact CE-CE1 3.83Å; M812-F1119 HydrophobicContact CE-CE2 4.23Å; M812-F1119 HydrophobicContact CE-CG 3.87Å; M812-F1119 HydrophobicContact CE-CZ 4.08Å; M812-F1119 HydrophobicContact CG-CB 3.92Å; M812-F1119 HydrophobicContact CG-CD1 3.83Å; M812-F1119 HydrophobicContact CG-CG 4.09Å; M812-F1119 HydrophobicContact SD-CG 4.5Å; M812-Y1120 CarbonylContact C-O 3.55Å; M812-Y1120 VanDerWaalsContact CA-O 3.3Å; M812-Y1120 WeakPolarHBondContact CA-O 3.33Å; M812-Y1121 HydrophobicContact CB-CD1 4.43Å; M812-Y1121 HydrophobicContact CG-CD1 3.84Å; M812-Y1121 HydrophobicContact CG-CE1 3.85Å; M812-Y1121 HydrophobicContact SD-CD1 4.01Å; M812-Y1121 HydrophobicContact SD-CE1 3.58Å; M812-Y1121 VanDerWaalsContact SD-CE1 3.58Å; M812-Y1142 HydrophobicContact CB-CD2 4.37Å; M812-Y1142 HydrophobicContact SD-CE2 3.89Å; M812-P1147 HydrophobicContact CE-CB 4.37Å; M812-P1147 HydrophobicContact SD-CB 3.85Å; M812-H1148 PolarHBondContact N-O 2.92Å; M812-Q1149 HydrophobicContact CE-CB 4.46Å; M812-Q1149 HydrophobicContact CE-CG 3.38Å; M812-Q1149 CarbonylContact O-C 3.48Å; M812-Q1149 WeakPolarHBondContact O-CA 3.29Å; M812-Q1149 HydrophobicContact SD-CG 4.33Å; M812-G1150 PolarHBondContact O-N 3.11Å
813I88.6Confident77.9Confident2 Ų252.9 Ų52.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-127146.1-175.1-161163000113.2V810 F1119 Y1120 V1152 L1351 H1354 M1355V810-I813 HydrophobicContact CG1-CB 4Å; V810-I813 HydrophobicContact CG1-CD1 4.4Å; V810-I813 HydrophobicContact CG1-CG1 4.37Å; I813-F1119 CarbonylContact O-C 3.58Å; I813-F1119 VanDerWaalsContact O-CA 3.26Å; I813-F1119 WeakPolarHBondContact O-CA 3.27Å; I813-Y1120 PolarHBondContact N-O 3.2Å; I813-Y1120 PolarHBondContact O-N 3.21Å; I813-V1152 HydrophobicContact CD1-CG1 4.27Å; I813-L1351 HydrophobicContact CD1-CD2 4.3Å; I813-L1351 HydrophobicContact CG1-CD2 4.18Å; I813-L1351 HydrophobicContact CG2-CB 4.26Å; I813-H1354 HydrophobicContact CD1-CB 4.19Å; I813-M1355 HydrophobicContact CB-CB 4.1Å; I813-M1355 HydrophobicContact CB-CG 4.45Å; I813-M1355 HydrophobicContact CB-SD 4.28Å; I813-M1355 HydrophobicContact CD1-CB 4.19Å; I813-M1355 HydrophobicContact CG2-CB 3.74Å; I813-M1355 HydrophobicContact CG2-CG 4.27Å; I813-M1355 HydrophobicContact CG2-SD 3.85Å
814T90.2Very high78.5Confident10 Ų1055.4 Ų55.46%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-137.3175.5164.1-164.50000109.9R1118 F1119 G1150 T1151 V1152T814-R1118 VanDerWaalsContact CB-O 3.29Å; T814-R1118 WeakPolarHBondContact CB-O 3.39Å; T814-R1118 WeakPolarHBondContact OG1-CG 3.45Å; T814-R1118 PolarHBondContact OG1-O 2.9Å; T814-F1119 HydrophobicContact CG2-CD1 3.93Å; T814-F1119 HydrophobicContact CG2-CE1 3.4Å; T814-F1119 VanDerWaalsContact CG2-CE1 3.4Å; T814-F1119 HydrophobicContact CG2-CZ 3.92Å; T814-G1150 PolarHBondContact N-O 3.45Å; T814-G1150 VanDerWaalsContact N-O 3.08Å; T814-T1151 VanDerWaalsContact O-CA 3.27Å; T814-T1151 WeakPolarHBondContact O-CA 3.32Å; T814-V1152 PolarHBondContact O-N 3.34Å
815G87.9Confident79.4Confident4 Ų455 Ų554%0.04127%0.265CS..EExtended strand (participates in β ladder)trans170.6178178.700000111.4P1107 V1152G815-P1107 VanDerWaalsContact O-CD 3.29Å; G815-P1107 WeakPolarHBondContact O-CD 3.13Å; G815-P1107 VanDerWaalsContact O-CG 3.28Å; G815-P1107 WeakPolarHBondContact O-CG 3.24Å; G815-V1152 WeakPolarHBondContact CA-O 3.27Å
816Y89.2Confident80.6Confident96 Ų9653.3 Ų53.338%0.37625%0.251SS..EExtended strand (participates in β ladder)trans-137.7152.4178.752.3-92.4000111.3V1104 L1105 V1152 T1153 F1154Y816-V1104 HydrophobicContact CD2-CB 4.1Å; Y816-V1104 HydrophobicContact CD2-CG1 4.2Å; Y816-V1104 HydrophobicContact CD2-CG2 4.13Å; Y816-V1104 HydrophobicContact CG-CB 4.33Å; Y816-V1104 HydrophobicContact CG-CG2 3.93Å; Y816-L1105 CarbonylContact C-O 3.45Å; Y816-L1105 WeakPolarHBondContact CA-O 3.45Å; Y816-L1105 WeakPolarHBondContact CB-O 3.36Å; Y816-V1152 PolarHBondContact N-O 3.44Å; Y816-T1153 HydrophobicContact CD2-CG2 3.77Å; Y816-T1153 HydrophobicContact CE2-CG2 3.33Å; Y816-T1153 WeakPolarHBondContact CE2-OG1 3.47Å; Y816-T1153 WeakPolarHBondContact O-CA 3.43Å; Y816-T1153 PolarHBondContact OH-OG1 3.18Å; Y816-F1154 PolarHBondContact O-N 3.34Å
817G88.2Confident82Confident1 Ų152.1 Ų52.11%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-94.8-163170.800000111.8L1105 F1154G817-L1105 PolarHBondContact N-O 3.19Å; G817-F1154 VanDerWaalsContact CA-O 3.3Å; G817-F1154 WeakPolarHBondContact CA-O 3.46Å
818S86.1Confident83.4Confident10 Ų1042.3 Ų42.37%0.0721%0.207CC..  trans-62158.4-178.8-163.10000113.8D820 L822 L1105 F1154 D1155 I1157S818-D820 WeakPolarHBondContact OG-CB 3.29Å; S818-D820 PolarHBondContact OG-N 2.94Å; S818-L822 WeakPolarHBondContact O-CD1 2.94Å; S818-L1105 WeakPolarHBondContact O-CB 3.31Å; S818-L1105 PolarHBondContact O-N 2.91Å; S818-L1105 VanDerWaalsContact O-N 3.07Å; S818-F1154 PolarHBondContact N-O 2.78Å; S818-D1155 VanDerWaalsContact CB-O 3.32Å; S818-D1155 WeakPolarHBondContact CB-O 3.27Å; S818-D1155 PolarHBondContact OG-O 3.07Å; S818-I1157 PolarHBondContact N-O 3.06Å
819S84.1Confident84Confident72 Ų7241.7 Ų41.750%0.50321%0.208SC..SBendtrans-85.2-13.416758.30000113.4S1103S819-S1103 VanDerWaalsContact CA-O 3.22Å; S819-S1103 WeakPolarHBondContact CA-O 3.46Å; S819-S1103 WeakPolarHBondContact CB-O 3.33Å
820D84.2Confident84Confident69 Ų6942.1 Ų42.137%0.36921%0.211SC..THydrogen-bonded Turntrans-63.6145.3-178.8-74.4-5.2000112S818 L822 K1158 P1159S818-D820 WeakPolarHBondContact OG-CB 3.29Å; S818-D820 PolarHBondContact OG-N 2.94Å; D820-L822 PolarHBondContact O-N 2.84Å; D820-L822 VanDerWaalsContact O-N 3.1Å; D820-K1158 HydrophobicContact CB-CB 4.16Å; D820-K1158 HydrophobicContact CB-CD 3.6Å; D820-K1158 WeakPolarHBondContact OD2-CD 3.48Å; D820-K1158 IonicContact OD2-NZ 3.23Å; D820-K1158 PolarHBondContact OD2-NZ 2.84Å; D820-P1159 WeakPolarHBondContact O-CD 3.18Å
821N83.2Confident84Confident90 Ų9045.7 Ų45.748%0.48123%0.227SC..THydrogen-bonded Turntrans59.618.2171.5-56.2-25.5000115.6P1159N821-P1159 HydrophobicContact CB-CB 3.96Å; N821-P1159 HydrophobicContact CB-CG 4.27Å; N821-P1159 PolarHBondContact ND2-O 3.07Å
822L85.1Confident83.9Confident29 Ų2947.9 Ų47.915%0.15224%0.236CC..  trans-87.3137.9175.1-66.3173.6000112S818 D820 Y826 L1105 P1159 V1340S818-L822 WeakPolarHBondContact O-CD1 2.94Å; D820-L822 PolarHBondContact O-N 2.84Å; D820-L822 VanDerWaalsContact O-N 3.1Å; L822-Y826 HydrophobicContact CD1-CD1 4.24Å; L822-Y826 HydrophobicContact CD2-CD1 4.31Å; L822-Y826 HydrophobicContact CD2-CD2 3.84Å; L822-Y826 HydrophobicContact CD2-CE2 4.1Å; L822-Y826 HydrophobicContact CD2-CG 3.98Å; L822-L1105 HydrophobicContact CD1-CB 4.33Å; L822-L1105 VanDerWaalsContact CD1-N 3.33Å; L822-L1105 HydrophobicContact CD2-CB 4.31Å; L822-L1105 HydrophobicContact CD2-CD1 3.81Å; L822-P1159 HydrophobicContact CD2-CG 3.88Å; L822-V1340 HydrophobicContact CD2-CG1 4.35Å
823P80.5Confident83.4Confident44 Ų4448 Ų4829%0.28624%0.24SC..  trans-59.2146166.8-21.732.5000111.5Y825 Y826 P1335 V1340P823-Y825 PolarHBondContact O-N 3.1Å; P823-Y825 VanDerWaalsContact O-N 3.12Å; P823-Y826 WeakPolarHBondContact O-CB 3.44Å; P823-Y826 PolarHBondContact O-N 3.3Å; P823-P1335 HydrophobicContact CG-CB 4.28Å; P823-V1340 HydrophobicContact CG-CG2 4.48Å
824Y80.8Confident83.1Confident195 Ų19552.9 Ų52.977%0.76526%0.263SS*.THydrogen-bonded Turntrans-55.6-33.8-177.9-173.8-97.6000114.3
825Y82.8Confident82.7Confident73 Ų7353 Ų5329%0.28627%0.265SS..THydrogen-bonded Turntrans-96.711.1-180-55.9-77.5000113.6P823 N828 D830 E831P823-Y825 PolarHBondContact O-N 3.1Å; P823-Y825 VanDerWaalsContact O-N 3.12Å; Y825-N828 CarbonylContact C-O 3.48Å; Y825-N828 WeakPolarHBondContact O-CA 3.36Å; Y825-N828 WeakPolarHBondContact O-CB 3.48Å; Y825-N828 PolarHBondContact O-N 3.31Å; Y825-N828 PolarHBondContact O-ND2 2.85Å; Y825-D830 WeakPolarHBondContact CB-O 3.24Å; Y825-E831 HydrophobicContact CD1-CB 3.81Å; Y825-E831 HydrophobicContact CD2-CB 3.95Å; Y825-E831 HydrophobicContact CE1-CB 3.38Å; Y825-E831 HydrophobicContact CE2-CB 3.55Å; Y825-E831 HydrophobicContact CG-CB 4.07Å; Y825-E831 PolarHBondContact OH-OE2 2.71Å
826Y84.7Confident82.6Confident3 Ų354.9 Ų54.91%0.01228%0.276CS..THydrogen-bonded Turntrans-46.6133.2179172-94.9000111.4L822 P823 P1101 S1102 V1104 L1105 M1106 V1340 E1344L822-Y826 HydrophobicContact CD1-CD1 4.24Å; L822-Y826 HydrophobicContact CD2-CD1 4.31Å; L822-Y826 HydrophobicContact CD2-CD2 3.84Å; L822-Y826 HydrophobicContact CD2-CE2 4.1Å; L822-Y826 HydrophobicContact CD2-CG 3.98Å; P823-Y826 WeakPolarHBondContact O-CB 3.44Å; P823-Y826 PolarHBondContact O-N 3.3Å; Y826-P1101 CarbonylContact O-C 3.52Å; Y826-P1101 WeakPolarHBondContact O-CA 3.49Å; Y826-S1102 PolarHBondContact O-N 2.72Å; Y826-V1104 WeakPolarHBondContact CE1-O 3.32Å; Y826-L1105 HydrophobicContact CE2-CD1 4.25Å; Y826-M1106 HydrophobicContact CE1-CB 4.1Å; Y826-M1106 HydrophobicContact CE1-CG 4.05Å; Y826-M1106 WeakPolarHBondContact OH-CA 2.97Å; Y826-M1106 PolarHBondContact OH-N 3.17Å; Y826-M1106 PolarHBondContact OH-O 2.76Å; Y826-M1106 VanDerWaalsContact OH-O 3.09Å; Y826-V1340 HydrophobicContact CD2-CG1 3.76Å; Y826-V1340 HydrophobicContact CE2-CG1 3.5Å; Y826-V1340 VanDerWaalsContact CE2-CG1 3.5Å; Y826-E1344 WeakPolarHBondContact CE2-OE1 3.21Å; Y826-E1344 PolarHBondContact OH-OE1 2.87Å
827P85.2Confident82.6Confident4 Ų451.2 Ų51.23%0.02626%0.262CS..THydrogen-bonded Turncis-86.536.234.5-36.6000115.4I1099 Y1110 R1111P827-I1099 HydrophobicContact CG-CB 3.95Å; P827-I1099 HydrophobicContact CG-CD1 4.03Å; P827-I1099 HydrophobicContact CG-CG2 3.58Å; P827-Y1110 HydrophobicContact CG-CD1 4.05Å; P827-Y1110 HydrophobicContact CG-CE1 3.96Å; P827-R1111 PolarHBondContact O-NH1 2.84Å; P827-R1111 VanDerWaalsContact O-NH1 3.14Å
828N84.4Confident82.6Confident11 Ų1155.6 Ų55.66%0.05929%0.285CS..SBendtrans-68.6145.1174.7-46.6-82.4000110.4Y825 D830 I1099Y825-N828 CarbonylContact C-O 3.48Å; Y825-N828 WeakPolarHBondContact O-CA 3.36Å; Y825-N828 WeakPolarHBondContact O-CB 3.48Å; Y825-N828 PolarHBondContact O-N 3.31Å; Y825-N828 PolarHBondContact O-ND2 2.85Å; N828-D830 VanDerWaalsContact C-N 3.29Å; N828-D830 WeakPolarHBondContact CB-O 3.31Å; N828-D830 PolarHBondContact O-N 2.67Å; N828-I1099 PolarHBondContact ND2-O 3.35Å; N828-I1099 PolarHBondContact OD1-N 3.05Å
829D74.8Confident82.9Confident92 Ų9256.6 Ų56.649%0.49229%0.291SS..SBendtrans-73.2-24.6-179.4-64.7-22.9000112.2R1111 K1337D829-R1111 IonicContact OD1-NH1 2.74Å; D829-K1337 VanDerWaalsContact CG-NZ 3.3Å; D829-K1337 WeakPolarHBondContact OD1-CD 3.26Å; D829-K1337 WeakPolarHBondContact OD1-CE 3.49Å; D829-K1337 IonicContact OD1-NZ 3.49Å; D829-K1337 PolarHBondContact OD1-NZ 3.12Å; D829-K1337 VanDerWaalsContact OD1-NZ 3.08Å; D829-K1337 IonicContact OD2-NZ 2.77Å; D829-K1337 PolarHBondContact OD2-NZ 3.05Å
830D75.3Confident83Confident48 Ų4858 Ų5826%0.25729%0.289SS..SBendtrans-153.1-175.8175.365.628000111.2Y825 N828 F832 G833Y825-D830 WeakPolarHBondContact CB-O 3.24Å; N828-D830 VanDerWaalsContact C-N 3.29Å; N828-D830 WeakPolarHBondContact CB-O 3.31Å; N828-D830 PolarHBondContact O-N 2.67Å; D830-F832 HydrophobicContact CB-CD2 4.41Å; D830-F832 PolarHBondContact O-N 2.9Å; D830-F832 WeakPolarHBondContact OD1-CA 3.5Å; D830-F832 WeakPolarHBondContact OD1-CB 3.32Å; D830-F832 PolarHBondContact OD1-N 3.08Å; D830-G833 PolarHBondContact OD1-N 3.09Å; D830-G833 VanDerWaalsContact OD1-N 3.12Å
831E75.4Confident83.3Confident89 Ų8958.3 Ų58.342%0.41629%0.291SS..SBendtrans-70.8-14.5-178.370.3-171.2160.200114.9Y825 W1098Y825-E831 HydrophobicContact CD1-CB 3.81Å; Y825-E831 HydrophobicContact CD2-CB 3.95Å; Y825-E831 HydrophobicContact CE1-CB 3.38Å; Y825-E831 HydrophobicContact CE2-CB 3.55Å; Y825-E831 HydrophobicContact CG-CB 4.07Å; Y825-E831 PolarHBondContact OH-OE2 2.71Å; E831-W1098 PolarHBondContact O-NE1 2.84Å
832F82Confident83.6Confident51 Ų5155.5 Ų55.522%0.22428%0.276CS..SBendtrans-94.5-26.6-171.6-53.7-79000112.2D830 L851 L855 R1096D830-F832 HydrophobicContact CB-CD2 4.41Å; D830-F832 PolarHBondContact O-N 2.9Å; D830-F832 WeakPolarHBondContact OD1-CA 3.5Å; D830-F832 WeakPolarHBondContact OD1-CB 3.32Å; D830-F832 PolarHBondContact OD1-N 3.08Å; F832-L851 HydrophobicContact CB-CB 3.49Å; F832-L851 VanDerWaalsContact CB-CB 3.49Å; F832-L851 HydrophobicContact CB-CD1 4.28Å; F832-L851 HydrophobicContact CG-CB 4.32Å; F832-L851 WeakPolarHBondContact O-CD1 3.37Å; F832-L855 HydrophobicContact CB-CD1 4.38Å; F832-L855 HydrophobicContact CD1-CD1 3.62Å; F832-L855 HydrophobicContact CE1-CD1 4.37Å; F832-L855 HydrophobicContact CG-CD1 4.36Å; F832-R1096 VanDerWaalsContact O-CD 3.24Å; F832-R1096 WeakPolarHBondContact O-CD 3.21Å
833G78.9Confident83.6Confident14 Ų1457.2 Ų57.214%0.14429%0.29CS..  trans85-164.4179.600000113D830D830-G833 PolarHBondContact OD1-N 3.09Å; D830-G833 VanDerWaalsContact OD1-N 3.12Å
834E81.2Confident83.8Confident105 Ų10559.8 Ų59.849%0.49130%0.297SS..EExtended strand (participates in β ladder)trans-92.3134.5179.9-171.8179.1177.500110.8R1096 V1097 K1114E834-R1096 CarbonylContact O-C 3.5Å; E834-R1096 VanDerWaalsContact O-CA 3.26Å; E834-R1096 WeakPolarHBondContact O-CA 3.15Å; E834-V1097 HydrophobicContact CB-CB 4.37Å; E834-V1097 PolarHBondContact N-O 3.4Å; E834-V1097 PolarHBondContact O-N 2.94Å; E834-K1114 IonicContact OE1-NZ 2.58Å; E834-K1114 IonicContact OE2-NZ 3.87Å; E834-K1114 PolarHBondContact OE2-NZ 2.9Å
835A83.7Confident83.9Confident12 Ų1256.7 Ų56.710%0.09929%0.293CS..EExtended strand (participates in β ladder)trans-71131.7179.100000112.4F837 V849 L851 V1093A835-F837 HydrophobicContact CB-CD1 3.9Å; A835-F837 HydrophobicContact CB-CE1 4.48Å; A835-F837 WeakPolarHBondContact O-CD1 3.39Å; A835-V849 HydrophobicContact CB-CB 3.57Å; A835-V849 HydrophobicContact CB-CG1 3.58Å; A835-V849 HydrophobicContact CB-CG2 4.45Å; A835-L851 HydrophobicContact CB-CD1 4.3Å; A835-L851 HydrophobicContact CB-CD2 3.78Å; A835-L851 HydrophobicContact CB-CG 3.84Å; A835-V1093 HydrophobicContact CB-CG1 4.22Å
836V84.6Confident84.1Confident45 Ų4556.6 Ų56.627%0.27330%0.295SS..EExtended strand (participates in β ladder)trans-94.5117.2161.3-174.80000107.4V1093 T1094 D1095 V1097V836-V1093 CarbonylContact O-C 3.54Å; V836-V1093 WeakPolarHBondContact O-CA 3.16Å; V836-T1094 PolarHBondContact O-N 3.44Å; V836-T1094 PolarHBondContact O-OG1 3.17Å; V836-D1095 WeakPolarHBondContact CA-O 3.19Å; V836-D1095 HydrophobicContact CB-CB 3.87Å; V836-D1095 WeakPolarHBondContact CB-O 3.42Å; V836-D1095 HydrophobicContact CG1-CB 4.43Å; V836-D1095 HydrophobicContact CG2-CB 4.12Å; V836-D1095 PolarHBondContact N-O 2.55Å; V836-D1095 PolarHBondContact O-N 2.71Å; V836-D1095 VanDerWaalsContact O-N 3.13Å; V836-D1095 VanDerWaalsContact O-O 3.11Å; V836-V1097 HydrophobicContact CG2-CG2 3.48Å; V836-V1097 VanDerWaalsContact CG2-CG2 3.48Å
837F90.1Very high84.3Confident18 Ų1857 Ų578%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-143.1155.7-178.463.7-83.3000112.2A835 T839 K844 V847 V849 V1091 M1092 V1093A835-F837 HydrophobicContact CB-CD1 3.9Å; A835-F837 HydrophobicContact CB-CE1 4.48Å; A835-F837 WeakPolarHBondContact O-CD1 3.39Å; F837-T839 HydrophobicContact CD2-CG2 3.73Å; F837-T839 HydrophobicContact CE2-CG2 3.69Å; F837-K844 HydrophobicContact CD2-CG 4.43Å; F837-K844 HydrophobicContact CE2-CD 4.42Å; F837-K844 HydrophobicContact CE2-CG 3.72Å; F837-K844 HydrophobicContact CZ-CG 4.03Å; F837-K844 WeakPolarHBondContact O-CE 3.25Å; F837-K844 PolarHBondContact O-NZ 3.34Å; F837-V847 HydrophobicContact CD2-CG1 4.39Å; F837-V847 HydrophobicContact CE2-CB 3.91Å; F837-V847 HydrophobicContact CE2-CG1 3.74Å; F837-V847 HydrophobicContact CZ-CB 4.42Å; F837-V847 HydrophobicContact CZ-CG1 4.31Å; F837-V847 WeakPolarHBondContact CZ-O 3.48Å; F837-V849 HydrophobicContact CB-CG2 4.48Å; F837-V849 HydrophobicContact CD1-CB 4.21Å; F837-V849 HydrophobicContact CD1-CG2 3.71Å; F837-V849 HydrophobicContact CD2-CG2 4.15Å; F837-V849 HydrophobicContact CE1-CB 4.34Å; F837-V849 HydrophobicContact CE1-CG2 3.9Å; F837-V849 HydrophobicContact CE2-CG2 4.3Å; F837-V849 HydrophobicContact CG-CG2 3.85Å; F837-V849 HydrophobicContact CZ-CG2 4.2Å; F837-V1091 HydrophobicContact CB-CG1 4.3Å; F837-V1091 HydrophobicContact CD2-CG1 3.91Å; F837-V1091 HydrophobicContact CG-CG1 4.38Å; F837-M1092 CarbonylContact C-O 3.55Å; F837-M1092 WeakPolarHBondContact CA-O 3.15Å; F837-M1092 VanDerWaalsContact CB-O 3.29Å; F837-M1092 WeakPolarHBondContact CB-O 3.42Å; F837-V1093 HydrophobicContact CB-CB 4.35Å; F837-V1093 HydrophobicContact CB-CG2 4.15Å
838N88.5Confident84.2Confident93 Ų9359.7 Ų59.750%0.49732%0.316SS..EExtended strand (participates in β ladder)trans-109.3148.4171-67.8-30.7000109.4V1091 M1092N838-V1091 WeakPolarHBondContact O-CA 3.45Å; N838-M1092 PolarHBondContact N-O 2.79Å; N838-M1092 PolarHBondContact O-N 3.45Å
839T90.5Very high84.3Confident32 Ų3260.2 Ų60.220%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-121.7138.3176.561.80000110.1F837 I842 K844 V847 R1090 V1091F837-T839 HydrophobicContact CD2-CG2 3.73Å; F837-T839 HydrophobicContact CE2-CG2 3.69Å; T839-I842 HydrophobicContact CG2-CG2 4.17Å; T839-I842 PolarHBondContact OG1-O 2.99Å; T839-K844 HydrophobicContact CG2-CB 4.32Å; T839-K844 HydrophobicContact CG2-CG 4.35Å; T839-K844 WeakPolarHBondContact OG1-CA 3.48Å; T839-K844 PolarHBondContact OG1-N 3.36Å; T839-V847 HydrophobicContact CG2-CB 4.1Å; T839-V847 HydrophobicContact CG2-CG1 4.35Å; T839-V847 HydrophobicContact CG2-CG2 3.93Å; T839-R1090 CarbonylContact C-O 3.49Å; T839-R1090 VanDerWaalsContact CA-O 3.27Å; T839-R1090 WeakPolarHBondContact CA-O 3.44Å; T839-V1091 HydrophobicContact CG2-CG2 4.25Å
840E88Confident84.7Confident100 Ų10059.4 Ų59.447%0.46731%0.313SS..EExtended strand (participates in β ladder)trans-115.2146.3166.6-58-177168.700108.7I842 R1090E840-I842 PolarHBondContact O-N 3.06Å; E840-R1090 HydrophobicContact CB-CB 4.04Å; E840-R1090 HydrophobicContact CB-CG 4.37Å; E840-R1090 PolarHBondContact N-O 3.29Å; E840-R1090 PolarHBondContact O-N 3.35Å; E840-R1090 WeakPolarHBondContact OE2-CD 3.31Å; E840-R1090 IonicContact OE2-CZ 3.08Å; E840-R1090 IonicContact OE2-NE 2.97Å; E840-R1090 IonicContact OE2-NH1 2.64Å; E840-R1090 PolarHBondContact OE2-NH1 3.32Å
841N90.2Very high85.1Confident77 Ų7757.2 Ų57.241%0.41230%0.301SS..SBendtrans60.711.5179.6-54.8-43.3000115.5D1086 N1087 A1088N841-D1086 PolarHBondContact ND2-O 3.42Å; N841-N1087 VanDerWaalsContact ND2-C 3.32Å; N841-A1088 PolarHBondContact ND2-O 3.48Å
842I89.6Confident85.1Confident30 Ų3055.2 Ų55.215%0.15430%0.297CS..SBendtrans-149.5151.2168.8-163.7163000110.8T839 E840 K846 V847 V1053 A1059 V1089T839-I842 HydrophobicContact CG2-CG2 4.17Å; T839-I842 PolarHBondContact OG1-O 2.99Å; E840-I842 PolarHBondContact O-N 3.06Å; I842-K846 HydrophobicContact CD1-CB 4.08Å; I842-K846 HydrophobicContact CG1-CB 4.11Å; I842-K846 HydrophobicContact CG1-CD 4.4Å; I842-V847 HydrophobicContact CD1-CG2 4.09Å; I842-V847 HydrophobicContact CG1-CG2 4.36Å; I842-V847 HydrophobicContact CG2-CG2 3.54Å; I842-V1053 HydrophobicContact CD1-CG1 3.38Å; I842-V1053 HydrophobicContact CD1-CG2 4.37Å; I842-A1059 HydrophobicContact CD1-CB 4.46Å; I842-V1089 HydrophobicContact CB-CG1 4.1Å; I842-V1089 HydrophobicContact CB-CG2 3.86Å; I842-V1089 HydrophobicContact CD1-CG2 4.22Å; I842-V1089 HydrophobicContact CG2-CG1 3.54Å; I842-V1089 HydrophobicContact CG2-CG2 4.26Å
843S85.2Confident84.9Confident66 Ų6656.8 Ų56.846%0.46230%0.304SS..  trans-70.8133.6172.7-159.10000110.6D845 K846S843-D845 VanDerWaalsContact C-N 3.25Å; S843-D845 WeakPolarHBondContact CB-OD1 3.43Å; S843-D845 PolarHBondContact O-N 3.07Å; S843-D845 PolarHBondContact OG-OD1 3.49Å; S843-K846 WeakPolarHBondContact O-CB 3.41Å; S843-K846 PolarHBondContact O-N 3.24Å
844K84.6Confident84.8Confident98 Ų9856.1 Ų56.143%0.42630%0.297SS..G310 helixtrans-60.2-31.9-173.7-175.8172.1172.9170.60113.2F837 T839 K846 V847F837-K844 HydrophobicContact CD2-CG 4.43Å; F837-K844 HydrophobicContact CE2-CD 4.42Å; F837-K844 HydrophobicContact CE2-CG 3.72Å; F837-K844 HydrophobicContact CZ-CG 4.03Å; F837-K844 WeakPolarHBondContact O-CE 3.25Å; F837-K844 PolarHBondContact O-NZ 3.34Å; T839-K844 HydrophobicContact CG2-CB 4.32Å; T839-K844 HydrophobicContact CG2-CG 4.35Å; T839-K844 WeakPolarHBondContact OG1-CA 3.48Å; T839-K844 PolarHBondContact OG1-N 3.36Å; K844-K846 PolarHBondContact O-N 3.17Å; K844-V847 PolarHBondContact O-N 2.92Å; K844-V847 VanDerWaalsContact O-N 3.15Å; K844-V847 VanDerWaalsContact O-O 3.1Å
845D82.4Confident84.1Confident129 Ų12953.9 Ų53.969%0.6929%0.288SS*.G310 helixtrans-67.5-16.7175.762.9-57.5000114S843S843-D845 VanDerWaalsContact C-N 3.25Å; S843-D845 WeakPolarHBondContact CB-OD1 3.43Å; S843-D845 PolarHBondContact O-N 3.07Å; S843-D845 PolarHBondContact OG-OD1 3.49Å
846K87.1Confident83.5Confident72 Ų7261.6 Ų61.631%0.31332%0.319SS..G310 helixtrans-87.4-4.7173.5-63.8-170.2175.3-169.70113.3I842 S843 K844 V1053 S1054 E1058I842-K846 HydrophobicContact CD1-CB 4.08Å; I842-K846 HydrophobicContact CG1-CB 4.11Å; I842-K846 HydrophobicContact CG1-CD 4.4Å; S843-K846 WeakPolarHBondContact O-CB 3.41Å; S843-K846 PolarHBondContact O-N 3.24Å; K844-K846 PolarHBondContact O-N 3.17Å; K846-V1053 CarbonylContact O-C 3.57Å; K846-V1053 VanDerWaalsContact O-CA 3.3Å; K846-V1053 WeakPolarHBondContact O-CA 3.35Å; K846-S1054 PolarHBondContact O-N 3.24Å; K846-S1054 PolarHBondContact O-OG 3.44Å; K846-E1058 IonicContact NZ-OE2 2.91Å
847V87.8Confident82.7Confident10 Ų1062.6 Ų62.66%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-117.4131.8-176-179.30000109.7F837 T839 I842 K844 V849 I1051 N1052 V1053 V1091F837-V847 HydrophobicContact CD2-CG1 4.39Å; F837-V847 HydrophobicContact CE2-CB 3.91Å; F837-V847 HydrophobicContact CE2-CG1 3.74Å; F837-V847 HydrophobicContact CZ-CB 4.42Å; F837-V847 HydrophobicContact CZ-CG1 4.31Å; F837-V847 WeakPolarHBondContact CZ-O 3.48Å; T839-V847 HydrophobicContact CG2-CB 4.1Å; T839-V847 HydrophobicContact CG2-CG1 4.35Å; T839-V847 HydrophobicContact CG2-CG2 3.93Å; I842-V847 HydrophobicContact CD1-CG2 4.09Å; I842-V847 HydrophobicContact CG1-CG2 4.36Å; I842-V847 HydrophobicContact CG2-CG2 3.54Å; K844-V847 PolarHBondContact O-N 2.92Å; K844-V847 VanDerWaalsContact O-N 3.15Å; K844-V847 VanDerWaalsContact O-O 3.1Å; V847-V849 HydrophobicContact CG1-CG2 4.36Å; V847-I1051 HydrophobicContact CG1-CG2 3.84Å; V847-N1052 CarbonylContact C-O 3.54Å; V847-N1052 WeakPolarHBondContact CA-O 3.23Å; V847-V1053 HydrophobicContact CG2-CG2 4.4Å; V847-V1091 HydrophobicContact CG1-CG1 4.31Å; V847-V1091 HydrophobicContact CG1-CG2 3.93Å; V847-V1091 HydrophobicContact CG2-CG2 4.49Å
848S84.4Confident81.7Confident62 Ų6262 Ų6243%0.43432%0.321SS..EExtended strand (participates in β ladder)trans-121.2147.1167.365.20000110.5I1051 N1052S848-I1051 WeakPolarHBondContact O-CA 3.44Å; S848-N1052 PolarHBondContact N-O 3.47Å; S848-N1052 PolarHBondContact O-N 3.35Å
849V87Confident80.9Confident21 Ų2166.9 Ų66.913%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-127.1116.4-177.51790000109.3A835 F837 V847 L851 F854 G1050 I1051 V1091 V1093A835-V849 HydrophobicContact CB-CB 3.57Å; A835-V849 HydrophobicContact CB-CG1 3.58Å; A835-V849 HydrophobicContact CB-CG2 4.45Å; F837-V849 HydrophobicContact CB-CG2 4.48Å; F837-V849 HydrophobicContact CD1-CB 4.21Å; F837-V849 HydrophobicContact CD1-CG2 3.71Å; F837-V849 HydrophobicContact CD2-CG2 4.15Å; F837-V849 HydrophobicContact CE1-CB 4.34Å; F837-V849 HydrophobicContact CE1-CG2 3.9Å; F837-V849 HydrophobicContact CE2-CG2 4.3Å; F837-V849 HydrophobicContact CG-CG2 3.85Å; F837-V849 HydrophobicContact CZ-CG2 4.2Å; V847-V849 HydrophobicContact CG1-CG2 4.36Å; V849-L851 HydrophobicContact CG1-CD2 4.34Å; V849-F854 HydrophobicContact CG1-CB 4.34Å; V849-F854 HydrophobicContact CG1-CG 4.45Å; V849-G1050 CarbonylContact C-O 3.58Å; V849-G1050 WeakPolarHBondContact CA-O 3.49Å; V849-I1051 HydrophobicContact CG1-CG1 4.47Å; V849-I1051 HydrophobicContact CG2-CG1 4.29Å; V849-I1051 HydrophobicContact CG2-CG2 4.38Å; V849-V1091 HydrophobicContact CG2-CG1 4.22Å; V849-V1093 HydrophobicContact CG1-CG2 3.84Å; V849-V1093 HydrophobicContact CG2-CG2 4.4Å
850E83.1Confident80.4Confident76 Ų7668.5 Ų68.536%0.35534%0.336SS..  trans-89.4100.4170-68.8176.8-176.200109S852 K853 F854 G1050E850-S852 PolarHBondContact O-N 3.16Å; E850-K853 PolarHBondContact O-N 3.2Å; E850-K853 VanDerWaalsContact O-N 3.17Å; E850-K853 WeakPolarHBondContact OE2-CD 3.37Å; E850-K853 VanDerWaalsContact OE2-CE 3.27Å; E850-K853 WeakPolarHBondContact OE2-CE 3.08Å; E850-K853 IonicContact OE2-NZ 3.24Å; E850-K853 PolarHBondContact OE2-NZ 3.32Å; E850-F854 WeakPolarHBondContact O-CB 3.42Å; E850-F854 PolarHBondContact O-N 3.28Å; E850-G1050 PolarHBondContact N-O 3.25Å
851L81.9Confident80.1Confident1 Ų168.3 Ų68.31%0.00534%0.338CS..Hα-helixtrans-59.7-31.4-177.3-73.7178.4000113.1F832 A835 V849 K853 F854 L855 Y860 V1093 R1096F832-L851 HydrophobicContact CB-CB 3.49Å; F832-L851 VanDerWaalsContact CB-CB 3.49Å; F832-L851 HydrophobicContact CB-CD1 4.28Å; F832-L851 HydrophobicContact CG-CB 4.32Å; F832-L851 WeakPolarHBondContact O-CD1 3.37Å; A835-L851 HydrophobicContact CB-CD1 4.3Å; A835-L851 HydrophobicContact CB-CD2 3.78Å; A835-L851 HydrophobicContact CB-CG 3.84Å; V849-L851 HydrophobicContact CG1-CD2 4.34Å; L851-K853 PolarHBondContact O-N 3.34Å; L851-F854 HydrophobicContact CD2-CD1 4.23Å; L851-F854 PolarHBondContact O-N 3.04Å; L851-L855 HydrophobicContact CB-CD1 4.18Å; L851-L855 WeakPolarHBondContact O-CB 3.18Å; L851-L855 WeakPolarHBondContact O-CG 3.5Å; L851-L855 PolarHBondContact O-N 2.98Å; L851-Y860 HydrophobicContact CD2-CE1 4.13Å; L851-V1093 HydrophobicContact CD2-CG1 3.9Å; L851-R1096 HydrophobicContact CD1-CB 3.73Å
852S76.3Confident79.7Confident47 Ų4766.6 Ų66.633%0.32933%0.329SS..Hα-helixtrans-57.6-33.8177.854.80000114.1E850E850-S852 PolarHBondContact O-N 3.16Å
853K78.8Confident79.4Confident84 Ų8467.8 Ų67.837%0.36534%0.338SS..Hα-helixtrans-90.6-43.9174.1-73-177.7-171.6152.60111.4E850 L851 L855 K856E850-K853 PolarHBondContact O-N 3.2Å; E850-K853 VanDerWaalsContact O-N 3.17Å; E850-K853 WeakPolarHBondContact OE2-CD 3.37Å; E850-K853 VanDerWaalsContact OE2-CE 3.27Å; E850-K853 WeakPolarHBondContact OE2-CE 3.08Å; E850-K853 IonicContact OE2-NZ 3.24Å; E850-K853 PolarHBondContact OE2-NZ 3.32Å; L851-K853 PolarHBondContact O-N 3.34Å; K853-L855 PolarHBondContact O-N 3.18Å; K853-K856 VanDerWaalsContact O-CB 3.24Å; K853-K856 WeakPolarHBondContact O-CB 3.14Å; K853-K856 PolarHBondContact O-N 3.03Å
854F75.1Confident79.6Confident1 Ų164.7 Ų64.70%0.00432%0.316CS..Hα-helixtrans-56.5-48.7-178.1177.9-97.5000113.1V849 E850 L851 K856 D857 S858 L864 A1049 I1051 V1093V849-F854 HydrophobicContact CG1-CB 4.34Å; V849-F854 HydrophobicContact CG1-CG 4.45Å; E850-F854 WeakPolarHBondContact O-CB 3.42Å; E850-F854 PolarHBondContact O-N 3.28Å; L851-F854 HydrophobicContact CD2-CD1 4.23Å; L851-F854 PolarHBondContact O-N 3.04Å; F854-K856 PolarHBondContact O-N 3.16Å; F854-K856 VanDerWaalsContact O-N 3.15Å; F854-D857 PolarHBondContact O-N 2.9Å; F854-S858 VanDerWaalsContact CE2-CB 3.43Å; F854-S858 WeakPolarHBondContact O-CB 3.32Å; F854-S858 PolarHBondContact O-N 3.04Å; F854-L864 HydrophobicContact CD2-CD2 4.33Å; F854-L864 HydrophobicContact CE2-CD1 3.45Å; F854-L864 VanDerWaalsContact CE2-CD1 3.45Å; F854-L864 HydrophobicContact CE2-CD2 3.81Å; F854-L864 HydrophobicContact CE2-CG 4.27Å; F854-L864 HydrophobicContact CZ-CD1 3.87Å; F854-A1049 WeakPolarHBondContact CA-O 3.4Å; F854-I1051 HydrophobicContact CD2-CD1 3.99Å; F854-I1051 HydrophobicContact CD2-CG1 4.14Å; F854-I1051 HydrophobicContact CE2-CD1 4.05Å; F854-V1093 HydrophobicContact CD1-CB 4.34Å; F854-V1093 HydrophobicContact CD1-CG1 4.45Å; F854-V1093 HydrophobicContact CD1-CG2 4.12Å; F854-V1093 HydrophobicContact CD2-CG2 3.98Å; F854-V1093 HydrophobicContact CE1-CB 3.67Å; F854-V1093 HydrophobicContact CE1-CG1 4.12Å; F854-V1093 HydrophobicContact CE1-CG2 3.74Å; F854-V1093 HydrophobicContact CE2-CB 4.28Å; F854-V1093 HydrophobicContact CE2-CG2 3.56Å; F854-V1093 HydrophobicContact CG-CG2 4.23Å; F854-V1093 HydrophobicContact CZ-CB 3.64Å; F854-V1093 HydrophobicContact CZ-CG2 3.44Å; F854-V1093 VanDerWaalsContact CZ-CG2 3.44Å
855L67.8Low79.8Confident58 Ų5860.3 Ų60.330%0.30430%0.297SS..Hα-helixtrans-67.9-14.3-175.8-71.1170.2000113.3F832 L851 K853 D857 Y860F832-L855 HydrophobicContact CB-CD1 4.38Å; F832-L855 HydrophobicContact CD1-CD1 3.62Å; F832-L855 HydrophobicContact CE1-CD1 4.37Å; F832-L855 HydrophobicContact CG-CD1 4.36Å; L851-L855 HydrophobicContact CB-CD1 4.18Å; L851-L855 WeakPolarHBondContact O-CB 3.18Å; L851-L855 WeakPolarHBondContact O-CG 3.5Å; L851-L855 PolarHBondContact O-N 2.98Å; K853-L855 PolarHBondContact O-N 3.18Å; L855-D857 VanDerWaalsContact C-N 3.33Å; L855-Y860 HydrophobicContact CD2-CE2 3.97Å
856K69.7Low80.2Confident173 Ų17354.2 Ų54.275%0.75227%0.265SS*.Hα-helixtrans-67.9-35.7176.1-166.1-179.7176.5-171.90111.7K853 F854K853-K856 VanDerWaalsContact O-CB 3.24Å; K853-K856 WeakPolarHBondContact O-CB 3.14Å; K853-K856 PolarHBondContact O-N 3.03Å; F854-K856 PolarHBondContact O-N 3.16Å; F854-K856 VanDerWaalsContact O-N 3.15Å
857D68.9Low80.3Confident66 Ų6651.1 Ų51.135%0.35325%0.251SS..Hα-helixtrans-120.7-13.9-172.1-64-50.2000114.1F854 L855 I1044F854-D857 PolarHBondContact O-N 2.9Å; L855-D857 VanDerWaalsContact C-N 3.33Å; D857-I1044 HydrophobicContact CB-CD1 3.62Å; D857-I1044 HydrophobicContact CB-CG1 4.05Å; D857-I1044 HydrophobicContact CB-CG2 4.39Å
858S69.1Low80.1Confident6 Ų652.4 Ų52.44%0.04226%0.256CS..  trans-135154.5-174.6-580000113.7F854 N1039F854-S858 VanDerWaalsContact CE2-CB 3.43Å; F854-S858 WeakPolarHBondContact O-CB 3.32Å; F854-S858 PolarHBondContact O-N 3.04Å; S858-N1039 WeakPolarHBondContact CA-ND2 3.27Å; S858-N1039 WeakPolarHBondContact CB-ND2 3.32Å; S858-N1039 PolarHBondContact OG-ND2 3.47Å
859R72Confident79.8Confident195 Ų19549.5 Ų49.574%0.73624%0.236SC*.  trans-107.5163.4173.5-67.3-174.2-73.6-166.8-3.7110.9D862R859-D862 PolarHBondContact N-OD2 2.88Å; R859-D862 WeakPolarHBondContact O-CB 3.42Å; R859-D862 PolarHBondContact O-N 3.05Å
860Y78.9Confident79Confident67 Ų6751.6 Ų51.626%0.26324%0.243SC..THydrogen-bonded Turntrans-59.1142.6172-67-66.8000111.3L851 L855 D862 V1093 D1095 R1096L851-Y860 HydrophobicContact CD2-CE1 4.13Å; L855-Y860 HydrophobicContact CD2-CE2 3.97Å; Y860-D862 PolarHBondContact O-N 2.83Å; Y860-V1093 CarbonylContact C-O 3.54Å; Y860-V1093 VanDerWaalsContact CA-O 3.32Å; Y860-V1093 WeakPolarHBondContact CA-O 3.42Å; Y860-V1093 HydrophobicContact CD1-CB 4.44Å; Y860-V1093 HydrophobicContact CD1-CG1 3.75Å; Y860-V1093 HydrophobicContact CE1-CG1 3.71Å; Y860-D1095 VanDerWaalsContact CE1-C 3.42Å; Y860-D1095 WeakPolarHBondContact CE1-O 3.36Å; Y860-R1096 HydrophobicContact CE1-CB 4.4Å; Y860-R1096 WeakPolarHBondContact OH-CB 3.32Å; Y860-R1096 WeakPolarHBondContact OH-CD 3.43Å; Y860-R1096 WeakPolarHBondContact OH-CG 3.38Å
861N81.2Confident77.9Confident96 Ų9653.4 Ų53.451%0.51326%0.255SS..THydrogen-bonded Turntrans69.94.8-175.2-54.1-60000116V1093 T1094N861-V1093 PolarHBondContact N-O 3.14Å; N861-T1094 WeakPolarHBondContact OD1-CA 3.45Å
862D82.1Confident76.9Confident41 Ų4156.1 Ų56.122%0.21928%0.283CS..  trans-67.5136.5165.2-72-14.3000109.4R859 Y860 L864 N1039R859-D862 PolarHBondContact N-OD2 2.88Å; R859-D862 WeakPolarHBondContact O-CB 3.42Å; R859-D862 PolarHBondContact O-N 3.05Å; Y860-D862 PolarHBondContact O-N 2.83Å; D862-L864 HydrophobicContact CB-CD1 4.19Å; D862-L864 WeakPolarHBondContact O-CD1 3.12Å; D862-N1039 VanDerWaalsContact CB-OD1 3.32Å; D862-N1039 WeakPolarHBondContact CB-OD1 3.01Å; D862-N1039 PolarHBondContact OD2-ND2 2.9Å; D862-N1039 PolarHBondContact OD2-OD1 2.91Å
863T84.6Confident76.5Confident55 Ų5558 Ų5834%0.33729%0.285SS..EExtended strand (participates in β ladder)trans-95.4115.3176-56.40000109.4V865 R1090 M1092T863-V865 HydrophobicContact CG2-CG2 4.44Å; T863-R1090 HydrophobicContact CG2-CB 4Å; T863-R1090 HydrophobicContact CG2-CG 4.47Å; T863-M1092 WeakPolarHBondContact OG1-CE 3.48Å
864L88.4Confident76.4Confident0 Ų058.9 Ų58.90%029%0.294CS..EExtended strand (participates in β ladder)trans-97.2124.1179.1-70.880.8000109.8F854 D862 W1037 K1038 N1039 I1044 I1051 R1090 V1091F854-L864 HydrophobicContact CD2-CD2 4.33Å; F854-L864 HydrophobicContact CE2-CD1 3.45Å; F854-L864 VanDerWaalsContact CE2-CD1 3.45Å; F854-L864 HydrophobicContact CE2-CD2 3.81Å; F854-L864 HydrophobicContact CE2-CG 4.27Å; F854-L864 HydrophobicContact CZ-CD1 3.87Å; D862-L864 HydrophobicContact CB-CD1 4.19Å; D862-L864 WeakPolarHBondContact O-CD1 3.12Å; L864-W1037 HydrophobicContact CB-CB 4.4Å; L864-W1037 HydrophobicContact CB-CD2 4.42Å; L864-W1037 HydrophobicContact CB-CE3 3.72Å; L864-W1037 HydrophobicContact CB-CZ3 4.39Å; L864-W1037 HydrophobicContact CD2-CB 3.99Å; L864-K1038 VanDerWaalsContact CA-O 3.27Å; L864-K1038 WeakPolarHBondContact CA-O 3.47Å; L864-N1039 HydrophobicContact CD2-CB 4.37Å; L864-N1039 HydrophobicContact CG-CB 4.06Å; L864-I1044 HydrophobicContact CD2-CD1 4.32Å; L864-I1051 HydrophobicContact CB-CD1 4.19Å; L864-I1051 HydrophobicContact CD2-CD1 3.75Å; L864-I1051 HydrophobicContact CG-CD1 4.36Å; L864-R1090 CarbonylContact O-C 3.6Å; L864-R1090 VanDerWaalsContact O-CA 3.23Å; L864-R1090 WeakPolarHBondContact O-CA 3.48Å; L864-V1091 PolarHBondContact N-O 2.83Å; L864-V1091 PolarHBondContact O-N 2.9Å
865V89.7Confident76.8Confident7 Ų759.6 Ų59.64%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-106.7134.8-178.4-175.90000109.2T863 Y867 K1038 E1085 A1088 V1089 R1090T863-V865 HydrophobicContact CG2-CG2 4.44Å; V865-Y867 HydrophobicContact CB-CD2 4.4Å; V865-Y867 HydrophobicContact CB-CE2 3.9Å; V865-Y867 HydrophobicContact CG1-CD2 4.27Å; V865-Y867 HydrophobicContact CG1-CE2 3.75Å; V865-Y867 WeakPolarHBondContact O-CD2 3.37Å; V865-K1038 PolarHBondContact N-O 3.23Å; V865-K1038 PolarHBondContact O-N 3.19Å; V865-E1085 HydrophobicContact CG1-CB 4.32Å; V865-E1085 HydrophobicContact CG1-CG 4.28Å; V865-A1088 HydrophobicContact CG1-CB 3.71Å; V865-V1089 WeakPolarHBondContact CA-O 3.18Å; V865-R1090 HydrophobicContact CG2-CG 4.2Å
866L91.3Very high77.7Confident0 Ų061.9 Ų61.90%031%0.309CS..EExtended strand (participates in β ladder)trans-80.6126.6-179.1-17266.7000111.9Y1035 W1037 Y1046 A1059 C1061 I1062 V1089L866-Y1035 HydrophobicContact CD1-CD1 4.15Å; L866-Y1035 HydrophobicContact CD2-CD1 4.33Å; L866-Y1035 HydrophobicContact CG-CD1 4.33Å; L866-W1037 HydrophobicContact CB-CE3 4.28Å; L866-W1037 HydrophobicContact CB-CH2 4.26Å; L866-W1037 HydrophobicContact CB-CZ3 4Å; L866-W1037 HydrophobicContact CD1-CD2 4.16Å; L866-W1037 HydrophobicContact CD1-CE3 4.44Å; L866-W1037 HydrophobicContact CD1-CH2 4.3Å; L866-W1037 HydrophobicContact CD1-CZ2 3.97Å; L866-Y1046 HydrophobicContact CD1-CD2 4.35Å; L866-A1059 HydrophobicContact CD2-CB 3.66Å; L866-C1061 HydrophobicContact CB-CB 4.35Å; L866-C1061 HydrophobicContact CD2-CB 4.09Å; L866-C1061 HydrophobicContact CG-CB 3.93Å; L866-C1061 VanDerWaalsContact O-CA 3.3Å; L866-C1061 WeakPolarHBondContact O-CA 3.42Å; L866-C1061 WeakPolarHBondContact O-CB 3.46Å; L866-I1062 PolarHBondContact O-N 2.83Å; L866-V1089 HydrophobicContact CB-CB 3.96Å; L866-V1089 HydrophobicContact CD2-CB 4.18Å; L866-V1089 HydrophobicContact CD2-CG2 4.44Å; L866-V1089 PolarHBondContact N-O 3.08Å
867Y88.5Confident78.6Confident7 Ų753.9 Ų53.93%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-119.7153.2176.6-78.8-106.9000110.5V865 Y1035 E1036 K1038 Y1043 I1062 Y1064 Y1081 E1085V865-Y867 HydrophobicContact CB-CD2 4.4Å; V865-Y867 HydrophobicContact CB-CE2 3.9Å; V865-Y867 HydrophobicContact CG1-CD2 4.27Å; V865-Y867 HydrophobicContact CG1-CE2 3.75Å; V865-Y867 WeakPolarHBondContact O-CD2 3.37Å; Y867-Y1035 WeakPolarHBondContact O-CA 3.24Å; Y867-E1036 PolarHBondContact N-O 2.9Å; Y867-E1036 PolarHBondContact O-N 3.45Å; Y867-K1038 HydrophobicContact CD2-CB 3.64Å; Y867-K1038 HydrophobicContact CD2-CD 4.42Å; Y867-K1038 HydrophobicContact CE2-CB 3.45Å; Y867-K1038 VanDerWaalsContact CE2-CB 3.45Å; Y867-K1038 HydrophobicContact CE2-CD 3.48Å; Y867-K1038 VanDerWaalsContact CE2-CD 3.48Å; Y867-K1038 HydrophobicContact CE2-CG 4.11Å; Y867-K1038 WeakPolarHBondContact OH-CD 3.35Å; Y867-Y1043 HydrophobicContact CD1-CE1 4.23Å; Y867-Y1043 HydrophobicContact CD2-CE1 4.44Å; Y867-Y1043 HydrophobicContact CE1-CE1 4.26Å; Y867-Y1043 HydrophobicContact CG-CE1 4.32Å; Y867-I1062 CarbonylContact C-O 3.6Å; Y867-I1062 WeakPolarHBondContact CA-O 3.35Å; Y867-I1062 HydrophobicContact CD1-CB 3.52Å; Y867-I1062 HydrophobicContact CD1-CG1 4.45Å; Y867-I1062 HydrophobicContact CD1-CG2 3.55Å; Y867-I1062 HydrophobicContact CD2-CB 4.41Å; Y867-I1062 HydrophobicContact CE1-CB 3.47Å; Y867-I1062 VanDerWaalsContact CE1-CB 3.47Å; Y867-I1062 HydrophobicContact CE1-CG1 4.02Å; Y867-I1062 HydrophobicContact CE1-CG2 3.27Å; Y867-I1062 HydrophobicContact CE2-CB 4.36Å; Y867-I1062 HydrophobicContact CE2-CG1 4.34Å; Y867-I1062 HydrophobicContact CG-CB 4.02Å; Y867-Y1064 HydrophobicContact CD1-CD1 4.16Å; Y867-Y1081 AromaticContact CD1-CD1 3.4Å; Y867-Y1081 HydrophobicContact CD1-CD1 3.4Å; Y867-Y1081 AromaticContact CD1-CE1 3.41Å; Y867-Y1081 HydrophobicContact CD1-CE1 3.41Å; Y867-Y1081 VanDerWaalsContact CD1-CE1 3.41Å; Y867-Y1081 AromaticContact CE1-CD1 3.17Å; Y867-Y1081 HydrophobicContact CE1-CD1 3.17Å; Y867-Y1081 AromaticContact CE1-CE1 3.45Å; Y867-Y1081 HydrophobicContact CE1-CE1 3.45Å; Y867-Y1081 VanDerWaalsContact CE1-CE1 3.45Å; Y867-Y1081 HydrophobicContact CE1-CG 4.01Å; Y867-E1085 WeakPolarHBondContact OH-CG 3.25Å; Y867-E1085 PolarHBondContact OH-OE1 3.4Å
868K84.1Confident79.5Confident38 Ų3853.5 Ų53.517%0.16528%0.279CS..EExtended strand (participates in β ladder)trans-142.1135.7177.8-171.5-166.3175178.30110.5S1033 Y1035 C1061 I1062 E1063 Y1064K868-S1033 WeakPolarHBondContact CE-OG 3.42Å; K868-Y1035 HydrophobicContact CB-CD1 4.03Å; K868-Y1035 HydrophobicContact CB-CE1 4.09Å; K868-Y1035 HydrophobicContact CD-CD1 4.47Å; K868-Y1035 HydrophobicContact CD-CE1 3.8Å; K868-Y1035 HydrophobicContact CD-CE2 4.31Å; K868-Y1035 HydrophobicContact CG-CD1 4.03Å; K868-Y1035 HydrophobicContact CG-CD2 4.49Å; K868-Y1035 HydrophobicContact CG-CE1 3.87Å; K868-Y1035 HydrophobicContact CG-CE2 4.33Å; K868-Y1035 HydrophobicContact CG-CG 4.37Å; K868-C1061 HydrophobicContact CB-CB 4.14Å; K868-C1061 VanDerWaalsContact CB-SG 3.52Å; K868-I1062 PolarHBondContact N-O 3.17Å; K868-E1063 CarbonylContact O-C 3.6Å; K868-E1063 VanDerWaalsContact O-CA 3.27Å; K868-E1063 WeakPolarHBondContact O-CA 3.34Å; K868-Y1064 VanDerWaalsContact O-CD1 3.26Å; K868-Y1064 WeakPolarHBondContact O-CD1 3.32Å; K868-Y1064 PolarHBondContact O-N 2.82Å
869S76.8Confident80.4Confident1 Ų153.4 Ų53.41%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-71146.5168.765.60000111.4D871 K1032 E1034S869-D871 PolarHBondContact O-N 2.96Å; S869-K1032 PolarHBondContact OG-O 2.9Å; S869-E1034 PolarHBondContact N-O 3.15Å; S869-E1034 VanDerWaalsContact N-O 3.14Å; S869-E1034 PolarHBondContact OG-N 3.45Å; S869-E1034 VanDerWaalsContact OG-N 3.1Å
870K70.8Confident81.2Confident64 Ų6448 Ų4828%0.27826%0.264SS..PPolyproline II helixtrans-58.4135.7169.4-97.6-178.9-176.8164.20112.1S1031 Y1064 D1065K870-S1031 PolarHBondContact O-OG 3.28Å; K870-Y1064 PolarHBondContact N-O 2.76Å; K870-D1065 IonicContact NZ-OD2 3.66Å
871D60.5Low81.6Confident115 Ų11544.8 Ų44.862%0.61525%0.251SS*.THydrogen-bonded Turntrans-70.2135.2-169.7-148.8-9.3000113S869 K873 S1033S869-D871 PolarHBondContact O-N 2.96Å; D871-K873 PolarHBondContact O-N 2.58Å; D871-S1033 VanDerWaalsContact OD1-CB 3.22Å; D871-S1033 WeakPolarHBondContact OD1-CB 3.3Å
872G61.2Low81.7Confident58 Ų5843.7 Ų43.760%0.59825%0.251SS*.THydrogen-bonded Turntrans61.325.4165.500000117.8
873K67.5Low81.6Confident85 Ų8546.2 Ų46.237%0.3727%0.272SS..  trans-93.6134.9177.3-80.7-170178.8-176.70112.9D871 Y875 S1031 D1065D871-K873 PolarHBondContact O-N 2.58Å; K873-Y875 HydrophobicContact CB-CE1 4.2Å; K873-Y875 HydrophobicContact CB-CE2 3.8Å; K873-Y875 HydrophobicContact CD-CE1 4.18Å; K873-Y875 WeakPolarHBondContact O-CD2 3.43Å; K873-Y875 WeakPolarHBondContact O-CE2 3.24Å; K873-S1031 PolarHBondContact O-N 3.33Å; K873-D1065 WeakPolarHBondContact CD-OD1 3.15Å; K873-D1065 IonicContact NZ-OD1 2.69Å; K873-D1065 PolarHBondContact NZ-OD1 2.82Å; K873-D1065 VanDerWaalsContact NZ-OD1 3.09Å; K873-D1065 IonicContact NZ-OD2 2.71Å; K873-D1065 PolarHBondContact NZ-OD2 2.84Å
874N76.3Confident81.5Confident103 Ų10346 Ų4655%0.55127%0.266SS*.EExtended strand (participates in β ladder)trans-91.4123.6165.5-70.1-20.1000109.5E1030N874-E1030 VanDerWaalsContact OD1-CB 3.27Å; N874-E1030 WeakPolarHBondContact OD1-CB 3.45Å; N874-E1030 WeakPolarHBondContact OD1-CG 3.29Å
875Y83.8Confident81.2Confident16 Ų1650.5 Ų50.56%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-104.4130.7177.6-56-84.5000109.5K873 L1028 Y1029 D1065 Y1066 F1077K873-Y875 HydrophobicContact CB-CE1 4.2Å; K873-Y875 HydrophobicContact CB-CE2 3.8Å; K873-Y875 HydrophobicContact CD-CE1 4.18Å; K873-Y875 WeakPolarHBondContact O-CD2 3.43Å; K873-Y875 WeakPolarHBondContact O-CE2 3.24Å; Y875-L1028 WeakPolarHBondContact O-CA 3.22Å; Y875-Y1029 AromaticContact CD2-CD1 3.89Å; Y875-Y1029 HydrophobicContact CD2-CD1 3.89Å; Y875-Y1029 WeakPolarHBondContact CD2-O 3.12Å; Y875-Y1029 PolarHBondContact N-O 3.34Å; Y875-Y1029 PolarHBondContact O-N 3.31Å; Y875-D1065 WeakPolarHBondContact CE1-OD1 3.35Å; Y875-D1065 PolarHBondContact OH-OD1 3.4Å; Y875-Y1066 WeakPolarHBondContact CD1-O 3.23Å; Y875-Y1066 HydrophobicContact CD2-CD2 4.11Å; Y875-Y1066 HydrophobicContact CD2-CG 4.36Å; Y875-Y1066 VanDerWaalsContact CE1-N 3.3Å; Y875-Y1066 WeakPolarHBondContact CE1-O 3.48Å; Y875-Y1066 AromaticContact CE2-CD2 3.62Å; Y875-Y1066 HydrophobicContact CE2-CD2 3.62Å; Y875-Y1066 HydrophobicContact CE2-CG 4.22Å; Y875-Y1066 AromaticContact CZ-CD2 3.86Å; Y875-F1077 VanDerWaalsContact CB-CE1 3.44Å; Y875-F1077 WeakPolarHBondContact O-CZ 3.29Å
876N85.8Confident81Confident106 Ų10653.1 Ų53.157%0.56731%0.314SS*.EExtended strand (participates in β ladder)trans-125137.7-175.4-51.612.7000108.5F1027 L1028N876-F1027 CarbonylContact C-O 3.54Å; N876-F1027 VanDerWaalsContact CA-O 3.26Å; N876-F1027 WeakPolarHBondContact CA-O 3.36Å; N876-L1028 HydrophobicContact CB-CD2 4.41Å
877G88.9Confident80.8Confident6 Ų658.1 Ų58.16%0.06234%0.341CS..EExtended strand (participates in β ladder)trans-136.7156.2170.600000109.6E1026 F1027 F1068G877-E1026 CarbonylContact O-C 3.56Å; G877-E1026 WeakPolarHBondContact O-CA 3.45Å; G877-F1027 PolarHBondContact N-O 3Å; G877-F1027 PolarHBondContact O-N 2.87Å; G877-F1068 VanDerWaalsContact CA-CG 3.47Å
878S88.5Confident80.6Confident57 Ų5761.8 Ų61.840%0.39936%0.355SS..EExtended strand (participates in β ladder)trans-138.6137178.3-174.40000109.8S1024 E1026S878-S1024 WeakPolarHBondContact OG-CB 3.49Å; S878-E1026 WeakPolarHBondContact CB-OE1 2.88Å; S878-E1026 WeakPolarHBondContact CB-OE2 3.44Å; S878-E1026 PolarHBondContact OG-OE1 3.46Å
879V88.6Confident80.6Confident4 Ų465.2 Ų65.22%0.02437%0.37CS..EExtended strand (participates in β ladder)trans-114.7109.8171.3-1780000108V881 I914 S1024 V1025 F1027 F1068 Y1075V879-V881 PolarHBondContact O-N 3.22Å; V879-I914 HydrophobicContact CG1-CD1 4.27Å; V879-S1024 CarbonylContact O-C 3.54Å; V879-S1024 VanDerWaalsContact O-CA 3.23Å; V879-S1024 WeakPolarHBondContact O-CA 3.31Å; V879-V1025 PolarHBondContact N-O 3.35Å; V879-V1025 PolarHBondContact O-N 2.97Å; V879-F1027 HydrophobicContact CB-CE2 4.26Å; V879-F1027 HydrophobicContact CG2-CD2 4.16Å; V879-F1027 HydrophobicContact CG2-CE2 3.53Å; V879-F1027 HydrophobicContact CG2-CZ 4.3Å; V879-F1068 HydrophobicContact CG2-CZ 3.81Å; V879-Y1075 HydrophobicContact CG1-CE1 4.25Å; V879-Y1075 HydrophobicContact CG1-CE2 4.44Å; V879-Y1075 HydrophobicContact CG2-CD1 3.45Å; V879-Y1075 VanDerWaalsContact CG2-CD1 3.45Å; V879-Y1075 HydrophobicContact CG2-CD2 4.32Å; V879-Y1075 HydrophobicContact CG2-CE1 3.74Å; V879-Y1075 HydrophobicContact CG2-CG 3.75Å
880D87.7Confident80.6Confident82 Ų8267 Ų6744%0.43938%0.381SS..EExtended strand (participates in β ladder)trans-69.4117.2171.4178.84.4000110.1S882 S883D880-S882 VanDerWaalsContact CG-OG 3.24Å; D880-S882 VanDerWaalsContact OD1-CB 3.28Å; D880-S882 WeakPolarHBondContact OD1-CB 3.45Å; D880-S882 PolarHBondContact OD1-N 2.92Å; D880-S882 PolarHBondContact OD1-OG 2.82Å; D880-S882 PolarHBondContact OD2-OG 2.77Å; D880-S882 VanDerWaalsContact OD2-OG 3.13Å; D880-S883 PolarHBondContact O-OG 2.88Å
881V88.2Confident80.7Confident0 Ų067.7 Ų67.70%039%0.39CS..SBendtrans-86.9-13.3-178-60.50000112.9V879 S883 K884 F912 I914 L929 F1021 S1022 G1023 V1025V879-V881 PolarHBondContact O-N 3.22Å; V881-S883 PolarHBondContact O-N 3.41Å; V881-S883 VanDerWaalsContact O-N 3.16Å; V881-K884 WeakPolarHBondContact O-CB 3.45Å; V881-K884 PolarHBondContact O-N 3.37Å; V881-F912 HydrophobicContact CB-CE2 4.16Å; V881-F912 HydrophobicContact CB-CZ 3.75Å; V881-F912 HydrophobicContact CG1-CE2 3.84Å; V881-F912 HydrophobicContact CG1-CZ 3.68Å; V881-F912 HydrophobicContact CG2-CZ 4.48Å; V881-I914 HydrophobicContact CG1-CD1 4.25Å; V881-L929 HydrophobicContact CG1-CD1 4.2Å; V881-L929 HydrophobicContact CG2-CD1 4.23Å; V881-L929 HydrophobicContact CG2-CG 4.35Å; V881-F1021 HydrophobicContact CG2-CB 4.13Å; V881-S1022 WeakPolarHBondContact CG2-O 3.29Å; V881-G1023 WeakPolarHBondContact CG2-O 3.41Å; V881-G1023 PolarHBondContact N-O 3.1Å; V881-V1025 HydrophobicContact CG1-CG2 3.96Å
882S82.6Confident81Confident73 Ų7364.1 Ų64.151%0.5137%0.374SS..THydrogen-bonded Turntrans-64.6-21.8-179.270.60000113.6D880 F1021D880-S882 VanDerWaalsContact CG-OG 3.24Å; D880-S882 VanDerWaalsContact OD1-CB 3.28Å; D880-S882 WeakPolarHBondContact OD1-CB 3.45Å; D880-S882 PolarHBondContact OD1-N 2.92Å; D880-S882 PolarHBondContact OD1-OG 2.82Å; D880-S882 PolarHBondContact OD2-OG 2.77Å; D880-S882 VanDerWaalsContact OD2-OG 3.13Å; S882-F1021 WeakPolarHBondContact CA-O 3.48Å
883S78.9Confident80.9Confident93 Ų9364.1 Ų64.165%0.6536%0.364SS*.THydrogen-bonded Turntrans-91.9-5.417767.10000114.2D880 V881D880-S883 PolarHBondContact O-OG 2.88Å; V881-S883 PolarHBondContact O-N 3.41Å; V881-S883 VanDerWaalsContact O-N 3.16Å
884K83.4Confident80.5Confident51 Ų5166 Ų6622%0.22238%0.378CS..  trans-79.1131.9-176.4-68.6-71.6179.5178.50111V881 F912 Y1075V881-K884 WeakPolarHBondContact O-CB 3.45Å; V881-K884 PolarHBondContact O-N 3.37Å; K884-F912 HydrophobicContact CB-CD2 4.07Å; K884-F912 HydrophobicContact CB-CE2 4.41Å; K884-F912 HydrophobicContact CB-CG 4.4Å; K884-F912 HydrophobicContact CG-CD2 4.23Å; K884-F912 HydrophobicContact CG-CE2 4.31Å; K884-Y1075 PolarHBondContact NZ-OH 3.01Å
885A81.6Confident79.8Confident95 Ų9563.5 Ų63.579%0.78537%0.365SS*.  trans-66.3137.4164.800000108.9F912A885-F912 WeakPolarHBondContact O-CB 3.33Å
886F86.9Confident78.6Confident61 Ų6168.4 Ų68.427%0.26840%0.397SS..  trans-126.9148.2178.354.9-97.4000109.9F910 S911 F912 A1019 F1021F886-F910 HydrophobicContact CD2-CB 4.36Å; F886-F910 AromaticContact CD2-CD1 3.67Å; F886-F910 HydrophobicContact CD2-CD1 3.67Å; F886-F910 AromaticContact CE2-CD1 3.51Å; F886-F910 HydrophobicContact CE2-CD1 3.51Å; F886-F910 AromaticContact CE2-CE1 4Å; F886-F910 HydrophobicContact CE2-CE1 4Å; F886-S911 CarbonylContact C-O 3.53Å; F886-S911 WeakPolarHBondContact CA-O 3.4Å; F886-S911 WeakPolarHBondContact CB-O 3.41Å; F886-F912 HydrophobicContact CB-CB 4.04Å; F886-F912 HydrophobicContact CB-CD1 4.38Å; F886-A1019 HydrophobicContact CZ-CB 4.49Å; F886-A1019 WeakPolarHBondContact CZ-O 3.37Å; F886-F1021 HydrophobicContact CB-CD2 4.27Å; F886-F1021 HydrophobicContact CB-CE2 4.06Å; F886-F1021 AromaticContact CD1-CD2 3.9Å; F886-F1021 HydrophobicContact CD1-CD2 3.9Å; F886-F1021 HydrophobicContact CD1-CE2 4.36Å; F886-F1021 HydrophobicContact CG-CD2 4.15Å; F886-F1021 HydrophobicContact CG-CE2 4.14Å
887D86.4Confident77Confident105 Ų10568.4 Ų68.456%0.56139%0.393SS*.EExtended strand (participates in β ladder)trans-84.7150.8171.5-68.8-45.4000110.3F889 F910 S911D887-F889 HydrophobicContact CB-CD2 4.37Å; D887-F889 HydrophobicContact CB-CE2 3.52Å; D887-F889 HydrophobicContact CB-CZ 3.92Å; D887-F910 CarbonylContact O-C 3.5Å; D887-F910 VanDerWaalsContact O-CA 3.29Å; D887-F910 WeakPolarHBondContact O-CA 3.21Å; D887-S911 PolarHBondContact N-O 2.84Å; D887-S911 PolarHBondContact O-N 3.02Å
888R83.6Confident75.2Confident84 Ų8470 Ų7032%0.31741%0.406SS..EExtended strand (participates in β ladder)trans-121.1127.1178.8176.6-169.4-57.3-166.5-9.7108.8I909 F910 D1015 W1017R888-I909 WeakPolarHBondContact CA-O 3.42Å; R888-F910 HydrophobicContact CB-CD1 4.25Å; R888-F910 HydrophobicContact CB-CE1 4.19Å; R888-F910 HydrophobicContact CG-CD1 4.31Å; R888-F910 HydrophobicContact CG-CE1 3.86Å; R888-F910 HydrophobicContact CG-CZ 4.24Å; R888-D1015 VanDerWaalsContact NH1-CA 3.32Å; R888-D1015 PolarHBondContact NH1-O 2.84Å; R888-D1015 IonicContact NH1-OD1 3.07Å; R888-W1017 PolarHBondContact NH2-O 2.78Å
889F83.9Confident73.5Confident110 Ų11075.5 Ų75.548%0.48243%0.431SS..EExtended strand (participates in β ladder)trans-124.4126173.3-58.9-80.3000109.4D887 I909D887-F889 HydrophobicContact CB-CD2 4.37Å; D887-F889 HydrophobicContact CB-CE2 3.52Å; D887-F889 HydrophobicContact CB-CZ 3.92Å; F889-I909 HydrophobicContact CB-CB 4.37Å; F889-I909 PolarHBondContact N-O 2.53Å; F889-I909 PolarHBondContact O-N 3.34Å
890T78.3Confident71.8Confident38 Ų3877.1 Ų77.123%0.23344%0.442CS..EExtended strand (participates in β ladder)trans-116.4123.7173.944.90000109.9T907 C908 A1014T890-T907 WeakPolarHBondContact CA-O 3.38Å; T890-C908 HydrophobicContact CG2-CB 4.23Å; T890-C908 WeakPolarHBondContact CG2-SG 3.41Å; T890-A1014 WeakPolarHBondContact CG2-O 3.32Å
891T71.3Confident70.3Confident79 Ų7983.3 Ų83.349%0.48547%0.469SS..EExtended strand (participates in β ladder)trans-123.8110.318041.50000110T907T891-T907 PolarHBondContact N-O 3.11Å; T891-T907 PolarHBondContact O-N 3.49Å
892P67.7Low69.1Low40 Ų4086.5 Ų86.526%0.2649%0.491SS..EExtended strand (participates in β ladder)trans-79.5141.2172.930.7-33000111.1L895 V906 F1011P892-L895 HydrophobicContact CB-CD1 4.4Å; P892-L895 HydrophobicContact CB-CD2 3.79Å; P892-L895 HydrophobicContact CB-CG 3.93Å; P892-L895 HydrophobicContact CG-CD1 3.63Å; P892-L895 HydrophobicContact CG-CD2 3.9Å; P892-L895 HydrophobicContact CG-CG 3.7Å; P892-V906 HydrophobicContact CB-CG2 4.11Å; P892-F1011 HydrophobicContact CB-CD1 4.08Å; P892-F1011 HydrophobicContact CB-CE1 4.17Å; P892-F1011 HydrophobicContact CB-CG 4.4Å; P892-F1011 HydrophobicContact CG-CD1 3.85Å; P892-F1011 HydrophobicContact CG-CE1 3.59Å; P892-F1011 HydrophobicContact CG-CZ 4.16Å
893S58.4Low68.6Low58 Ų5884.8 Ų84.841%0.40648%0.477SS..SBendtrans-94.9118.6165.852.90000109.7P904 T905S893-P904 WeakPolarHBondContact O-CB 3.42Å; S893-T905 PolarHBondContact N-O 3.11Å; S893-T905 PolarHBondContact OG-O 3.35Å
894N59.7Low68.3Low124 Ų12481.1 Ų81.166%0.66345%0.45SS*.  trans64.176.5177-65.1-32.3000117.3T896N894-T896 PolarHBondContact O-N 2.89Å
895L61.8Low68.2Low51 Ų5180.7 Ų80.727%0.26745%0.452SS..THydrogen-bonded Turntrans-75.7-1171.5-69.1172.8000114.9P892 Q897 V1001 N1009 F1011P892-L895 HydrophobicContact CB-CD1 4.4Å; P892-L895 HydrophobicContact CB-CD2 3.79Å; P892-L895 HydrophobicContact CB-CG 3.93Å; P892-L895 HydrophobicContact CG-CD1 3.63Å; P892-L895 HydrophobicContact CG-CD2 3.9Å; P892-L895 HydrophobicContact CG-CG 3.7Å; L895-Q897 PolarHBondContact O-N 2.9Å; L895-V1001 HydrophobicContact CD2-CG2 4.31Å; L895-N1009 HydrophobicContact CB-CB 4.45Å; L895-N1009 PolarHBondContact O-ND2 3.29Å; L895-F1011 HydrophobicContact CD2-CB 4.06Å; L895-F1011 HydrophobicContact CD2-CD1 3.8Å; L895-F1011 HydrophobicContact CD2-CG 4.31Å
896T58.4Low68.2Low119 Ų11976.2 Ų76.273%0.7342%0.415SS*.THydrogen-bonded Turntrans-81.3-5.2-168.542.40000115.4N894N894-T896 PolarHBondContact O-N 2.89Å
897Q52Low68.2Low106 Ų10674.5 Ų74.550%0.49541%0.41SS..  trans-117.976.1178.6-65.7-177.148.200111.5L895 D899 S900L895-Q897 PolarHBondContact O-N 2.9Å; Q897-D899 PolarHBondContact O-N 3.34Å; Q897-S900 WeakPolarHBondContact CB-OG 3.46Å; Q897-S900 PolarHBondContact OE1-OG 2.81Å
898A51.9Low68.2Low41 Ų4169.5 Ų69.534%0.33938%0.383SS..THydrogen-bonded Turntrans-67.2122.5159.100000107.3V1001A898-V1001 HydrophobicContact CB-CG1 4.41Å
899D52.1Low68.5Low171 Ų17167.1 Ų67.191%0.91438%0.376SS*.THydrogen-bonded Turntrans86.314.3179.3-60.1-32.2000120.2Q897Q897-D899 PolarHBondContact O-N 3.34Å
900S52.3Low68.9Low38 Ų3861.9 Ų61.927%0.26635%0.353SS..SBendtrans-92.3152.4165.477.20000112.7Q897 S902Q897-S900 WeakPolarHBondContact CB-OG 3.46Å; Q897-S900 PolarHBondContact OE1-OG 2.81Å; S900-S902 PolarHBondContact O-N 3.04Å; S900-S902 PolarHBondContact OG-OG 2.86Å
901Q57.2Low69.5Low212 Ų21260.7 Ų60.799%0.99135%0.346SS*.SBendtrans-61.9-1.5-179.1-82.3-172.8-14.300114.8
902S62.4Low70.5Confident68 Ų6857.3 Ų57.348%0.47633%0.325SS..SBendtrans-109.696.4176.960.20000111.5S900S900-S902 PolarHBondContact O-N 3.04Å; S900-S902 PolarHBondContact OG-OG 2.86Å
903N71.6Confident71.7Confident37 Ų3759.7 Ų59.720%0.19834%0.336CS..PPolyproline II helixtrans-53.5127.9168.8-72.9-7.1000110.6K998 C999 K1000N903-K998 HydrophobicContact CB-CB 3.92Å; N903-K998 WeakPolarHBondContact O-CD 3.13Å; N903-C999 WeakPolarHBondContact CA-O 3.47Å; N903-C999 WeakPolarHBondContact CB-O 3.48Å; N903-K1000 WeakPolarHBondContact OD1-CG 3.45Å
904P74.4Confident73.3Confident15 Ų1557 Ų5710%0.09732%0.317CS..PPolyproline II helixtrans-58.2147.5174.122.7-36.6000112.3S893 K998 C999 V1001S893-P904 WeakPolarHBondContact O-CB 3.42Å; P904-K998 VanDerWaalsContact O-CA 3.25Å; P904-K998 WeakPolarHBondContact O-CA 3.42Å; P904-C999 WeakPolarHBondContact CD-O 3.46Å; P904-C999 WeakPolarHBondContact CG-O 3.11Å; P904-C999 PolarHBondContact O-N 2.83Å; P904-C999 VanDerWaalsContact O-N 3.1Å; P904-V1001 HydrophobicContact CG-CG2 3.41Å; P904-V1001 VanDerWaalsContact CG-CG2 3.41Å
905T81Confident74.9Confident43 Ų4354.2 Ų54.226%0.26430%0.301SS..EExtended strand (participates in β ladder)trans-86124171.9-55.10000108.4S893 Y997 K998S893-T905 PolarHBondContact N-O 3.11Å; S893-T905 PolarHBondContact OG-O 3.35Å; T905-Y997 CarbonylContact C-O 3.58Å; T905-Y997 VanDerWaalsContact CA-O 3.31Å; T905-Y997 WeakPolarHBondContact CA-O 3.47Å; T905-K998 WeakPolarHBondContact OG1-CE 3.37Å
906V81.6Confident76.3Confident0 Ų051.8 Ų51.80%029%0.289CS..EExtended strand (participates in β ladder)trans-105.2130.2173.8-177.50000107.8P892 S996 Y997 C999 F1011P892-V906 HydrophobicContact CB-CG2 4.11Å; V906-S996 CarbonylContact O-C 3.55Å; V906-S996 WeakPolarHBondContact O-CA 3.07Å; V906-Y997 HydrophobicContact CB-CD1 4.22Å; V906-Y997 HydrophobicContact CB-CD2 4.4Å; V906-Y997 HydrophobicContact CB-CE1 3.69Å; V906-Y997 HydrophobicContact CB-CE2 3.92Å; V906-Y997 HydrophobicContact CG1-CE1 3.71Å; V906-Y997 HydrophobicContact CG1-CE2 4.48Å; V906-Y997 WeakPolarHBondContact CG1-OH 3.22Å; V906-Y997 HydrophobicContact CG2-CE2 4.06Å; V906-Y997 PolarHBondContact N-O 3.19Å; V906-Y997 PolarHBondContact O-N 3.44Å; V906-C999 WeakPolarHBondContact CG2-SG 3.38Å; V906-F1011 HydrophobicContact CB-CD2 4.49Å; V906-F1011 HydrophobicContact CG1-CD2 4.03Å; V906-F1011 HydrophobicContact CG1-CE2 3.64Å; V906-F1011 HydrophobicContact CG1-CZ 4.44Å; V906-F1011 HydrophobicContact CG2-CD2 3.68Å; V906-F1011 HydrophobicContact CG2-CE2 4.15Å; V906-F1011 HydrophobicContact CG2-CG 4.23Å
907T86.3Confident77.7Confident26 Ų2648.2 Ų48.216%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-100.2124.6169.8-58.60000108.6T890 T891 I909 E994 F995 S996T890-T907 WeakPolarHBondContact CA-O 3.38Å; T891-T907 PolarHBondContact N-O 3.11Å; T891-T907 PolarHBondContact O-N 3.49Å; T907-I909 HydrophobicContact CG2-CG1 4.01Å; T907-E994 HydrophobicContact CG2-CB 4.15Å; T907-E994 WeakPolarHBondContact CG2-OE2 3.36Å; T907-F995 WeakPolarHBondContact CA-O 3.46Å; T907-S996 PolarHBondContact OG1-OG 2.98Å
908C86.9Confident79.3Confident0 Ų043.3 Ų43.30%025%0.246CC..EExtended strand (participates in β ladder)trans-94.9132.3166-71.30000108.1T890 F910 E994 F995 Y997T890-C908 HydrophobicContact CG2-CB 4.23Å; T890-C908 WeakPolarHBondContact CG2-SG 3.41Å; C908-F910 HydrophobicContact CB-CD2 4.42Å; C908-F910 HydrophobicContact CB-CE2 3.69Å; C908-F910 HydrophobicContact CB-CZ 4.42Å; C908-E994 CarbonylContact O-C 3.5Å; C908-E994 WeakPolarHBondContact O-CA 3.44Å; C908-E994 WeakPolarHBondContact O-CB 3.32Å; C908-F995 HydrophobicContact CB-CD1 4.18Å; C908-F995 HydrophobicContact CB-CE1 3.77Å; C908-F995 HydrophobicContact CB-CE2 4.17Å; C908-F995 HydrophobicContact CB-CZ 3.73Å; C908-F995 PolarHBondContact N-O 3.06Å; C908-F995 PolarHBondContact O-N 3.12Å; C908-Y997 VanDerWaalsContact SG-CE1 3.59Å
909I90.6Very high80.7Confident34 Ų3442.8 Ų42.817%0.17424%0.237CC..EExtended strand (participates in β ladder)trans-121.6131.7173.3-53.7172.2000106.7R888 F889 T907 E992 S993 E994R888-I909 WeakPolarHBondContact CA-O 3.42Å; F889-I909 HydrophobicContact CB-CB 4.37Å; F889-I909 PolarHBondContact N-O 2.53Å; F889-I909 PolarHBondContact O-N 3.34Å; T907-I909 HydrophobicContact CG2-CG1 4.01Å; I909-E992 HydrophobicContact CG2-CB 4.29Å; I909-S993 CarbonylContact C-O 3.51Å; I909-S993 WeakPolarHBondContact CA-O 3.11Å; I909-E994 HydrophobicContact CB-CB 4.44Å; I909-E994 HydrophobicContact CG1-CB 3.87Å
910F90.7Very high82Confident0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-118.7126.2173.3-63.1-95.5000107.4F886 D887 R888 C908 F931 E992 S993 F995 W1017 A1019 F1021F886-F910 HydrophobicContact CD2-CB 4.36Å; F886-F910 AromaticContact CD2-CD1 3.67Å; F886-F910 HydrophobicContact CD2-CD1 3.67Å; F886-F910 AromaticContact CE2-CD1 3.51Å; F886-F910 HydrophobicContact CE2-CD1 3.51Å; F886-F910 AromaticContact CE2-CE1 4Å; F886-F910 HydrophobicContact CE2-CE1 4Å; D887-F910 CarbonylContact O-C 3.5Å; D887-F910 VanDerWaalsContact O-CA 3.29Å; D887-F910 WeakPolarHBondContact O-CA 3.21Å; R888-F910 HydrophobicContact CB-CD1 4.25Å; R888-F910 HydrophobicContact CB-CE1 4.19Å; R888-F910 HydrophobicContact CG-CD1 4.31Å; R888-F910 HydrophobicContact CG-CE1 3.86Å; R888-F910 HydrophobicContact CG-CZ 4.24Å; C908-F910 HydrophobicContact CB-CD2 4.42Å; C908-F910 HydrophobicContact CB-CE2 3.69Å; C908-F910 HydrophobicContact CB-CZ 4.42Å; F910-F931 HydrophobicContact CB-CE2 3.8Å; F910-F931 HydrophobicContact CB-CZ 4.18Å; F910-F931 HydrophobicContact CD2-CE1 4.4Å; F910-F931 AromaticContact CD2-CE2 3.89Å; F910-F931 HydrophobicContact CD2-CE2 3.89Å; F910-F931 AromaticContact CD2-CZ 3.38Å; F910-F931 HydrophobicContact CD2-CZ 3.38Å; F910-F931 AromaticContact CE2-CZ 3.87Å; F910-F931 HydrophobicContact CE2-CZ 3.87Å; F910-F931 AromaticContact CG-CE2 3.82Å; F910-F931 HydrophobicContact CG-CE2 3.82Å; F910-F931 AromaticContact CG-CZ 3.81Å; F910-F931 HydrophobicContact CG-CZ 3.81Å; F910-E992 CarbonylContact O-C 3.59Å; F910-E992 WeakPolarHBondContact O-CA 3.33Å; F910-S993 PolarHBondContact N-O 3.02Å; F910-S993 PolarHBondContact O-N 2.9Å; F910-F995 HydrophobicContact CD2-CE1 4.39Å; F910-F995 HydrophobicContact CE2-CD1 4.38Å; F910-F995 AromaticContact CE2-CE1 3.59Å; F910-F995 HydrophobicContact CE2-CE1 3.59Å; F910-F995 HydrophobicContact CE2-CZ 4.33Å; F910-F995 HydrophobicContact CZ-CE1 4.44Å; F910-W1017 HydrophobicContact CZ-CB 4.25Å; F910-A1019 HydrophobicContact CD1-CB 3.76Å; F910-A1019 HydrophobicContact CD2-CB 4.38Å; F910-A1019 HydrophobicContact CE1-CB 3.4Å; F910-A1019 VanDerWaalsContact CE1-CB 3.4Å; F910-A1019 HydrophobicContact CE2-CB 4.09Å; F910-A1019 HydrophobicContact CG-CB 4.22Å; F910-A1019 HydrophobicContact CZ-CB 3.59Å; F910-F1021 HydrophobicContact CB-CE2 3.82Å; F910-F1021 HydrophobicContact CB-CZ 4.02Å
911S91.9Very high83.4Confident13 Ų1341.2 Ų41.29%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-137.5144.2-173.260.30000112.1F886 D887 I991F886-S911 CarbonylContact C-O 3.53Å; F886-S911 WeakPolarHBondContact CA-O 3.4Å; F886-S911 WeakPolarHBondContact CB-O 3.41Å; D887-S911 PolarHBondContact N-O 2.84Å; D887-S911 PolarHBondContact O-N 3.02Å; S911-I991 VanDerWaalsContact CA-O 3.24Å; S911-I991 WeakPolarHBondContact CA-O 3.42Å
912F92.3Very high84.8Confident7 Ų731.1 Ų31.13%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-148.2158.7167.368.3-83000109.8V881 K884 A885 F886 I914 I991 F1021V881-F912 HydrophobicContact CB-CE2 4.16Å; V881-F912 HydrophobicContact CB-CZ 3.75Å; V881-F912 HydrophobicContact CG1-CE2 3.84Å; V881-F912 HydrophobicContact CG1-CZ 3.68Å; V881-F912 HydrophobicContact CG2-CZ 4.48Å; K884-F912 HydrophobicContact CB-CD2 4.07Å; K884-F912 HydrophobicContact CB-CE2 4.41Å; K884-F912 HydrophobicContact CB-CG 4.4Å; K884-F912 HydrophobicContact CG-CD2 4.23Å; K884-F912 HydrophobicContact CG-CE2 4.31Å; A885-F912 WeakPolarHBondContact O-CB 3.33Å; F886-F912 HydrophobicContact CB-CB 4.04Å; F886-F912 HydrophobicContact CB-CD1 4.38Å; F912-I914 HydrophobicContact CD2-CG1 4.25Å; F912-I914 HydrophobicContact CE2-CD1 4Å; F912-I914 HydrophobicContact CE2-CG1 3.9Å; F912-I991 HydrophobicContact CD1-CB 4.48Å; F912-I991 HydrophobicContact CE1-CB 3.97Å; F912-I991 HydrophobicContact CE1-CD1 4.4Å; F912-I991 HydrophobicContact CE1-CG2 3.93Å; F912-I991 HydrophobicContact CE2-CD1 3.84Å; F912-I991 HydrophobicContact CZ-CB 4Å; F912-I991 HydrophobicContact CZ-CD1 3.58Å; F912-I991 HydrophobicContact CZ-CG1 4.38Å; F912-I991 HydrophobicContact CZ-CG2 4.16Å; F912-I991 PolarHBondContact N-O 2.83Å; F912-I991 VanDerWaalsContact N-O 3.14Å; F912-I991 PolarHBondContact O-N 2.79Å; F912-F1021 HydrophobicContact CD1-CD1 4.48Å; F912-F1021 AromaticContact CD1-CD2 3.78Å; F912-F1021 HydrophobicContact CD1-CD2 3.78Å; F912-F1021 HydrophobicContact CD1-CE1 4.42Å; F912-F1021 AromaticContact CD1-CE2 3.71Å; F912-F1021 HydrophobicContact CD1-CE2 3.71Å; F912-F1021 HydrophobicContact CD1-CG 4.16Å; F912-F1021 HydrophobicContact CD1-CZ 4.04Å; F912-F1021 HydrophobicContact CE1-CB 4.25Å; F912-F1021 AromaticContact CE1-CD1 3.69Å; F912-F1021 HydrophobicContact CE1-CD1 3.69Å; F912-F1021 AromaticContact CE1-CD2 3.71Å; F912-F1021 HydrophobicContact CE1-CD2 3.71Å; F912-F1021 AromaticContact CE1-CE1 3.85Å; F912-F1021 HydrophobicContact CE1-CE1 3.85Å; F912-F1021 AromaticContact CE1-CE2 3.88Å; F912-F1021 HydrophobicContact CE1-CE2 3.88Å; F912-F1021 AromaticContact CE1-CG 3.6Å; F912-F1021 HydrophobicContact CE1-CG 3.6Å; F912-F1021 AromaticContact CE1-CZ 3.94Å; F912-F1021 HydrophobicContact CE1-CZ 3.94Å
913D92.6Very high86.1Confident91 Ų9129.3 Ų29.349%0.48717%0.167SC..EExtended strand (participates in β ladder)trans-113.3142.8-176.8-65-21.4000111.3T988 L989 S990D913-T988 HydrophobicContact CB-CG2 3.77Å; D913-L989 CarbonylContact C-O 3.47Å; D913-L989 WeakPolarHBondContact CA-O 3.3Å; D913-S990 WeakPolarHBondContact OD1-CA 3.49Å; D913-S990 WeakPolarHBondContact OD1-CB 3.46Å; D913-S990 PolarHBondContact OD1-OG 2.85Å
914I91.9Very high87Confident1 Ų127.5 Ų27.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-116.1119.9167-57.5176.8000107.7V879 V881 F912 I916 L989 I991 V1025 Y1075V879-I914 HydrophobicContact CG1-CD1 4.27Å; V881-I914 HydrophobicContact CG1-CD1 4.25Å; F912-I914 HydrophobicContact CD2-CG1 4.25Å; F912-I914 HydrophobicContact CE2-CD1 4Å; F912-I914 HydrophobicContact CE2-CG1 3.9Å; I914-I916 HydrophobicContact CG2-CG1 3.96Å; I914-L989 HydrophobicContact CB-CB 4.39Å; I914-L989 PolarHBondContact N-O 3.21Å; I914-L989 PolarHBondContact O-N 3.04Å; I914-I991 HydrophobicContact CD1-CD1 4.22Å; I914-V1025 HydrophobicContact CD1-CB 4.35Å; I914-V1025 HydrophobicContact CD1-CG2 3.85Å; I914-Y1075 HydrophobicContact CG2-CD2 3.78Å; I914-Y1075 HydrophobicContact CG2-CE2 4.34Å
915L92.1Very high87.8Confident65 Ų6528.8 Ų28.834%0.3416%0.163SC..EExtended strand (participates in β ladder)trans-78.4129171.3-62.5167.3000108.9T988 D1073 R1074 Y1075L915-T988 HydrophobicContact CD2-CG2 4.19Å; L915-T988 WeakPolarHBondContact CD2-OG1 3.32Å; L915-D1073 HydrophobicContact CD1-CB 3.95Å; L915-R1074 HydrophobicContact CB-CB 4.49Å; L915-R1074 HydrophobicContact CB-CG 3.88Å; L915-R1074 CarbonylContact O-C 3.49Å; L915-R1074 WeakPolarHBondContact O-CA 3.41Å; L915-Y1075 PolarHBondContact O-N 3.09Å
916I92.4Very high88.1Confident1 Ų126.7 Ų26.71%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-125.7128-175-59.6177.7000108.9I914 A918 I924 F981 F987 L989 F1027 Y1075I914-I916 HydrophobicContact CG2-CG1 3.96Å; I916-A918 HydrophobicContact CG2-CB 4Å; I916-I924 HydrophobicContact CD1-CG2 4.46Å; I916-F981 HydrophobicContact CD1-CZ 4.2Å; I916-F981 HydrophobicContact CG2-CZ 4.09Å; I916-F987 PolarHBondContact N-O 3.06Å; I916-F987 PolarHBondContact O-N 2.96Å; I916-L989 HydrophobicContact CD1-CB 3.7Å; I916-L989 HydrophobicContact CD1-CD2 3.94Å; I916-L989 HydrophobicContact CD1-CG 4.42Å; I916-L989 HydrophobicContact CG1-CB 4.46Å; I916-F1027 HydrophobicContact CD1-CE1 3.92Å; I916-F1027 HydrophobicContact CD1-CZ 3.88Å; I916-F1027 HydrophobicContact CG1-CE1 4.02Å; I916-F1027 HydrophobicContact CG1-CZ 4.02Å; I916-F1027 HydrophobicContact CG2-CE1 3.92Å; I916-Y1075 CarbonylContact C-O 3.55Å; I916-Y1075 VanDerWaalsContact CA-O 3.29Å; I916-Y1075 WeakPolarHBondContact CA-O 3.24Å
917S87.9Confident88.2Confident43 Ų4328.8 Ų28.830%0.30116%0.163SC..EExtended strand (participates in β ladder)trans-95.297.7162.6-177.80000107Y1075S917-Y1075 PolarHBondContact N-O 2.95Å
918A86Confident88.2Confident4 Ų430.3 Ų30.33%0.03318%0.175CC..EExtended strand (participates in β ladder)trans-91.1143.7-172.300000112.1I916 F981 D984 G985 F987I916-A918 HydrophobicContact CG2-CB 4Å; A918-F981 HydrophobicContact CB-CB 4.16Å; A918-F981 HydrophobicContact CB-CD1 3.32Å; A918-F981 HydrophobicContact CB-CD2 3.9Å; A918-F981 HydrophobicContact CB-CE1 3.51Å; A918-F981 HydrophobicContact CB-CE2 4.1Å; A918-F981 HydrophobicContact CB-CG 3.53Å; A918-F981 HydrophobicContact CB-CZ 3.91Å; A918-D984 WeakPolarHBondContact O-CA 3.44Å; A918-G985 PolarHBondContact N-O 3.26Å; A918-G985 PolarHBondContact O-N 3.39Å; A918-F987 HydrophobicContact CB-CD2 3.74Å; A918-F987 HydrophobicContact CB-CE2 3.96Å
919I80Confident88.2Confident30 Ų3030.6 Ų30.615%0.15418%0.176CC..PPolyproline II helixtrans-102.4140.7165.9-50.7176.3000108.2G921 Q922 D984 Y1029 Y1066 F1077I919-G921 PolarHBondContact O-N 2.76Å; I919-Q922 VanDerWaalsContact N-OE1 3.15Å; I919-Q922 WeakPolarHBondContact O-CB 3.46Å; I919-Q922 PolarHBondContact O-N 2.98Å; I919-D984 WeakPolarHBondContact CA-OD1 3.21Å; I919-Y1029 HydrophobicContact CB-CE2 4.41Å; I919-Y1029 HydrophobicContact CG2-CE2 4Å; I919-Y1066 HydrophobicContact CD1-CD1 3.82Å; I919-Y1066 HydrophobicContact CD1-CE1 3.4Å; I919-F1077 HydrophobicContact CD1-CB 3.94Å
920K80.7Confident88Confident138 Ų13829.6 Ų29.660%0.618%0.175SC*.THydrogen-bonded Turntrans-53.4129173.5-179.5176.3-178.1-177.40110.2Q922 E982 D984K920-Q922 VanDerWaalsContact C-N 3.29Å; K920-Q922 PolarHBondContact O-N 3.05Å; K920-E982 WeakPolarHBondContact CE-O 3.27Å; K920-E982 WeakPolarHBondContact CG-O 3.46Å; K920-D984 WeakPolarHBondContact CB-OD1 3.29Å; K920-D984 PolarHBondContact N-OD1 3.47Å
921G80Confident88Confident37 Ų3730 Ų3038%0.38118%0.176SC..THydrogen-bonded Turntrans85.1-10.4-174.600000114.9I919 T923 F981I919-G921 PolarHBondContact O-N 2.76Å; G921-T923 PolarHBondContact O-N 3.11Å; G921-F981 PolarHBondContact N-O 2.99Å
922Q87.5Confident87.8Confident0 Ų034.9 Ų34.90%020%0.201CC..  trans-59.2136.6166.6-176.2-176.7-45.500109.2I919 K920 T980 F981 F1027 Y1029 F1077I919-Q922 VanDerWaalsContact N-OE1 3.15Å; I919-Q922 WeakPolarHBondContact O-CB 3.46Å; I919-Q922 PolarHBondContact O-N 2.98Å; K920-Q922 VanDerWaalsContact C-N 3.29Å; K920-Q922 PolarHBondContact O-N 3.05Å; Q922-T980 CarbonylContact O-C 3.54Å; Q922-T980 VanDerWaalsContact O-CA 3.31Å; Q922-T980 WeakPolarHBondContact O-CA 3.34Å; Q922-F981 HydrophobicContact CB-CD2 4.36Å; Q922-F981 WeakPolarHBondContact O-CD2 3.27Å; Q922-F981 PolarHBondContact O-N 3.18Å; Q922-F1027 VanDerWaalsContact NE2-CD1 3.28Å; Q922-Y1029 HydrophobicContact CB-CD2 4.19Å; Q922-F1077 HydrophobicContact CG-CD2 4.22Å; Q922-F1077 HydrophobicContact CG-CE2 4.11Å
923T89.5Confident87.6Confident30 Ų3037 Ų3718%0.18421%0.211CC..EExtended strand (participates in β ladder)trans-116.5133.8177.7-59.90000109.4G921 Y979 T980 L1028G921-T923 PolarHBondContact O-N 3.11Å; T923-Y979 CarbonylContact C-O 3.52Å; T923-Y979 VanDerWaalsContact CA-O 3.28Å; T923-Y979 WeakPolarHBondContact CA-O 3.5Å; T923-T980 PolarHBondContact OG1-OG1 3.44Å; T923-L1028 PolarHBondContact N-O 2.72Å; T923-L1028 PolarHBondContact O-N 3.34Å
924I91.4Very high87.3Confident0 Ų038.5 Ų38.50%022%0.215CC..EExtended strand (participates in β ladder)trans-101.9135.4167.551.8174000109.2I916 L926 I967 T978 Y979 F981 L989 V1025 E1026 F1027I916-I924 HydrophobicContact CD1-CG2 4.46Å; I924-L926 HydrophobicContact CD1-CD1 4.04Å; I924-L926 HydrophobicContact CG1-CD1 4.18Å; I924-I967 HydrophobicContact CD1-CD1 4.19Å; I924-T978 CarbonylContact O-C 3.29Å; I924-T978 WeakPolarHBondContact O-CA 3.47Å; I924-Y979 HydrophobicContact CD1-CD1 4.47Å; I924-Y979 HydrophobicContact CG1-CD1 4.49Å; I924-Y979 WeakPolarHBondContact CG1-O 3.46Å; I924-Y979 PolarHBondContact N-O 2.78Å; I924-Y979 PolarHBondContact O-N 2.96Å; I924-F981 HydrophobicContact CD1-CE2 4.09Å; I924-F981 HydrophobicContact CD1-CZ 4.23Å; I924-F981 HydrophobicContact CG1-CE2 4.08Å; I924-F981 HydrophobicContact CG2-CE2 3.95Å; I924-L989 HydrophobicContact CD1-CD1 3.93Å; I924-L989 HydrophobicContact CD1-CD2 3.93Å; I924-V1025 HydrophobicContact CB-CG1 4.31Å; I924-V1025 HydrophobicContact CG2-CG1 4.43Å; I924-E1026 CarbonylContact C-O 3.57Å; I924-E1026 VanDerWaalsContact CA-O 3.3Å; I924-E1026 WeakPolarHBondContact CA-O 2.95Å; I924-F1027 HydrophobicContact CG2-CD1 3.87Å; I924-F1027 HydrophobicContact CG2-CE1 3.79Å; I924-F1027 HydrophobicContact CG2-CG 4.3Å; I924-F1027 HydrophobicContact CG2-CZ 4.16Å
925D90.1Very high86.9Confident41 Ų4140.3 Ų40.322%0.21923%0.225CC..EExtended strand (participates in β ladder)trans-114.9118.4173.9-175.8-3.1000109.4T927 T978 E1026D925-T927 WeakPolarHBondContact OD1-CB 3.42Å; D925-T927 PolarHBondContact OD1-N 2.74Å; D925-T927 PolarHBondContact OD1-OG1 3.42Å; D925-T978 HydrophobicContact CB-CG2 3.96Å; D925-E1026 HydrophobicContact CB-CB 4.22Å; D925-E1026 PolarHBondContact N-O 3.33Å; D925-E1026 PolarHBondContact O-N 2.84Å
926L88.7Confident86.4Confident0 Ų039.2 Ų39.20%022%0.219CC..  trans-110.118.1-178-56.8115.7000111.3I924 S928 L929 I955 I977 L989 I991 V1025I924-L926 HydrophobicContact CD1-CD1 4.04Å; I924-L926 HydrophobicContact CG1-CD1 4.18Å; L926-S928 VanDerWaalsContact C-N 3.34Å; L926-S928 PolarHBondContact O-N 3.13Å; L926-L929 HydrophobicContact CD2-CD1 4.22Å; L926-L929 WeakPolarHBondContact O-CB 3.35Å; L926-L929 PolarHBondContact O-N 3.12Å; L926-I955 HydrophobicContact CB-CD1 4.24Å; L926-I955 HydrophobicContact CD1-CD1 4.27Å; L926-I955 HydrophobicContact CD2-CD1 4.09Å; L926-I955 HydrophobicContact CG-CD1 4.42Å; L926-I977 HydrophobicContact CB-CB 4.36Å; L926-I977 HydrophobicContact CB-CG2 4.47Å; L926-I977 HydrophobicContact CD1-CG2 3.97Å; L926-I977 PolarHBondContact N-O 3.12Å; L926-L989 HydrophobicContact CD2-CD2 3.82Å; L926-I991 HydrophobicContact CD2-CD1 3.96Å; L926-I991 HydrophobicContact CD2-CG1 4.42Å; L926-V1025 HydrophobicContact CD2-CG1 4.07Å; L926-V1025 HydrophobicContact CD2-CG2 3.72Å; L926-V1025 HydrophobicContact CG-CG1 4.21Å; L926-V1025 HydrophobicContact CG-CG2 4.42Å
927T83.5Confident85.6Confident43 Ų4343.9 Ų43.926%0.26425%0.251SS..THydrogen-bonded Turntrans-66.9-34.9-176-59.10000112D925 L929 T976 I977D925-T927 WeakPolarHBondContact OD1-CB 3.42Å; D925-T927 PolarHBondContact OD1-N 2.74Å; D925-T927 PolarHBondContact OD1-OG1 3.42Å; T927-L929 PolarHBondContact O-N 2.78Å; T927-T976 HydrophobicContact CG2-CG2 4.32Å; T927-T976 WeakPolarHBondContact OG1-CA 3.35Å; T927-T976 WeakPolarHBondContact OG1-CG2 3.35Å; T927-I977 PolarHBondContact OG1-N 3.32Å
928S85.1Confident85Confident58 Ų5846.3 Ų46.341%0.40627%0.268SS..THydrogen-bonded Turntrans-75.2-5.1177.8600000113.5L926 G930 G1023 S1024L926-S928 VanDerWaalsContact C-N 3.34Å; L926-S928 PolarHBondContact O-N 3.13Å; S928-G930 PolarHBondContact O-N 2.86Å; S928-G1023 WeakPolarHBondContact O-CA 3.34Å; S928-S1024 PolarHBondContact OG-N 3.43Å; S928-S1024 PolarHBondContact OG-O 2.62Å; S928-S1024 PolarHBondContact OG-OG 3.41Å
929L87.4Confident84.4Confident6 Ų647.1 Ų47.13%0.03127%0.273CS..  trans-72.3113.6-174.1-149.7127.2000111.6V881 L926 T927 I991 F1021 V1025V881-L929 HydrophobicContact CG1-CD1 4.2Å; V881-L929 HydrophobicContact CG2-CD1 4.23Å; V881-L929 HydrophobicContact CG2-CG 4.35Å; L926-L929 HydrophobicContact CD2-CD1 4.22Å; L926-L929 WeakPolarHBondContact O-CB 3.35Å; L926-L929 PolarHBondContact O-N 3.12Å; T927-L929 PolarHBondContact O-N 2.78Å; L929-I991 HydrophobicContact CD1-CD1 3.88Å; L929-I991 HydrophobicContact CD2-CG2 3.78Å; L929-F1021 HydrophobicContact CD2-CD1 4.2Å; L929-F1021 HydrophobicContact CD2-CE1 4.48Å; L929-V1025 HydrophobicContact CD1-CG2 3.69Å
930G86.3Confident83.9Confident13 Ų1351.2 Ų51.213%0.13431%0.305CS..EExtended strand (participates in β ladder)trans-107.4157.117700000112S928 F1021 S1022S928-G930 PolarHBondContact O-N 2.86Å; G930-F1021 WeakPolarHBondContact O-CA 3.37Å; G930-S1022 WeakPolarHBondContact CA-OG 3.34Å; G930-S1022 PolarHBondContact N-O 2.95Å; G930-S1022 PolarHBondContact O-N 3.11Å
931F91Very high83.8Confident8 Ų850.3 Ų50.34%0.03530%0.297CS..EExtended strand (participates in β ladder)trans-145.3115.8171.5175.2-96000108.3F910 F933 A951 I973 S993 F995 A1019 F1021F910-F931 HydrophobicContact CB-CE2 3.8Å; F910-F931 HydrophobicContact CB-CZ 4.18Å; F910-F931 HydrophobicContact CD2-CE1 4.4Å; F910-F931 AromaticContact CD2-CE2 3.89Å; F910-F931 HydrophobicContact CD2-CE2 3.89Å; F910-F931 AromaticContact CD2-CZ 3.38Å; F910-F931 HydrophobicContact CD2-CZ 3.38Å; F910-F931 AromaticContact CE2-CZ 3.87Å; F910-F931 HydrophobicContact CE2-CZ 3.87Å; F910-F931 AromaticContact CG-CE2 3.82Å; F910-F931 HydrophobicContact CG-CE2 3.82Å; F910-F931 AromaticContact CG-CZ 3.81Å; F910-F931 HydrophobicContact CG-CZ 3.81Å; F931-F933 HydrophobicContact CD1-CD1 4.02Å; F931-F933 HydrophobicContact CE1-CB 3.91Å; F931-F933 AromaticContact CE1-CD1 3.58Å; F931-F933 HydrophobicContact CE1-CD1 3.58Å; F931-F933 HydrophobicContact CE1-CE1 4.49Å; F931-F933 HydrophobicContact CE1-CG 4.02Å; F931-F933 HydrophobicContact CZ-CB 4.14Å; F931-A951 HydrophobicContact CD1-CB 3.67Å; F931-A951 HydrophobicContact CE1-CB 3.91Å; F931-I973 HydrophobicContact CB-CD1 3.81Å; F931-I973 HydrophobicContact CD1-CD1 4.09Å; F931-I973 HydrophobicContact CG-CD1 4.45Å; F931-I973 WeakPolarHBondContact O-CD1 3.3Å; F931-S993 VanDerWaalsContact CD1-OG 3.24Å; F931-S993 WeakPolarHBondContact CD1-OG 3.33Å; F931-S993 WeakPolarHBondContact CG-OG 3.41Å; F931-F995 HydrophobicContact CE1-CD1 4.13Å; F931-F995 HydrophobicContact CE1-CE1 4.37Å; F931-A1019 HydrophobicContact CE2-CB 3.78Å; F931-A1019 HydrophobicContact CZ-CB 3.73Å; F931-F1021 HydrophobicContact CB-CD1 4.2Å; F931-F1021 HydrophobicContact CB-CE1 4.24Å; F931-F1021 AromaticContact CD2-CD1 3.8Å; F931-F1021 HydrophobicContact CD2-CD1 3.8Å; F931-F1021 HydrophobicContact CD2-CD2 4.16Å; F931-F1021 AromaticContact CD2-CE1 3.62Å; F931-F1021 HydrophobicContact CD2-CE1 3.62Å; F931-F1021 AromaticContact CD2-CE2 3.99Å; F931-F1021 HydrophobicContact CD2-CE2 3.99Å; F931-F1021 HydrophobicContact CD2-CG 4.09Å; F931-F1021 AromaticContact CD2-CZ 3.72Å; F931-F1021 HydrophobicContact CD2-CZ 3.72Å; F931-F1021 HydrophobicContact CE2-CD2 4.48Å; F931-F1021 HydrophobicContact CE2-CE1 4.41Å; F931-F1021 HydrophobicContact CE2-CE2 4.09Å; F931-F1021 HydrophobicContact CE2-CZ 4.06Å; F931-F1021 HydrophobicContact CG-CD1 4.48Å; F931-F1021 HydrophobicContact CG-CE1 4.28Å
932D86.7Confident83.5Confident116 Ų11652.6 Ų52.662%0.6230%0.297SS*.EExtended strand (participates in β ladder)trans-111.7139.9176.7-71.1-52.7000109.2A1019 A1020D932-A1019 CarbonylContact O-C 3.54Å; D932-A1019 WeakPolarHBondContact O-CA 3.47Å; D932-A1020 PolarHBondContact N-O 3.04Å; D932-A1020 PolarHBondContact O-N 2.55Å
933F89.7Confident83.1Confident52 Ų5259.3 Ų59.323%0.22833%0.333CS..EExtended strand (participates in β ladder)trans-141.7141.6175.269.6-78.4000110.8F931 V948 G949 A951 F995 W1017 N1018 A1019F931-F933 HydrophobicContact CD1-CD1 4.02Å; F931-F933 HydrophobicContact CE1-CB 3.91Å; F931-F933 AromaticContact CE1-CD1 3.58Å; F931-F933 HydrophobicContact CE1-CD1 3.58Å; F931-F933 HydrophobicContact CE1-CE1 4.49Å; F931-F933 HydrophobicContact CE1-CG 4.02Å; F931-F933 HydrophobicContact CZ-CB 4.14Å; F933-V948 HydrophobicContact CE2-CG1 3.62Å; F933-V948 HydrophobicContact CZ-CG1 4.12Å; F933-G949 WeakPolarHBondContact CZ-O 3.48Å; F933-A951 HydrophobicContact CD1-CB 4Å; F933-A951 HydrophobicContact CE1-CB 3.55Å; F933-A951 HydrophobicContact CZ-CB 4.47Å; F933-F995 HydrophobicContact CB-CE1 4Å; F933-F995 AromaticContact CD1-CD1 3.98Å; F933-F995 HydrophobicContact CD1-CD1 3.98Å; F933-F995 HydrophobicContact CD1-CE1 4.15Å; F933-F995 AromaticContact CD2-CD1 3.78Å; F933-F995 HydrophobicContact CD2-CD1 3.78Å; F933-F995 HydrophobicContact CD2-CD2 4.08Å; F933-F995 AromaticContact CD2-CE1 3.36Å; F933-F995 HydrophobicContact CD2-CE1 3.36Å; F933-F995 AromaticContact CD2-CE2 3.74Å; F933-F995 HydrophobicContact CD2-CE2 3.74Å; F933-F995 HydrophobicContact CD2-CG 4.11Å; F933-F995 AromaticContact CD2-CZ 3.37Å; F933-F995 HydrophobicContact CD2-CZ 3.37Å; F933-F995 HydrophobicContact CE1-CB 4.31Å; F933-F995 HydrophobicContact CE1-CD1 4.03Å; F933-F995 HydrophobicContact CE1-CG 4.15Å; F933-F995 HydrophobicContact CE2-CB 4.43Å; F933-F995 AromaticContact CE2-CD1 3.82Å; F933-F995 HydrophobicContact CE2-CD1 3.82Å; F933-F995 AromaticContact CE2-CD2 3.52Å; F933-F995 HydrophobicContact CE2-CD2 3.52Å; F933-F995 AromaticContact CE2-CE1 3.81Å; F933-F995 HydrophobicContact CE2-CE1 3.81Å; F933-F995 AromaticContact CE2-CE2 3.56Å; F933-F995 HydrophobicContact CE2-CE2 3.56Å; F933-F995 AromaticContact CE2-CG 3.66Å; F933-F995 HydrophobicContact CE2-CG 3.66Å; F933-F995 AromaticContact CE2-CZ 3.71Å; F933-F995 HydrophobicContact CE2-CZ 3.71Å; F933-F995 AromaticContact CG-CD1 3.86Å; F933-F995 HydrophobicContact CG-CD1 3.86Å; F933-F995 AromaticContact CG-CE1 3.55Å; F933-F995 HydrophobicContact CG-CE1 3.55Å; F933-F995 HydrophobicContact CG-CZ 4.05Å; F933-F995 HydrophobicContact CZ-CB 3.98Å; F933-F995 AromaticContact CZ-CD1 3.95Å; F933-F995 HydrophobicContact CZ-CD1 3.95Å; F933-F995 AromaticContact CZ-CD2 3.93Å; F933-F995 HydrophobicContact CZ-CD2 3.93Å; F933-F995 HydrophobicContact CZ-CE1 4.38Å; F933-F995 HydrophobicContact CZ-CE2 4.4Å; F933-F995 AromaticContact CZ-CG 3.69Å; F933-F995 HydrophobicContact CZ-CG 3.69Å; F933-W1017 AromaticContact CD2-CE3 3.68Å; F933-W1017 HydrophobicContact CD2-CE3 3.68Å; F933-W1017 AromaticContact CD2-CZ3 3.8Å; F933-W1017 HydrophobicContact CD2-CZ3 3.8Å; F933-W1017 HydrophobicContact CE2-CE3 4.25Å; F933-W1017 AromaticContact CE2-CZ3 3.93Å; F933-W1017 HydrophobicContact CE2-CZ3 3.93Å; F933-N1018 CarbonylContact C-O 3.53Å; F933-N1018 WeakPolarHBondContact CA-O 3.29Å; F933-A1019 HydrophobicContact CB-CB 4.26Å
934E85.3Confident82.8Confident122 Ų12260.7 Ų60.757%0.5734%0.335SS*.EExtended strand (participates in β ladder)trans-138153.9174.363.5168.3-163.900110.8N936 W1017 N1018E934-N936 PolarHBondContact O-N 3.27Å; E934-W1017 WeakPolarHBondContact O-CA 3.47Å; E934-N1018 HydrophobicContact CG-CB 3.91Å; E934-N1018 PolarHBondContact N-O 2.92Å; E934-N1018 PolarHBondContact O-N 3.48Å; E934-N1018 PolarHBondContact OE1-ND2 3.1Å
935L83.9Confident82.4Confident40 Ų4061.4 Ų61.421%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-75.3121.3174.4-169.772.9000109.3S937 V939 K942 I945 W1017L935-S937 PolarHBondContact O-N 2.64Å; L935-V939 HydrophobicContact CD1-CG2 4.22Å; L935-V939 HydrophobicContact CG-CG2 4.17Å; L935-K942 HydrophobicContact CD2-CB 3.92Å; L935-K942 HydrophobicContact CD2-CD 4.06Å; L935-K942 HydrophobicContact CD2-CG 3.72Å; L935-I945 HydrophobicContact CD1-CD1 3.47Å; L935-I945 VanDerWaalsContact CD1-CD1 3.47Å; L935-I945 HydrophobicContact CD2-CD1 4.07Å; L935-I945 HydrophobicContact CG-CD1 4.44Å; L935-W1017 HydrophobicContact CB-CE3 4.23Å; L935-W1017 HydrophobicContact CB-CH2 4.44Å; L935-W1017 HydrophobicContact CB-CZ3 3.97Å; L935-W1017 HydrophobicContact CD1-CD2 4.09Å; L935-W1017 HydrophobicContact CD1-CE3 4.16Å; L935-W1017 HydrophobicContact CD1-CH2 4.04Å; L935-W1017 HydrophobicContact CD1-CZ2 3.93Å; L935-W1017 HydrophobicContact CD1-CZ3 4.15Å
936N81.5Confident82Confident42 Ų4262 Ų6223%0.22534%0.344CS..  trans-50.4132.1-179.8-174.1-39.3000110.7E934 S938 V939 S1016 N1018E934-N936 PolarHBondContact O-N 3.27Å; N936-S938 VanDerWaalsContact CG-OG 3.32Å; N936-S938 PolarHBondContact O-N 2.86Å; N936-S938 VanDerWaalsContact O-N 3.12Å; N936-S938 WeakPolarHBondContact OD1-CB 3.26Å; N936-S938 PolarHBondContact OD1-N 3.42Å; N936-S938 PolarHBondContact OD1-OG 3.11Å; N936-V939 HydrophobicContact CB-CG2 4.17Å; N936-V939 WeakPolarHBondContact O-CG2 3.23Å; N936-V939 PolarHBondContact O-N 2.95Å; N936-S1016 WeakPolarHBondContact CB-O 3.27Å; N936-S1016 PolarHBondContact N-O 2.86Å; N936-N1018 PolarHBondContact ND2-OD1 3.22Å
937S76.2Confident81.7Confident98 Ų9869.9 Ų69.969%0.68538%0.378SS*.THydrogen-bonded Turntrans-60.5-26.9-174610000113.3L935 V939 K942L935-S937 PolarHBondContact O-N 2.64Å; S937-V939 VanDerWaalsContact C-N 3.33Å; S937-V939 PolarHBondContact O-N 3.13Å; S937-K942 VanDerWaalsContact O-CE 3.27Å; S937-K942 WeakPolarHBondContact O-CE 3.22Å; S937-K942 PolarHBondContact O-NZ 3.29Å
938S74.3Confident81.8Confident94 Ų9471 Ų7166%0.65739%0.385SS*.THydrogen-bonded Turntrans-77.5-6.3-178.3640000115.6N936 S940N936-S938 VanDerWaalsContact CG-OG 3.32Å; N936-S938 PolarHBondContact O-N 2.86Å; N936-S938 VanDerWaalsContact O-N 3.12Å; N936-S938 WeakPolarHBondContact OD1-CB 3.26Å; N936-S938 PolarHBondContact OD1-N 3.42Å; N936-S938 PolarHBondContact OD1-OG 3.11Å; S938-S940 PolarHBondContact O-N 3.07Å; S938-S940 VanDerWaalsContact O-N 3.13Å
939V74.5Confident81.8Confident21 Ų2169.7 Ų69.713%0.12738%0.38CS..  trans-64.8114.8178.2178.30000109.7L935 N936 S937 R941 K942 S1016L935-V939 HydrophobicContact CD1-CG2 4.22Å; L935-V939 HydrophobicContact CG-CG2 4.17Å; N936-V939 HydrophobicContact CB-CG2 4.17Å; N936-V939 WeakPolarHBondContact O-CG2 3.23Å; N936-V939 PolarHBondContact O-N 2.95Å; S937-V939 VanDerWaalsContact C-N 3.33Å; S937-V939 PolarHBondContact O-N 3.13Å; V939-R941 PolarHBondContact O-N 3.37Å; V939-K942 HydrophobicContact CB-CG 3.98Å; V939-K942 HydrophobicContact CG1-CG 4.05Å; V939-K942 WeakPolarHBondContact O-CE 3.47Å; V939-K942 VanDerWaalsContact O-CG 3.3Å; V939-K942 WeakPolarHBondContact O-CG 3.25Å; V939-S1016 VanDerWaalsContact CG2-CB 3.44Å
940S69.4Low81.7Confident117 Ų11776.8 Ų76.882%0.81842%0.418SS*.THydrogen-bonded Turntrans-72.3-24.7-173.258.50000114.3S938S938-S940 PolarHBondContact O-N 3.07Å; S938-S940 VanDerWaalsContact O-N 3.13Å
941R78.2Confident81.8Confident118 Ų11876.6 Ų76.645%0.44542%0.416SS..THydrogen-bonded Turntrans-124.957.6-178.5-59.1-155.6-175.8-167.66.7112.5V939 D943 Y944 Y1012V939-R941 PolarHBondContact O-N 3.37Å; R941-D943 PolarHBondContact O-N 2.88Å; R941-Y944 HydrophobicContact CB-CD2 3.69Å; R941-Y944 HydrophobicContact CB-CE2 4.07Å; R941-Y944 HydrophobicContact CB-CG 4.08Å; R941-Y944 HydrophobicContact CG-CD2 4.32Å; R941-Y944 HydrophobicContact CG-CE2 4.21Å; R941-Y944 PolarHBondContact NH1-OH 2.53Å; R941-Y944 WeakPolarHBondContact O-CB 3.31Å; R941-Y944 PolarHBondContact O-N 2.65Å; R941-Y1012 HydrophobicContact CB-CD1 4.32Å; R941-Y1012 HydrophobicContact CB-CE1 4.12Å; R941-Y1012 HydrophobicContact CG-CE1 4.36Å
942K74.2Confident81.7Confident85 Ų8577.6 Ų77.637%0.3742%0.422SS..G310 helixtrans-56.1-34.9179.4-60.2-172.6-177.6171.40112.8L935 S937 V939 Y944 I945L935-K942 HydrophobicContact CD2-CB 3.92Å; L935-K942 HydrophobicContact CD2-CD 4.06Å; L935-K942 HydrophobicContact CD2-CG 3.72Å; S937-K942 VanDerWaalsContact O-CE 3.27Å; S937-K942 WeakPolarHBondContact O-CE 3.22Å; S937-K942 PolarHBondContact O-NZ 3.29Å; V939-K942 HydrophobicContact CB-CG 3.98Å; V939-K942 HydrophobicContact CG1-CG 4.05Å; V939-K942 WeakPolarHBondContact O-CE 3.47Å; V939-K942 VanDerWaalsContact O-CG 3.3Å; V939-K942 WeakPolarHBondContact O-CG 3.25Å; K942-Y944 PolarHBondContact O-N 2.89Å; K942-I945 PolarHBondContact O-N 3.24Å
943D78.6Confident81.7Confident142 Ų14272.2 Ų72.276%0.75939%0.393SS*.G310 helixtrans-60-15.9179-42.8-31.8000113.5R941 I945R941-D943 PolarHBondContact O-N 2.88Å; D943-I945 VanDerWaalsContact C-N 3.32Å
944Y82.9Confident81.8Confident58 Ų5869.9 Ų69.923%0.22738%0.384CS..G310 helixtrans-85.1-8.8177.2-67.3-4.1000113.1R941 K942 C999 K1000 Y1012R941-Y944 HydrophobicContact CB-CD2 3.69Å; R941-Y944 HydrophobicContact CB-CE2 4.07Å; R941-Y944 HydrophobicContact CB-CG 4.08Å; R941-Y944 HydrophobicContact CG-CD2 4.32Å; R941-Y944 HydrophobicContact CG-CE2 4.21Å; R941-Y944 PolarHBondContact NH1-OH 2.53Å; R941-Y944 WeakPolarHBondContact O-CB 3.31Å; R941-Y944 PolarHBondContact O-N 2.65Å; K942-Y944 PolarHBondContact O-N 2.89Å; Y944-C999 CarbonylContact O-C 3.56Å; Y944-C999 WeakPolarHBondContact O-CA 3.2Å; Y944-K1000 HydrophobicContact CD1-CD 3.83Å; Y944-K1000 HydrophobicContact CD1-CG 4.49Å; Y944-K1000 HydrophobicContact CD2-CB 4.38Å; Y944-K1000 HydrophobicContact CD2-CD 4.37Å; Y944-K1000 HydrophobicContact CE1-CD 4.07Å; Y944-K1000 HydrophobicContact CG-CB 4.29Å; Y944-K1000 HydrophobicContact CG-CD 4.01Å; Y944-K1000 HydrophobicContact CG-CG 4.31Å; Y944-K1000 PolarHBondContact O-N 2.8Å; Y944-K1000 VanDerWaalsContact O-N 3.11Å; Y944-Y1012 HydrophobicContact CD2-CD1 4.29Å; Y944-Y1012 AromaticContact CD2-CD2 3.64Å; Y944-Y1012 HydrophobicContact CD2-CD2 3.64Å; Y944-Y1012 HydrophobicContact CD2-CE1 4.04Å; Y944-Y1012 AromaticContact CD2-CE2 3.38Å; Y944-Y1012 HydrophobicContact CD2-CE2 3.38Å; Y944-Y1012 HydrophobicContact CD2-CG 4.1Å; Y944-Y1012 AromaticContact CD2-CZ 3.6Å; Y944-Y1012 AromaticContact CE2-CE2 3.87Å; Y944-Y1012 HydrophobicContact CE2-CE2 3.87Å; Y944-Y1012 AromaticContact CE2-CZ 3.86Å; Y944-Y1012 HydrophobicContact CG-CD2 4.37Å; Y944-Y1012 HydrophobicContact CG-CE2 4.46Å
945I82.4Confident82.1Confident16 Ų1664.1 Ų64.18%0.08236%0.356CS..EExtended strand (participates in β ladder)trans-103.8122.1174.1-64.9170.3000107.6L935 K942 D943 V948 Y997 K998 C999 W1017L935-I945 HydrophobicContact CD1-CD1 3.47Å; L935-I945 VanDerWaalsContact CD1-CD1 3.47Å; L935-I945 HydrophobicContact CD2-CD1 4.07Å; L935-I945 HydrophobicContact CG-CD1 4.44Å; K942-I945 PolarHBondContact O-N 3.24Å; D943-I945 VanDerWaalsContact C-N 3.32Å; I945-V948 HydrophobicContact CG2-CG2 3.91Å; I945-Y997 HydrophobicContact CG1-CD2 4.34Å; I945-Y997 HydrophobicContact CG1-CE2 4.26Å; I945-Y997 HydrophobicContact CG2-CD2 3.71Å; I945-Y997 HydrophobicContact CG2-CE2 4.38Å; I945-Y997 HydrophobicContact CG2-CG 4.18Å; I945-K998 CarbonylContact C-O 3.54Å; I945-K998 WeakPolarHBondContact CA-O 3.38Å; I945-C999 HydrophobicContact CG1-CB 4.18Å; I945-W1017 HydrophobicContact CG2-CH2 4.05Å; I945-W1017 HydrophobicContact CG2-CZ2 3.88Å
946T82Confident82.6Confident53 Ų5363.8 Ų63.833%0.32535%0.353SS..EExtended strand (participates in β ladder)trans-139160.5-172.654.50000109.8V948 K998T946-V948 VanDerWaalsContact C-N 3.34Å; T946-V948 PolarHBondContact O-N 2.94Å; T946-K998 PolarHBondContact N-O 2.81Å; T946-K998 WeakPolarHBondContact O-CA 3.23Å; T946-K998 WeakPolarHBondContact O-CB 3.31Å; T946-K998 PolarHBondContact O-N 2.74Å; T946-K998 VanDerWaalsContact O-O 3.06Å; T946-K998 PolarHBondContact OG1-O 2.73Å
947K83.5Confident83.2Confident165 Ų16561.8 Ų61.872%0.71734%0.342SS*.  trans50.449178.1-56-161.4-175.2-170.60113.7G949 K998K947-G949 PolarHBondContact O-N 3.09Å; K947-K998 HydrophobicContact CB-CB 4.47Å; K947-K998 HydrophobicContact CB-CG 4.29Å; K947-K998 HydrophobicContact CD-CD 4.06Å
948V85.2Confident84Confident68 Ų6859.8 Ų59.841%0.41232%0.321SS..  trans-66.3113.1172.1-172.10000107.7F933 I945 T946 F995 W1017F933-V948 HydrophobicContact CE2-CG1 3.62Å; F933-V948 HydrophobicContact CZ-CG1 4.12Å; I945-V948 HydrophobicContact CG2-CG2 3.91Å; T946-V948 VanDerWaalsContact C-N 3.34Å; T946-V948 PolarHBondContact O-N 2.94Å; V948-F995 HydrophobicContact CG1-CD2 4.36Å; V948-W1017 HydrophobicContact CB-CH2 4.39Å; V948-W1017 HydrophobicContact CG1-CH2 3.7Å; V948-W1017 HydrophobicContact CG1-CZ3 4.05Å; V948-W1017 HydrophobicContact CG2-CH2 3.73Å
949G85Confident84.7Confident30 Ų3059.5 Ų59.531%0.30931%0.308SS..PPolyproline II helixtrans-78.5160.2176.600000111.4F933 K947 S996F933-G949 WeakPolarHBondContact CZ-O 3.48Å; K947-G949 PolarHBondContact O-N 3.09Å; G949-S996 PolarHBondContact N-O 2.74Å
950N86Confident85.2Confident154 Ų15461.2 Ų61.282%0.82433%0.33SS*.PPolyproline II helixtrans-65.5148171.7-62.3-22.1000110.1
951A87.6Confident85.9Confident10 Ų1065.7 Ų65.78%0.08334%0.335CS..PPolyproline II helixtrans-74.6145.1174.200000111.8F931 F933 I973 E994 F995F931-A951 HydrophobicContact CD1-CB 3.67Å; F931-A951 HydrophobicContact CE1-CB 3.91Å; F933-A951 HydrophobicContact CD1-CB 4Å; F933-A951 HydrophobicContact CE1-CB 3.55Å; F933-A951 HydrophobicContact CZ-CB 4.47Å; A951-I973 HydrophobicContact CB-CD1 3.48Å; A951-I973 VanDerWaalsContact CB-CD1 3.48Å; A951-E994 CarbonylContact C-O 3.54Å; A951-E994 VanDerWaalsContact CA-O 3.3Å; A951-E994 WeakPolarHBondContact CA-O 3.32Å; A951-F995 HydrophobicContact CB-CB 4Å
952V88.7Confident86.2Confident28 Ų2867.5 Ų67.517%0.1735%0.348CS..EExtended strand (participates in β ladder)trans-122.4157.4172.9-63.50000109.2R970 M971 S993 E994V952-R970 HydrophobicContact CB-CB 4.48Å; V952-R970 HydrophobicContact CG2-CB 4.09Å; V952-R970 HydrophobicContact CG2-CG 4.34Å; V952-M971 CarbonylContact C-O 3.51Å; V952-M971 WeakPolarHBondContact CA-O 3.49Å; V952-M971 WeakPolarHBondContact CB-O 3.27Å; V952-S993 CarbonylContact O-C 3.59Å; V952-S993 VanDerWaalsContact O-CA 3.26Å; V952-S993 WeakPolarHBondContact O-CA 3.39Å; V952-S993 PolarHBondContact O-OG 2.87Å; V952-E994 HydrophobicContact CG2-CG 3.5Å; V952-E994 PolarHBondContact N-O 2.92Å; V952-E994 PolarHBondContact O-N 3.44Å
953K87.7Confident86.9Confident4 Ų467.6 Ų67.62%0.01735%0.353CS..EExtended strand (participates in β ladder)trans-115.8142.1178.660.6176.4172.1173.40111.9I955 R970 M971 S972 S975 I977 E992K953-I955 HydrophobicContact CD-CD1 4.48Å; K953-R970 CarbonylContact O-C 3.49Å; K953-R970 WeakPolarHBondContact O-CA 3.5Å; K953-R970 PolarHBondContact O-N 3.11Å; K953-R970 VanDerWaalsContact O-N 3.15Å; K953-M971 HydrophobicContact CG-CB 4.34Å; K953-M971 PolarHBondContact N-O 3.33Å; K953-M971 PolarHBondContact O-N 2.92Å; K953-S972 WeakPolarHBondContact CE-O 3.41Å; K953-S975 PolarHBondContact NZ-O 3.24Å; K953-I977 HydrophobicContact CD-CD1 4.1Å; K953-E992 CarbonylContact C-O 3.53Å; K953-E992 WeakPolarHBondContact CA-O 3.31Å
954S91.2Very high87.5Confident3 Ų364.1 Ų64.12%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-125.5137.5168.9-59.60000108S968 R970 E992S954-S968 WeakPolarHBondContact CA-O 3.36Å; S954-R970 PolarHBondContact OG-N 3.45Å; S954-E992 PolarHBondContact N-O 3.31Å; S954-E992 PolarHBondContact O-N 2.8Å
955I92.2Very high87.8Confident0 Ų065.8 Ų65.80%034%0.338CS..EExtended strand (participates in β ladder)trans-131.2125-175.9-56.1173.1000108.2L926 K953 I967 S968 I977 L989 S990 I991L926-I955 HydrophobicContact CB-CD1 4.24Å; L926-I955 HydrophobicContact CD1-CD1 4.27Å; L926-I955 HydrophobicContact CD2-CD1 4.09Å; L926-I955 HydrophobicContact CG-CD1 4.42Å; K953-I955 HydrophobicContact CD-CD1 4.48Å; I955-I967 HydrophobicContact CB-CB 4.2Å; I955-I967 HydrophobicContact CG2-CB 4.1Å; I955-I967 HydrophobicContact CG2-CD1 4.01Å; I955-I967 PolarHBondContact O-N 3Å; I955-S968 WeakPolarHBondContact CB-OG 3.43Å; I955-S968 WeakPolarHBondContact CG1-OG 3.27Å; I955-S968 PolarHBondContact N-O 2.9Å; I955-S968 PolarHBondContact N-OG 3.27Å; I955-S968 PolarHBondContact O-N 3.14Å; I955-I977 HydrophobicContact CD1-CD1 3.86Å; I955-I977 HydrophobicContact CD1-CG2 4.34Å; I955-L989 HydrophobicContact CG2-CD1 3.51Å; I955-L989 HydrophobicContact CG2-CG 4.36Å; I955-S990 WeakPolarHBondContact CA-O 3.39Å; I955-I991 HydrophobicContact CG2-CG1 4.43Å
956Y93.7Very high88.3Confident33 Ų3367.9 Ų67.913%0.12935%0.351CS..EExtended strand (participates in β ladder)trans-124.2140.9-175.8-58.2-74000109.9F958 L963 T966 L989 S990 E992Y956-F958 HydrophobicContact CG-CE2 4.31Å; Y956-L963 HydrophobicContact CD1-CD1 3.83Å; Y956-L963 HydrophobicContact CG-CD1 4.21Å; Y956-T966 HydrophobicContact CD1-CG2 3.96Å; Y956-T966 HydrophobicContact CE1-CG2 3.69Å; Y956-L989 WeakPolarHBondContact O-CA 3.42Å; Y956-S990 PolarHBondContact N-O 3.41Å; Y956-S990 PolarHBondContact O-N 3.3Å; Y956-E992 HydrophobicContact CE2-CG 4.45Å
957L93.7Very high88.6Confident0 Ų066.8 Ų66.80%034%0.343CS..EExtended strand (participates in β ladder)trans-113.2123.7173.7-167.966.6000108.1Y964 K965 I967 Y979 F981 F987 L989L957-Y964 HydrophobicContact CD2-CD1 3.8Å; L957-Y964 HydrophobicContact CD2-CE1 4.29Å; L957-Y964 HydrophobicContact CG-CD1 4.33Å; L957-Y964 WeakPolarHBondContact O-CA 3.11Å; L957-Y964 WeakPolarHBondContact O-CB 3.26Å; L957-Y964 PolarHBondContact O-N 2.83Å; L957-K965 HydrophobicContact CB-CB 4.33Å; L957-K965 PolarHBondContact N-O 2.89Å; L957-K965 PolarHBondContact O-N 2.74Å; L957-I967 HydrophobicContact CB-CD1 4.25Å; L957-Y979 HydrophobicContact CD2-CD1 4.07Å; L957-Y979 HydrophobicContact CD2-CE1 3.41Å; L957-Y979 VanDerWaalsContact CD2-CE1 3.41Å; L957-F981 HydrophobicContact CD1-CE1 3.9Å; L957-F981 HydrophobicContact CD1-CZ 4.06Å; L957-F981 HydrophobicContact CD2-CD1 4.02Å; L957-F981 HydrophobicContact CD2-CE1 3.49Å; L957-F981 VanDerWaalsContact CD2-CE1 3.49Å; L957-F981 HydrophobicContact CD2-CZ 4.14Å; L957-F981 HydrophobicContact CG-CE1 4.28Å; L957-F987 HydrophobicContact CD1-CB 3.66Å; L957-F987 HydrophobicContact CD1-CD1 4.4Å; L957-F987 HydrophobicContact CD1-CG 4.25Å; L957-F987 HydrophobicContact CD2-CD1 4.05Å; L957-F987 HydrophobicContact CD2-CG 4.4Å; L957-F987 HydrophobicContact CG-CB 4.14Å; L957-F987 HydrophobicContact CG-CD1 3.94Å; L957-F987 HydrophobicContact CG-CG 4.28Å; L957-L989 HydrophobicContact CD1-CB 4.26Å; L957-L989 HydrophobicContact CD1-CD1 4.16Å
958F93.7Very high88.8Confident56 Ų5659.2 Ų59.225%0.24631%0.311CS..EExtended strand (participates in β ladder)trans-114.2145.9-179.9-65.3-95.9000110.9Y956 E962 L963 F987 T988Y956-F958 HydrophobicContact CG-CE2 4.31Å; F958-E962 CarbonylContact C-O 3.48Å; F958-E962 WeakPolarHBondContact CA-O 3.22Å; F958-E962 WeakPolarHBondContact CB-O 3.23Å; F958-E962 WeakPolarHBondContact CD1-O 3.33Å; F958-L963 VanDerWaalsContact CD1-CA 3.48Å; F958-L963 HydrophobicContact CD1-CB 4.03Å; F958-L963 HydrophobicContact CD1-CD1 4.23Å; F958-L963 HydrophobicContact CE1-CB 3.76Å; F958-L963 HydrophobicContact CE1-CD1 3.82Å; F958-L963 HydrophobicContact CE1-CG 4.39Å; F958-L963 HydrophobicContact CE2-CD1 4.17Å; F958-L963 HydrophobicContact CZ-CD1 3.78Å; F958-F987 CarbonylContact O-C 3.45Å; F958-F987 WeakPolarHBondContact O-CA 3.22Å; F958-T988 PolarHBondContact N-O 3.03Å; F958-T988 PolarHBondContact O-N 3.15Å
959K87.9Confident89Confident88 Ų8863 Ų6338%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-111.7104167.6-164.9173.9-170.8171.50107.1K961 E962 E983 F987K959-K961 PolarHBondContact O-N 2.57Å; K959-E962 PolarHBondContact N-O 2.93Å; K959-E962 PolarHBondContact O-N 3.29Å; K959-E983 IonicContact NZ-OE1 2.82Å; K959-E983 PolarHBondContact NZ-OE1 2.98Å; K959-E983 IonicContact NZ-OE2 3.41Å; K959-F987 HydrophobicContact CB-CD1 4.2Å; K959-F987 HydrophobicContact CB-CE1 4.19Å; K959-F987 HydrophobicContact CD-CE1 4.16Å; K959-F987 HydrophobicContact CG-CD1 4.49Å; K959-F987 HydrophobicContact CG-CE1 4.27Å
960G86.1Confident89.1Confident58 Ų5868 Ų6860%0.59833%0.331SS*.THydrogen-bonded Turntrans63.1-120-165.400000111.6
961K83.5Confident89Confident210 Ų21063.7 Ų63.791%0.91331%0.307SS*.THydrogen-bonded Turntrans-96.8-6.8177.3-64.9-173.5179.3-179.20113.6K959K959-K961 PolarHBondContact O-N 2.57Å
962E84.3Confident88.7Confident156 Ų15666.9 Ų66.973%0.72933%0.329SS*.EExtended strand (participates in β ladder)trans-89.9135.9-179.3-93.9-172153.400111.6F958 K959 Y964F958-E962 CarbonylContact C-O 3.48Å; F958-E962 WeakPolarHBondContact CA-O 3.22Å; F958-E962 WeakPolarHBondContact CB-O 3.23Å; F958-E962 WeakPolarHBondContact CD1-O 3.33Å; K959-E962 PolarHBondContact N-O 2.93Å; K959-E962 PolarHBondContact O-N 3.29Å; E962-Y964 PolarHBondContact O-N 3Å; E962-Y964 VanDerWaalsContact O-N 3.15Å
963L89.5Confident88.2Confident88 Ų8868.4 Ų68.446%0.46134%0.336SS..EExtended strand (participates in β ladder)trans-70.1108173179.367.6000109Y956 F958Y956-L963 HydrophobicContact CD1-CD1 3.83Å; Y956-L963 HydrophobicContact CG-CD1 4.21Å; F958-L963 VanDerWaalsContact CD1-CA 3.48Å; F958-L963 HydrophobicContact CD1-CB 4.03Å; F958-L963 HydrophobicContact CD1-CD1 4.23Å; F958-L963 HydrophobicContact CE1-CB 3.76Å; F958-L963 HydrophobicContact CE1-CD1 3.82Å; F958-L963 HydrophobicContact CE1-CG 4.39Å; F958-L963 HydrophobicContact CE2-CD1 4.17Å; F958-L963 HydrophobicContact CZ-CD1 3.78Å
964Y90.2Very high87.4Confident68 Ų6870.8 Ų70.827%0.26736%0.361SS..EExtended strand (participates in β ladder)trans-79.2-46.3178.6179-101.7000111.3L957 E962 E983 F987L957-Y964 HydrophobicContact CD2-CD1 3.8Å; L957-Y964 HydrophobicContact CD2-CE1 4.29Å; L957-Y964 HydrophobicContact CG-CD1 4.33Å; L957-Y964 WeakPolarHBondContact O-CA 3.11Å; L957-Y964 WeakPolarHBondContact O-CB 3.26Å; L957-Y964 PolarHBondContact O-N 2.83Å; E962-Y964 PolarHBondContact O-N 3Å; E962-Y964 VanDerWaalsContact O-N 3.15Å; Y964-E983 HydrophobicContact CE2-CG 4.44Å; Y964-E983 WeakPolarHBondContact CE2-OE1 3.37Å; Y964-E983 WeakPolarHBondContact OH-CG 3.35Å; Y964-F987 HydrophobicContact CD1-CD1 4.21Å; Y964-F987 AromaticContact CD1-CE1 3.68Å; Y964-F987 HydrophobicContact CD1-CE1 3.68Å; Y964-F987 HydrophobicContact CD2-CE1 4.05Å; Y964-F987 AromaticContact CE1-CE1 3.87Å; Y964-F987 HydrophobicContact CE1-CE1 3.87Å; Y964-F987 HydrophobicContact CE1-CZ 4.37Å; Y964-F987 HydrophobicContact CE2-CE1 4.23Å; Y964-F987 HydrophobicContact CG-CD1 4.32Å; Y964-F987 AromaticContact CG-CE1 3.77Å; Y964-F987 HydrophobicContact CG-CE1 3.77Å
965K90.8Very high86.8Confident93 Ų9372.7 Ų72.740%0.40437%0.374SS..EExtended strand (participates in β ladder)trans-152.4140.1178.8-162.374.7172.6-157.60112.2L957 Y979L957-K965 HydrophobicContact CB-CB 4.33Å; L957-K965 PolarHBondContact N-O 2.89Å; L957-K965 PolarHBondContact O-N 2.74Å; K965-Y979 HydrophobicContact CG-CE2 4.11Å
966T91.5Very high86Confident60 Ų6078.1 Ų78.137%0.36841%0.407SS..EExtended strand (participates in β ladder)trans-89.4109.9162.1-59.90000108.4Y956 K969Y956-T966 HydrophobicContact CD1-CG2 3.96Å; Y956-T966 HydrophobicContact CE1-CG2 3.69Å; T966-K969 HydrophobicContact CG2-CB 4.08Å
967I88.2Confident85.5Confident31 Ų3177 Ų7716%0.15940%0.404CS..EExtended strand (participates in β ladder)trans-77-43179.6-62.1175.9000109.6I924 I955 L957 I977 Y979 L989I924-I967 HydrophobicContact CD1-CD1 4.19Å; I955-I967 HydrophobicContact CB-CB 4.2Å; I955-I967 HydrophobicContact CG2-CB 4.1Å; I955-I967 HydrophobicContact CG2-CD1 4.01Å; I955-I967 PolarHBondContact O-N 3Å; L957-I967 HydrophobicContact CB-CD1 4.25Å; I967-I977 HydrophobicContact CG2-CG2 3.62Å; I967-Y979 HydrophobicContact CD1-CD1 3.97Å; I967-Y979 HydrophobicContact CD1-CD2 4.47Å; I967-Y979 HydrophobicContact CD1-CG 3.81Å; I967-Y979 HydrophobicContact CG1-CD1 4.46Å; I967-Y979 HydrophobicContact CG1-CD2 4.15Å; I967-Y979 HydrophobicContact CG1-CG 3.99Å; I967-L989 HydrophobicContact CD1-CD1 3.78Å
968S87.1Confident85.3Confident5 Ų580.8 Ų80.84%0.03543%0.427CS..EExtended strand (participates in β ladder)trans-150.8154.2174.164.20000111S954 I955S954-S968 WeakPolarHBondContact CA-O 3.36Å; I955-S968 WeakPolarHBondContact CB-OG 3.43Å; I955-S968 WeakPolarHBondContact CG1-OG 3.27Å; I955-S968 PolarHBondContact N-O 2.9Å; I955-S968 PolarHBondContact N-OG 3.27Å; I955-S968 PolarHBondContact O-N 3.14Å
969K90.1Very high85.2Confident149 Ų14979.2 Ų79.265%0.64842%0.42SS*.EExtended strand (participates in β ladder)trans-138.8121.7177.1-171.9171.3-176.7174.20109.5T966 M971T966-K969 HydrophobicContact CG2-CB 4.08Å; K969-M971 VanDerWaalsContact C-N 3.3Å; K969-M971 PolarHBondContact O-N 3.26Å
970R86.4Confident85.4Confident133 Ų13378.2 Ų78.250%0.50242%0.421SS..EExtended strand (participates in β ladder)trans50.542.9178.5-58.1-169.568.6107.2-0.8114.5V952 K953 S954 E994V952-R970 HydrophobicContact CB-CB 4.48Å; V952-R970 HydrophobicContact CG2-CB 4.09Å; V952-R970 HydrophobicContact CG2-CG 4.34Å; K953-R970 CarbonylContact O-C 3.49Å; K953-R970 WeakPolarHBondContact O-CA 3.5Å; K953-R970 PolarHBondContact O-N 3.11Å; K953-R970 VanDerWaalsContact O-N 3.15Å; S954-R970 PolarHBondContact OG-N 3.45Å; R970-E994 WeakPolarHBondContact CD-OE1 3.31Å; R970-E994 VanDerWaalsContact CG-OE1 3.25Å; R970-E994 WeakPolarHBondContact CG-OE1 3.16Å; R970-E994 IonicContact CZ-OE1 2.87Å; R970-E994 IonicContact CZ-OE2 3.11Å; R970-E994 IonicContact NE-OE1 3.84Å; R970-E994 PolarHBondContact NE-OE1 2.78Å; R970-E994 IonicContact NH1-OE1 2.68Å; R970-E994 PolarHBondContact NH1-OE1 2.88Å; R970-E994 IonicContact NH1-OE2 3.2Å; R970-E994 PolarHBondContact NH1-OE2 2.79Å; R970-E994 IonicContact NH2-OE1 3.68Å
971M84.9Confident85.5Confident65 Ų6575.6 Ų75.632%0.3239%0.393SS..EExtended strand (participates in β ladder)trans-85.8152179-162.5176.8-66.500111.5V952 K953 K969 S975 I977V952-M971 CarbonylContact C-O 3.51Å; V952-M971 WeakPolarHBondContact CA-O 3.49Å; V952-M971 WeakPolarHBondContact CB-O 3.27Å; K953-M971 HydrophobicContact CG-CB 4.34Å; K953-M971 PolarHBondContact N-O 3.33Å; K953-M971 PolarHBondContact O-N 2.92Å; K969-M971 VanDerWaalsContact C-N 3.3Å; K969-M971 PolarHBondContact O-N 3.26Å; M971-S975 VanDerWaalsContact SD-CB 3.56Å; M971-I977 HydrophobicContact CE-CD1 4.31Å; M971-I977 HydrophobicContact CE-CG1 4.49Å; M971-I977 HydrophobicContact SD-CD1 3.57Å; M971-I977 VanDerWaalsContact SD-CD1 3.57Å; M971-I977 HydrophobicContact SD-CG1 3.72Å
972S81.2Confident85.4Confident77 Ų7771.3 Ų71.354%0.53838%0.376SS..EExtended strand (participates in β ladder)trans-63.9147.4174.5-60.10000112.2K953 S975K953-S972 WeakPolarHBondContact CE-O 3.41Å; S972-S975 PolarHBondContact O-N 3.04Å; S972-S975 PolarHBondContact O-OG 2.94Å
973I78.3Confident85Confident60 Ų6067.1 Ų67.131%0.30836%0.357SS..THydrogen-bonded Turntrans-66.9140.1172.1-62.6163.5000109.3F931 A951F931-I973 HydrophobicContact CB-CD1 3.81Å; F931-I973 HydrophobicContact CD1-CD1 4.09Å; F931-I973 HydrophobicContact CG-CD1 4.45Å; F931-I973 WeakPolarHBondContact O-CD1 3.3Å; A951-I973 HydrophobicContact CB-CD1 3.48Å; A951-I973 VanDerWaalsContact CB-CD1 3.48Å
974G71.4Confident84.6Confident54 Ų5467.7 Ų67.756%0.55736%0.36SS*.THydrogen-bonded Turntrans87.7-2.7-175.800000115.8
975S77Confident84.3Confident42 Ų4265.6 Ų65.629%0.29436%0.359SS..  trans-69.3139.3171.3-600000111.6K953 M971 S972 I977K953-S975 PolarHBondContact NZ-O 3.24Å; M971-S975 VanDerWaalsContact SD-CB 3.56Å; S972-S975 PolarHBondContact O-N 3.04Å; S972-S975 PolarHBondContact O-OG 2.94Å; S975-I977 PolarHBondContact O-N 3.36Å
976T77Confident84.2Confident114 Ų11464.6 Ų64.670%0.69936%0.358SS*.  trans-62.2122.6173.6-47.40000110.2T927T927-T976 HydrophobicContact CG2-CG2 4.32Å; T927-T976 WeakPolarHBondContact OG1-CA 3.35Å; T927-T976 WeakPolarHBondContact OG1-CG2 3.35Å
977I82.4Confident84.2Confident10 Ų1061.9 Ų61.95%0.05134%0.341CS..  trans-138.4116.8179.4-60.5-179.5000108.5L926 T927 K953 I955 I967 M971 S975L926-I977 HydrophobicContact CB-CB 4.36Å; L926-I977 HydrophobicContact CB-CG2 4.47Å; L926-I977 HydrophobicContact CD1-CG2 3.97Å; L926-I977 PolarHBondContact N-O 3.12Å; T927-I977 PolarHBondContact OG1-N 3.32Å; K953-I977 HydrophobicContact CD-CD1 4.1Å; I955-I977 HydrophobicContact CD1-CD1 3.86Å; I955-I977 HydrophobicContact CD1-CG2 4.34Å; I967-I977 HydrophobicContact CG2-CG2 3.62Å; M971-I977 HydrophobicContact CE-CD1 4.31Å; M971-I977 HydrophobicContact CE-CG1 4.49Å; M971-I977 HydrophobicContact SD-CD1 3.57Å; M971-I977 VanDerWaalsContact SD-CD1 3.57Å; M971-I977 HydrophobicContact SD-CG1 3.72Å; S975-I977 PolarHBondContact O-N 3.36Å
978T90.2Very high84.5Confident80 Ų8061.7 Ų61.749%0.49134%0.342SS..EExtended strand (participates in β ladder)trans-124.2150.2169.356.90000109.7I924 D925I924-T978 CarbonylContact O-C 3.29Å; I924-T978 WeakPolarHBondContact O-CA 3.47Å; D925-T978 HydrophobicContact CB-CG2 3.96Å
979Y91.3Very high84.8Confident23 Ų2361.4 Ų61.49%0.0934%0.34CS..EExtended strand (participates in β ladder)trans-141.8129.4172.5178-102.8000110.2T923 I924 L957 K965 I967 F981T923-Y979 CarbonylContact C-O 3.52Å; T923-Y979 VanDerWaalsContact CA-O 3.28Å; T923-Y979 WeakPolarHBondContact CA-O 3.5Å; I924-Y979 HydrophobicContact CD1-CD1 4.47Å; I924-Y979 HydrophobicContact CG1-CD1 4.49Å; I924-Y979 WeakPolarHBondContact CG1-O 3.46Å; I924-Y979 PolarHBondContact N-O 2.78Å; I924-Y979 PolarHBondContact O-N 2.96Å; L957-Y979 HydrophobicContact CD2-CD1 4.07Å; L957-Y979 HydrophobicContact CD2-CE1 3.41Å; L957-Y979 VanDerWaalsContact CD2-CE1 3.41Å; K965-Y979 HydrophobicContact CG-CE2 4.11Å; I967-Y979 HydrophobicContact CD1-CD1 3.97Å; I967-Y979 HydrophobicContact CD1-CD2 4.47Å; I967-Y979 HydrophobicContact CD1-CG 3.81Å; I967-Y979 HydrophobicContact CG1-CD1 4.46Å; I967-Y979 HydrophobicContact CG1-CD2 4.15Å; I967-Y979 HydrophobicContact CG1-CG 3.99Å; Y979-F981 HydrophobicContact CD1-CD2 4.37Å; Y979-F981 HydrophobicContact CD1-CE2 4.36Å; Y979-F981 HydrophobicContact CE1-CD1 4.11Å; Y979-F981 HydrophobicContact CE1-CD2 4.44Å; Y979-F981 HydrophobicContact CE1-CE1 4.37Å; Y979-F981 HydrophobicContact CE1-CG 4.16Å
980T91.4Very high84.9Confident67 Ų6754.9 Ų54.941%0.41131%0.313SS..EExtended strand (participates in β ladder)trans-102.9127.6176.6-53.80000109.3Q922 T923 E982Q922-T980 CarbonylContact O-C 3.54Å; Q922-T980 VanDerWaalsContact O-CA 3.31Å; Q922-T980 WeakPolarHBondContact O-CA 3.34Å; T923-T980 PolarHBondContact OG1-OG1 3.44Å; T980-E982 PolarHBondContact O-N 3.4Å
981F88Confident85.2Confident2 Ų248.6 Ų48.61%0.00929%0.289CS..  trans-70.9127-179.3-73.1-96.8000110.8I916 A918 G921 Q922 I924 L957 Y979 F987I916-F981 HydrophobicContact CD1-CZ 4.2Å; I916-F981 HydrophobicContact CG2-CZ 4.09Å; A918-F981 HydrophobicContact CB-CB 4.16Å; A918-F981 HydrophobicContact CB-CD1 3.32Å; A918-F981 HydrophobicContact CB-CD2 3.9Å; A918-F981 HydrophobicContact CB-CE1 3.51Å; A918-F981 HydrophobicContact CB-CE2 4.1Å; A918-F981 HydrophobicContact CB-CG 3.53Å; A918-F981 HydrophobicContact CB-CZ 3.91Å; G921-F981 PolarHBondContact N-O 2.99Å; Q922-F981 HydrophobicContact CB-CD2 4.36Å; Q922-F981 WeakPolarHBondContact O-CD2 3.27Å; Q922-F981 PolarHBondContact O-N 3.18Å; I924-F981 HydrophobicContact CD1-CE2 4.09Å; I924-F981 HydrophobicContact CD1-CZ 4.23Å; I924-F981 HydrophobicContact CG1-CE2 4.08Å; I924-F981 HydrophobicContact CG2-CE2 3.95Å; L957-F981 HydrophobicContact CD1-CE1 3.9Å; L957-F981 HydrophobicContact CD1-CZ 4.06Å; L957-F981 HydrophobicContact CD2-CD1 4.02Å; L957-F981 HydrophobicContact CD2-CE1 3.49Å; L957-F981 VanDerWaalsContact CD2-CE1 3.49Å; L957-F981 HydrophobicContact CD2-CZ 4.14Å; L957-F981 HydrophobicContact CG-CE1 4.28Å; Y979-F981 HydrophobicContact CD1-CD2 4.37Å; Y979-F981 HydrophobicContact CD1-CE2 4.36Å; Y979-F981 HydrophobicContact CE1-CD1 4.11Å; Y979-F981 HydrophobicContact CE1-CD2 4.44Å; Y979-F981 HydrophobicContact CE1-CE1 4.37Å; Y979-F981 HydrophobicContact CE1-CG 4.16Å; F981-F987 AromaticContact CD1-CD2 3.78Å; F981-F987 HydrophobicContact CD1-CD2 3.78Å; F981-F987 AromaticContact CD1-CE2 3.79Å; F981-F987 HydrophobicContact CD1-CE2 3.79Å; F981-F987 HydrophobicContact CD1-CG 4.31Å; F981-F987 HydrophobicContact CD1-CZ 4.32Å; F981-F987 HydrophobicContact CE1-CB 4.08Å; F981-F987 HydrophobicContact CE1-CD1 4.44Å; F981-F987 AromaticContact CE1-CD2 3.56Å; F981-F987 HydrophobicContact CE1-CD2 3.56Å; F981-F987 HydrophobicContact CE1-CE2 4.07Å; F981-F987 AromaticContact CE1-CG 3.78Å; F981-F987 HydrophobicContact CE1-CG 3.78Å
982E81.7Confident85.5Confident121 Ų12148.1 Ų48.157%0.56529%0.286SS*.SBendtrans-82.2-18.7-178.4-64178.9-157.400112.5K920 T980K920-E982 WeakPolarHBondContact CE-O 3.27Å; K920-E982 WeakPolarHBondContact CG-O 3.46Å; T980-E982 PolarHBondContact O-N 3.4Å
983E77.1Confident86Confident68 Ų6844.5 Ų44.532%0.31826%0.261SS..SBendtrans-146.7160179.769.2-178.3-167.100112.1K959 Y964 F987K959-E983 IonicContact NZ-OE1 2.82Å; K959-E983 PolarHBondContact NZ-OE1 2.98Å; K959-E983 IonicContact NZ-OE2 3.41Å; Y964-E983 HydrophobicContact CE2-CG 4.44Å; Y964-E983 WeakPolarHBondContact CE2-OE1 3.37Å; Y964-E983 WeakPolarHBondContact OH-CG 3.35Å; E983-F987 HydrophobicContact CG-CZ 3.92Å
984D79.9Confident86.6Confident100 Ų10042.7 Ų42.754%0.53525%0.251SS..  trans-71.6150.1172.2-62.2-21.6000111.2A918 I919 K920A918-D984 WeakPolarHBondContact O-CA 3.44Å; I919-D984 WeakPolarHBondContact CA-OD1 3.21Å; K920-D984 WeakPolarHBondContact CB-OD1 3.29Å; K920-D984 PolarHBondContact N-OD1 3.47Å
985G85.2Confident87.4Confident23 Ų2340.2 Ų40.224%0.23723%0.225CC..EExtended strand (participates in β ladder)trans150.8-179165.200000116A918 F987A918-G985 PolarHBondContact N-O 3.26Å; A918-G985 PolarHBondContact O-N 3.39Å; G985-F987 WeakPolarHBondContact O-CD2 3.33Å; G985-F987 WeakPolarHBondContact O-CE2 3.45Å
986D87.5Confident88Confident73 Ų7339.6 Ų39.639%0.3922%0.221SC..EExtended strand (participates in β ladder)trans-82.5118.9174-89-5.7000110.4R1074D986-R1074 VanDerWaalsContact CG-NE 3.28Å; D986-R1074 WeakPolarHBondContact OD1-CD 3.29Å; D986-R1074 IonicContact OD1-NE 3.09Å; D986-R1074 PolarHBondContact OD1-NE 2.98Å; D986-R1074 IonicContact OD2-CZ 2.77Å; D986-R1074 VanDerWaalsContact OD2-CZ 3.24Å; D986-R1074 IonicContact OD2-NE 3.55Å; D986-R1074 PolarHBondContact OD2-NE 2.75Å; D986-R1074 IonicContact OD2-NH2 2.88Å; D986-R1074 PolarHBondContact OD2-NH2 2.83Å
987F92.8Very high88.4Confident2 Ų234.2 Ų34.21%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-123.7153.4177.5-61.7-87.8000111.8I916 A918 L957 F958 K959 Y964 F981 E983 G985I916-F987 PolarHBondContact N-O 3.06Å; I916-F987 PolarHBondContact O-N 2.96Å; A918-F987 HydrophobicContact CB-CD2 3.74Å; A918-F987 HydrophobicContact CB-CE2 3.96Å; L957-F987 HydrophobicContact CD1-CB 3.66Å; L957-F987 HydrophobicContact CD1-CD1 4.4Å; L957-F987 HydrophobicContact CD1-CG 4.25Å; L957-F987 HydrophobicContact CD2-CD1 4.05Å; L957-F987 HydrophobicContact CD2-CG 4.4Å; L957-F987 HydrophobicContact CG-CB 4.14Å; L957-F987 HydrophobicContact CG-CD1 3.94Å; L957-F987 HydrophobicContact CG-CG 4.28Å; F958-F987 CarbonylContact O-C 3.45Å; F958-F987 WeakPolarHBondContact O-CA 3.22Å; K959-F987 HydrophobicContact CB-CD1 4.2Å; K959-F987 HydrophobicContact CB-CE1 4.19Å; K959-F987 HydrophobicContact CD-CE1 4.16Å; K959-F987 HydrophobicContact CG-CD1 4.49Å; K959-F987 HydrophobicContact CG-CE1 4.27Å; Y964-F987 HydrophobicContact CD1-CD1 4.21Å; Y964-F987 AromaticContact CD1-CE1 3.68Å; Y964-F987 HydrophobicContact CD1-CE1 3.68Å; Y964-F987 HydrophobicContact CD2-CE1 4.05Å; Y964-F987 AromaticContact CE1-CE1 3.87Å; Y964-F987 HydrophobicContact CE1-CE1 3.87Å; Y964-F987 HydrophobicContact CE1-CZ 4.37Å; Y964-F987 HydrophobicContact CE2-CE1 4.23Å; Y964-F987 HydrophobicContact CG-CD1 4.32Å; Y964-F987 AromaticContact CG-CE1 3.77Å; Y964-F987 HydrophobicContact CG-CE1 3.77Å; F981-F987 AromaticContact CD1-CD2 3.78Å; F981-F987 HydrophobicContact CD1-CD2 3.78Å; F981-F987 AromaticContact CD1-CE2 3.79Å; F981-F987 HydrophobicContact CD1-CE2 3.79Å; F981-F987 HydrophobicContact CD1-CG 4.31Å; F981-F987 HydrophobicContact CD1-CZ 4.32Å; F981-F987 HydrophobicContact CE1-CB 4.08Å; F981-F987 HydrophobicContact CE1-CD1 4.44Å; F981-F987 AromaticContact CE1-CD2 3.56Å; F981-F987 HydrophobicContact CE1-CD2 3.56Å; F981-F987 HydrophobicContact CE1-CE2 4.07Å; F981-F987 AromaticContact CE1-CG 3.78Å; F981-F987 HydrophobicContact CE1-CG 3.78Å; E983-F987 HydrophobicContact CG-CZ 3.92Å; G985-F987 WeakPolarHBondContact O-CD2 3.33Å; G985-F987 WeakPolarHBondContact O-CE2 3.45Å
988T93.4Very high88.5Confident27 Ų2736.7 Ų36.717%0.16620%0.198CC..EExtended strand (participates in β ladder)trans-112.3115.4169-52.70000108.3D913 L915 F958D913-T988 HydrophobicContact CB-CG2 3.77Å; L915-T988 HydrophobicContact CD2-CG2 4.19Å; L915-T988 WeakPolarHBondContact CD2-OG1 3.32Å; F958-T988 PolarHBondContact N-O 3.03Å; F958-T988 PolarHBondContact O-N 3.15Å
989L93.6Very high88Confident0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-89.8107173.5-178.771.8000108.4D913 I914 I916 I924 L926 I955 Y956 L957 I967 I991 V1025D913-L989 CarbonylContact C-O 3.47Å; D913-L989 WeakPolarHBondContact CA-O 3.3Å; I914-L989 HydrophobicContact CB-CB 4.39Å; I914-L989 PolarHBondContact N-O 3.21Å; I914-L989 PolarHBondContact O-N 3.04Å; I916-L989 HydrophobicContact CD1-CB 3.7Å; I916-L989 HydrophobicContact CD1-CD2 3.94Å; I916-L989 HydrophobicContact CD1-CG 4.42Å; I916-L989 HydrophobicContact CG1-CB 4.46Å; I924-L989 HydrophobicContact CD1-CD1 3.93Å; I924-L989 HydrophobicContact CD1-CD2 3.93Å; L926-L989 HydrophobicContact CD2-CD2 3.82Å; I955-L989 HydrophobicContact CG2-CD1 3.51Å; I955-L989 HydrophobicContact CG2-CG 4.36Å; Y956-L989 WeakPolarHBondContact O-CA 3.42Å; L957-L989 HydrophobicContact CD1-CB 4.26Å; L957-L989 HydrophobicContact CD1-CD1 4.16Å; I967-L989 HydrophobicContact CD1-CD1 3.78Å; L989-I991 HydrophobicContact CD2-CD1 4.17Å; L989-I991 HydrophobicContact CD2-CG1 4.48Å; L989-I991 HydrophobicContact CG-CD1 4.44Å; L989-I991 HydrophobicContact CG-CG1 4.26Å; L989-V1025 HydrophobicContact CD2-CG1 4.46Å
990S92.6Very high87.4Confident12 Ų1236.3 Ų36.38%0.08419%0.19CC..EExtended strand (participates in β ladder)trans-97.1122.8177.6-161.80000109.9D913 I955 Y956D913-S990 WeakPolarHBondContact OD1-CA 3.49Å; D913-S990 WeakPolarHBondContact OD1-CB 3.46Å; D913-S990 PolarHBondContact OD1-OG 2.85Å; I955-S990 WeakPolarHBondContact CA-O 3.39Å; Y956-S990 PolarHBondContact N-O 3.41Å; Y956-S990 PolarHBondContact O-N 3.3Å
991I91.8Very high86.7Confident0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-113.2117.7-177.6-63.2163.9000107.7S911 F912 I914 L926 L929 I955 L989 F1021 V1025S911-I991 VanDerWaalsContact CA-O 3.24Å; S911-I991 WeakPolarHBondContact CA-O 3.42Å; F912-I991 HydrophobicContact CD1-CB 4.48Å; F912-I991 HydrophobicContact CE1-CB 3.97Å; F912-I991 HydrophobicContact CE1-CD1 4.4Å; F912-I991 HydrophobicContact CE1-CG2 3.93Å; F912-I991 HydrophobicContact CE2-CD1 3.84Å; F912-I991 HydrophobicContact CZ-CB 4Å; F912-I991 HydrophobicContact CZ-CD1 3.58Å; F912-I991 HydrophobicContact CZ-CG1 4.38Å; F912-I991 HydrophobicContact CZ-CG2 4.16Å; F912-I991 PolarHBondContact N-O 2.83Å; F912-I991 VanDerWaalsContact N-O 3.14Å; F912-I991 PolarHBondContact O-N 2.79Å; I914-I991 HydrophobicContact CD1-CD1 4.22Å; L926-I991 HydrophobicContact CD2-CD1 3.96Å; L926-I991 HydrophobicContact CD2-CG1 4.42Å; L929-I991 HydrophobicContact CD1-CD1 3.88Å; L929-I991 HydrophobicContact CD2-CG2 3.78Å; I955-I991 HydrophobicContact CG2-CG1 4.43Å; L989-I991 HydrophobicContact CD2-CD1 4.17Å; L989-I991 HydrophobicContact CD2-CG1 4.48Å; L989-I991 HydrophobicContact CG-CD1 4.44Å; L989-I991 HydrophobicContact CG-CG1 4.26Å; I991-F1021 HydrophobicContact CG2-CE1 4.2Å; I991-V1025 HydrophobicContact CD1-CG2 4.21Å
992E92.4Very high86Confident55 Ų5537.5 Ų37.526%0.25719%0.19SC..EExtended strand (participates in β ladder)trans-115.4131.3179.1-58.7-176.5174.500109.5I909 F910 K953 S954 Y956I909-E992 HydrophobicContact CG2-CB 4.29Å; F910-E992 CarbonylContact O-C 3.59Å; F910-E992 WeakPolarHBondContact O-CA 3.33Å; K953-E992 CarbonylContact C-O 3.53Å; K953-E992 WeakPolarHBondContact CA-O 3.31Å; S954-E992 PolarHBondContact N-O 3.31Å; S954-E992 PolarHBondContact O-N 2.8Å; Y956-E992 HydrophobicContact CE2-CG 4.45Å
993S90.9Very high85.7Confident2 Ų238.4 Ų38.41%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-117.7130.4163.6-163.70000110.4I909 F910 F931 V952I909-S993 CarbonylContact C-O 3.51Å; I909-S993 WeakPolarHBondContact CA-O 3.11Å; F910-S993 PolarHBondContact N-O 3.02Å; F910-S993 PolarHBondContact O-N 2.9Å; F931-S993 VanDerWaalsContact CD1-OG 3.24Å; F931-S993 WeakPolarHBondContact CD1-OG 3.33Å; F931-S993 WeakPolarHBondContact CG-OG 3.41Å; V952-S993 CarbonylContact O-C 3.59Å; V952-S993 VanDerWaalsContact O-CA 3.26Å; V952-S993 WeakPolarHBondContact O-CA 3.39Å; V952-S993 PolarHBondContact O-OG 2.87Å
994E90.5Very high85.5Confident21 Ų2137 Ų3710%0.09819%0.186CC..EExtended strand (participates in β ladder)trans-128.2144.1-178.767.8173.8160.800112.2T907 C908 I909 A951 V952 R970T907-E994 HydrophobicContact CG2-CB 4.15Å; T907-E994 WeakPolarHBondContact CG2-OE2 3.36Å; C908-E994 CarbonylContact O-C 3.5Å; C908-E994 WeakPolarHBondContact O-CA 3.44Å; C908-E994 WeakPolarHBondContact O-CB 3.32Å; I909-E994 HydrophobicContact CB-CB 4.44Å; I909-E994 HydrophobicContact CG1-CB 3.87Å; A951-E994 CarbonylContact C-O 3.54Å; A951-E994 VanDerWaalsContact CA-O 3.3Å; A951-E994 WeakPolarHBondContact CA-O 3.32Å; V952-E994 HydrophobicContact CG2-CG 3.5Å; V952-E994 PolarHBondContact N-O 2.92Å; V952-E994 PolarHBondContact O-N 3.44Å; R970-E994 WeakPolarHBondContact CD-OE1 3.31Å; R970-E994 VanDerWaalsContact CG-OE1 3.25Å; R970-E994 WeakPolarHBondContact CG-OE1 3.16Å; R970-E994 IonicContact CZ-OE1 2.87Å; R970-E994 IonicContact CZ-OE2 3.11Å; R970-E994 IonicContact NE-OE1 3.84Å; R970-E994 PolarHBondContact NE-OE1 2.78Å; R970-E994 IonicContact NH1-OE1 2.68Å; R970-E994 PolarHBondContact NH1-OE1 2.88Å; R970-E994 IonicContact NH1-OE2 3.2Å; R970-E994 PolarHBondContact NH1-OE2 2.79Å; R970-E994 IonicContact NH2-OE1 3.68Å
995F89.5Confident85.2Confident3 Ų338.8 Ų38.81%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-139.6160.3166.967-90.7000109.6T907 C908 F910 F931 F933 V948 A951 Y997 W1017T907-F995 WeakPolarHBondContact CA-O 3.46Å; C908-F995 HydrophobicContact CB-CD1 4.18Å; C908-F995 HydrophobicContact CB-CE1 3.77Å; C908-F995 HydrophobicContact CB-CE2 4.17Å; C908-F995 HydrophobicContact CB-CZ 3.73Å; C908-F995 PolarHBondContact N-O 3.06Å; C908-F995 PolarHBondContact O-N 3.12Å; F910-F995 HydrophobicContact CD2-CE1 4.39Å; F910-F995 HydrophobicContact CE2-CD1 4.38Å; F910-F995 AromaticContact CE2-CE1 3.59Å; F910-F995 HydrophobicContact CE2-CE1 3.59Å; F910-F995 HydrophobicContact CE2-CZ 4.33Å; F910-F995 HydrophobicContact CZ-CE1 4.44Å; F931-F995 HydrophobicContact CE1-CD1 4.13Å; F931-F995 HydrophobicContact CE1-CE1 4.37Å; F933-F995 HydrophobicContact CB-CE1 4Å; F933-F995 AromaticContact CD1-CD1 3.98Å; F933-F995 HydrophobicContact CD1-CD1 3.98Å; F933-F995 HydrophobicContact CD1-CE1 4.15Å; F933-F995 AromaticContact CD2-CD1 3.78Å; F933-F995 HydrophobicContact CD2-CD1 3.78Å; F933-F995 HydrophobicContact CD2-CD2 4.08Å; F933-F995 AromaticContact CD2-CE1 3.36Å; F933-F995 HydrophobicContact CD2-CE1 3.36Å; F933-F995 AromaticContact CD2-CE2 3.74Å; F933-F995 HydrophobicContact CD2-CE2 3.74Å; F933-F995 HydrophobicContact CD2-CG 4.11Å; F933-F995 AromaticContact CD2-CZ 3.37Å; F933-F995 HydrophobicContact CD2-CZ 3.37Å; F933-F995 HydrophobicContact CE1-CB 4.31Å; F933-F995 HydrophobicContact CE1-CD1 4.03Å; F933-F995 HydrophobicContact CE1-CG 4.15Å; F933-F995 HydrophobicContact CE2-CB 4.43Å; F933-F995 AromaticContact CE2-CD1 3.82Å; F933-F995 HydrophobicContact CE2-CD1 3.82Å; F933-F995 AromaticContact CE2-CD2 3.52Å; F933-F995 HydrophobicContact CE2-CD2 3.52Å; F933-F995 AromaticContact CE2-CE1 3.81Å; F933-F995 HydrophobicContact CE2-CE1 3.81Å; F933-F995 AromaticContact CE2-CE2 3.56Å; F933-F995 HydrophobicContact CE2-CE2 3.56Å; F933-F995 AromaticContact CE2-CG 3.66Å; F933-F995 HydrophobicContact CE2-CG 3.66Å; F933-F995 AromaticContact CE2-CZ 3.71Å; F933-F995 HydrophobicContact CE2-CZ 3.71Å; F933-F995 AromaticContact CG-CD1 3.86Å; F933-F995 HydrophobicContact CG-CD1 3.86Å; F933-F995 AromaticContact CG-CE1 3.55Å; F933-F995 HydrophobicContact CG-CE1 3.55Å; F933-F995 HydrophobicContact CG-CZ 4.05Å; F933-F995 HydrophobicContact CZ-CB 3.98Å; F933-F995 AromaticContact CZ-CD1 3.95Å; F933-F995 HydrophobicContact CZ-CD1 3.95Å; F933-F995 AromaticContact CZ-CD2 3.93Å; F933-F995 HydrophobicContact CZ-CD2 3.93Å; F933-F995 HydrophobicContact CZ-CE1 4.38Å; F933-F995 HydrophobicContact CZ-CE2 4.4Å; F933-F995 AromaticContact CZ-CG 3.69Å; F933-F995 HydrophobicContact CZ-CG 3.69Å; V948-F995 HydrophobicContact CG1-CD2 4.36Å; A951-F995 HydrophobicContact CB-CB 4Å; F995-Y997 HydrophobicContact CD2-CD1 4.34Å; F995-Y997 AromaticContact CE2-CD1 3.86Å; F995-Y997 HydrophobicContact CE2-CD1 3.86Å; F995-Y997 HydrophobicContact CE2-CE1 4.42Å; F995-W1017 AromaticContact CE2-CD2 3.8Å; F995-W1017 HydrophobicContact CE2-CD2 3.8Å; F995-W1017 AromaticContact CE2-CE2 3.69Å; F995-W1017 AromaticContact CE2-CE3 3.99Å; F995-W1017 HydrophobicContact CE2-CE3 3.99Å; F995-W1017 HydrophobicContact CE2-CG 4.39Å; F995-W1017 AromaticContact CE2-CH2 3.97Å; F995-W1017 HydrophobicContact CE2-CH2 3.97Å; F995-W1017 AromaticContact CE2-CZ2 3.8Å; F995-W1017 HydrophobicContact CE2-CZ2 3.8Å; F995-W1017 HydrophobicContact CE2-CZ3 4.06Å; F995-W1017 HydrophobicContact CZ-CB 4.25Å; F995-W1017 AromaticContact CZ-CD2 3.46Å; F995-W1017 HydrophobicContact CZ-CD2 3.46Å; F995-W1017 VanDerWaalsContact CZ-CD2 3.46Å; F995-W1017 AromaticContact CZ-CE2 3.79Å; F995-W1017 AromaticContact CZ-CE3 3.73Å; F995-W1017 HydrophobicContact CZ-CE3 3.73Å; F995-W1017 AromaticContact CZ-CG 3.68Å; F995-W1017 HydrophobicContact CZ-CG 3.68Å; F995-W1017 HydrophobicContact CZ-CZ2 4.34Å; F995-W1017 HydrophobicContact CZ-CZ3 4.25Å
996S88.1Confident84.7Confident29 Ų2941.3 Ų41.320%0.20323%0.225CC..EExtended strand (participates in β ladder)trans-121.7143.3178.7-54.50000111.3V906 T907 G949V906-S996 CarbonylContact O-C 3.55Å; V906-S996 WeakPolarHBondContact O-CA 3.07Å; T907-S996 PolarHBondContact OG1-OG 2.98Å; G949-S996 PolarHBondContact N-O 2.74Å
997Y87.2Confident83.9Confident1 Ų140 Ų400%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-134.6166.8171.764.4-84.2000109.8T905 V906 C908 I945 F995 C999 Y1012 G1013 A1014 W1017T905-Y997 CarbonylContact C-O 3.58Å; T905-Y997 VanDerWaalsContact CA-O 3.31Å; T905-Y997 WeakPolarHBondContact CA-O 3.47Å; V906-Y997 HydrophobicContact CB-CD1 4.22Å; V906-Y997 HydrophobicContact CB-CD2 4.4Å; V906-Y997 HydrophobicContact CB-CE1 3.69Å; V906-Y997 HydrophobicContact CB-CE2 3.92Å; V906-Y997 HydrophobicContact CG1-CE1 3.71Å; V906-Y997 HydrophobicContact CG1-CE2 4.48Å; V906-Y997 WeakPolarHBondContact CG1-OH 3.22Å; V906-Y997 HydrophobicContact CG2-CE2 4.06Å; V906-Y997 PolarHBondContact N-O 3.19Å; V906-Y997 PolarHBondContact O-N 3.44Å; C908-Y997 VanDerWaalsContact SG-CE1 3.59Å; I945-Y997 HydrophobicContact CG1-CD2 4.34Å; I945-Y997 HydrophobicContact CG1-CE2 4.26Å; I945-Y997 HydrophobicContact CG2-CD2 3.71Å; I945-Y997 HydrophobicContact CG2-CE2 4.38Å; I945-Y997 HydrophobicContact CG2-CG 4.18Å; F995-Y997 HydrophobicContact CD2-CD1 4.34Å; F995-Y997 AromaticContact CE2-CD1 3.86Å; F995-Y997 HydrophobicContact CE2-CD1 3.86Å; F995-Y997 HydrophobicContact CE2-CE1 4.42Å; Y997-C999 HydrophobicContact CD2-CB 4.03Å; Y997-C999 HydrophobicContact CE2-CB 3.73Å; Y997-Y1012 WeakPolarHBondContact CE2-O 3.19Å; Y997-G1013 WeakPolarHBondContact OH-CA 3.32Å; Y997-G1013 PolarHBondContact OH-O 3.11Å; Y997-A1014 PolarHBondContact OH-N 2.86Å; Y997-W1017 AromaticContact CD1-CE2 3.95Å; Y997-W1017 AromaticContact CD1-CZ2 3.56Å; Y997-W1017 HydrophobicContact CD1-CZ2 3.56Å; Y997-W1017 AromaticContact CD1-NE1 3.93Å; Y997-W1017 HydrophobicContact CD2-CZ2 4.18Å; Y997-W1017 AromaticContact CE1-CE2 3.84Å; Y997-W1017 AromaticContact CE1-CZ2 3.87Å; Y997-W1017 HydrophobicContact CE1-CZ2 3.87Å; Y997-W1017 AromaticContact CE1-NE1 3.34Å; Y997-W1017 VanDerWaalsContact CE1-NE1 3.34Å; Y997-W1017 HydrophobicContact CE2-CZ2 4.43Å; Y997-W1017 AromaticContact CG-CZ2 3.72Å; Y997-W1017 HydrophobicContact CG-CZ2 3.72Å; Y997-W1017 AromaticContact CZ-NE1 3.65Å
998K83.1Confident82.9Confident61 Ų6145 Ų4527%0.26526%0.255SS..EExtended strand (participates in β ladder)trans-107.1133172-69-162.8172.6-138.30110.9N903 P904 T905 I945 T946 K947N903-K998 HydrophobicContact CB-CB 3.92Å; N903-K998 WeakPolarHBondContact O-CD 3.13Å; P904-K998 VanDerWaalsContact O-CA 3.25Å; P904-K998 WeakPolarHBondContact O-CA 3.42Å; T905-K998 WeakPolarHBondContact OG1-CE 3.37Å; I945-K998 CarbonylContact C-O 3.54Å; I945-K998 WeakPolarHBondContact CA-O 3.38Å; T946-K998 PolarHBondContact N-O 2.81Å; T946-K998 WeakPolarHBondContact O-CA 3.23Å; T946-K998 WeakPolarHBondContact O-CB 3.31Å; T946-K998 PolarHBondContact O-N 2.74Å; T946-K998 VanDerWaalsContact O-O 3.06Å; T946-K998 PolarHBondContact OG1-O 2.73Å; K947-K998 HydrophobicContact CB-CB 4.47Å; K947-K998 HydrophobicContact CB-CG 4.29Å; K947-K998 HydrophobicContact CD-CD 4.06Å
999C80.5Confident82Confident0 Ų045.6 Ų45.60%026%0.257CS..EExtended strand (participates in β ladder)trans-134161.2175.764.30000114.2N903 P904 V906 Y944 I945 Y997 Y1012N903-C999 WeakPolarHBondContact CA-O 3.47Å; N903-C999 WeakPolarHBondContact CB-O 3.48Å; P904-C999 WeakPolarHBondContact CD-O 3.46Å; P904-C999 WeakPolarHBondContact CG-O 3.11Å; P904-C999 PolarHBondContact O-N 2.83Å; P904-C999 VanDerWaalsContact O-N 3.1Å; V906-C999 WeakPolarHBondContact CG2-SG 3.38Å; Y944-C999 CarbonylContact O-C 3.56Å; Y944-C999 WeakPolarHBondContact O-CA 3.2Å; I945-C999 HydrophobicContact CG1-CB 4.18Å; Y997-C999 HydrophobicContact CD2-CB 4.03Å; Y997-C999 HydrophobicContact CE2-CB 3.73Å; C999-Y1012 WeakPolarHBondContact CB-O 3.44Å; C999-Y1012 PolarHBondContact SG-O 3.39Å
1000K78.3Confident81.1Confident96 Ų9647.6 Ų47.642%0.41727%0.267SS..  trans-70.9147.8168.4-70.5-168.9175-171.90110.6N903 Y944 Y1012N903-K1000 WeakPolarHBondContact OD1-CG 3.45Å; Y944-K1000 HydrophobicContact CD1-CD 3.83Å; Y944-K1000 HydrophobicContact CD1-CG 4.49Å; Y944-K1000 HydrophobicContact CD2-CB 4.38Å; Y944-K1000 HydrophobicContact CD2-CD 4.37Å; Y944-K1000 HydrophobicContact CE1-CD 4.07Å; Y944-K1000 HydrophobicContact CG-CB 4.29Å; Y944-K1000 HydrophobicContact CG-CD 4.01Å; Y944-K1000 HydrophobicContact CG-CG 4.31Å; Y944-K1000 PolarHBondContact O-N 2.8Å; Y944-K1000 VanDerWaalsContact O-N 3.11Å; K1000-Y1012 HydrophobicContact CB-CD2 4.26Å; K1000-Y1012 VanDerWaalsContact O-CD2 3.31Å; K1000-Y1012 WeakPolarHBondContact O-CD2 3.09Å; K1000-Y1012 PolarHBondContact O-N 2.9Å
1001V76.4Confident80.4Confident18 Ų1848 Ų4811%0.10927%0.268CS..EExtended strand (participates in β ladder)trans-90.3138.5168.2-174.70000108.3L895 A898 P904 N1009 D1010L895-V1001 HydrophobicContact CD2-CG2 4.31Å; A898-V1001 HydrophobicContact CB-CG1 4.41Å; P904-V1001 HydrophobicContact CG-CG2 3.41Å; P904-V1001 VanDerWaalsContact CG-CG2 3.41Å; V1001-N1009 HydrophobicContact CG1-CB 3.67Å; V1001-D1010 CarbonylContact C-O 3.57Å; V1001-D1010 WeakPolarHBondContact CA-O 3.22Å; V1001-D1010 WeakPolarHBondContact CG1-O 3.25Å
1002Y73.7Confident79.6Confident76 Ų7650.1 Ų50.130%0.29828%0.276SS..EExtended strand (participates in β ladder)trans-125.6163.7168.868.6-73.9000109.4N1004 N1009 D1010 Y1012Y1002-N1004 HydrophobicContact CE2-CB 3.83Å; Y1002-N1009 CarbonylContact O-C 3.54Å; Y1002-N1009 WeakPolarHBondContact O-CA 3.36Å; Y1002-D1010 HydrophobicContact CD1-CB 4.35Å; Y1002-D1010 VanDerWaalsContact CD1-O 3.32Å; Y1002-D1010 WeakPolarHBondContact CD1-O 3.15Å; Y1002-D1010 HydrophobicContact CE1-CB 3.82Å; Y1002-D1010 HydrophobicContact CE2-CB 4.19Å; Y1002-D1010 PolarHBondContact N-O 3.38Å; Y1002-D1010 PolarHBondContact O-N 3.08Å; Y1002-D1010 PolarHBondContact OH-OD2 2.75Å; Y1002-Y1012 HydrophobicContact CD1-CD1 4.41Å; Y1002-Y1012 AromaticContact CD1-CD2 3.63Å; Y1002-Y1012 HydrophobicContact CD1-CD2 3.63Å; Y1002-Y1012 HydrophobicContact CD1-CE1 4.21Å; Y1002-Y1012 AromaticContact CD1-CE2 3.35Å; Y1002-Y1012 HydrophobicContact CD1-CE2 3.35Å; Y1002-Y1012 HydrophobicContact CD1-CG 4.15Å; Y1002-Y1012 AromaticContact CD1-CZ 3.67Å; Y1002-Y1012 HydrophobicContact CE1-CD1 4.38Å; Y1002-Y1012 HydrophobicContact CE1-CD2 4.24Å; Y1002-Y1012 HydrophobicContact CE1-CE1 4.39Å; Y1002-Y1012 HydrophobicContact CE1-CE2 4.22Å; Y1002-Y1012 HydrophobicContact CE1-CG 4.31Å; Y1002-Y1012 HydrophobicContact CG-CD2 4.45Å; Y1002-Y1012 AromaticContact CG-CE2 3.74Å; Y1002-Y1012 HydrophobicContact CG-CE2 3.74Å; Y1002-Y1012 AromaticContact CG-CZ 3.84Å
1003K76.2Confident78.7Confident140 Ų14047.7 Ų47.761%0.60927%0.266SS*.EExtended strand (participates in β ladder)trans-90.1120.4165-74.3-175177.6-173.70108.4I1008 N1009K1003-I1008 WeakPolarHBondContact CA-O 3.2Å; K1003-N1009 WeakPolarHBondContact CE-OD1 3.48Å; K1003-N1009 VanDerWaalsContact CG-OD1 3.28Å; K1003-N1009 WeakPolarHBondContact CG-OD1 3.32Å
1004N72.8Confident77.7Confident37 Ų3748.5 Ų48.520%0.19827%0.273CS..  trans-68.817717267.720.7000110.5Y1002 A1006 G1007 I1008 D1010Y1002-N1004 HydrophobicContact CE2-CB 3.83Å; N1004-A1006 PolarHBondContact O-N 2.98Å; N1004-A1006 WeakPolarHBondContact OD1-CB 3.38Å; N1004-A1006 PolarHBondContact OD1-N 3.19Å; N1004-A1006 VanDerWaalsContact OD1-N 3.08Å; N1004-G1007 PolarHBondContact O-N 3.3Å; N1004-I1008 PolarHBondContact N-O 3.44Å; N1004-I1008 PolarHBondContact OD1-N 3.31Å; N1004-I1008 PolarHBondContact OD1-O 2.85Å; N1004-D1010 HydrophobicContact CB-CB 3.87Å; N1004-D1010 PolarHBondContact ND2-OD2 2.88Å
1005S72.7Confident76.7Confident139 Ų13953.4 Ų53.497%0.97230%0.3SS*.THydrogen-bonded Turntrans-60.6-16.9-17843.10000114.3G1007S1005-G1007 VanDerWaalsContact C-N 3.3Å
1006A74.6Confident76.1Confident75 Ų7554.3 Ų54.362%0.6231%0.307SS*.THydrogen-bonded Turntrans-86.12173.300000113.3N1004 I1008N1004-A1006 PolarHBondContact O-N 2.98Å; N1004-A1006 WeakPolarHBondContact OD1-CB 3.38Å; N1004-A1006 PolarHBondContact OD1-N 3.19Å; N1004-A1006 VanDerWaalsContact OD1-N 3.08Å; A1006-I1008 HydrophobicContact CB-CD1 4.08Å; A1006-I1008 HydrophobicContact CB-CG1 4.12Å; A1006-I1008 PolarHBondContact O-N 3.21Å
1007G70.7Confident76Confident46 Ų4653.3 Ų53.347%0.47430%0.298SS..SBendtrans74.65.8-175.600000114.1N1004 S1005N1004-G1007 PolarHBondContact O-N 3.3Å; S1005-G1007 VanDerWaalsContact C-N 3.3Å
1008I72.4Confident75.9Confident106 Ų10656.5 Ų56.554%0.54432%0.316SS..  trans-84.4134.7-180-58.8174.3000108.4K1003 N1004 A1006 D1010K1003-I1008 WeakPolarHBondContact CA-O 3.2Å; N1004-I1008 PolarHBondContact N-O 3.44Å; N1004-I1008 PolarHBondContact OD1-N 3.31Å; N1004-I1008 PolarHBondContact OD1-O 2.85Å; A1006-I1008 HydrophobicContact CB-CD1 4.08Å; A1006-I1008 HydrophobicContact CB-CG1 4.12Å; A1006-I1008 PolarHBondContact O-N 3.21Å; I1008-D1010 PolarHBondContact O-N 3.44Å; I1008-D1010 VanDerWaalsContact O-N 3.09Å
1009N73.4Confident76.1Confident41 Ų4154.4 Ų54.422%0.21931%0.309CS..EExtended strand (participates in β ladder)trans-63.1112.2171.2-76.3-1.6000108.8L895 V1001 Y1002 K1003L895-N1009 HydrophobicContact CB-CB 4.45Å; L895-N1009 PolarHBondContact O-ND2 3.29Å; V1001-N1009 HydrophobicContact CG1-CB 3.67Å; Y1002-N1009 CarbonylContact O-C 3.54Å; Y1002-N1009 WeakPolarHBondContact O-CA 3.36Å; K1003-N1009 WeakPolarHBondContact CE-OD1 3.48Å; K1003-N1009 VanDerWaalsContact CG-OD1 3.28Å; K1003-N1009 WeakPolarHBondContact CG-OD1 3.32Å
1010D75.7Confident76.4Confident41 Ų4156.9 Ų56.922%0.21933%0.33CS..EExtended strand (participates in β ladder)trans-119.9163.1-179.2-155.3-17.9000108.4V1001 Y1002 N1004 I1008V1001-D1010 CarbonylContact C-O 3.57Å; V1001-D1010 WeakPolarHBondContact CA-O 3.22Å; V1001-D1010 WeakPolarHBondContact CG1-O 3.25Å; Y1002-D1010 HydrophobicContact CD1-CB 4.35Å; Y1002-D1010 VanDerWaalsContact CD1-O 3.32Å; Y1002-D1010 WeakPolarHBondContact CD1-O 3.15Å; Y1002-D1010 HydrophobicContact CE1-CB 3.82Å; Y1002-D1010 HydrophobicContact CE2-CB 4.19Å; Y1002-D1010 PolarHBondContact N-O 3.38Å; Y1002-D1010 PolarHBondContact O-N 3.08Å; Y1002-D1010 PolarHBondContact OH-OD2 2.75Å; N1004-D1010 HydrophobicContact CB-CB 3.87Å; N1004-D1010 PolarHBondContact ND2-OD2 2.88Å; I1008-D1010 PolarHBondContact O-N 3.44Å; I1008-D1010 VanDerWaalsContact O-N 3.09Å
1011F77.1Confident77Confident20 Ų2052.7 Ų52.79%0.08831%0.312CS..EExtended strand (participates in β ladder)trans-125.8141.2-170.358.8-85.8000110.8P892 L895 V906 G1013 A1014P892-F1011 HydrophobicContact CB-CD1 4.08Å; P892-F1011 HydrophobicContact CB-CE1 4.17Å; P892-F1011 HydrophobicContact CB-CG 4.4Å; P892-F1011 HydrophobicContact CG-CD1 3.85Å; P892-F1011 HydrophobicContact CG-CE1 3.59Å; P892-F1011 HydrophobicContact CG-CZ 4.16Å; L895-F1011 HydrophobicContact CD2-CB 4.06Å; L895-F1011 HydrophobicContact CD2-CD1 3.8Å; L895-F1011 HydrophobicContact CD2-CG 4.31Å; V906-F1011 HydrophobicContact CB-CD2 4.49Å; V906-F1011 HydrophobicContact CG1-CD2 4.03Å; V906-F1011 HydrophobicContact CG1-CE2 3.64Å; V906-F1011 HydrophobicContact CG1-CZ 4.44Å; V906-F1011 HydrophobicContact CG2-CD2 3.68Å; V906-F1011 HydrophobicContact CG2-CE2 4.15Å; V906-F1011 HydrophobicContact CG2-CG 4.23Å; F1011-G1013 PolarHBondContact O-N 3.37Å; F1011-A1014 HydrophobicContact CD2-CB 4.16Å; F1011-A1014 HydrophobicContact CE2-CB 3.41Å; F1011-A1014 VanDerWaalsContact CE2-CB 3.41Å; F1011-A1014 HydrophobicContact CZ-CB 3.68Å
1012Y76.4Confident77.5Confident45 Ų4553.8 Ų53.818%0.17632%0.32CS..THydrogen-bonded Turntrans-71.6130.3178.5-71.6-86.7000109.7R941 Y944 Y997 C999 K1000 Y1002R941-Y1012 HydrophobicContact CB-CD1 4.32Å; R941-Y1012 HydrophobicContact CB-CE1 4.12Å; R941-Y1012 HydrophobicContact CG-CE1 4.36Å; Y944-Y1012 HydrophobicContact CD2-CD1 4.29Å; Y944-Y1012 AromaticContact CD2-CD2 3.64Å; Y944-Y1012 HydrophobicContact CD2-CD2 3.64Å; Y944-Y1012 HydrophobicContact CD2-CE1 4.04Å; Y944-Y1012 AromaticContact CD2-CE2 3.38Å; Y944-Y1012 HydrophobicContact CD2-CE2 3.38Å; Y944-Y1012 HydrophobicContact CD2-CG 4.1Å; Y944-Y1012 AromaticContact CD2-CZ 3.6Å; Y944-Y1012 AromaticContact CE2-CE2 3.87Å; Y944-Y1012 HydrophobicContact CE2-CE2 3.87Å; Y944-Y1012 AromaticContact CE2-CZ 3.86Å; Y944-Y1012 HydrophobicContact CG-CD2 4.37Å; Y944-Y1012 HydrophobicContact CG-CE2 4.46Å; Y997-Y1012 WeakPolarHBondContact CE2-O 3.19Å; C999-Y1012 WeakPolarHBondContact CB-O 3.44Å; C999-Y1012 PolarHBondContact SG-O 3.39Å; K1000-Y1012 HydrophobicContact CB-CD2 4.26Å; K1000-Y1012 VanDerWaalsContact O-CD2 3.31Å; K1000-Y1012 WeakPolarHBondContact O-CD2 3.09Å; K1000-Y1012 PolarHBondContact O-N 2.9Å; Y1002-Y1012 HydrophobicContact CD1-CD1 4.41Å; Y1002-Y1012 AromaticContact CD1-CD2 3.63Å; Y1002-Y1012 HydrophobicContact CD1-CD2 3.63Å; Y1002-Y1012 HydrophobicContact CD1-CE1 4.21Å; Y1002-Y1012 AromaticContact CD1-CE2 3.35Å; Y1002-Y1012 HydrophobicContact CD1-CE2 3.35Å; Y1002-Y1012 HydrophobicContact CD1-CG 4.15Å; Y1002-Y1012 AromaticContact CD1-CZ 3.67Å; Y1002-Y1012 HydrophobicContact CE1-CD1 4.38Å; Y1002-Y1012 HydrophobicContact CE1-CD2 4.24Å; Y1002-Y1012 HydrophobicContact CE1-CE1 4.39Å; Y1002-Y1012 HydrophobicContact CE1-CE2 4.22Å; Y1002-Y1012 HydrophobicContact CE1-CG 4.31Å; Y1002-Y1012 HydrophobicContact CG-CD2 4.45Å; Y1002-Y1012 AromaticContact CG-CE2 3.74Å; Y1002-Y1012 HydrophobicContact CG-CE2 3.74Å; Y1002-Y1012 AromaticContact CG-CZ 3.84Å
1013G73Confident78.3Confident5 Ų551.6 Ų51.65%0.05232%0.32CS..THydrogen-bonded Turntrans114.2-7.4168.700000116Y997 F1011 D1015 S1016 W1017Y997-G1013 WeakPolarHBondContact OH-CA 3.32Å; Y997-G1013 PolarHBondContact OH-O 3.11Å; F1011-G1013 PolarHBondContact O-N 3.37Å; G1013-D1015 VanDerWaalsContact C-N 3.32Å; G1013-D1015 PolarHBondContact O-N 3.23Å; G1013-S1016 WeakPolarHBondContact CA-OG 3.32Å; G1013-S1016 WeakPolarHBondContact O-CB 3.47Å; G1013-S1016 PolarHBondContact O-N 3.05Å; G1013-S1016 VanDerWaalsContact O-N 3.1Å; G1013-W1017 PolarHBondContact O-NE1 3.04Å
1014A69.2Low78.9Confident18 Ų1845.9 Ų45.915%0.14930%0.298CS..THydrogen-bonded Turntrans-49.9-49.4-174.500000113T890 Y997 F1011T890-A1014 WeakPolarHBondContact CG2-O 3.32Å; Y997-A1014 PolarHBondContact OH-N 2.86Å; F1011-A1014 HydrophobicContact CD2-CB 4.16Å; F1011-A1014 HydrophobicContact CE2-CB 3.41Å; F1011-A1014 VanDerWaalsContact CE2-CB 3.41Å; F1011-A1014 HydrophobicContact CZ-CB 3.68Å
1015D70.6Confident79.7Confident124 Ų12444.1 Ų44.166%0.66329%0.289SS*.THydrogen-bonded Turntrans-105.512.3179.9-64.6-44.7000114.5R888 G1013 W1017R888-D1015 VanDerWaalsContact NH1-CA 3.32Å; R888-D1015 PolarHBondContact NH1-O 2.84Å; R888-D1015 IonicContact NH1-OD1 3.07Å; G1013-D1015 VanDerWaalsContact C-N 3.32Å; G1013-D1015 PolarHBondContact O-N 3.23Å; D1015-W1017 VanDerWaalsContact C-N 3.33Å; D1015-W1017 PolarHBondContact O-N 2.79Å
1016S76.6Confident80.6Confident23 Ų2340.2 Ų40.216%0.16126%0.255CS..  trans-89.75-166.6-62.70000114.4N936 V939 G1013N936-S1016 WeakPolarHBondContact CB-O 3.27Å; N936-S1016 PolarHBondContact N-O 2.86Å; V939-S1016 VanDerWaalsContact CG2-CB 3.44Å; G1013-S1016 WeakPolarHBondContact CA-OG 3.32Å; G1013-S1016 WeakPolarHBondContact O-CB 3.47Å; G1013-S1016 PolarHBondContact O-N 3.05Å; G1013-S1016 VanDerWaalsContact O-N 3.1Å
1017W84.7Confident81.5Confident7 Ų736.6 Ų36.63%0.02723%0.226CC..EExtended strand (participates in β ladder)trans-107.1121.3-173.8-57.596.1000110R888 F910 F933 E934 L935 I945 V948 F995 Y997 G1013 D1015R888-W1017 PolarHBondContact NH2-O 2.78Å; F910-W1017 HydrophobicContact CZ-CB 4.25Å; F933-W1017 AromaticContact CD2-CE3 3.68Å; F933-W1017 HydrophobicContact CD2-CE3 3.68Å; F933-W1017 AromaticContact CD2-CZ3 3.8Å; F933-W1017 HydrophobicContact CD2-CZ3 3.8Å; F933-W1017 HydrophobicContact CE2-CE3 4.25Å; F933-W1017 AromaticContact CE2-CZ3 3.93Å; F933-W1017 HydrophobicContact CE2-CZ3 3.93Å; E934-W1017 WeakPolarHBondContact O-CA 3.47Å; L935-W1017 HydrophobicContact CB-CE3 4.23Å; L935-W1017 HydrophobicContact CB-CH2 4.44Å; L935-W1017 HydrophobicContact CB-CZ3 3.97Å; L935-W1017 HydrophobicContact CD1-CD2 4.09Å; L935-W1017 HydrophobicContact CD1-CE3 4.16Å; L935-W1017 HydrophobicContact CD1-CH2 4.04Å; L935-W1017 HydrophobicContact CD1-CZ2 3.93Å; L935-W1017 HydrophobicContact CD1-CZ3 4.15Å; I945-W1017 HydrophobicContact CG2-CH2 4.05Å; I945-W1017 HydrophobicContact CG2-CZ2 3.88Å; V948-W1017 HydrophobicContact CB-CH2 4.39Å; V948-W1017 HydrophobicContact CG1-CH2 3.7Å; V948-W1017 HydrophobicContact CG1-CZ3 4.05Å; V948-W1017 HydrophobicContact CG2-CH2 3.73Å; F995-W1017 AromaticContact CE2-CD2 3.8Å; F995-W1017 HydrophobicContact CE2-CD2 3.8Å; F995-W1017 AromaticContact CE2-CE2 3.69Å; F995-W1017 AromaticContact CE2-CE3 3.99Å; F995-W1017 HydrophobicContact CE2-CE3 3.99Å; F995-W1017 HydrophobicContact CE2-CG 4.39Å; F995-W1017 AromaticContact CE2-CH2 3.97Å; F995-W1017 HydrophobicContact CE2-CH2 3.97Å; F995-W1017 AromaticContact CE2-CZ2 3.8Å; F995-W1017 HydrophobicContact CE2-CZ2 3.8Å; F995-W1017 HydrophobicContact CE2-CZ3 4.06Å; F995-W1017 HydrophobicContact CZ-CB 4.25Å; F995-W1017 AromaticContact CZ-CD2 3.46Å; F995-W1017 HydrophobicContact CZ-CD2 3.46Å; F995-W1017 VanDerWaalsContact CZ-CD2 3.46Å; F995-W1017 AromaticContact CZ-CE2 3.79Å; F995-W1017 AromaticContact CZ-CE3 3.73Å; F995-W1017 HydrophobicContact CZ-CE3 3.73Å; F995-W1017 AromaticContact CZ-CG 3.68Å; F995-W1017 HydrophobicContact CZ-CG 3.68Å; F995-W1017 HydrophobicContact CZ-CZ2 4.34Å; F995-W1017 HydrophobicContact CZ-CZ3 4.25Å; Y997-W1017 AromaticContact CD1-CE2 3.95Å; Y997-W1017 AromaticContact CD1-CZ2 3.56Å; Y997-W1017 HydrophobicContact CD1-CZ2 3.56Å; Y997-W1017 AromaticContact CD1-NE1 3.93Å; Y997-W1017 HydrophobicContact CD2-CZ2 4.18Å; Y997-W1017 AromaticContact CE1-CE2 3.84Å; Y997-W1017 AromaticContact CE1-CZ2 3.87Å; Y997-W1017 HydrophobicContact CE1-CZ2 3.87Å; Y997-W1017 AromaticContact CE1-NE1 3.34Å; Y997-W1017 VanDerWaalsContact CE1-NE1 3.34Å; Y997-W1017 HydrophobicContact CE2-CZ2 4.43Å; Y997-W1017 AromaticContact CG-CZ2 3.72Å; Y997-W1017 HydrophobicContact CG-CZ2 3.72Å; Y997-W1017 AromaticContact CZ-NE1 3.65Å; G1013-W1017 PolarHBondContact O-NE1 3.04Å; D1015-W1017 VanDerWaalsContact C-N 3.33Å; D1015-W1017 PolarHBondContact O-N 2.79Å
1018N84.7Confident82.3Confident69 Ų6937.6 Ų37.637%0.36922%0.219SC..EExtended strand (participates in β ladder)trans-79.6117.7161.1-66.1-20.1000105.4F933 E934 N936F933-N1018 CarbonylContact C-O 3.53Å; F933-N1018 WeakPolarHBondContact CA-O 3.29Å; E934-N1018 HydrophobicContact CG-CB 3.91Å; E934-N1018 PolarHBondContact N-O 2.92Å; E934-N1018 PolarHBondContact O-N 3.48Å; E934-N1018 PolarHBondContact OE1-ND2 3.1Å; N936-N1018 PolarHBondContact ND2-OD1 3.22Å
1019A87.7Confident82.9Confident16 Ų1633 Ų3313%0.13220%0.196CC..EExtended strand (participates in β ladder)trans-125.1143.2177.900000108.5F886 F910 F931 D932 F933F886-A1019 HydrophobicContact CZ-CB 4.49Å; F886-A1019 WeakPolarHBondContact CZ-O 3.37Å; F910-A1019 HydrophobicContact CD1-CB 3.76Å; F910-A1019 HydrophobicContact CD2-CB 4.38Å; F910-A1019 HydrophobicContact CE1-CB 3.4Å; F910-A1019 VanDerWaalsContact CE1-CB 3.4Å; F910-A1019 HydrophobicContact CE2-CB 4.09Å; F910-A1019 HydrophobicContact CG-CB 4.22Å; F910-A1019 HydrophobicContact CZ-CB 3.59Å; F931-A1019 HydrophobicContact CE2-CB 3.78Å; F931-A1019 HydrophobicContact CZ-CB 3.73Å; D932-A1019 CarbonylContact O-C 3.54Å; D932-A1019 WeakPolarHBondContact O-CA 3.47Å; F933-A1019 HydrophobicContact CB-CB 4.26Å
1020A87.5Confident83Confident53 Ų5337.6 Ų37.644%0.43822%0.216SC..EExtended strand (participates in β ladder)trans-141.6129.817500000108.9D932D932-A1020 PolarHBondContact N-O 3.04Å; D932-A1020 PolarHBondContact O-N 2.55Å
1021F90.7Very high82.6Confident8 Ų835.8 Ų35.84%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-75.4143.7160.7-73.3-82.3000108.7V881 S882 F886 F910 F912 L929 G930 F931 I991V881-F1021 HydrophobicContact CG2-CB 4.13Å; S882-F1021 WeakPolarHBondContact CA-O 3.48Å; F886-F1021 HydrophobicContact CB-CD2 4.27Å; F886-F1021 HydrophobicContact CB-CE2 4.06Å; F886-F1021 AromaticContact CD1-CD2 3.9Å; F886-F1021 HydrophobicContact CD1-CD2 3.9Å; F886-F1021 HydrophobicContact CD1-CE2 4.36Å; F886-F1021 HydrophobicContact CG-CD2 4.15Å; F886-F1021 HydrophobicContact CG-CE2 4.14Å; F910-F1021 HydrophobicContact CB-CE2 3.82Å; F910-F1021 HydrophobicContact CB-CZ 4.02Å; F912-F1021 HydrophobicContact CD1-CD1 4.48Å; F912-F1021 AromaticContact CD1-CD2 3.78Å; F912-F1021 HydrophobicContact CD1-CD2 3.78Å; F912-F1021 HydrophobicContact CD1-CE1 4.42Å; F912-F1021 AromaticContact CD1-CE2 3.71Å; F912-F1021 HydrophobicContact CD1-CE2 3.71Å; F912-F1021 HydrophobicContact CD1-CG 4.16Å; F912-F1021 HydrophobicContact CD1-CZ 4.04Å; F912-F1021 HydrophobicContact CE1-CB 4.25Å; F912-F1021 AromaticContact CE1-CD1 3.69Å; F912-F1021 HydrophobicContact CE1-CD1 3.69Å; F912-F1021 AromaticContact CE1-CD2 3.71Å; F912-F1021 HydrophobicContact CE1-CD2 3.71Å; F912-F1021 AromaticContact CE1-CE1 3.85Å; F912-F1021 HydrophobicContact CE1-CE1 3.85Å; F912-F1021 AromaticContact CE1-CE2 3.88Å; F912-F1021 HydrophobicContact CE1-CE2 3.88Å; F912-F1021 AromaticContact CE1-CG 3.6Å; F912-F1021 HydrophobicContact CE1-CG 3.6Å; F912-F1021 AromaticContact CE1-CZ 3.94Å; F912-F1021 HydrophobicContact CE1-CZ 3.94Å; L929-F1021 HydrophobicContact CD2-CD1 4.2Å; L929-F1021 HydrophobicContact CD2-CE1 4.48Å; G930-F1021 WeakPolarHBondContact O-CA 3.37Å; F931-F1021 HydrophobicContact CB-CD1 4.2Å; F931-F1021 HydrophobicContact CB-CE1 4.24Å; F931-F1021 AromaticContact CD2-CD1 3.8Å; F931-F1021 HydrophobicContact CD2-CD1 3.8Å; F931-F1021 HydrophobicContact CD2-CD2 4.16Å; F931-F1021 AromaticContact CD2-CE1 3.62Å; F931-F1021 HydrophobicContact CD2-CE1 3.62Å; F931-F1021 AromaticContact CD2-CE2 3.99Å; F931-F1021 HydrophobicContact CD2-CE2 3.99Å; F931-F1021 HydrophobicContact CD2-CG 4.09Å; F931-F1021 AromaticContact CD2-CZ 3.72Å; F931-F1021 HydrophobicContact CD2-CZ 3.72Å; F931-F1021 HydrophobicContact CE2-CD2 4.48Å; F931-F1021 HydrophobicContact CE2-CE1 4.41Å; F931-F1021 HydrophobicContact CE2-CE2 4.09Å; F931-F1021 HydrophobicContact CE2-CZ 4.06Å; F931-F1021 HydrophobicContact CG-CD1 4.48Å; F931-F1021 HydrophobicContact CG-CE1 4.28Å; I991-F1021 HydrophobicContact CG2-CE1 4.2Å
1022S87.7Confident81.9Confident41 Ų4142.2 Ų42.229%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-136.1163.7177.761.10000110V881 G930V881-S1022 WeakPolarHBondContact CG2-O 3.29Å; G930-S1022 WeakPolarHBondContact CA-OG 3.34Å; G930-S1022 PolarHBondContact N-O 2.95Å; G930-S1022 PolarHBondContact O-N 3.11Å
1023G89.1Confident81Confident29 Ų2942 Ų4230%0.29924%0.239SC..SBendtrans85.4-158.9-177.100000113.4V881 S928V881-G1023 WeakPolarHBondContact CG2-O 3.41Å; V881-G1023 PolarHBondContact N-O 3.1Å; S928-G1023 WeakPolarHBondContact O-CA 3.34Å
1024S89.4Confident80.8Confident20 Ų2046.2 Ų46.214%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-139.3163.6-171.255.30000111.7S878 V879 S928 E1026S878-S1024 WeakPolarHBondContact OG-CB 3.49Å; V879-S1024 CarbonylContact O-C 3.54Å; V879-S1024 VanDerWaalsContact O-CA 3.23Å; V879-S1024 WeakPolarHBondContact O-CA 3.31Å; S928-S1024 PolarHBondContact OG-N 3.43Å; S928-S1024 PolarHBondContact OG-O 2.62Å; S928-S1024 PolarHBondContact OG-OG 3.41Å; S1024-E1026 VanDerWaalsContact CB-OE1 3.26Å; S1024-E1026 WeakPolarHBondContact CB-OE1 3.44Å; S1024-E1026 PolarHBondContact OG-OE1 3.42Å
1025V90.3Very high81.5Confident0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-107.7114.7160.5-179.50000106.8V879 V881 I914 I924 L926 L929 L989 I991 F1027V879-V1025 PolarHBondContact N-O 3.35Å; V879-V1025 PolarHBondContact O-N 2.97Å; V881-V1025 HydrophobicContact CG1-CG2 3.96Å; I914-V1025 HydrophobicContact CD1-CB 4.35Å; I914-V1025 HydrophobicContact CD1-CG2 3.85Å; I924-V1025 HydrophobicContact CB-CG1 4.31Å; I924-V1025 HydrophobicContact CG2-CG1 4.43Å; L926-V1025 HydrophobicContact CD2-CG1 4.07Å; L926-V1025 HydrophobicContact CD2-CG2 3.72Å; L926-V1025 HydrophobicContact CG-CG1 4.21Å; L926-V1025 HydrophobicContact CG-CG2 4.42Å; L929-V1025 HydrophobicContact CD1-CG2 3.69Å; L989-V1025 HydrophobicContact CD2-CG1 4.46Å; I991-V1025 HydrophobicContact CD1-CG2 4.21Å; V1025-F1027 HydrophobicContact CB-CE2 4.17Å; V1025-F1027 HydrophobicContact CG1-CD2 4.32Å; V1025-F1027 HydrophobicContact CG1-CE2 3.74Å; V1025-F1027 HydrophobicContact CG1-CZ 4.28Å; V1025-F1027 WeakPolarHBondContact O-CD2 3.33Å
1026E91.7Very high82.2Confident57 Ų5741.8 Ų41.827%0.26623%0.228SC..EExtended strand (participates in β ladder)trans-87.6136.6177.7-58-61.5133.400109.5G877 S878 I924 D925 S1024G877-E1026 CarbonylContact O-C 3.56Å; G877-E1026 WeakPolarHBondContact O-CA 3.45Å; S878-E1026 WeakPolarHBondContact CB-OE1 2.88Å; S878-E1026 WeakPolarHBondContact CB-OE2 3.44Å; S878-E1026 PolarHBondContact OG-OE1 3.46Å; I924-E1026 CarbonylContact C-O 3.57Å; I924-E1026 VanDerWaalsContact CA-O 3.3Å; I924-E1026 WeakPolarHBondContact CA-O 2.95Å; D925-E1026 HydrophobicContact CB-CB 4.22Å; D925-E1026 PolarHBondContact N-O 3.33Å; D925-E1026 PolarHBondContact O-N 2.84Å; S1024-E1026 VanDerWaalsContact CB-OE1 3.26Å; S1024-E1026 WeakPolarHBondContact CB-OE1 3.44Å; S1024-E1026 PolarHBondContact OG-OE1 3.42Å
1027F92Very high82.8Confident0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-109.7121.8177.4-72.1-108.2000107N876 G877 V879 I916 Q922 I924 V1025 F1068 F1077N876-F1027 CarbonylContact C-O 3.54Å; N876-F1027 VanDerWaalsContact CA-O 3.26Å; N876-F1027 WeakPolarHBondContact CA-O 3.36Å; G877-F1027 PolarHBondContact N-O 3Å; G877-F1027 PolarHBondContact O-N 2.87Å; V879-F1027 HydrophobicContact CB-CE2 4.26Å; V879-F1027 HydrophobicContact CG2-CD2 4.16Å; V879-F1027 HydrophobicContact CG2-CE2 3.53Å; V879-F1027 HydrophobicContact CG2-CZ 4.3Å; I916-F1027 HydrophobicContact CD1-CE1 3.92Å; I916-F1027 HydrophobicContact CD1-CZ 3.88Å; I916-F1027 HydrophobicContact CG1-CE1 4.02Å; I916-F1027 HydrophobicContact CG1-CZ 4.02Å; I916-F1027 HydrophobicContact CG2-CE1 3.92Å; Q922-F1027 VanDerWaalsContact NE2-CD1 3.28Å; I924-F1027 HydrophobicContact CG2-CD1 3.87Å; I924-F1027 HydrophobicContact CG2-CE1 3.79Å; I924-F1027 HydrophobicContact CG2-CG 4.3Å; I924-F1027 HydrophobicContact CG2-CZ 4.16Å; V1025-F1027 HydrophobicContact CB-CE2 4.17Å; V1025-F1027 HydrophobicContact CG1-CD2 4.32Å; V1025-F1027 HydrophobicContact CG1-CE2 3.74Å; V1025-F1027 HydrophobicContact CG1-CZ 4.28Å; V1025-F1027 WeakPolarHBondContact O-CD2 3.33Å; F1027-F1068 HydrophobicContact CB-CD2 4.27Å; F1027-F1068 HydrophobicContact CB-CE2 3.97Å; F1027-F1068 HydrophobicContact CD1-CE2 4.06Å; F1027-F1068 AromaticContact CD2-CE2 3.91Å; F1027-F1068 HydrophobicContact CD2-CE2 3.91Å; F1027-F1068 HydrophobicContact CD2-CZ 4.13Å; F1027-F1068 HydrophobicContact CE2-CE2 4.47Å; F1027-F1068 HydrophobicContact CG-CD2 4.46Å; F1027-F1068 AromaticContact CG-CE2 3.71Å; F1027-F1068 HydrophobicContact CG-CE2 3.71Å; F1027-F1068 HydrophobicContact CG-CZ 4.39Å; F1027-F1077 HydrophobicContact CB-CE2 3.96Å; F1027-F1077 HydrophobicContact CB-CZ 4.01Å
1028L88.4Confident82.8Confident66 Ų6642.2 Ų42.235%0.34623%0.228SC..EExtended strand (participates in β ladder)trans-123.4130.4-178.7-63.7167.4000108.3Y875 N876 T923Y875-L1028 WeakPolarHBondContact O-CA 3.22Å; N876-L1028 HydrophobicContact CB-CD2 4.41Å; T923-L1028 PolarHBondContact N-O 2.72Å; T923-L1028 PolarHBondContact O-N 3.34Å
1029Y84.6Confident82.8Confident11 Ų1139.7 Ų39.74%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-139.5119.5171.6179.4-109.9000108.9Y875 I919 Q922 Y1066 F1077Y875-Y1029 AromaticContact CD2-CD1 3.89Å; Y875-Y1029 HydrophobicContact CD2-CD1 3.89Å; Y875-Y1029 WeakPolarHBondContact CD2-O 3.12Å; Y875-Y1029 PolarHBondContact N-O 3.34Å; Y875-Y1029 PolarHBondContact O-N 3.31Å; I919-Y1029 HydrophobicContact CB-CE2 4.41Å; I919-Y1029 HydrophobicContact CG2-CE2 4Å; Q922-Y1029 HydrophobicContact CB-CD2 4.19Å; Y1029-Y1066 HydrophobicContact CD1-CD2 4.07Å; Y1029-Y1066 HydrophobicContact CD1-CE2 4.25Å; Y1029-Y1066 HydrophobicContact CD1-CG 4.21Å; Y1029-Y1066 HydrophobicContact CE1-CD1 4.37Å; Y1029-Y1066 AromaticContact CE1-CD2 3.68Å; Y1029-Y1066 HydrophobicContact CE1-CD2 3.68Å; Y1029-Y1066 HydrophobicContact CE1-CE1 4.15Å; Y1029-Y1066 AromaticContact CE1-CE2 3.41Å; Y1029-Y1066 HydrophobicContact CE1-CE2 3.41Å; Y1029-Y1066 VanDerWaalsContact CE1-CE2 3.41Å; Y1029-Y1066 HydrophobicContact CE1-CG 4.14Å; Y1029-Y1066 AromaticContact CE1-CZ 3.62Å; Y1029-F1077 HydrophobicContact CG-CD2 4.47Å
1030E75.1Confident82.4Confident137 Ų13741.2 Ų41.264%0.6423%0.231SC*.EExtended strand (participates in β ladder)trans-99.5106.8172.8178.5165.2-154.200106.9N874 K1032N874-E1030 VanDerWaalsContact OD1-CB 3.27Å; N874-E1030 WeakPolarHBondContact OD1-CB 3.45Å; N874-E1030 WeakPolarHBondContact OD1-CG 3.29Å; E1030-K1032 PolarHBondContact O-N 3.38Å
1031S68.6Low81.7Confident2 Ų246.3 Ų46.31%0.01425%0.251CS..  trans-72.6121.2177.369.60000108.8K870 K873K870-S1031 PolarHBondContact O-OG 3.28Å; K873-S1031 PolarHBondContact O-N 3.33Å
1032K62.8Low81.1Confident156 Ų15652.6 Ų52.668%0.67828%0.279SS*.  trans-70.1141157.5-62.2177.2-176.8176.60106.2S869 E1030 E1034S869-K1032 PolarHBondContact OG-O 2.9Å; E1030-K1032 PolarHBondContact O-N 3.38Å; K1032-E1034 VanDerWaalsContact C-N 3.26Å; K1032-E1034 HydrophobicContact CB-CG 4.08Å; K1032-E1034 WeakPolarHBondContact O-CG 3.41Å; K1032-E1034 PolarHBondContact O-N 3.18Å
1033S56.5Low80.7Confident41 Ų4154.1 Ų54.129%0.28728%0.279SS..  trans-60.692.7175.8163.50000109.4K868 D871K868-S1033 WeakPolarHBondContact CE-OG 3.42Å; D871-S1033 VanDerWaalsContact OD1-CB 3.22Å; D871-S1033 WeakPolarHBondContact OD1-CB 3.3Å
1034E68.6Low80.3Confident93 Ų9353.1 Ų53.144%0.43527%0.266SS..  trans-108.8126.7-172.5-77.1175.4-168.300109S869 K1032S869-E1034 PolarHBondContact N-O 3.15Å; S869-E1034 VanDerWaalsContact N-O 3.14Å; S869-E1034 PolarHBondContact OG-N 3.45Å; S869-E1034 VanDerWaalsContact OG-N 3.1Å; K1032-E1034 VanDerWaalsContact C-N 3.26Å; K1032-E1034 HydrophobicContact CB-CG 4.08Å; K1032-E1034 WeakPolarHBondContact O-CG 3.41Å; K1032-E1034 PolarHBondContact O-N 3.18Å
1035Y84.6Confident79.8Confident33 Ų3355.1 Ų55.113%0.12928%0.279CS..EExtended strand (participates in β ladder)trans-85.7146.1170.3-69.3-97.2000108.7L866 Y867 K868 Y1046 I1056L866-Y1035 HydrophobicContact CD1-CD1 4.15Å; L866-Y1035 HydrophobicContact CD2-CD1 4.33Å; L866-Y1035 HydrophobicContact CG-CD1 4.33Å; Y867-Y1035 WeakPolarHBondContact O-CA 3.24Å; K868-Y1035 HydrophobicContact CB-CD1 4.03Å; K868-Y1035 HydrophobicContact CB-CE1 4.09Å; K868-Y1035 HydrophobicContact CD-CD1 4.47Å; K868-Y1035 HydrophobicContact CD-CE1 3.8Å; K868-Y1035 HydrophobicContact CD-CE2 4.31Å; K868-Y1035 HydrophobicContact CG-CD1 4.03Å; K868-Y1035 HydrophobicContact CG-CD2 4.49Å; K868-Y1035 HydrophobicContact CG-CE1 3.87Å; K868-Y1035 HydrophobicContact CG-CE2 4.33Å; K868-Y1035 HydrophobicContact CG-CG 4.37Å; Y1035-Y1046 WeakPolarHBondContact O-CB 3.43Å; Y1035-Y1046 PolarHBondContact O-N 3.06Å; Y1035-I1056 HydrophobicContact CD1-CD1 3.54Å; Y1035-I1056 HydrophobicContact CD1-CG1 3.76Å; Y1035-I1056 HydrophobicContact CD2-CD1 3.43Å; Y1035-I1056 VanDerWaalsContact CD2-CD1 3.43Å; Y1035-I1056 HydrophobicContact CD2-CG1 4.22Å; Y1035-I1056 HydrophobicContact CE1-CD1 3.92Å; Y1035-I1056 HydrophobicContact CE1-CG1 3.71Å; Y1035-I1056 HydrophobicContact CE2-CD1 3.84Å; Y1035-I1056 HydrophobicContact CE2-CG1 4.19Å; Y1035-I1056 HydrophobicContact CE2-CG2 4.29Å; Y1035-I1056 HydrophobicContact CG-CD1 3.25Å; Y1035-I1056 HydrophobicContact CG-CG1 4Å; Y1035-I1056 PolarHBondContact OH-O 3.25Å
1036E85.5Confident79.5Confident15 Ų1557.2 Ų57.27%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-146.4153.7174.665.7-174.7-171.400110.6Y867 Y1043 I1044 Y1064 K1079Y867-E1036 PolarHBondContact N-O 2.9Å; Y867-E1036 PolarHBondContact O-N 3.45Å; E1036-Y1043 HydrophobicContact CG-CD1 4.23Å; E1036-Y1043 WeakPolarHBondContact OE1-CD1 3.07Å; E1036-I1044 CarbonylContact C-O 3.54Å; E1036-I1044 VanDerWaalsContact CA-O 3.31Å; E1036-I1044 WeakPolarHBondContact CA-O 3.43Å; E1036-I1044 WeakPolarHBondContact CB-O 3.43Å; E1036-Y1064 HydrophobicContact CG-CE1 4.12Å; E1036-Y1064 VanDerWaalsContact OE1-CE1 3.3Å; E1036-Y1064 WeakPolarHBondContact OE1-CE1 2.99Å; E1036-Y1064 PolarHBondContact OE1-OH 2.89Å; E1036-K1079 IonicContact OE1-NZ 3.84Å; E1036-K1079 PolarHBondContact OE1-NZ 3.5Å; E1036-K1079 IonicContact OE2-NZ 3.88Å; E1036-K1079 PolarHBondContact OE2-NZ 3.48Å
1037W88.3Confident78.7Confident0 Ų058 Ų580%030%0.299CS..EExtended strand (participates in β ladder)trans-102.7128.3175.3-69.496.8000109.7L864 L866 I1044 Y1046 A1049 I1051 V1053 V1089 V1091L864-W1037 HydrophobicContact CB-CB 4.4Å; L864-W1037 HydrophobicContact CB-CD2 4.42Å; L864-W1037 HydrophobicContact CB-CE3 3.72Å; L864-W1037 HydrophobicContact CB-CZ3 4.39Å; L864-W1037 HydrophobicContact CD2-CB 3.99Å; L866-W1037 HydrophobicContact CB-CE3 4.28Å; L866-W1037 HydrophobicContact CB-CH2 4.26Å; L866-W1037 HydrophobicContact CB-CZ3 4Å; L866-W1037 HydrophobicContact CD1-CD2 4.16Å; L866-W1037 HydrophobicContact CD1-CE3 4.44Å; L866-W1037 HydrophobicContact CD1-CH2 4.3Å; L866-W1037 HydrophobicContact CD1-CZ2 3.97Å; W1037-I1044 PolarHBondContact N-O 3.17Å; W1037-I1044 PolarHBondContact O-N 2.98Å; W1037-Y1046 HydrophobicContact CZ2-CE2 4.49Å; W1037-Y1046 AromaticContact NE1-CD2 3.44Å; W1037-Y1046 AromaticContact NE1-CE2 3.79Å; W1037-A1049 HydrophobicContact CB-CB 4.06Å; W1037-A1049 HydrophobicContact CG-CB 3.91Å; W1037-I1051 HydrophobicContact CD2-CB 4.35Å; W1037-I1051 HydrophobicContact CD2-CD1 4.44Å; W1037-I1051 HydrophobicContact CH2-CG2 3.74Å; W1037-I1051 HydrophobicContact CZ2-CB 3.81Å; W1037-I1051 HydrophobicContact CZ2-CG2 3.26Å; W1037-I1051 PolarHBondContact NE1-O 3.49Å; W1037-I1051 VanDerWaalsContact NE1-O 3.07Å; W1037-V1053 HydrophobicContact CH2-CG2 4.39Å; W1037-V1053 HydrophobicContact CZ2-CG2 4.03Å; W1037-V1089 HydrophobicContact CH2-CG1 3.88Å; W1037-V1089 HydrophobicContact CZ3-CG1 4.26Å; W1037-V1091 HydrophobicContact CH2-CB 4.27Å; W1037-V1091 HydrophobicContact CH2-CG2 3.47Å; W1037-V1091 VanDerWaalsContact CH2-CG2 3.47Å; W1037-V1091 HydrophobicContact CZ2-CG2 4.46Å; W1037-V1091 HydrophobicContact CZ3-CB 4.12Å; W1037-V1091 HydrophobicContact CZ3-CG2 3.73Å
1038K85.9Confident78.1Confident40 Ų4061.9 Ų61.917%0.17432%0.32CS..EExtended strand (participates in β ladder)trans-93.2120.9173.5-178.7-173.6173.8-173.30109.9L864 V865 Y867 G1040 K1042 Y1043 E1085L864-K1038 VanDerWaalsContact CA-O 3.27Å; L864-K1038 WeakPolarHBondContact CA-O 3.47Å; V865-K1038 PolarHBondContact N-O 3.23Å; V865-K1038 PolarHBondContact O-N 3.19Å; Y867-K1038 HydrophobicContact CD2-CB 3.64Å; Y867-K1038 HydrophobicContact CD2-CD 4.42Å; Y867-K1038 HydrophobicContact CE2-CB 3.45Å; Y867-K1038 VanDerWaalsContact CE2-CB 3.45Å; Y867-K1038 HydrophobicContact CE2-CD 3.48Å; Y867-K1038 VanDerWaalsContact CE2-CD 3.48Å; Y867-K1038 HydrophobicContact CE2-CG 4.11Å; Y867-K1038 WeakPolarHBondContact OH-CD 3.35Å; K1038-G1040 WeakPolarHBondContact CE-O 3.35Å; K1038-G1040 WeakPolarHBondContact CG-O 3.37Å; K1038-K1042 CarbonylContact C-O 3.58Å; K1038-K1042 WeakPolarHBondContact CA-O 3.2Å; K1038-Y1043 HydrophobicContact CB-CD1 4.05Å; K1038-Y1043 HydrophobicContact CB-CE1 3.89Å; K1038-Y1043 HydrophobicContact CD-CE1 3.9Å; K1038-Y1043 HydrophobicContact CG-CD1 4.28Å; K1038-Y1043 HydrophobicContact CG-CE1 3.84Å; K1038-Y1043 HydrophobicContact CG-CE2 4.48Å; K1038-E1085 WeakPolarHBondContact CD-OE1 3.4Å; K1038-E1085 IonicContact NZ-OE1 3.83Å; K1038-E1085 PolarHBondContact NZ-OE1 2.89Å
1039N84.1Confident77.8Confident16 Ų1658.8 Ų58.89%0.08630%0.304CS..EExtended strand (participates in β ladder)trans-115.5106.8169.5-178.30.1000109.8S858 D862 L864 D1041 K1042 I1044S858-N1039 WeakPolarHBondContact CA-ND2 3.27Å; S858-N1039 WeakPolarHBondContact CB-ND2 3.32Å; S858-N1039 PolarHBondContact OG-ND2 3.47Å; D862-N1039 VanDerWaalsContact CB-OD1 3.32Å; D862-N1039 WeakPolarHBondContact CB-OD1 3.01Å; D862-N1039 PolarHBondContact OD2-ND2 2.9Å; D862-N1039 PolarHBondContact OD2-OD1 2.91Å; L864-N1039 HydrophobicContact CD2-CB 4.37Å; L864-N1039 HydrophobicContact CG-CB 4.06Å; N1039-D1041 PolarHBondContact O-N 3.43Å; N1039-K1042 PolarHBondContact N-O 2.91Å; N1039-K1042 WeakPolarHBondContact O-CB 3.44Å; N1039-K1042 PolarHBondContact O-N 3.35Å; N1039-I1044 HydrophobicContact CB-CD1 4.17Å
1040G78.7Confident77.7Confident48 Ų4858.3 Ų58.350%0.49530%0.302SS..THydrogen-bonded Turntrans59-120.9-173.200000110.8K1038K1038-G1040 WeakPolarHBondContact CE-O 3.35Å; K1038-G1040 WeakPolarHBondContact CG-O 3.37Å
1041D73.3Confident78.4Confident160 Ų16051.8 Ų51.886%0.85627%0.272SS*.THydrogen-bonded Turntrans-91.40.1175-62.9-36.4000113.5N1039N1039-D1041 PolarHBondContact O-N 3.43Å
1042K77Confident79.2Confident140 Ų14053.9 Ų53.961%0.60928%0.282SS*.EExtended strand (participates in β ladder)trans-98.6141.6-177.6-65.2-176.9179.9-179.30111.8K1038 N1039K1038-K1042 CarbonylContact C-O 3.58Å; K1038-K1042 WeakPolarHBondContact CA-O 3.2Å; N1039-K1042 PolarHBondContact N-O 2.91Å; N1039-K1042 WeakPolarHBondContact O-CB 3.44Å; N1039-K1042 PolarHBondContact O-N 3.35Å
1043Y79.5Confident80.4Confident73 Ų7346.8 Ų46.829%0.28625%0.252SS..EExtended strand (participates in β ladder)trans-114.7126.1175.8-65.8-95.6000109.2Y867 E1036 K1038 Y1081Y867-Y1043 HydrophobicContact CD1-CE1 4.23Å; Y867-Y1043 HydrophobicContact CD2-CE1 4.44Å; Y867-Y1043 HydrophobicContact CE1-CE1 4.26Å; Y867-Y1043 HydrophobicContact CG-CE1 4.32Å; E1036-Y1043 HydrophobicContact CG-CD1 4.23Å; E1036-Y1043 WeakPolarHBondContact OE1-CD1 3.07Å; K1038-Y1043 HydrophobicContact CB-CD1 4.05Å; K1038-Y1043 HydrophobicContact CB-CE1 3.89Å; K1038-Y1043 HydrophobicContact CD-CE1 3.9Å; K1038-Y1043 HydrophobicContact CG-CD1 4.28Å; K1038-Y1043 HydrophobicContact CG-CE1 3.84Å; K1038-Y1043 HydrophobicContact CG-CE2 4.48Å; Y1043-Y1081 AromaticContact CE1-CE1 3.77Å; Y1043-Y1081 HydrophobicContact CE1-CE1 3.77Å; Y1043-Y1081 AromaticContact CE1-CZ 3.65Å; Y1043-Y1081 WeakPolarHBondContact CE1-OH 3.41Å; Y1043-Y1081 WeakPolarHBondContact CE2-OH 3.37Å; Y1043-Y1081 AromaticContact CZ-CZ 3.5Å; Y1043-Y1081 VanDerWaalsContact CZ-CZ 3.5Å; Y1043-Y1081 WeakPolarHBondContact OH-CE2 3.49Å; Y1043-Y1081 PolarHBondContact OH-OH 3.33Å
1044I81Confident81.4Confident7 Ų749.2 Ų49.24%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-117.5123.6-172.9-50.9163.2000108.1D857 L864 E1036 W1037 N1039 D1048 A1049D857-I1044 HydrophobicContact CB-CD1 3.62Å; D857-I1044 HydrophobicContact CB-CG1 4.05Å; D857-I1044 HydrophobicContact CB-CG2 4.39Å; L864-I1044 HydrophobicContact CD2-CD1 4.32Å; E1036-I1044 CarbonylContact C-O 3.54Å; E1036-I1044 VanDerWaalsContact CA-O 3.31Å; E1036-I1044 WeakPolarHBondContact CA-O 3.43Å; E1036-I1044 WeakPolarHBondContact CB-O 3.43Å; W1037-I1044 PolarHBondContact N-O 3.17Å; W1037-I1044 PolarHBondContact O-N 2.98Å; N1039-I1044 HydrophobicContact CB-CD1 4.17Å; I1044-D1048 HydrophobicContact CG2-CB 4.26Å; I1044-A1049 HydrophobicContact CB-CB 4.21Å; I1044-A1049 HydrophobicContact CG2-CB 3.78Å
1045P79.7Confident81.8Confident63 Ų6347 Ų4741%0.40926%0.262SS..EExtended strand (participates in β ladder)trans-53142.5176.2-26.134.4000111.7S1047 D1048 A1049P1045-S1047 PolarHBondContact O-N 2.83Å; P1045-S1047 VanDerWaalsContact O-N 3.16Å; P1045-D1048 HydrophobicContact CB-CB 4.29Å; P1045-D1048 PolarHBondContact O-N 2.58Å; P1045-A1049 PolarHBondContact O-N 3.5Å
1046Y83.4Confident81.7Confident44 Ų4447.2 Ų47.217%0.17327%0.265CS..THydrogen-bonded Turntrans-55.1-38-175.5-179.4-92.5000113.8L866 Y1035 W1037 D1048 I1051 N1052 V1053 I1056L866-Y1046 HydrophobicContact CD1-CD2 4.35Å; Y1035-Y1046 WeakPolarHBondContact O-CB 3.43Å; Y1035-Y1046 PolarHBondContact O-N 3.06Å; W1037-Y1046 HydrophobicContact CZ2-CE2 4.49Å; W1037-Y1046 AromaticContact NE1-CD2 3.44Å; W1037-Y1046 AromaticContact NE1-CE2 3.79Å; Y1046-D1048 PolarHBondContact O-N 2.83Å; Y1046-I1051 WeakPolarHBondContact CE2-O 3.17Å; Y1046-N1052 WeakPolarHBondContact OH-CA 3.44Å; Y1046-V1053 PolarHBondContact OH-N 3.04Å; Y1046-V1053 PolarHBondContact OH-O 2.69Å; Y1046-I1056 HydrophobicContact CD1-CD1 4.14Å; Y1046-I1056 HydrophobicContact CD2-CD1 3.57Å; Y1046-I1056 HydrophobicContact CE1-CD1 3.81Å; Y1046-I1056 HydrophobicContact CE2-CD1 3.19Å; Y1046-I1056 HydrophobicContact CE2-CG1 3.94Å; Y1046-I1056 HydrophobicContact CG-CD1 4.02Å
1047S76.3Confident81.1Confident73 Ų7351 Ų5151%0.5129%0.293SS..THydrogen-bonded Turntrans-65.6-25.8176.954.90000114.2P1045P1045-S1047 PolarHBondContact O-N 2.83Å; P1045-S1047 VanDerWaalsContact O-N 3.16Å
1048D78.8Confident80.6Confident82 Ų8257.4 Ų57.444%0.43932%0.323SS..THydrogen-bonded Turntrans-102-23.1-167.6-620.1000111.4I1044 P1045 Y1046 G1050I1044-D1048 HydrophobicContact CG2-CB 4.26Å; P1045-D1048 HydrophobicContact CB-CB 4.29Å; P1045-D1048 PolarHBondContact O-N 2.58Å; Y1046-D1048 PolarHBondContact O-N 2.83Å; D1048-G1050 PolarHBondContact O-N 2.8Å
1049A82.6Confident80.5Confident1 Ų156 Ų561%0.00832%0.319CS..SBendtrans-68-18.6-179.100000114.3F854 W1037 I1044 P1045 I1051F854-A1049 WeakPolarHBondContact CA-O 3.4Å; W1037-A1049 HydrophobicContact CB-CB 4.06Å; W1037-A1049 HydrophobicContact CG-CB 3.91Å; I1044-A1049 HydrophobicContact CB-CB 4.21Å; I1044-A1049 HydrophobicContact CG2-CB 3.78Å; P1045-A1049 PolarHBondContact O-N 3.5Å; A1049-I1051 PolarHBondContact O-N 3Å
1050G82.4Confident80.5Confident1 Ų159.8 Ų59.81%0.0134%0.339CS..SBendtrans725.4-173.200000114.4V849 E850 D1048V849-G1050 CarbonylContact C-O 3.58Å; V849-G1050 WeakPolarHBondContact CA-O 3.49Å; E850-G1050 PolarHBondContact N-O 3.25Å; D1048-G1050 PolarHBondContact O-N 2.8Å
1051I88.5Confident80.8Confident0 Ų059.1 Ų59.10%033%0.327CS..EExtended strand (participates in β ladder)trans-108111.4179.1-52.8-176.5000109.3V847 S848 V849 F854 L864 W1037 Y1046 A1049 V1091V847-I1051 HydrophobicContact CG1-CG2 3.84Å; S848-I1051 WeakPolarHBondContact O-CA 3.44Å; V849-I1051 HydrophobicContact CG1-CG1 4.47Å; V849-I1051 HydrophobicContact CG2-CG1 4.29Å; V849-I1051 HydrophobicContact CG2-CG2 4.38Å; F854-I1051 HydrophobicContact CD2-CD1 3.99Å; F854-I1051 HydrophobicContact CD2-CG1 4.14Å; F854-I1051 HydrophobicContact CE2-CD1 4.05Å; L864-I1051 HydrophobicContact CB-CD1 4.19Å; L864-I1051 HydrophobicContact CD2-CD1 3.75Å; L864-I1051 HydrophobicContact CG-CD1 4.36Å; W1037-I1051 HydrophobicContact CD2-CB 4.35Å; W1037-I1051 HydrophobicContact CD2-CD1 4.44Å; W1037-I1051 HydrophobicContact CH2-CG2 3.74Å; W1037-I1051 HydrophobicContact CZ2-CB 3.81Å; W1037-I1051 HydrophobicContact CZ2-CG2 3.26Å; W1037-I1051 PolarHBondContact NE1-O 3.49Å; W1037-I1051 VanDerWaalsContact NE1-O 3.07Å; Y1046-I1051 WeakPolarHBondContact CE2-O 3.17Å; A1049-I1051 PolarHBondContact O-N 3Å; I1051-V1091 HydrophobicContact CD1-CB 4.08Å; I1051-V1091 HydrophobicContact CD1-CG1 3.96Å; I1051-V1091 HydrophobicContact CG2-CB 4.33Å; I1051-V1091 HydrophobicContact CG2-CG1 4.23Å; I1051-V1091 HydrophobicContact CG2-CG2 4.05Å
1052N86.5Confident81.4Confident45 Ų4551.9 Ų51.924%0.24129%0.288CS..EExtended strand (participates in β ladder)trans-109.3133.1-178.8-62-66000111.1V847 S848 Y1046V847-N1052 CarbonylContact C-O 3.54Å; V847-N1052 WeakPolarHBondContact CA-O 3.23Å; S848-N1052 PolarHBondContact N-O 3.47Å; S848-N1052 PolarHBondContact O-N 3.35Å; Y1046-N1052 WeakPolarHBondContact OH-CA 3.44Å
1053V86.4Confident81.5Confident7 Ų749.2 Ų49.24%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-106.9117171.5-176.20000109I842 K846 V847 W1037 Y1046 V1055 I1056 A1059I842-V1053 HydrophobicContact CD1-CG1 3.38Å; I842-V1053 HydrophobicContact CD1-CG2 4.37Å; K846-V1053 CarbonylContact O-C 3.57Å; K846-V1053 VanDerWaalsContact O-CA 3.3Å; K846-V1053 WeakPolarHBondContact O-CA 3.35Å; V847-V1053 HydrophobicContact CG2-CG2 4.4Å; W1037-V1053 HydrophobicContact CH2-CG2 4.39Å; W1037-V1053 HydrophobicContact CZ2-CG2 4.03Å; Y1046-V1053 PolarHBondContact OH-N 3.04Å; Y1046-V1053 PolarHBondContact OH-O 2.69Å; V1053-V1055 PolarHBondContact O-N 3.18Å; V1053-V1055 VanDerWaalsContact O-N 3.14Å; V1053-I1056 HydrophobicContact CB-CB 4.22Å; V1053-I1056 HydrophobicContact CB-CG1 4.33Å; V1053-I1056 PolarHBondContact O-N 3.41Å; V1053-A1059 HydrophobicContact CG1-CB 4.29Å
1054S77.5Confident81.6Confident93 Ų9345.8 Ų45.865%0.6526%0.264SS*.THydrogen-bonded Turntrans-61.2-25.5-174.857.80000113.9K846K846-S1054 PolarHBondContact O-N 3.24Å; K846-S1054 PolarHBondContact O-OG 3.44Å
1055V78Confident81.5Confident47 Ų4746.9 Ų46.929%0.28527%0.27SS..THydrogen-bonded Turntrans-128.454.8177.6-155.50000110.4V1053 S1057 E1058V1053-V1055 PolarHBondContact O-N 3.18Å; V1053-V1055 VanDerWaalsContact O-N 3.14Å; V1055-S1057 PolarHBondContact O-N 3.16Å; V1055-E1058 HydrophobicContact CG1-CB 4.12Å; V1055-E1058 VanDerWaalsContact CG1-CD 3.43Å; V1055-E1058 HydrophobicContact CG1-CG 3.72Å; V1055-E1058 PolarHBondContact O-N 2.96Å
1056I81.9Confident81.6Confident37 Ų3744.4 Ų44.419%0.1925%0.253CS..G310 helixtrans-54.2-27.8-174-159.6-174.4000114.2Y1035 Y1046 V1053 E1058 A1059Y1035-I1056 HydrophobicContact CD1-CD1 3.54Å; Y1035-I1056 HydrophobicContact CD1-CG1 3.76Å; Y1035-I1056 HydrophobicContact CD2-CD1 3.43Å; Y1035-I1056 VanDerWaalsContact CD2-CD1 3.43Å; Y1035-I1056 HydrophobicContact CD2-CG1 4.22Å; Y1035-I1056 HydrophobicContact CE1-CD1 3.92Å; Y1035-I1056 HydrophobicContact CE1-CG1 3.71Å; Y1035-I1056 HydrophobicContact CE2-CD1 3.84Å; Y1035-I1056 HydrophobicContact CE2-CG1 4.19Å; Y1035-I1056 HydrophobicContact CE2-CG2 4.29Å; Y1035-I1056 HydrophobicContact CG-CD1 3.25Å; Y1035-I1056 HydrophobicContact CG-CG1 4Å; Y1035-I1056 PolarHBondContact OH-O 3.25Å; Y1046-I1056 HydrophobicContact CD1-CD1 4.14Å; Y1046-I1056 HydrophobicContact CD2-CD1 3.57Å; Y1046-I1056 HydrophobicContact CE1-CD1 3.81Å; Y1046-I1056 HydrophobicContact CE2-CD1 3.19Å; Y1046-I1056 HydrophobicContact CE2-CG1 3.94Å; Y1046-I1056 HydrophobicContact CG-CD1 4.02Å; V1053-I1056 HydrophobicContact CB-CB 4.22Å; V1053-I1056 HydrophobicContact CB-CG1 4.33Å; V1053-I1056 PolarHBondContact O-N 3.41Å; I1056-E1058 PolarHBondContact O-N 3.02Å; I1056-A1059 WeakPolarHBondContact O-CB 3.2Å; I1056-A1059 PolarHBondContact O-N 3.43Å
1057S74.3Confident81.5Confident95 Ų9547.6 Ų47.666%0.66427%0.269SS*.G310 helixtrans-65.4-24.517753.70000113.8V1055V1055-S1057 PolarHBondContact O-N 3.16Å
1058E77.8Confident82Confident134 Ų13446.9 Ų46.963%0.62626%0.257SS*.G310 helixtrans-96.9-4.8178.6-65.1177.6-175.900112.9K846 V1055 I1056K846-E1058 IonicContact NZ-OE2 2.91Å; V1055-E1058 HydrophobicContact CG1-CB 4.12Å; V1055-E1058 VanDerWaalsContact CG1-CD 3.43Å; V1055-E1058 HydrophobicContact CG1-CG 3.72Å; V1055-E1058 PolarHBondContact O-N 2.96Å; I1056-E1058 PolarHBondContact O-N 3.02Å
1059A82.8Confident82.1Confident11 Ų1145.2 Ų45.29%0.09125%0.25CC..SBendtrans-76.7129.1-177.100000111.4I842 L866 V1053 I1056 C1061 V1089I842-A1059 HydrophobicContact CD1-CB 4.46Å; L866-A1059 HydrophobicContact CD2-CB 3.66Å; V1053-A1059 HydrophobicContact CG1-CB 4.29Å; I1056-A1059 WeakPolarHBondContact O-CB 3.2Å; I1056-A1059 PolarHBondContact O-N 3.43Å; A1059-C1061 PolarHBondContact O-N 2.96Å; A1059-V1089 HydrophobicContact CB-CG2 3.89Å
1060N83.9Confident82.3Confident95 Ų9549.9 Ų49.951%0.50827%0.27SS..  trans-63.5130.1171.6-73.9-19.3000110.1N1087 A1088 V1089N1060-N1087 WeakPolarHBondContact CB-O 3.41Å; N1060-N1087 PolarHBondContact ND2-O 3.12Å; N1060-A1088 WeakPolarHBondContact O-CA 3.33Å; N1060-V1089 WeakPolarHBondContact O-CG2 3.14Å; N1060-V1089 PolarHBondContact O-N 2.99Å
1061C85Confident82.1Confident34 Ų3455.1 Ų55.123%0.2330%0.297CS..  trans-140.4159.3-178.248.50000110.7L866 K868 A1059L866-C1061 HydrophobicContact CB-CB 4.35Å; L866-C1061 HydrophobicContact CD2-CB 4.09Å; L866-C1061 HydrophobicContact CG-CB 3.93Å; L866-C1061 VanDerWaalsContact O-CA 3.3Å; L866-C1061 WeakPolarHBondContact O-CA 3.42Å; L866-C1061 WeakPolarHBondContact O-CB 3.46Å; K868-C1061 HydrophobicContact CB-CB 4.14Å; K868-C1061 VanDerWaalsContact CB-SG 3.52Å; A1059-C1061 PolarHBondContact O-N 2.96Å
1062I85.4Confident81.8Confident8 Ų857.7 Ų57.74%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-78121.7166.7-64.3-74.8000108.4L866 Y867 K868 Y1081 T1084 E1085 A1088L866-I1062 PolarHBondContact O-N 2.83Å; Y867-I1062 CarbonylContact C-O 3.6Å; Y867-I1062 WeakPolarHBondContact CA-O 3.35Å; Y867-I1062 HydrophobicContact CD1-CB 3.52Å; Y867-I1062 HydrophobicContact CD1-CG1 4.45Å; Y867-I1062 HydrophobicContact CD1-CG2 3.55Å; Y867-I1062 HydrophobicContact CD2-CB 4.41Å; Y867-I1062 HydrophobicContact CE1-CB 3.47Å; Y867-I1062 VanDerWaalsContact CE1-CB 3.47Å; Y867-I1062 HydrophobicContact CE1-CG1 4.02Å; Y867-I1062 HydrophobicContact CE1-CG2 3.27Å; Y867-I1062 HydrophobicContact CE2-CB 4.36Å; Y867-I1062 HydrophobicContact CE2-CG1 4.34Å; Y867-I1062 HydrophobicContact CG-CB 4.02Å; K868-I1062 PolarHBondContact N-O 3.17Å; I1062-Y1081 HydrophobicContact CG2-CD1 4.19Å; I1062-T1084 VanDerWaalsContact CD1-O 3.32Å; I1062-T1084 WeakPolarHBondContact CD1-O 3.21Å; I1062-E1085 HydrophobicContact CD1-CG 4.38Å; I1062-E1085 HydrophobicContact CG1-CG 4.25Å; I1062-A1088 HydrophobicContact CG1-CB 4.02Å
1063E79.2Confident81.6Confident83 Ų8360.7 Ų60.739%0.38834%0.34SS..EExtended strand (participates in β ladder)trans-80138.8171-68.1-168.5166.600111.2K868 T1082K868-E1063 CarbonylContact O-C 3.6Å; K868-E1063 VanDerWaalsContact O-CA 3.27Å; K868-E1063 WeakPolarHBondContact O-CA 3.34Å; E1063-T1082 PolarHBondContact O-N 3.41Å; E1063-T1082 PolarHBondContact O-OG1 2.89Å
1064Y81.8Confident81.6Confident1 Ų165.6 Ų65.60%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-127.2147.9168.463.5-90.2000112.5Y867 K868 K870 E1036 Y1066 K1079 V1080 Y1081Y867-Y1064 HydrophobicContact CD1-CD1 4.16Å; K868-Y1064 VanDerWaalsContact O-CD1 3.26Å; K868-Y1064 WeakPolarHBondContact O-CD1 3.32Å; K868-Y1064 PolarHBondContact O-N 2.82Å; K870-Y1064 PolarHBondContact N-O 2.76Å; E1036-Y1064 HydrophobicContact CG-CE1 4.12Å; E1036-Y1064 VanDerWaalsContact OE1-CE1 3.3Å; E1036-Y1064 WeakPolarHBondContact OE1-CE1 2.99Å; E1036-Y1064 PolarHBondContact OE1-OH 2.89Å; Y1064-Y1066 HydrophobicContact CD2-CE2 4.22Å; Y1064-Y1066 HydrophobicContact CE2-CE1 4.43Å; Y1064-Y1066 AromaticContact CE2-CE2 3.68Å; Y1064-Y1066 HydrophobicContact CE2-CE2 3.68Å; Y1064-Y1066 AromaticContact CE2-CZ 3.66Å; Y1064-K1079 HydrophobicContact CD2-CB 4.04Å; Y1064-K1079 HydrophobicContact CD2-CD 3.96Å; Y1064-K1079 HydrophobicContact CD2-CG 3.75Å; Y1064-K1079 HydrophobicContact CE2-CD 3.78Å; Y1064-K1079 HydrophobicContact CE2-CG 3.9Å; Y1064-V1080 VanDerWaalsContact CA-O 3.28Å; Y1064-V1080 WeakPolarHBondContact CA-O 3.16Å; Y1064-Y1081 VanDerWaalsContact CB-CD1 3.45Å; Y1064-Y1081 HydrophobicContact CD1-CD1 4.21Å; Y1064-Y1081 AromaticContact CD1-CE1 3.92Å; Y1064-Y1081 HydrophobicContact CD1-CE1 3.92Å; Y1064-Y1081 HydrophobicContact CG-CD1 4.09Å; Y1064-Y1081 AromaticContact CG-CE1 3.9Å; Y1064-Y1081 HydrophobicContact CG-CE1 3.9Å
1065D79.2Confident82.1Confident31 Ų3162.8 Ų62.817%0.16633%0.333CS..EExtended strand (participates in β ladder)trans-109.7155.1174-131.5-29.1000107.9K870 K873 Y875 V1080K870-D1065 IonicContact NZ-OD2 3.66Å; K873-D1065 WeakPolarHBondContact CD-OD1 3.15Å; K873-D1065 IonicContact NZ-OD1 2.69Å; K873-D1065 PolarHBondContact NZ-OD1 2.82Å; K873-D1065 VanDerWaalsContact NZ-OD1 3.09Å; K873-D1065 IonicContact NZ-OD2 2.71Å; K873-D1065 PolarHBondContact NZ-OD2 2.84Å; Y875-D1065 WeakPolarHBondContact CE1-OD1 3.35Å; Y875-D1065 PolarHBondContact OH-OD1 3.4Å; D1065-V1080 PolarHBondContact N-O 3.19Å; D1065-V1080 PolarHBondContact O-N 3.02Å
1066Y81.5Confident82.6Confident11 Ų1160.7 Ų60.74%0.04332%0.321CS..EExtended strand (participates in β ladder)trans-94.7137.4170.1-69.7-85.8000110.6Y875 I919 Y1029 Y1064 F1077 K1079Y875-Y1066 WeakPolarHBondContact CD1-O 3.23Å; Y875-Y1066 HydrophobicContact CD2-CD2 4.11Å; Y875-Y1066 HydrophobicContact CD2-CG 4.36Å; Y875-Y1066 VanDerWaalsContact CE1-N 3.3Å; Y875-Y1066 WeakPolarHBondContact CE1-O 3.48Å; Y875-Y1066 AromaticContact CE2-CD2 3.62Å; Y875-Y1066 HydrophobicContact CE2-CD2 3.62Å; Y875-Y1066 HydrophobicContact CE2-CG 4.22Å; Y875-Y1066 AromaticContact CZ-CD2 3.86Å; I919-Y1066 HydrophobicContact CD1-CD1 3.82Å; I919-Y1066 HydrophobicContact CD1-CE1 3.4Å; Y1029-Y1066 HydrophobicContact CD1-CD2 4.07Å; Y1029-Y1066 HydrophobicContact CD1-CE2 4.25Å; Y1029-Y1066 HydrophobicContact CD1-CG 4.21Å; Y1029-Y1066 HydrophobicContact CE1-CD1 4.37Å; Y1029-Y1066 AromaticContact CE1-CD2 3.68Å; Y1029-Y1066 HydrophobicContact CE1-CD2 3.68Å; Y1029-Y1066 HydrophobicContact CE1-CE1 4.15Å; Y1029-Y1066 AromaticContact CE1-CE2 3.41Å; Y1029-Y1066 HydrophobicContact CE1-CE2 3.41Å; Y1029-Y1066 VanDerWaalsContact CE1-CE2 3.41Å; Y1029-Y1066 HydrophobicContact CE1-CG 4.14Å; Y1029-Y1066 AromaticContact CE1-CZ 3.62Å; Y1064-Y1066 HydrophobicContact CD2-CE2 4.22Å; Y1064-Y1066 HydrophobicContact CE2-CE1 4.43Å; Y1064-Y1066 AromaticContact CE2-CE2 3.68Å; Y1064-Y1066 HydrophobicContact CE2-CE2 3.68Å; Y1064-Y1066 AromaticContact CE2-CZ 3.66Å; Y1066-F1077 HydrophobicContact CD1-CB 3.96Å; Y1066-F1077 HydrophobicContact CG-CB 4.48Å; Y1066-K1079 HydrophobicContact CD1-CG 4.03Å; Y1066-K1079 HydrophobicContact CE1-CD 4.33Å; Y1066-K1079 HydrophobicContact CE1-CG 3.48Å; Y1066-K1079 VanDerWaalsContact CE1-CG 3.48Å; Y1066-K1079 VanDerWaalsContact OH-CE 3.3Å; Y1066-K1079 WeakPolarHBondContact OH-CE 3.47Å
1067Q82.4Confident82.8Confident111 Ų11159.2 Ų59.252%0.51931%0.313SS..EExtended strand (participates in β ladder)trans-123.4132.1169.7-77.4-171.8-11.200110.2V1069 F1077 N1078 V1080Q1067-V1069 PolarHBondContact O-N 2.65Å; Q1067-F1077 WeakPolarHBondContact O-CA 3.25Å; Q1067-N1078 PolarHBondContact N-O 2.88Å; Q1067-N1078 PolarHBondContact O-N 3.13Å; Q1067-V1080 HydrophobicContact CB-CG2 3.99Å; Q1067-V1080 HydrophobicContact CG-CG2 3.91Å
1068F85.2Confident83Confident57 Ų5757.8 Ų57.825%0.2530%0.298CS..EExtended strand (participates in β ladder)trans-69.4121.5170.6-176.9-107.8000109.4G877 V879 F1027 Y1075 G1076 F1077G877-F1068 VanDerWaalsContact CA-CG 3.47Å; V879-F1068 HydrophobicContact CG2-CZ 3.81Å; F1027-F1068 HydrophobicContact CB-CD2 4.27Å; F1027-F1068 HydrophobicContact CB-CE2 3.97Å; F1027-F1068 HydrophobicContact CD1-CE2 4.06Å; F1027-F1068 AromaticContact CD2-CE2 3.91Å; F1027-F1068 HydrophobicContact CD2-CE2 3.91Å; F1027-F1068 HydrophobicContact CD2-CZ 4.13Å; F1027-F1068 HydrophobicContact CE2-CE2 4.47Å; F1027-F1068 HydrophobicContact CG-CD2 4.46Å; F1027-F1068 AromaticContact CG-CE2 3.71Å; F1027-F1068 HydrophobicContact CG-CE2 3.71Å; F1027-F1068 HydrophobicContact CG-CZ 4.39Å; F1068-Y1075 HydrophobicContact CE1-CD1 4.26Å; F1068-Y1075 AromaticContact CZ-CD1 3.77Å; F1068-Y1075 HydrophobicContact CZ-CD1 3.77Å; F1068-Y1075 HydrophobicContact CZ-CG 4.38Å; F1068-G1076 WeakPolarHBondContact CA-O 3.19Å; F1068-G1076 WeakPolarHBondContact CD2-O 3.44Å; F1068-F1077 HydrophobicContact CB-CD1 4.03Å; F1068-F1077 HydrophobicContact CB-CE1 3.83Å; F1068-F1077 HydrophobicContact CD2-CD1 4.47Å; F1068-F1077 HydrophobicContact CD2-CE1 4.23Å; F1068-F1077 HydrophobicContact CD2-CZ 4.42Å
1069V82.5Confident83.1Confident47 Ų4754.2 Ų54.229%0.28528%0.281SS..EExtended strand (participates in β ladder)trans-137.1153-179.1-76.20000110.8Q1067 G1076 N1078Q1067-V1069 PolarHBondContact O-N 2.65Å; V1069-G1076 PolarHBondContact N-O 2.76Å; V1069-G1076 PolarHBondContact O-N 3.48Å; V1069-N1078 HydrophobicContact CG2-CB 3.55Å; V1069-N1078 WeakPolarHBondContact CG2-ND2 3.33Å
1070K85.5Confident82.7Confident100 Ų10056.3 Ų56.344%0.43529%0.292SS..EExtended strand (participates in β ladder)trans-99.2103.9165.6-170.7-164.7-174.3-134.10107.6G1072 D1073 R1074 Y1075K1070-G1072 WeakPolarHBondContact CD-O 3.48Å; K1070-G1072 WeakPolarHBondContact CE-O 3.39Å; K1070-G1072 WeakPolarHBondContact CG-O 3.19Å; K1070-G1072 PolarHBondContact NZ-O 3.34Å; K1070-D1073 IonicContact NZ-OD1 2.76Å; K1070-D1073 PolarHBondContact NZ-OD1 3.04Å; K1070-R1074 CarbonylContact C-O 3.52Å; K1070-R1074 VanDerWaalsContact CA-O 3.31Å; K1070-R1074 WeakPolarHBondContact CA-O 3.43Å; K1070-Y1075 HydrophobicContact CB-CD1 4.04Å; K1070-Y1075 HydrophobicContact CB-CE1 3.9Å; K1070-Y1075 HydrophobicContact CD-CE1 3.9Å; K1070-Y1075 HydrophobicContact CD-CE2 4.39Å; K1070-Y1075 WeakPolarHBondContact CE-OH 3.27Å; K1070-Y1075 HydrophobicContact CG-CD1 4.01Å; K1070-Y1075 HydrophobicContact CG-CE1 3.67Å; K1070-Y1075 HydrophobicContact CG-CE2 4.24Å; K1070-Y1075 HydrophobicContact CG-CG 4.47Å
1071D78.7Confident82.3Confident110 Ų11055.5 Ų55.559%0.58828%0.283SS*.EExtended strand (participates in β ladder)trans-96.1106.3175-170.618.6000109.9D1073 R1074D1071-D1073 PolarHBondContact O-N 3.37Å; D1071-D1073 VanDerWaalsContact O-N 3.08Å; D1071-R1074 PolarHBondContact N-O 3.06Å; D1071-R1074 PolarHBondContact O-N 2.96Å
1072G83Confident81.5Confident54 Ų5457.4 Ų57.456%0.55729%0.293SS*.THydrogen-bonded Turntrans59.9-110.3-166.500000111.5K1070K1070-G1072 WeakPolarHBondContact CD-O 3.48Å; K1070-G1072 WeakPolarHBondContact CE-O 3.39Å; K1070-G1072 WeakPolarHBondContact CG-O 3.19Å; K1070-G1072 PolarHBondContact NZ-O 3.34Å
1073D81Confident80.8Confident109 Ų10960.4 Ų60.458%0.58333%0.327SS*.THydrogen-bonded Turntrans-1071.1175.7-71.4-38.4000114.3L915 K1070 D1071L915-D1073 HydrophobicContact CD1-CB 3.95Å; K1070-D1073 IonicContact NZ-OD1 2.76Å; K1070-D1073 PolarHBondContact NZ-OD1 3.04Å; D1071-D1073 PolarHBondContact O-N 3.37Å; D1071-D1073 VanDerWaalsContact O-N 3.08Å
1074R87Confident80.6Confident109 Ų10960.9 Ų60.941%0.41134%0.335SS..EExtended strand (participates in β ladder)trans-93.7139.1178.7-67.5174.9176.483.3-5111.5L915 D986 K1070 D1071L915-R1074 HydrophobicContact CB-CB 4.49Å; L915-R1074 HydrophobicContact CB-CG 3.88Å; L915-R1074 CarbonylContact O-C 3.49Å; L915-R1074 WeakPolarHBondContact O-CA 3.41Å; D986-R1074 VanDerWaalsContact CG-NE 3.28Å; D986-R1074 WeakPolarHBondContact OD1-CD 3.29Å; D986-R1074 IonicContact OD1-NE 3.09Å; D986-R1074 PolarHBondContact OD1-NE 2.98Å; D986-R1074 IonicContact OD2-CZ 2.77Å; D986-R1074 VanDerWaalsContact OD2-CZ 3.24Å; D986-R1074 IonicContact OD2-NE 3.55Å; D986-R1074 PolarHBondContact OD2-NE 2.75Å; D986-R1074 IonicContact OD2-NH2 2.88Å; D986-R1074 PolarHBondContact OD2-NH2 2.83Å; K1070-R1074 CarbonylContact C-O 3.52Å; K1070-R1074 VanDerWaalsContact CA-O 3.31Å; K1070-R1074 WeakPolarHBondContact CA-O 3.43Å; D1071-R1074 PolarHBondContact N-O 3.06Å; D1071-R1074 PolarHBondContact O-N 2.96Å
1075Y89Confident80.4Confident34 Ų3463.8 Ų63.813%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-108.6140.9173.8-63.6-93.3000110.2V879 K884 I914 L915 I916 S917 F1068 K1070V879-Y1075 HydrophobicContact CG1-CE1 4.25Å; V879-Y1075 HydrophobicContact CG1-CE2 4.44Å; V879-Y1075 HydrophobicContact CG2-CD1 3.45Å; V879-Y1075 VanDerWaalsContact CG2-CD1 3.45Å; V879-Y1075 HydrophobicContact CG2-CD2 4.32Å; V879-Y1075 HydrophobicContact CG2-CE1 3.74Å; V879-Y1075 HydrophobicContact CG2-CG 3.75Å; K884-Y1075 PolarHBondContact NZ-OH 3.01Å; I914-Y1075 HydrophobicContact CG2-CD2 3.78Å; I914-Y1075 HydrophobicContact CG2-CE2 4.34Å; L915-Y1075 PolarHBondContact O-N 3.09Å; I916-Y1075 CarbonylContact C-O 3.55Å; I916-Y1075 VanDerWaalsContact CA-O 3.29Å; I916-Y1075 WeakPolarHBondContact CA-O 3.24Å; S917-Y1075 PolarHBondContact N-O 2.95Å; F1068-Y1075 HydrophobicContact CE1-CD1 4.26Å; F1068-Y1075 AromaticContact CZ-CD1 3.77Å; F1068-Y1075 HydrophobicContact CZ-CD1 3.77Å; F1068-Y1075 HydrophobicContact CZ-CG 4.38Å; K1070-Y1075 HydrophobicContact CB-CD1 4.04Å; K1070-Y1075 HydrophobicContact CB-CE1 3.9Å; K1070-Y1075 HydrophobicContact CD-CE1 3.9Å; K1070-Y1075 HydrophobicContact CD-CE2 4.39Å; K1070-Y1075 WeakPolarHBondContact CE-OH 3.27Å; K1070-Y1075 HydrophobicContact CG-CD1 4.01Å; K1070-Y1075 HydrophobicContact CG-CE1 3.67Å; K1070-Y1075 HydrophobicContact CG-CE2 4.24Å; K1070-Y1075 HydrophobicContact CG-CG 4.47Å
1076G87.4Confident80.4Confident3 Ų367.2 Ų67.23%0.03137%0.367CS..EExtended strand (participates in β ladder)trans174.8-173.7179.100000111.9F1068 V1069F1068-G1076 WeakPolarHBondContact CA-O 3.19Å; F1068-G1076 WeakPolarHBondContact CD2-O 3.44Å; V1069-G1076 PolarHBondContact N-O 2.76Å; V1069-G1076 PolarHBondContact O-N 3.48Å
1077F85.6Confident80.4Confident7 Ų771.9 Ų71.93%0.03139%0.393CS..EExtended strand (participates in β ladder)trans-100.5123.2173.9-65.7-76.7000109.6Y875 I919 Q922 F1027 Y1029 Y1066 Q1067 F1068Y875-F1077 VanDerWaalsContact CB-CE1 3.44Å; Y875-F1077 WeakPolarHBondContact O-CZ 3.29Å; I919-F1077 HydrophobicContact CD1-CB 3.94Å; Q922-F1077 HydrophobicContact CG-CD2 4.22Å; Q922-F1077 HydrophobicContact CG-CE2 4.11Å; F1027-F1077 HydrophobicContact CB-CE2 3.96Å; F1027-F1077 HydrophobicContact CB-CZ 4.01Å; Y1029-F1077 HydrophobicContact CG-CD2 4.47Å; Y1066-F1077 HydrophobicContact CD1-CB 3.96Å; Y1066-F1077 HydrophobicContact CG-CB 4.48Å; Q1067-F1077 WeakPolarHBondContact O-CA 3.25Å; F1068-F1077 HydrophobicContact CB-CD1 4.03Å; F1068-F1077 HydrophobicContact CB-CE1 3.83Å; F1068-F1077 HydrophobicContact CD2-CD1 4.47Å; F1068-F1077 HydrophobicContact CD2-CE1 4.23Å; F1068-F1077 HydrophobicContact CD2-CZ 4.42Å
1078N78.3Confident80.7Confident65 Ų6566.7 Ų66.735%0.34837%0.369SS..EExtended strand (participates in β ladder)trans-100.2143.6171.5-73.76.5000110.1Q1067 V1069Q1067-N1078 PolarHBondContact N-O 2.88Å; Q1067-N1078 PolarHBondContact O-N 3.13Å; V1069-N1078 HydrophobicContact CG2-CB 3.55Å; V1069-N1078 WeakPolarHBondContact CG2-ND2 3.33Å
1079K79.9Confident80.9Confident59 Ų5964 Ų6426%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-73.4127.7173.5-65.7177.2177.3177.10109.8E1036 Y1064 Y1066 Y1081E1036-K1079 IonicContact OE1-NZ 3.84Å; E1036-K1079 PolarHBondContact OE1-NZ 3.5Å; E1036-K1079 IonicContact OE2-NZ 3.88Å; E1036-K1079 PolarHBondContact OE2-NZ 3.48Å; Y1064-K1079 HydrophobicContact CD2-CB 4.04Å; Y1064-K1079 HydrophobicContact CD2-CD 3.96Å; Y1064-K1079 HydrophobicContact CD2-CG 3.75Å; Y1064-K1079 HydrophobicContact CE2-CD 3.78Å; Y1064-K1079 HydrophobicContact CE2-CG 3.9Å; Y1066-K1079 HydrophobicContact CD1-CG 4.03Å; Y1066-K1079 HydrophobicContact CE1-CD 4.33Å; Y1066-K1079 HydrophobicContact CE1-CG 3.48Å; Y1066-K1079 VanDerWaalsContact CE1-CG 3.48Å; Y1066-K1079 VanDerWaalsContact OH-CE 3.3Å; Y1066-K1079 WeakPolarHBondContact OH-CE 3.47Å; K1079-Y1081 HydrophobicContact CB-CE1 4.22Å; K1079-Y1081 HydrophobicContact CB-CE2 3.96Å; K1079-Y1081 WeakPolarHBondContact CB-OH 3.36Å; K1079-Y1081 VanDerWaalsContact CD-OH 3.26Å; K1079-Y1081 WeakPolarHBondContact CD-OH 3.22Å
1080V75.1Confident81.3Confident55 Ų5564 Ų6433%0.33335%0.352SS..EExtended strand (participates in β ladder)trans-114.4109.7174.9-176.70000108.3Y1064 D1065 Q1067Y1064-V1080 VanDerWaalsContact CA-O 3.28Å; Y1064-V1080 WeakPolarHBondContact CA-O 3.16Å; D1065-V1080 PolarHBondContact N-O 3.19Å; D1065-V1080 PolarHBondContact O-N 3.02Å; Q1067-V1080 HydrophobicContact CB-CG2 3.99Å; Q1067-V1080 HydrophobicContact CG-CG2 3.91Å
1081Y75.8Confident81.4Confident78 Ų7859.3 Ų59.331%0.30633%0.331SS..EExtended strand (participates in β ladder)trans-84.1138.7-176-54.9-79.9000111.4Y867 Y1043 I1062 Y1064 K1079Y867-Y1081 AromaticContact CD1-CD1 3.4Å; Y867-Y1081 HydrophobicContact CD1-CD1 3.4Å; Y867-Y1081 AromaticContact CD1-CE1 3.41Å; Y867-Y1081 HydrophobicContact CD1-CE1 3.41Å; Y867-Y1081 VanDerWaalsContact CD1-CE1 3.41Å; Y867-Y1081 AromaticContact CE1-CD1 3.17Å; Y867-Y1081 HydrophobicContact CE1-CD1 3.17Å; Y867-Y1081 AromaticContact CE1-CE1 3.45Å; Y867-Y1081 HydrophobicContact CE1-CE1 3.45Å; Y867-Y1081 VanDerWaalsContact CE1-CE1 3.45Å; Y867-Y1081 HydrophobicContact CE1-CG 4.01Å; Y1043-Y1081 AromaticContact CE1-CE1 3.77Å; Y1043-Y1081 HydrophobicContact CE1-CE1 3.77Å; Y1043-Y1081 AromaticContact CE1-CZ 3.65Å; Y1043-Y1081 WeakPolarHBondContact CE1-OH 3.41Å; Y1043-Y1081 WeakPolarHBondContact CE2-OH 3.37Å; Y1043-Y1081 AromaticContact CZ-CZ 3.5Å; Y1043-Y1081 VanDerWaalsContact CZ-CZ 3.5Å; Y1043-Y1081 WeakPolarHBondContact OH-CE2 3.49Å; Y1043-Y1081 PolarHBondContact OH-OH 3.33Å; I1062-Y1081 HydrophobicContact CG2-CD1 4.19Å; Y1064-Y1081 VanDerWaalsContact CB-CD1 3.45Å; Y1064-Y1081 HydrophobicContact CD1-CD1 4.21Å; Y1064-Y1081 AromaticContact CD1-CE1 3.92Å; Y1064-Y1081 HydrophobicContact CD1-CE1 3.92Å; Y1064-Y1081 HydrophobicContact CG-CD1 4.09Å; Y1064-Y1081 AromaticContact CG-CE1 3.9Å; Y1064-Y1081 HydrophobicContact CG-CE1 3.9Å; K1079-Y1081 HydrophobicContact CB-CE1 4.22Å; K1079-Y1081 HydrophobicContact CB-CE2 3.96Å; K1079-Y1081 WeakPolarHBondContact CB-OH 3.36Å; K1079-Y1081 VanDerWaalsContact CD-OH 3.26Å; K1079-Y1081 WeakPolarHBondContact CD-OH 3.22Å
1082T68Low81.8Confident73 Ų7356.8 Ų56.845%0.44832%0.317SS..EExtended strand (participates in β ladder)trans-120.4126.817546.70000111E1063E1063-T1082 PolarHBondContact O-N 3.41Å; E1063-T1082 PolarHBondContact O-OG1 2.89Å
1083G69.7Low81.9Confident72 Ų7254.2 Ų54.274%0.74229%0.29SS*.SBendtrans107.7177.8-18000000113.5
1084T75.5Confident82.2Confident93 Ų9350.7 Ų50.757%0.57127%0.273SS*.  trans-108140.7175.734.40000110.5I1062 D1086I1062-T1084 VanDerWaalsContact CD1-O 3.32Å; I1062-T1084 WeakPolarHBondContact CD1-O 3.21Å; T1084-D1086 PolarHBondContact O-N 3.31Å
1085E78.5Confident82.1Confident62 Ų6249.9 Ų49.929%0.2928%0.277SS..G310 helixtrans-61.7-6.7-178.8-66.8-176.9162.400114.2V865 Y867 K1038 I1062 N1087 A1088 R1090V865-E1085 HydrophobicContact CG1-CB 4.32Å; V865-E1085 HydrophobicContact CG1-CG 4.28Å; Y867-E1085 WeakPolarHBondContact OH-CG 3.25Å; Y867-E1085 PolarHBondContact OH-OE1 3.4Å; K1038-E1085 WeakPolarHBondContact CD-OE1 3.4Å; K1038-E1085 IonicContact NZ-OE1 3.83Å; K1038-E1085 PolarHBondContact NZ-OE1 2.89Å; I1062-E1085 HydrophobicContact CD1-CG 4.38Å; I1062-E1085 HydrophobicContact CG1-CG 4.25Å; E1085-N1087 VanDerWaalsContact C-N 3.32Å; E1085-N1087 PolarHBondContact O-N 3.34Å; E1085-A1088 PolarHBondContact O-N 2.87Å; E1085-R1090 VanDerWaalsContact C-NH2 3.27Å; E1085-R1090 PolarHBondContact O-NE 3.23Å; E1085-R1090 VanDerWaalsContact O-NE 3.12Å; E1085-R1090 PolarHBondContact O-NH2 3.17Å
1086D79.1Confident81.9Confident102 Ų10253.2 Ų53.255%0.54529%0.289SS..G310 helixtrans-62.7-32.7-174.7-63.5-27.5000114.1N841 T1084 R1090N841-D1086 PolarHBondContact ND2-O 3.42Å; T1084-D1086 PolarHBondContact O-N 3.31Å; D1086-R1090 VanDerWaalsContact CA-NH2 3.29Å; D1086-R1090 IonicContact OD1-NH2 3.49Å; D1086-R1090 PolarHBondContact OD1-NH2 2.86Å
1087N81.7Confident81.6Confident109 Ų10955.1 Ų55.158%0.58330%0.3SS*.G310 helixtrans-101.9-6.1-176.9-65.7-24.5000113.9N841 N1060 E1085N841-N1087 VanDerWaalsContact ND2-C 3.32Å; N1060-N1087 WeakPolarHBondContact CB-O 3.41Å; N1060-N1087 PolarHBondContact ND2-O 3.12Å; E1085-N1087 VanDerWaalsContact C-N 3.32Å; E1085-N1087 PolarHBondContact O-N 3.34Å
1088A87.6Confident81.5Confident2 Ų259.9 Ų59.92%0.01732%0.318CS..SBendtrans-77.6151.5-178.400000111.3N841 V865 N1060 I1062 E1085 R1090N841-A1088 PolarHBondContact ND2-O 3.48Å; V865-A1088 HydrophobicContact CG1-CB 3.71Å; N1060-A1088 WeakPolarHBondContact O-CA 3.33Å; I1062-A1088 HydrophobicContact CG1-CB 4.02Å; E1085-A1088 PolarHBondContact O-N 2.87Å; A1088-R1090 WeakPolarHBondContact O-CG 3.39Å; A1088-R1090 PolarHBondContact O-N 3.39Å
1089V90.2Very high81.8Confident0 Ų057.4 Ų57.40%030%0.304CS..  trans-57.7125.8174.1171.50000109.3I842 V865 L866 W1037 A1059 N1060 V1091I842-V1089 HydrophobicContact CB-CG1 4.1Å; I842-V1089 HydrophobicContact CB-CG2 3.86Å; I842-V1089 HydrophobicContact CD1-CG2 4.22Å; I842-V1089 HydrophobicContact CG2-CG1 3.54Å; I842-V1089 HydrophobicContact CG2-CG2 4.26Å; V865-V1089 WeakPolarHBondContact CA-O 3.18Å; L866-V1089 HydrophobicContact CB-CB 3.96Å; L866-V1089 HydrophobicContact CD2-CB 4.18Å; L866-V1089 HydrophobicContact CD2-CG2 4.44Å; L866-V1089 PolarHBondContact N-O 3.08Å; W1037-V1089 HydrophobicContact CH2-CG1 3.88Å; W1037-V1089 HydrophobicContact CZ3-CG1 4.26Å; A1059-V1089 HydrophobicContact CB-CG2 3.89Å; N1060-V1089 WeakPolarHBondContact O-CG2 3.14Å; N1060-V1089 PolarHBondContact O-N 2.99Å; V1089-V1091 HydrophobicContact CG1-CG2 4.22Å
1090R89.8Confident81.7Confident49 Ų4957.1 Ų57.119%0.18531%0.313CS..EExtended strand (participates in β ladder)trans-117.3135.2173.2-46.7-168.5-174.5154-16.4110.1T839 E840 T863 L864 V865 E1085 D1086 A1088T839-R1090 CarbonylContact C-O 3.49Å; T839-R1090 VanDerWaalsContact CA-O 3.27Å; T839-R1090 WeakPolarHBondContact CA-O 3.44Å; E840-R1090 HydrophobicContact CB-CB 4.04Å; E840-R1090 HydrophobicContact CB-CG 4.37Å; E840-R1090 PolarHBondContact N-O 3.29Å; E840-R1090 PolarHBondContact O-N 3.35Å; E840-R1090 WeakPolarHBondContact OE2-CD 3.31Å; E840-R1090 IonicContact OE2-CZ 3.08Å; E840-R1090 IonicContact OE2-NE 2.97Å; E840-R1090 IonicContact OE2-NH1 2.64Å; E840-R1090 PolarHBondContact OE2-NH1 3.32Å; T863-R1090 HydrophobicContact CG2-CB 4Å; T863-R1090 HydrophobicContact CG2-CG 4.47Å; L864-R1090 CarbonylContact O-C 3.6Å; L864-R1090 VanDerWaalsContact O-CA 3.23Å; L864-R1090 WeakPolarHBondContact O-CA 3.48Å; V865-R1090 HydrophobicContact CG2-CG 4.2Å; E1085-R1090 VanDerWaalsContact C-NH2 3.27Å; E1085-R1090 PolarHBondContact O-NE 3.23Å; E1085-R1090 VanDerWaalsContact O-NE 3.12Å; E1085-R1090 PolarHBondContact O-NH2 3.17Å; D1086-R1090 VanDerWaalsContact CA-NH2 3.29Å; D1086-R1090 IonicContact OD1-NH2 3.49Å; D1086-R1090 PolarHBondContact OD1-NH2 2.86Å; A1088-R1090 WeakPolarHBondContact O-CG 3.39Å; A1088-R1090 PolarHBondContact O-N 3.39Å
1091V89.1Confident82.1Confident0 Ų057.3 Ų57.30%032%0.315CS..EExtended strand (participates in β ladder)trans-125.7122.9174.6-177.80000107.8F837 N838 T839 V847 V849 L864 W1037 I1051 V1089F837-V1091 HydrophobicContact CB-CG1 4.3Å; F837-V1091 HydrophobicContact CD2-CG1 3.91Å; F837-V1091 HydrophobicContact CG-CG1 4.38Å; N838-V1091 WeakPolarHBondContact O-CA 3.45Å; T839-V1091 HydrophobicContact CG2-CG2 4.25Å; V847-V1091 HydrophobicContact CG1-CG1 4.31Å; V847-V1091 HydrophobicContact CG1-CG2 3.93Å; V847-V1091 HydrophobicContact CG2-CG2 4.49Å; V849-V1091 HydrophobicContact CG2-CG1 4.22Å; L864-V1091 PolarHBondContact N-O 2.83Å; L864-V1091 PolarHBondContact O-N 2.9Å; W1037-V1091 HydrophobicContact CH2-CB 4.27Å; W1037-V1091 HydrophobicContact CH2-CG2 3.47Å; W1037-V1091 VanDerWaalsContact CH2-CG2 3.47Å; W1037-V1091 HydrophobicContact CZ2-CG2 4.46Å; W1037-V1091 HydrophobicContact CZ3-CB 4.12Å; W1037-V1091 HydrophobicContact CZ3-CG2 3.73Å; I1051-V1091 HydrophobicContact CD1-CB 4.08Å; I1051-V1091 HydrophobicContact CD1-CG1 3.96Å; I1051-V1091 HydrophobicContact CG2-CB 4.33Å; I1051-V1091 HydrophobicContact CG2-CG1 4.23Å; I1051-V1091 HydrophobicContact CG2-CG2 4.05Å; V1089-V1091 HydrophobicContact CG1-CG2 4.22Å
1092M87.4Confident82.5Confident58 Ų5854.6 Ų54.629%0.28631%0.308SS..EExtended strand (participates in β ladder)trans-117.7110176.9-175.8-168.9-71.900108.1F837 N838 T863 T1094F837-M1092 CarbonylContact C-O 3.55Å; F837-M1092 WeakPolarHBondContact CA-O 3.15Å; F837-M1092 VanDerWaalsContact CB-O 3.29Å; F837-M1092 WeakPolarHBondContact CB-O 3.42Å; N838-M1092 PolarHBondContact N-O 2.79Å; N838-M1092 PolarHBondContact O-N 3.45Å; T863-M1092 WeakPolarHBondContact OG1-CE 3.48Å; M1092-T1094 HydrophobicContact CG-CG2 4.03Å; M1092-T1094 PolarHBondContact O-N 3Å; M1092-T1094 HydrophobicContact SD-CG2 3.92Å
1093V84.7Confident83.3Confident0 Ų055.8 Ų55.80%032%0.319CS..EExtended strand (participates in β ladder)trans-80.3104.4174.2-171.50000107.8A835 V836 F837 V849 L851 F854 Y860 N861A835-V1093 HydrophobicContact CB-CG1 4.22Å; V836-V1093 CarbonylContact O-C 3.54Å; V836-V1093 WeakPolarHBondContact O-CA 3.16Å; F837-V1093 HydrophobicContact CB-CB 4.35Å; F837-V1093 HydrophobicContact CB-CG2 4.15Å; V849-V1093 HydrophobicContact CG1-CG2 3.84Å; V849-V1093 HydrophobicContact CG2-CG2 4.4Å; L851-V1093 HydrophobicContact CD2-CG1 3.9Å; F854-V1093 HydrophobicContact CD1-CB 4.34Å; F854-V1093 HydrophobicContact CD1-CG1 4.45Å; F854-V1093 HydrophobicContact CD1-CG2 4.12Å; F854-V1093 HydrophobicContact CD2-CG2 3.98Å; F854-V1093 HydrophobicContact CE1-CB 3.67Å; F854-V1093 HydrophobicContact CE1-CG1 4.12Å; F854-V1093 HydrophobicContact CE1-CG2 3.74Å; F854-V1093 HydrophobicContact CE2-CB 4.28Å; F854-V1093 HydrophobicContact CE2-CG2 3.56Å; F854-V1093 HydrophobicContact CG-CG2 4.23Å; F854-V1093 HydrophobicContact CZ-CB 3.64Å; F854-V1093 HydrophobicContact CZ-CG2 3.44Å; F854-V1093 VanDerWaalsContact CZ-CG2 3.44Å; Y860-V1093 CarbonylContact C-O 3.54Å; Y860-V1093 VanDerWaalsContact CA-O 3.32Å; Y860-V1093 WeakPolarHBondContact CA-O 3.42Å; Y860-V1093 HydrophobicContact CD1-CB 4.44Å; Y860-V1093 HydrophobicContact CD1-CG1 3.75Å; Y860-V1093 HydrophobicContact CE1-CG1 3.71Å; N861-V1093 PolarHBondContact N-O 3.14Å
1094T85.7Confident84.4Confident35 Ų3554 Ų5422%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-87.5-30.6-172.854.40000113.2V836 N861 M1092V836-T1094 PolarHBondContact O-N 3.44Å; V836-T1094 PolarHBondContact O-OG1 3.17Å; N861-T1094 WeakPolarHBondContact OD1-CA 3.45Å; M1092-T1094 HydrophobicContact CG-CG2 4.03Å; M1092-T1094 PolarHBondContact O-N 3Å; M1092-T1094 HydrophobicContact SD-CG2 3.92Å
1095D85.6Confident85.1Confident92 Ų9249.6 Ų49.649%0.49227%0.267SS..EExtended strand (participates in β ladder)trans-161-173.2-177.4-153.3-13.3000111V836 Y860V836-D1095 WeakPolarHBondContact CA-O 3.19Å; V836-D1095 HydrophobicContact CB-CB 3.87Å; V836-D1095 WeakPolarHBondContact CB-O 3.42Å; V836-D1095 HydrophobicContact CG1-CB 4.43Å; V836-D1095 HydrophobicContact CG2-CB 4.12Å; V836-D1095 PolarHBondContact N-O 2.55Å; V836-D1095 PolarHBondContact O-N 2.71Å; V836-D1095 VanDerWaalsContact O-N 3.13Å; V836-D1095 VanDerWaalsContact O-O 3.11Å; Y860-D1095 VanDerWaalsContact CE1-C 3.42Å; Y860-D1095 WeakPolarHBondContact CE1-O 3.36Å
1096R84.7Confident85.7Confident103 Ų10347.6 Ų47.639%0.38926%0.258SS..EExtended strand (participates in β ladder)trans-126.9151165.659.1173-173179.16111.6F832 E834 L851 Y860F832-R1096 VanDerWaalsContact O-CD 3.24Å; F832-R1096 WeakPolarHBondContact O-CD 3.21Å; E834-R1096 CarbonylContact O-C 3.5Å; E834-R1096 VanDerWaalsContact O-CA 3.26Å; E834-R1096 WeakPolarHBondContact O-CA 3.15Å; L851-R1096 HydrophobicContact CD1-CB 3.73Å; Y860-R1096 HydrophobicContact CE1-CB 4.4Å; Y860-R1096 WeakPolarHBondContact OH-CB 3.32Å; Y860-R1096 WeakPolarHBondContact OH-CD 3.43Å; Y860-R1096 WeakPolarHBondContact OH-CG 3.38Å
1097V82.1Confident86.3Confident44 Ų4442.7 Ų42.727%0.26723%0.232SC..EExtended strand (participates in β ladder)trans-97.9107.6161.8-173.50000107.1E834 V836 K1114E834-V1097 HydrophobicContact CB-CB 4.37Å; E834-V1097 PolarHBondContact N-O 3.4Å; E834-V1097 PolarHBondContact O-N 2.94Å; V836-V1097 HydrophobicContact CG2-CG2 3.48Å; V836-V1097 VanDerWaalsContact CG2-CG2 3.48Å; V1097-K1114 HydrophobicContact CG1-CB 3.71Å; V1097-K1114 HydrophobicContact CG1-CD 4Å; V1097-K1114 HydrophobicContact CG1-CG 3.94Å
1098W82.9Confident86.7Confident107 Ų10738.5 Ų38.541%0.40521%0.211SC..  trans-114.7116.4176.2-166.383.4000108.8E831 P1101E831-W1098 PolarHBondContact O-NE1 2.84Å; W1098-P1101 HydrophobicContact CH2-CG 3.48Å; W1098-P1101 VanDerWaalsContact CH2-CG 3.48Å; W1098-P1101 VanDerWaalsContact CZ2-CD 3.49Å; W1098-P1101 HydrophobicContact CZ2-CG 3.44Å; W1098-P1101 VanDerWaalsContact CZ2-CG 3.44Å; W1098-P1101 VanDerWaalsContact CZ3-CD 3.44Å; W1098-P1101 HydrophobicContact CZ3-CG 4.33Å
1099I85Confident86.7Confident12 Ų1239.8 Ų39.86%0.06222%0.217CC..PPolyproline II helixtrans-85.2135179.6-53.6174.3000107.3P827 N828 P1101 Y1110P827-I1099 HydrophobicContact CG-CB 3.95Å; P827-I1099 HydrophobicContact CG-CD1 4.03Å; P827-I1099 HydrophobicContact CG-CG2 3.58Å; N828-I1099 PolarHBondContact ND2-O 3.35Å; N828-I1099 PolarHBondContact OD1-N 3.05Å; I1099-P1101 VanDerWaalsContact O-CD 3.31Å; I1099-P1101 WeakPolarHBondContact O-CD 3.41Å; I1099-P1101 VanDerWaalsContact O-N 3.17Å; I1099-Y1110 HydrophobicContact CG2-CD1 4.25Å; I1099-Y1110 HydrophobicContact CG2-CE1 3.52Å
1100A78.2Confident86.6Confident54 Ų5441.4 Ų41.445%0.44622%0.224SC..PPolyproline II helixtrans-56.1123.4177.200000110.2Y1110A1100-Y1110 PolarHBondContact O-OH 3.01Å
1101P82.7Confident86.4Confident58 Ų5840.6 Ų40.638%0.37722%0.22SC..PPolyproline II helixtrans-59143.5-178.3-26.633.3000112Y826 W1098 I1099Y826-P1101 CarbonylContact O-C 3.52Å; Y826-P1101 WeakPolarHBondContact O-CA 3.49Å; W1098-P1101 HydrophobicContact CH2-CG 3.48Å; W1098-P1101 VanDerWaalsContact CH2-CG 3.48Å; W1098-P1101 VanDerWaalsContact CZ2-CD 3.49Å; W1098-P1101 HydrophobicContact CZ2-CG 3.44Å; W1098-P1101 VanDerWaalsContact CZ2-CG 3.44Å; W1098-P1101 VanDerWaalsContact CZ3-CD 3.44Å; W1098-P1101 HydrophobicContact CZ3-CG 4.33Å; I1099-P1101 VanDerWaalsContact O-CD 3.31Å; I1099-P1101 WeakPolarHBondContact O-CD 3.41Å; I1099-P1101 VanDerWaalsContact O-N 3.17Å
1102S83.9Confident86.2Confident22 Ų2245.9 Ų45.915%0.15425%0.249CC..  trans-119.6136.1175.7177.90000109.4Y826 V1104Y826-S1102 PolarHBondContact O-N 2.72Å; S1102-V1104 WeakPolarHBondContact CB-O 3.31Å; S1102-V1104 WeakPolarHBondContact OG-CG2 3.48Å; S1102-V1104 PolarHBondContact OG-N 2.77Å; S1102-V1104 VanDerWaalsContact OG-N 3.15Å; S1102-V1104 PolarHBondContact OG-O 3.35Å
1103S85.6Confident86Confident98 Ų9845.3 Ų45.369%0.68525%0.248SC*.SBendtrans-79.3-6.9171.459.10000112.9S819S819-S1103 VanDerWaalsContact CA-O 3.22Å; S819-S1103 WeakPolarHBondContact CA-O 3.46Å; S819-S1103 WeakPolarHBondContact CB-O 3.33Å
1104V91.6Very high85.7Confident35 Ų3549.9 Ų49.921%0.21227%0.268CS..SBendtrans-125.9151.9-179.2-65.40000111.1Y816 Y826 S1102 M1106Y816-V1104 HydrophobicContact CD2-CB 4.1Å; Y816-V1104 HydrophobicContact CD2-CG1 4.2Å; Y816-V1104 HydrophobicContact CD2-CG2 4.13Å; Y816-V1104 HydrophobicContact CG-CB 4.33Å; Y816-V1104 HydrophobicContact CG-CG2 3.93Å; Y826-V1104 WeakPolarHBondContact CE1-O 3.32Å; S1102-V1104 WeakPolarHBondContact CB-O 3.31Å; S1102-V1104 WeakPolarHBondContact OG-CG2 3.48Å; S1102-V1104 PolarHBondContact OG-N 2.77Å; S1102-V1104 VanDerWaalsContact OG-N 3.15Å; S1102-V1104 PolarHBondContact OG-O 3.35Å; V1104-M1106 HydrophobicContact CG2-SD 4.34Å; V1104-M1106 PolarHBondContact O-N 3.08Å
1105L90.9Very high85.2Confident0 Ų049.6 Ų49.60%027%0.272CS..PPolyproline II helixtrans-66121.5179.9-177.776.9000109.4Y816 G817 S818 L822 Y826 I1157 V1340 A1343 E1344 L1347Y816-L1105 CarbonylContact C-O 3.45Å; Y816-L1105 WeakPolarHBondContact CA-O 3.45Å; Y816-L1105 WeakPolarHBondContact CB-O 3.36Å; G817-L1105 PolarHBondContact N-O 3.19Å; S818-L1105 WeakPolarHBondContact O-CB 3.31Å; S818-L1105 PolarHBondContact O-N 2.91Å; S818-L1105 VanDerWaalsContact O-N 3.07Å; L822-L1105 HydrophobicContact CD1-CB 4.33Å; L822-L1105 VanDerWaalsContact CD1-N 3.33Å; L822-L1105 HydrophobicContact CD2-CB 4.31Å; L822-L1105 HydrophobicContact CD2-CD1 3.81Å; Y826-L1105 HydrophobicContact CE2-CD1 4.25Å; L1105-I1157 HydrophobicContact CD2-CG2 3.86Å; L1105-V1340 HydrophobicContact CD1-CG1 4.28Å; L1105-A1343 HydrophobicContact CD1-CB 4.12Å; L1105-A1343 HydrophobicContact CD2-CB 3.68Å; L1105-E1344 HydrophobicContact CD1-CG 3.79Å; L1105-L1347 HydrophobicContact CD2-CB 4.23Å; L1105-L1347 HydrophobicContact CD2-CD2 4.19Å; L1105-L1347 HydrophobicContact CG-CD2 4.12Å; L1105-L1347 WeakPolarHBondContact O-CD2 3.19Å
1106M91.3Very high84.8Confident19 Ų1948.5 Ų48.59%0.09428%0.276CS..PPolyproline II helixtrans-99.2156.2-179.1-66.1-65-70.600111Y826 V1104 Y1110 R1118Y826-M1106 HydrophobicContact CE1-CB 4.1Å; Y826-M1106 HydrophobicContact CE1-CG 4.05Å; Y826-M1106 WeakPolarHBondContact OH-CA 2.97Å; Y826-M1106 PolarHBondContact OH-N 3.17Å; Y826-M1106 PolarHBondContact OH-O 2.76Å; Y826-M1106 VanDerWaalsContact OH-O 3.09Å; V1104-M1106 HydrophobicContact CG2-SD 4.34Å; V1104-M1106 PolarHBondContact O-N 3.08Å; M1106-Y1110 HydrophobicContact CB-CD1 3.78Å; M1106-Y1110 HydrophobicContact CB-CG 4.17Å; M1106-Y1110 HydrophobicContact CE-CD1 4.31Å; M1106-Y1110 HydrophobicContact CE-CD2 4.19Å; M1106-Y1110 HydrophobicContact CE-CE2 4.5Å; M1106-Y1110 HydrophobicContact CE-CG 4.09Å; M1106-Y1110 HydrophobicContact CG-CD1 3.91Å; M1106-Y1110 HydrophobicContact CG-CE1 4.26Å; M1106-Y1110 HydrophobicContact CG-CG 4.48Å; M1106-R1118 HydrophobicContact CE-CB 4.39Å
1107P92.2Very high84.7Confident0 Ų047.6 Ų47.60%028%0.276CS..PPolyproline II helixtrans-64.7150.1177.1-11.926.3000110.8G815 I1109 Y1110 Y1120 L1347 D1348 L1351G815-P1107 VanDerWaalsContact O-CD 3.29Å; G815-P1107 WeakPolarHBondContact O-CD 3.13Å; G815-P1107 VanDerWaalsContact O-CG 3.28Å; G815-P1107 WeakPolarHBondContact O-CG 3.24Å; P1107-I1109 HydrophobicContact CB-CG2 4.35Å; P1107-I1109 PolarHBondContact O-N 2.91Å; P1107-Y1110 VanDerWaalsContact O-CB 3.3Å; P1107-Y1110 WeakPolarHBondContact O-CB 3.36Å; P1107-Y1110 PolarHBondContact O-N 3.02Å; P1107-Y1120 HydrophobicContact CB-CE2 3.81Å; P1107-L1347 HydrophobicContact CG-CD2 4.39Å; P1107-D1348 WeakPolarHBondContact CA-OD1 3.3Å; P1107-D1348 WeakPolarHBondContact CB-OD1 3.14Å; P1107-L1351 HydrophobicContact CB-CD1 3.82Å; P1107-L1351 HydrophobicContact CG-CD1 3.59Å
1108S89.7Confident84.8Confident20 Ų2051.3 Ų51.314%0.1429%0.285CS..Hα-helixtrans-62-25.8-171.576.70000113Y1110 R1111 N1112 Y1120 D1348S1108-Y1110 PolarHBondContact O-N 3.14Å; S1108-R1111 WeakPolarHBondContact O-CB 3.38Å; S1108-R1111 PolarHBondContact O-N 3.22Å; S1108-R1111 VanDerWaalsContact O-N 3.08Å; S1108-N1112 WeakPolarHBondContact O-CB 3.47Å; S1108-N1112 PolarHBondContact O-N 3.28Å; S1108-N1112 PolarHBondContact O-ND2 2.93Å; S1108-N1112 VanDerWaalsContact O-ND2 3.16Å; S1108-N1112 PolarHBondContact OG-ND2 2.89Å; S1108-Y1120 PolarHBondContact OG-OH 2.92Å; S1108-D1348 WeakPolarHBondContact CB-OD2 3.29Å; S1108-D1348 PolarHBondContact N-OD1 3.07Å; S1108-D1348 PolarHBondContact OG-OD2 3.08Å
1109I86.8Confident85.1Confident30 Ų3047.7 Ų47.715%0.15427%0.273CS..Hα-helixtrans-57.7-31.7174-161.2175.9000112.5P1107 N1112 T1113 E1117 R1118 F1119 Y1120P1107-I1109 HydrophobicContact CB-CG2 4.35Å; P1107-I1109 PolarHBondContact O-N 2.91Å; I1109-N1112 PolarHBondContact O-N 3.14Å; I1109-T1113 HydrophobicContact CG1-CG2 3.78Å; I1109-T1113 VanDerWaalsContact O-CB 3.31Å; I1109-T1113 WeakPolarHBondContact O-CB 3.35Å; I1109-T1113 VanDerWaalsContact O-CG2 3.28Å; I1109-T1113 WeakPolarHBondContact O-CG2 3.39Å; I1109-T1113 PolarHBondContact O-N 2.9Å; I1109-T1113 PolarHBondContact O-OG1 2.83Å; I1109-E1117 CarbonylContact C-O 3.59Å; I1109-E1117 HydrophobicContact CD1-CB 4.32Å; I1109-E1117 HydrophobicContact CG1-CB 4.38Å; I1109-R1118 VanDerWaalsContact CG2-C 3.49Å; I1109-F1119 VanDerWaalsContact CD1-O 3.25Å; I1109-F1119 WeakPolarHBondContact CD1-O 3.44Å; I1109-Y1120 HydrophobicContact CB-CE2 4.46Å; I1109-Y1120 HydrophobicContact CG2-CE2 4.13Å
1110Y88.3Confident85.4Confident34 Ų3448.5 Ų48.513%0.13328%0.275CS..Hα-helixtrans-63.2-44.3174.8-173.2-111000111.7P827 I1099 A1100 M1106 P1107 S1108 K1114 G1115 E1117 R1118P827-Y1110 HydrophobicContact CG-CD1 4.05Å; P827-Y1110 HydrophobicContact CG-CE1 3.96Å; I1099-Y1110 HydrophobicContact CG2-CD1 4.25Å; I1099-Y1110 HydrophobicContact CG2-CE1 3.52Å; A1100-Y1110 PolarHBondContact O-OH 3.01Å; M1106-Y1110 HydrophobicContact CB-CD1 3.78Å; M1106-Y1110 HydrophobicContact CB-CG 4.17Å; M1106-Y1110 HydrophobicContact CE-CD1 4.31Å; M1106-Y1110 HydrophobicContact CE-CD2 4.19Å; M1106-Y1110 HydrophobicContact CE-CE2 4.5Å; M1106-Y1110 HydrophobicContact CE-CG 4.09Å; M1106-Y1110 HydrophobicContact CG-CD1 3.91Å; M1106-Y1110 HydrophobicContact CG-CE1 4.26Å; M1106-Y1110 HydrophobicContact CG-CG 4.48Å; P1107-Y1110 VanDerWaalsContact O-CB 3.3Å; P1107-Y1110 WeakPolarHBondContact O-CB 3.36Å; P1107-Y1110 PolarHBondContact O-N 3.02Å; S1108-Y1110 PolarHBondContact O-N 3.14Å; Y1110-K1114 PolarHBondContact O-N 2.89Å; Y1110-G1115 PolarHBondContact O-N 3.48Å; Y1110-E1117 WeakPolarHBondContact CA-O 3.2Å; Y1110-E1117 PolarHBondContact N-O 3.31Å; Y1110-R1118 HydrophobicContact CD2-CB 4.31Å
1111R86.6Confident86Confident32 Ų3249 Ų4912%0.12127%0.266CS..Hα-helixtrans-66.4-46.8172.6-176.2-169.5-66.7-990.2111.5P827 D829 S1108 T1113 K1114 E1344P827-R1111 PolarHBondContact O-NH1 2.84Å; P827-R1111 VanDerWaalsContact O-NH1 3.14Å; D829-R1111 IonicContact OD1-NH1 2.74Å; S1108-R1111 WeakPolarHBondContact O-CB 3.38Å; S1108-R1111 PolarHBondContact O-N 3.22Å; S1108-R1111 VanDerWaalsContact O-N 3.08Å; R1111-T1113 VanDerWaalsContact C-N 3.3Å; R1111-T1113 PolarHBondContact O-N 3.1Å; R1111-K1114 PolarHBondContact O-N 2.94Å; R1111-E1344 IonicContact CZ-OE1 2.82Å; R1111-E1344 VanDerWaalsContact CZ-OE1 3.3Å; R1111-E1344 IonicContact CZ-OE2 3.71Å; R1111-E1344 IonicContact NE-OE1 2.7Å; R1111-E1344 PolarHBondContact NE-OE1 2.75Å; R1111-E1344 IonicContact NE-OE2 3.56Å; R1111-E1344 PolarHBondContact NE-OE2 2.75Å; R1111-E1344 IonicContact NH2-OE1 3.28Å; R1111-E1344 PolarHBondContact NH2-OE1 2.82Å; R1111-E1344 IonicContact NH2-OE2 3.62Å
1112N84Confident86.2Confident111 Ų11146.2 Ų46.259%0.59425%0.248SC*.Hα-helixtrans-66.9-30.8-173.9-66-27.5000112.9S1108 I1109S1108-N1112 WeakPolarHBondContact O-CB 3.47Å; S1108-N1112 PolarHBondContact O-N 3.28Å; S1108-N1112 PolarHBondContact O-ND2 2.93Å; S1108-N1112 VanDerWaalsContact O-ND2 3.16Å; S1108-N1112 PolarHBondContact OG-ND2 2.89Å; I1109-N1112 PolarHBondContact O-N 3.14Å
1113T83.3Confident86.5Confident45 Ų4548.3 Ų48.328%0.27626%0.257SS..THydrogen-bonded Turntrans-9710.8179.163.90000113I1109 R1111 G1115 A1116 E1117I1109-T1113 HydrophobicContact CG1-CG2 3.78Å; I1109-T1113 VanDerWaalsContact O-CB 3.31Å; I1109-T1113 WeakPolarHBondContact O-CB 3.35Å; I1109-T1113 VanDerWaalsContact O-CG2 3.28Å; I1109-T1113 WeakPolarHBondContact O-CG2 3.39Å; I1109-T1113 PolarHBondContact O-N 2.9Å; I1109-T1113 PolarHBondContact O-OG1 2.83Å; R1111-T1113 VanDerWaalsContact C-N 3.3Å; R1111-T1113 PolarHBondContact O-N 3.1Å; T1113-G1115 PolarHBondContact O-N 2.9Å; T1113-A1116 WeakPolarHBondContact O-CB 3.4Å; T1113-A1116 PolarHBondContact O-N 3.4Å; T1113-A1116 VanDerWaalsContact O-N 3.16Å; T1113-E1117 HydrophobicContact CG2-CB 3.82Å; T1113-E1117 PolarHBondContact OG1-N 2.97Å; T1113-E1117 PolarHBondContact OG1-O 2.81Å; T1113-E1117 VanDerWaalsContact OG1-O 3.1Å
1114K78.7Confident86.5Confident97 Ų9746.6 Ų46.642%0.42224%0.24SC..THydrogen-bonded Turntrans56.437.4179-50-56.6-178.3179.10112.9E834 V1097 Y1110 R1111E834-K1114 IonicContact OE1-NZ 2.58Å; E834-K1114 IonicContact OE2-NZ 3.87Å; E834-K1114 PolarHBondContact OE2-NZ 2.9Å; V1097-K1114 HydrophobicContact CG1-CB 3.71Å; V1097-K1114 HydrophobicContact CG1-CD 4Å; V1097-K1114 HydrophobicContact CG1-CG 3.94Å; Y1110-K1114 PolarHBondContact O-N 2.89Å; R1111-K1114 PolarHBondContact O-N 2.94Å
1115G74.3Confident86Confident28 Ų2851 Ų5129%0.28926%0.262SS..THydrogen-bonded Turntrans87.90.5179.300000115.5Y1110 T1113Y1110-G1115 PolarHBondContact O-N 3.48Å; T1113-G1115 PolarHBondContact O-N 2.9Å
1116A77.2Confident85.7Confident70 Ų7054.5 Ų54.558%0.57928%0.284SS*.SBendtrans-74.9-39.6-178.400000113T1113T1113-A1116 WeakPolarHBondContact O-CB 3.4Å; T1113-A1116 PolarHBondContact O-N 3.4Å; T1113-A1116 VanDerWaalsContact O-N 3.16Å
1117E82.5Confident85.5Confident84 Ų8454.7 Ų54.739%0.39329%0.285SS..  trans-130.5142.8-170.8-105.958.4-137.400111.7I1109 Y1110 T1113I1109-E1117 CarbonylContact C-O 3.59Å; I1109-E1117 HydrophobicContact CD1-CB 4.32Å; I1109-E1117 HydrophobicContact CG1-CB 4.38Å; Y1110-E1117 WeakPolarHBondContact CA-O 3.2Å; Y1110-E1117 PolarHBondContact N-O 3.31Å; T1113-E1117 HydrophobicContact CG2-CB 3.82Å; T1113-E1117 PolarHBondContact OG1-N 2.97Å; T1113-E1117 PolarHBondContact OG1-O 2.81Å; T1113-E1117 VanDerWaalsContact OG1-O 3.1Å
1118R84.3Confident85Confident122 Ų12261.3 Ų61.346%0.4631%0.313SS..  trans-1328177.666176.2-174.7-174.92.5114T814 M1106 I1109 Y1110T814-R1118 VanDerWaalsContact CB-O 3.29Å; T814-R1118 WeakPolarHBondContact CB-O 3.39Å; T814-R1118 WeakPolarHBondContact OG1-CG 3.45Å; T814-R1118 PolarHBondContact OG1-O 2.9Å; M1106-R1118 HydrophobicContact CE-CB 4.39Å; I1109-R1118 VanDerWaalsContact CG2-C 3.49Å; Y1110-R1118 HydrophobicContact CD2-CB 4.31Å
1119F90.3Very high84.2Confident31 Ų3163.6 Ų63.614%0.13632%0.324CS..  trans-111.8135.7-170.2-68.6-84.5000112.5M812 I813 T814 I1109 Y1121M812-F1119 HydrophobicContact CE-CD1 3.72Å; M812-F1119 HydrophobicContact CE-CD2 4.12Å; M812-F1119 HydrophobicContact CE-CE1 3.83Å; M812-F1119 HydrophobicContact CE-CE2 4.23Å; M812-F1119 HydrophobicContact CE-CG 3.87Å; M812-F1119 HydrophobicContact CE-CZ 4.08Å; M812-F1119 HydrophobicContact CG-CB 3.92Å; M812-F1119 HydrophobicContact CG-CD1 3.83Å; M812-F1119 HydrophobicContact CG-CG 4.09Å; M812-F1119 HydrophobicContact SD-CG 4.5Å; I813-F1119 CarbonylContact O-C 3.58Å; I813-F1119 VanDerWaalsContact O-CA 3.26Å; I813-F1119 WeakPolarHBondContact O-CA 3.27Å; T814-F1119 HydrophobicContact CG2-CD1 3.93Å; T814-F1119 HydrophobicContact CG2-CE1 3.4Å; T814-F1119 VanDerWaalsContact CG2-CE1 3.4Å; T814-F1119 HydrophobicContact CG2-CZ 3.92Å; I1109-F1119 VanDerWaalsContact CD1-O 3.25Å; I1109-F1119 WeakPolarHBondContact CD1-O 3.44Å; F1119-Y1121 HydrophobicContact CB-CE1 4.37Å
1120Y90.3Very high83.4Confident28 Ų2865.7 Ų65.711%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-92.1142.9164.1-72.4-85.7000110M812 I813 P1107 S1108 I1109 H1127 D1348 V1352M812-Y1120 CarbonylContact C-O 3.55Å; M812-Y1120 VanDerWaalsContact CA-O 3.3Å; M812-Y1120 WeakPolarHBondContact CA-O 3.33Å; I813-Y1120 PolarHBondContact N-O 3.2Å; I813-Y1120 PolarHBondContact O-N 3.21Å; P1107-Y1120 HydrophobicContact CB-CE2 3.81Å; S1108-Y1120 PolarHBondContact OG-OH 2.92Å; I1109-Y1120 HydrophobicContact CB-CE2 4.46Å; I1109-Y1120 HydrophobicContact CG2-CE2 4.13Å; Y1120-H1127 AromaticContact CD1-CE1 3.75Å; Y1120-D1348 HydrophobicContact CE2-CB 4.32Å; Y1120-D1348 PolarHBondContact OH-OD1 2.96Å; Y1120-D1348 PolarHBondContact OH-OD2 2.7Å; Y1120-V1352 HydrophobicContact CD1-CG2 4.09Å; Y1120-V1352 HydrophobicContact CG-CG2 4.18Å
1121Y91.5Very high82.1Confident64 Ų6469.1 Ų69.125%0.25137%0.368SS..EExtended strand (participates in β ladder)trans-113.1135.8-177.4-54.2-71.8000110.9M812 F1119 L1123 H1127 Y1142M812-Y1121 HydrophobicContact CB-CD1 4.43Å; M812-Y1121 HydrophobicContact CG-CD1 3.84Å; M812-Y1121 HydrophobicContact CG-CE1 3.85Å; M812-Y1121 HydrophobicContact SD-CD1 4.01Å; M812-Y1121 HydrophobicContact SD-CE1 3.58Å; M812-Y1121 VanDerWaalsContact SD-CE1 3.58Å; F1119-Y1121 HydrophobicContact CB-CE1 4.37Å; Y1121-L1123 PolarHBondContact O-N 3.46Å; Y1121-H1127 PolarHBondContact O-NE2 2.81Å; Y1121-Y1142 HydrophobicContact CD1-CD1 4.15Å; Y1121-Y1142 AromaticContact CD1-CD2 3.66Å; Y1121-Y1142 HydrophobicContact CD1-CD2 3.66Å; Y1121-Y1142 HydrophobicContact CD1-CE1 4.16Å; Y1121-Y1142 AromaticContact CD1-CE2 3.63Å; Y1121-Y1142 HydrophobicContact CD1-CE2 3.63Å; Y1121-Y1142 AromaticContact CD1-CG 3.91Å; Y1121-Y1142 HydrophobicContact CD1-CG 3.91Å; Y1121-Y1142 AromaticContact CD1-CZ 3.91Å; Y1121-Y1142 HydrophobicContact CE1-CD2 4.39Å; Y1121-Y1142 HydrophobicContact CE1-CE1 4.48Å; Y1121-Y1142 AromaticContact CE1-CE2 3.9Å; Y1121-Y1142 HydrophobicContact CE1-CE2 3.9Å; Y1121-Y1142 AromaticContact CE1-CZ 3.96Å; Y1121-Y1142 HydrophobicContact CG-CD1 4.42Å; Y1121-Y1142 HydrophobicContact CG-CD2 4.49Å; Y1121-Y1142 HydrophobicContact CG-CG 4.33Å
1122A87.8Confident80.8Confident0 Ų070.9 Ų70.90%040%0.396CS..  trans-67.497.8176.400000111.1D811 F1138 L1141 Y1142 M1355 N1359D811-A1122 HydrophobicContact CB-CB 4.13Å; D811-A1122 WeakPolarHBondContact O-CB 2.86Å; D811-A1122 PolarHBondContact O-N 2.89Å; A1122-F1138 HydrophobicContact CB-CB 3.99Å; A1122-F1138 HydrophobicContact CB-CD1 3.67Å; A1122-F1138 HydrophobicContact CB-CE1 4.35Å; A1122-F1138 HydrophobicContact CB-CG 3.79Å; A1122-L1141 WeakPolarHBondContact O-CA 3.38Å; A1122-Y1142 PolarHBondContact O-N 2.84Å; A1122-M1355 HydrophobicContact CB-CE 4.47Å; A1122-M1355 HydrophobicContact CB-SD 4.11Å; A1122-N1359 WeakPolarHBondContact CB-ND2 3.5Å
1123L88.7Confident79.8Confident66 Ų6671.8 Ų71.835%0.34641%0.411SS..  trans-136.9125.4-177.1-64.1174.3000110.2Y1121 T1126Y1121-L1123 PolarHBondContact O-N 3.46Å; L1123-T1126 VanDerWaalsContact CB-OG1 3.27Å; L1123-T1126 WeakPolarHBondContact CB-OG1 3.41Å; L1123-T1126 WeakPolarHBondContact O-CB 2.82Å; L1123-T1126 PolarHBondContact O-N 3.49Å; L1123-T1126 PolarHBondContact O-OG1 2.83Å
1124N85.5Confident79.4Confident62 Ų6271.3 Ų71.333%0.33242%0.415SS..THydrogen-bonded Turntrans-66.2149.7176.4-70-8.4000111.3T1126 F1138 L1141N1124-T1126 PolarHBondContact O-N 3.31Å; N1124-T1126 PolarHBondContact O-OG1 3.4Å; N1124-F1138 PolarHBondContact ND2-O 2.81Å; N1124-F1138 WeakPolarHBondContact OD1-CA 3.42Å; N1124-F1138 PolarHBondContact OD1-N 3.1Å; N1124-F1138 PolarHBondContact OD1-O 2.91Å; N1124-F1138 VanDerWaalsContact OD1-O 3.12Å; N1124-L1141 HydrophobicContact CB-CD2 4.24Å
1125N81.6Confident79.7Confident128 Ų12871.2 Ų71.268%0.68441%0.413SS*.THydrogen-bonded Turntrans60.818.2-174.8-53.7-49.8000115.1Y1135N1125-Y1135 VanDerWaalsContact C-CD1 3.44Å; N1125-Y1135 WeakPolarHBondContact O-CE1 3.46Å
1126T84.5Confident80Confident73 Ų7371.1 Ų71.145%0.44840%0.404SS..THydrogen-bonded Turntrans-108.4-52.8-177.6-52.60000112.4L1123 N1124L1123-T1126 VanDerWaalsContact CB-OG1 3.27Å; L1123-T1126 WeakPolarHBondContact CB-OG1 3.41Å; L1123-T1126 WeakPolarHBondContact O-CB 2.82Å; L1123-T1126 PolarHBondContact O-N 3.49Å; L1123-T1126 PolarHBondContact O-OG1 2.83Å; N1124-T1126 PolarHBondContact O-N 3.31Å; N1124-T1126 PolarHBondContact O-OG1 3.4Å
1127H87.9Confident79.9Confident24 Ų2475.8 Ų75.811%0.11141%0.413CS..SBendtrans-98122.6-175.5-51.2-52.5000111.5Y1120 Y1121 Y1135 Y1136 F1138 V1352Y1120-H1127 AromaticContact CD1-CE1 3.75Å; Y1121-H1127 PolarHBondContact O-NE2 2.81Å; H1127-Y1135 CarbonylContact O-C 3.46Å; H1127-Y1135 WeakPolarHBondContact O-CA 3.35Å; H1127-Y1135 WeakPolarHBondContact O-CB 3.36Å; H1127-Y1136 HydrophobicContact CB-CD2 4.18Å; H1127-Y1136 PolarHBondContact O-N 2.59Å; H1127-F1138 HydrophobicContact CB-CE2 4.38Å; H1127-F1138 AromaticContact CD2-CE2 3.48Å; H1127-F1138 VanDerWaalsContact CD2-CE2 3.48Å; H1127-F1138 WeakPolarHBondContact CD2-CE2 3.26Å; H1127-F1138 AromaticContact CD2-CZ 3.63Å; H1127-V1352 HydrophobicContact CB-CG1 3.55Å; H1127-V1352 HydrophobicContact CB-CG2 4.36Å
1128K80.6Confident79.8Confident139 Ų13972 Ų7260%0.60440%0.396SS*.BIsolated β-bridgetrans-79.7148.2-178.5-69.2-179.1-179.5177.90111.3Y1135 Y1136K1128-Y1135 HydrophobicContact CD-CE1 4.35Å; K1128-Y1135 WeakPolarHBondContact CE-OH 3.49Å; K1128-Y1135 HydrophobicContact CG-CD1 3.77Å; K1128-Y1135 HydrophobicContact CG-CE1 3.46Å; K1128-Y1135 VanDerWaalsContact CG-CE1 3.46Å; K1128-Y1136 WeakPolarHBondContact O-CE2 3.4Å
1129L73.6Confident79.3Confident68 Ų6871.1 Ų71.136%0.35640%0.404SS..PPolyproline II helixtrans-67138.5170.1-73.7162.2000109.8S1131 G1134 Y1136L1129-S1131 VanDerWaalsContact C-N 3.25Å; L1129-S1131 PolarHBondContact O-N 2.82Å; L1129-G1134 PolarHBondContact N-O 2.95Å; L1129-Y1136 HydrophobicContact CD2-CD1 3.88Å; L1129-Y1136 HydrophobicContact CD2-CD2 4.13Å; L1129-Y1136 HydrophobicContact CD2-CE1 3.67Å; L1129-Y1136 HydrophobicContact CD2-CE2 3.94Å; L1129-Y1136 HydrophobicContact CD2-CG 4.11Å; L1129-Y1136 HydrophobicContact CG-CD2 4.48Å
1130P69.4Low78.6Confident74 Ų7472.1 Ų72.148%0.48141%0.411SS..SBendtrans-63.2-33-177-20.531.8000112.6Y1136 D1349P1130-Y1136 VanDerWaalsContact CD-OH 3.32Å; P1130-Y1136 WeakPolarHBondContact CD-OH 3.5Å; P1130-D1349 HydrophobicContact CG-CB 4.1Å
1131S62Low78.2Confident106 Ų10674.4 Ų74.474%0.74142%0.424SS*.SBendtrans-129.6122.2176.542.80000110.2L1129L1129-S1131 VanDerWaalsContact C-N 3.25Å; L1129-S1131 PolarHBondContact O-N 2.82Å
1132G59.8Low77.8Confident69 Ų6974.4 Ų74.471%0.71142%0.424SS*.SBendtrans111.7174.6179.400000115.1
1133S61.5Low77.3Confident130 Ų13081.2 Ų81.291%0.90945%0.454SS*.SBendtrans-94.1111.7173.259.70000110.1
1134G76.6Confident76.5Confident34 Ų3487.4 Ų87.435%0.35148%0.478SS..  trans160.5176.2177.100000113.7L1129L1129-G1134 PolarHBondContact N-O 2.95Å
1135Y83.3Confident75.7Confident96 Ų9688 Ų8838%0.37650%0.499SS..BIsolated β-bridgetrans-115.9151.4172-65-92.6000108.9N1125 H1127 K1128 E1137N1125-Y1135 VanDerWaalsContact C-CD1 3.44Å; N1125-Y1135 WeakPolarHBondContact O-CE1 3.46Å; H1127-Y1135 CarbonylContact O-C 3.46Å; H1127-Y1135 WeakPolarHBondContact O-CA 3.35Å; H1127-Y1135 WeakPolarHBondContact O-CB 3.36Å; K1128-Y1135 HydrophobicContact CD-CE1 4.35Å; K1128-Y1135 WeakPolarHBondContact CE-OH 3.49Å; K1128-Y1135 HydrophobicContact CG-CD1 3.77Å; K1128-Y1135 HydrophobicContact CG-CE1 3.46Å; K1128-Y1135 VanDerWaalsContact CG-CE1 3.46Å; Y1135-E1137 PolarHBondContact O-N 2.98Å
1136Y80.4Confident75.6Confident25 Ų2586.3 Ų86.310%0.09849%0.49CS..PPolyproline II helixtrans-57.6127.1163.9-77-84.2000108.9H1127 K1128 L1129 P1130 F1138 V1352 S1356H1127-Y1136 HydrophobicContact CB-CD2 4.18Å; H1127-Y1136 PolarHBondContact O-N 2.59Å; K1128-Y1136 WeakPolarHBondContact O-CE2 3.4Å; L1129-Y1136 HydrophobicContact CD2-CD1 3.88Å; L1129-Y1136 HydrophobicContact CD2-CD2 4.13Å; L1129-Y1136 HydrophobicContact CD2-CE1 3.67Å; L1129-Y1136 HydrophobicContact CD2-CE2 3.94Å; L1129-Y1136 HydrophobicContact CD2-CG 4.11Å; L1129-Y1136 HydrophobicContact CG-CD2 4.48Å; P1130-Y1136 VanDerWaalsContact CD-OH 3.32Å; P1130-Y1136 WeakPolarHBondContact CD-OH 3.5Å; Y1136-F1138 VanDerWaalsContact CB-CE2 3.44Å; Y1136-F1138 HydrophobicContact CG-CZ 4.29Å; Y1136-V1352 HydrophobicContact CD2-CG1 3.45Å; Y1136-V1352 VanDerWaalsContact CD2-CG1 3.45Å; Y1136-V1352 HydrophobicContact CE2-CG1 3.61Å; Y1136-V1352 HydrophobicContact CG-CG1 4.03Å; Y1136-S1356 WeakPolarHBondContact CD1-OG 3.28Å; Y1136-S1356 VanDerWaalsContact CE1-OG 3.3Å; Y1136-S1356 WeakPolarHBondContact CE1-OG 3.46Å
1137E75.9Confident75.2Confident168 Ų16885.3 Ų85.379%0.78549%0.485SS*.PPolyproline II helixtrans-94.2117.1168.7-71.9-170.1160.100108.9Y1135Y1135-E1137 PolarHBondContact O-N 2.98Å
1138F80.5Confident74.6Confident4 Ų487.3 Ų87.32%0.01849%0.494CS..PPolyproline II helixtrans-97126.6174.5-61.5-83.2000108.6A1122 N1124 H1127 Y1136 L1141 V1352 M1355 N1359A1122-F1138 HydrophobicContact CB-CB 3.99Å; A1122-F1138 HydrophobicContact CB-CD1 3.67Å; A1122-F1138 HydrophobicContact CB-CE1 4.35Å; A1122-F1138 HydrophobicContact CB-CG 3.79Å; N1124-F1138 PolarHBondContact ND2-O 2.81Å; N1124-F1138 WeakPolarHBondContact OD1-CA 3.42Å; N1124-F1138 PolarHBondContact OD1-N 3.1Å; N1124-F1138 PolarHBondContact OD1-O 2.91Å; N1124-F1138 VanDerWaalsContact OD1-O 3.12Å; H1127-F1138 HydrophobicContact CB-CE2 4.38Å; H1127-F1138 AromaticContact CD2-CE2 3.48Å; H1127-F1138 VanDerWaalsContact CD2-CE2 3.48Å; H1127-F1138 WeakPolarHBondContact CD2-CE2 3.26Å; H1127-F1138 AromaticContact CD2-CZ 3.63Å; Y1136-F1138 VanDerWaalsContact CB-CE2 3.44Å; Y1136-F1138 HydrophobicContact CG-CZ 4.29Å; F1138-L1141 HydrophobicContact CB-CD2 4.14Å; F1138-V1352 HydrophobicContact CZ-CG1 4.15Å; F1138-M1355 HydrophobicContact CE1-CE 3.64Å; F1138-M1355 HydrophobicContact CE1-CG 4.04Å; F1138-M1355 HydrophobicContact CZ-CE 3.7Å; F1138-N1359 WeakPolarHBondContact CA-OD1 3.43Å; F1138-N1359 VanDerWaalsContact CB-OD1 3.3Å; F1138-N1359 WeakPolarHBondContact CB-OD1 3.42Å; F1138-N1359 HydrophobicContact CD1-CB 3.89Å
1139V73Confident74.6Confident105 Ų10585 Ų8564%0.63649%0.485SS*.SBendtrans-77.1-43.4176.9175.10000110.3N1359 T1360V1139-N1359 PolarHBondContact N-OD1 2.91Å; V1139-T1360 HydrophobicContact CB-CG2 3.44Å; V1139-T1360 VanDerWaalsContact CB-CG2 3.44Å; V1139-T1360 HydrophobicContact CG1-CG2 4.22Å; V1139-T1360 HydrophobicContact CG2-CG2 3.23Å
1140N75.6Confident74.8Confident51 Ų5182.5 Ų82.527%0.27348%0.476SS..SBendtrans-100.493.4177.3-69.2-61.7000110.6I809 N1359I809-N1140 HydrophobicContact CG2-CB 3.91Å; N1140-N1359 WeakPolarHBondContact CB-O 3.17Å; N1140-N1359 PolarHBondContact N-OD1 3.03Å; N1140-N1359 PolarHBondContact ND2-O 3.11Å; N1140-N1359 PolarHBondContact O-ND2 2.94Å; N1140-N1359 PolarHBondContact O-OD1 3.45Å
1141L83.1Confident75.4Confident77 Ų7783.9 Ų83.940%0.40348%0.483SS..  trans-69.3142.3179.4-59.5174.7000112.2A1122 N1124 F1138 K1143A1122-L1141 WeakPolarHBondContact O-CA 3.38Å; N1124-L1141 HydrophobicContact CB-CD2 4.24Å; F1138-L1141 HydrophobicContact CB-CD2 4.14Å; L1141-K1143 PolarHBondContact O-N 2.96Å
1142Y83.6Confident76.3Confident63 Ų6380.1 Ų80.125%0.24746%0.456CS..  trans-54.2131.4174.9168.6-97.6000112M812 Y1121 A1122 K1144 P1147M812-Y1142 HydrophobicContact CB-CD2 4.37Å; M812-Y1142 HydrophobicContact SD-CE2 3.89Å; Y1121-Y1142 HydrophobicContact CD1-CD1 4.15Å; Y1121-Y1142 AromaticContact CD1-CD2 3.66Å; Y1121-Y1142 HydrophobicContact CD1-CD2 3.66Å; Y1121-Y1142 HydrophobicContact CD1-CE1 4.16Å; Y1121-Y1142 AromaticContact CD1-CE2 3.63Å; Y1121-Y1142 HydrophobicContact CD1-CE2 3.63Å; Y1121-Y1142 AromaticContact CD1-CG 3.91Å; Y1121-Y1142 HydrophobicContact CD1-CG 3.91Å; Y1121-Y1142 AromaticContact CD1-CZ 3.91Å; Y1121-Y1142 HydrophobicContact CE1-CD2 4.39Å; Y1121-Y1142 HydrophobicContact CE1-CE1 4.48Å; Y1121-Y1142 AromaticContact CE1-CE2 3.9Å; Y1121-Y1142 HydrophobicContact CE1-CE2 3.9Å; Y1121-Y1142 AromaticContact CE1-CZ 3.96Å; Y1121-Y1142 HydrophobicContact CG-CD1 4.42Å; Y1121-Y1142 HydrophobicContact CG-CD2 4.49Å; Y1121-Y1142 HydrophobicContact CG-CG 4.33Å; A1122-Y1142 PolarHBondContact O-N 2.84Å; Y1142-K1144 HydrophobicContact CE1-CB 4.27Å; Y1142-P1147 HydrophobicContact CE2-CB 4.1Å
1143K75.7Confident77.5Confident143 Ų14379 Ų7962%0.62244%0.435SS*.  trans-116.9115.5176.9-68.2174.2-172.6169.10110.8L1141 G1145 N1146L1141-K1143 PolarHBondContact O-N 2.96Å; K1143-G1145 PolarHBondContact O-N 2.83Å; K1143-N1146 CarbonylContact O-C 3.58Å; K1143-N1146 PolarHBondContact O-N 2.9Å
1144K72.4Confident78.6Confident197 Ų19774.8 Ų74.886%0.85740%0.4SS*.THydrogen-bonded Turntrans-56.6121.1174.5-173.2175.4-176.9174.40110.4Y1142Y1142-K1144 HydrophobicContact CE1-CB 4.27Å
1145G69.2Low78.7Confident74 Ų7478.4 Ų78.476%0.76341%0.412SS*.THydrogen-bonded Turntrans98-7.4-176.900000115.1K1143K1143-G1145 PolarHBondContact O-N 2.83Å
1146N78.2Confident78.5Confident93 Ų9379.7 Ų79.750%0.49743%0.425SS..  trans-141.763.5173.9-169.346.7000112.2K1143K1143-N1146 CarbonylContact O-C 3.58Å; K1143-N1146 PolarHBondContact O-N 2.9Å
1147P76Confident78.9Confident52 Ų5279 Ų7934%0.33842%0.423SS..  trans-78.7134.4-176.332.1-34.4000112.8M812 Y1142 Q1149M812-P1147 HydrophobicContact CE-CB 4.37Å; M812-P1147 HydrophobicContact SD-CB 3.85Å; Y1142-P1147 HydrophobicContact CE2-CB 4.1Å; P1147-Q1149 HydrophobicContact CB-CG 4.26Å
1148H76.3Confident79.5Confident66 Ų6674.5 Ų74.531%0.30640%0.401SS..  trans-104.291.7170.4-51.394.2000110.7I809 D811 M812I809-H1148 WeakPolarHBondContact O-CB 3.3Å; D811-H1148 PolarHBondContact N-O 3.49Å; D811-H1148 WeakPolarHBondContact OD1-CA 3.46Å; D811-H1148 PolarHBondContact OD1-N 2.83Å; D811-H1148 IonicContact OD2-CE1 3.85Å; D811-H1148 IonicContact OD2-CG 3.92Å; D811-H1148 IonicContact OD2-ND1 2.67Å; D811-H1148 PolarHBondContact OD2-ND1 2.69Å; M812-H1148 PolarHBondContact N-O 2.92Å
1149Q81.1Confident80Confident89 Ų8974.6 Ų74.642%0.41640%0.402SS..EExtended strand (participates in β ladder)trans-82.2134.4-169.8-52.4-172.223.400114K808 M812 P1147K808-Q1149 VanDerWaalsContact CE-O 3.22Å; K808-Q1149 WeakPolarHBondContact CE-O 3.37Å; K808-Q1149 PolarHBondContact NZ-O 3.43Å; M812-Q1149 HydrophobicContact CE-CB 4.46Å; M812-Q1149 HydrophobicContact CE-CG 3.38Å; M812-Q1149 CarbonylContact O-C 3.48Å; M812-Q1149 WeakPolarHBondContact O-CA 3.29Å; M812-Q1149 HydrophobicContact SD-CG 4.33Å; P1147-Q1149 HydrophobicContact CB-CG 4.26Å
1150G76.6Confident80.8Confident16 Ų1670.9 Ų70.917%0.16538%0.38CS..EExtended strand (participates in β ladder)trans-119.5155.2169.700000112.9M812 T814M812-G1150 PolarHBondContact O-N 3.11Å; T814-G1150 PolarHBondContact N-O 3.45Å; T814-G1150 VanDerWaalsContact N-O 3.08Å
1151T82.7Confident81.4Confident103 Ų10368.8 Ų68.863%0.63237%0.368SS*.EExtended strand (participates in β ladder)trans-137.8140.9172.2-168.40000111.1T814T814-T1151 VanDerWaalsContact O-CA 3.27Å; T814-T1151 WeakPolarHBondContact O-CA 3.32Å
1152V81.6Confident81.5Confident28 Ų2868.5 Ų68.517%0.1737%0.367CS..EExtended strand (participates in β ladder)trans-144.8153.3179.461.80000111.1I813 T814 G815 Y816 F1154 L1351I813-V1152 HydrophobicContact CD1-CG1 4.27Å; T814-V1152 PolarHBondContact O-N 3.34Å; G815-V1152 WeakPolarHBondContact CA-O 3.27Å; Y816-V1152 PolarHBondContact N-O 3.44Å; V1152-F1154 HydrophobicContact CB-CE2 4.29Å; V1152-F1154 HydrophobicContact CG1-CD2 4.14Å; V1152-F1154 HydrophobicContact CG1-CE2 3.34Å; V1152-F1154 HydrophobicContact CG1-CZ 3.84Å; V1152-F1154 HydrophobicContact CG2-CD2 4.47Å; V1152-F1154 HydrophobicContact CG2-CE1 4.36Å; V1152-F1154 HydrophobicContact CG2-CE2 3.97Å; V1152-F1154 HydrophobicContact CG2-CZ 3.89Å; V1152-L1351 HydrophobicContact CG1-CD2 3.38Å
1153T83.3Confident81.4Confident46 Ų4667.9 Ų67.928%0.28238%0.38SS..EExtended strand (participates in β ladder)trans-117.2136.9176.8-55.80000110.1Y816 D1155Y816-T1153 HydrophobicContact CD2-CG2 3.77Å; Y816-T1153 HydrophobicContact CE2-CG2 3.33Å; Y816-T1153 WeakPolarHBondContact CE2-OG1 3.47Å; Y816-T1153 WeakPolarHBondContact O-CA 3.43Å; Y816-T1153 PolarHBondContact OH-OG1 3.18Å; T1153-D1155 VanDerWaalsContact CG2-OD1 3.26Å; T1153-D1155 WeakPolarHBondContact CG2-OD1 3.09Å
1154F84.5Confident82Confident40 Ų4061.5 Ų61.518%0.17535%0.353CS..EExtended strand (participates in β ladder)trans-125.883.2177.9-63.7-81.3000111.1Y816 G817 S818 V1152 D1156 I1157 L1347 A1350 L1351 H1354Y816-F1154 PolarHBondContact O-N 3.34Å; G817-F1154 VanDerWaalsContact CA-O 3.3Å; G817-F1154 WeakPolarHBondContact CA-O 3.46Å; S818-F1154 PolarHBondContact N-O 2.78Å; V1152-F1154 HydrophobicContact CB-CE2 4.29Å; V1152-F1154 HydrophobicContact CG1-CD2 4.14Å; V1152-F1154 HydrophobicContact CG1-CE2 3.34Å; V1152-F1154 HydrophobicContact CG1-CZ 3.84Å; V1152-F1154 HydrophobicContact CG2-CD2 4.47Å; V1152-F1154 HydrophobicContact CG2-CE1 4.36Å; V1152-F1154 HydrophobicContact CG2-CE2 3.97Å; V1152-F1154 HydrophobicContact CG2-CZ 3.89Å; F1154-D1156 PolarHBondContact O-N 2.69Å; F1154-I1157 HydrophobicContact CB-CB 4.06Å; F1154-I1157 HydrophobicContact CB-CD1 3.58Å; F1154-I1157 HydrophobicContact CB-CG1 3.76Å; F1154-I1157 HydrophobicContact CD1-CD1 4.17Å; F1154-I1157 HydrophobicContact CD2-CD1 4.28Å; F1154-I1157 HydrophobicContact CG-CD1 3.78Å; F1154-I1157 HydrophobicContact CG-CG1 4.46Å; F1154-I1157 PolarHBondContact O-N 2.96Å; F1154-I1157 VanDerWaalsContact O-N 3.08Å; F1154-L1347 HydrophobicContact CB-CD1 4.48Å; F1154-L1347 HydrophobicContact CD2-CD1 3.66Å; F1154-L1347 HydrophobicContact CE2-CD1 4.38Å; F1154-L1347 HydrophobicContact CG-CD1 4.49Å; F1154-A1350 HydrophobicContact CD1-CB 4.37Å; F1154-A1350 HydrophobicContact CD2-CB 4.24Å; F1154-A1350 HydrophobicContact CE1-CB 4.02Å; F1154-A1350 HydrophobicContact CE2-CB 3.83Å; F1154-A1350 HydrophobicContact CG-CB 4.48Å; F1154-A1350 HydrophobicContact CZ-CB 3.73Å; F1154-L1351 HydrophobicContact CE2-CD2 4.07Å; F1154-L1351 HydrophobicContact CE2-CG 4.31Å; F1154-H1354 HydrophobicContact CZ-CB 4.41Å
1155D79.3Confident82.8Confident111 Ų11155.7 Ų55.759%0.59433%0.333SS*.THydrogen-bonded Turntrans-65.3-21.2-174.3-63-39.6000114S818 T1153S818-D1155 VanDerWaalsContact CB-O 3.32Å; S818-D1155 WeakPolarHBondContact CB-O 3.27Å; S818-D1155 PolarHBondContact OG-O 3.07Å; T1153-D1155 VanDerWaalsContact CG2-OD1 3.26Å; T1153-D1155 WeakPolarHBondContact CG2-OD1 3.09Å
1156D79.4Confident83.8Confident122 Ų12252.5 Ų52.565%0.65230%0.299SS*.THydrogen-bonded Turntrans-79-23.1175.763.1-46.5000112.9F1154 K1158F1154-D1156 PolarHBondContact O-N 2.69Å; D1156-K1158 PolarHBondContact O-N 3.13Å; D1156-K1158 VanDerWaalsContact O-N 3.15Å
1157I88.8Confident84.3Confident12 Ų1251.6 Ų51.66%0.06230%0.304CS..  trans-82.597.2177.4-58179.8000109.6S818 L1105 F1154 R1346 L1347 A1350S818-I1157 PolarHBondContact N-O 3.06Å; L1105-I1157 HydrophobicContact CD2-CG2 3.86Å; F1154-I1157 HydrophobicContact CB-CB 4.06Å; F1154-I1157 HydrophobicContact CB-CD1 3.58Å; F1154-I1157 HydrophobicContact CB-CG1 3.76Å; F1154-I1157 HydrophobicContact CD1-CD1 4.17Å; F1154-I1157 HydrophobicContact CD2-CD1 4.28Å; F1154-I1157 HydrophobicContact CG-CD1 3.78Å; F1154-I1157 HydrophobicContact CG-CG1 4.46Å; F1154-I1157 PolarHBondContact O-N 2.96Å; F1154-I1157 VanDerWaalsContact O-N 3.08Å; I1157-R1346 HydrophobicContact CG2-CB 4Å; I1157-L1347 HydrophobicContact CG2-CB 4.1Å; I1157-A1350 HydrophobicContact CD1-CB 3.61Å
1158K89.2Confident84.9Confident72 Ų7253.4 Ų53.431%0.31331%0.308SS..  trans-132.2155.3176.362.8-171.9172.4-167.20112.6D820 D1156 T1160 R1346D820-K1158 HydrophobicContact CB-CB 4.16Å; D820-K1158 HydrophobicContact CB-CD 3.6Å; D820-K1158 WeakPolarHBondContact OD2-CD 3.48Å; D820-K1158 IonicContact OD2-NZ 3.23Å; D820-K1158 PolarHBondContact OD2-NZ 2.84Å; D1156-K1158 PolarHBondContact O-N 3.13Å; D1156-K1158 VanDerWaalsContact O-N 3.15Å; K1158-T1160 PolarHBondContact O-N 3.08Å; K1158-R1346 PolarHBondContact O-NH2 2.82Å
1159P90.3Very high85.2Confident7 Ų752.9 Ų52.95%0.04532%0.321CS..SBendtrans-50.6116.4169.2-23.532.6000110.9D820 N821 L822 V1340 A1343D820-P1159 WeakPolarHBondContact O-CD 3.18Å; N821-P1159 HydrophobicContact CB-CB 3.96Å; N821-P1159 HydrophobicContact CB-CG 4.27Å; N821-P1159 PolarHBondContact ND2-O 3.07Å; L822-P1159 HydrophobicContact CD2-CG 3.88Å; P1159-V1340 HydrophobicContact CB-CG2 4.21Å; P1159-V1340 HydrophobicContact CG-CB 4.47Å; P1159-V1340 HydrophobicContact CG-CG2 4.01Å; P1159-A1343 HydrophobicContact CB-CB 4.49Å; P1159-A1343 HydrophobicContact CG-CB 4.18Å
1160T88.9Confident85.7Confident27 Ų2751.5 Ų51.517%0.16631%0.314CS..  trans-155.4152.5-179.8-174.70000110.1K1158 N1162K1158-T1160 PolarHBondContact O-N 3.08Å; T1160-N1162 VanDerWaalsContact C-N 3.3Å; T1160-N1162 HydrophobicContact CG2-CB 4.01Å; T1160-N1162 WeakPolarHBondContact OG1-CB 3.36Å; T1160-N1162 PolarHBondContact OG1-N 2.82Å; T1160-N1162 VanDerWaalsContact OG1-N 3.15Å
1161I88.2Confident86.4Confident6 Ų653 Ų533%0.03132%0.318CS..SBendtrans-78.9-17.7170.6-164.9171.2000111.9G1163 I1164 L1172 F1206 F1212 V1329 I1330 L1339I1161-G1163 PolarHBondContact O-N 2.75Å; I1161-I1164 WeakPolarHBondContact O-CB 3.33Å; I1161-I1164 PolarHBondContact O-N 2.87Å; I1161-I1164 VanDerWaalsContact O-N 3.07Å; I1161-L1172 HydrophobicContact CD1-CB 3.7Å; I1161-L1172 HydrophobicContact CG1-CB 3.48Å; I1161-L1172 VanDerWaalsContact CG1-CB 3.48Å; I1161-L1172 HydrophobicContact CG1-CD1 4.38Å; I1161-F1206 HydrophobicContact CD1-CE1 4.36Å; I1161-F1206 HydrophobicContact CD1-CE2 3.89Å; I1161-F1206 HydrophobicContact CD1-CZ 3.73Å; I1161-F1212 HydrophobicContact CD1-CE1 4.46Å; I1161-F1212 HydrophobicContact CD1-CZ 4.25Å; I1161-V1329 HydrophobicContact CG2-CB 4.17Å; I1161-V1329 HydrophobicContact CG2-CG1 4.16Å; I1161-I1330 HydrophobicContact CD1-CD1 3.81Å; I1161-I1330 HydrophobicContact CD1-CG1 4.18Å; I1161-L1339 HydrophobicContact CB-CD1 4.41Å
1162N86.2Confident86.8Confident72 Ų7248 Ų4839%0.38529%0.288SS..THydrogen-bonded Turntrans-62126.8-179.1-170.516.8000110.8T1160 I1164 I1229 V1329T1160-N1162 VanDerWaalsContact C-N 3.3Å; T1160-N1162 HydrophobicContact CG2-CB 4.01Å; T1160-N1162 WeakPolarHBondContact OG1-CB 3.36Å; T1160-N1162 PolarHBondContact OG1-N 2.82Å; T1160-N1162 VanDerWaalsContact OG1-N 3.15Å; N1162-I1164 VanDerWaalsContact C-N 3.27Å; N1162-I1164 PolarHBondContact O-N 2.89Å; N1162-I1229 HydrophobicContact CB-CD1 4.2Å; N1162-V1329 HydrophobicContact CB-CG1 4.19Å
1163G82.1Confident87.2Confident49 Ų4946.9 Ų46.951%0.50528%0.281SS..THydrogen-bonded Turntrans79.6-4.5-176.500000115.5I1161 V1165I1161-G1163 PolarHBondContact O-N 2.75Å; G1163-V1165 PolarHBondContact O-N 3.05Å
1164I87.6Confident87.7Confident10 Ų1047 Ų475%0.05128%0.279CS..  trans-77.1125.9175.2-54.9-58.9000108.8I1161 N1162 L1171 L1172 F1210 L1339 A1342I1161-I1164 WeakPolarHBondContact O-CB 3.33Å; I1161-I1164 PolarHBondContact O-N 2.87Å; I1161-I1164 VanDerWaalsContact O-N 3.07Å; N1162-I1164 VanDerWaalsContact C-N 3.27Å; N1162-I1164 PolarHBondContact O-N 2.89Å; I1164-L1171 CarbonylContact O-C 3.58Å; I1164-L1171 WeakPolarHBondContact O-CA 3.41Å; I1164-L1172 HydrophobicContact CB-CD1 4.16Å; I1164-L1172 HydrophobicContact CB-CG 4.2Å; I1164-L1172 HydrophobicContact CG2-CD1 3.54Å; I1164-L1172 HydrophobicContact CG2-CG 3.88Å; I1164-L1172 WeakPolarHBondContact O-CG 3.5Å; I1164-L1172 PolarHBondContact O-N 2.9Å; I1164-F1210 HydrophobicContact CD1-CD2 4.5Å; I1164-F1210 HydrophobicContact CG2-CB 3.81Å; I1164-L1339 HydrophobicContact CG1-CD2 4Å; I1164-A1342 HydrophobicContact CD1-CB 3.76Å
1165V89.7Confident88.2Confident74 Ų7445.1 Ų45.145%0.44827%0.271SS..BIsolated β-bridgetrans-104.2148.2176.5-65.20000111.4G1163 Q1170 L1171G1163-V1165 PolarHBondContact O-N 3.05Å; V1165-Q1170 CarbonylContact C-O 3.52Å; V1165-Q1170 VanDerWaalsContact CA-O 3.23Å; V1165-Q1170 WeakPolarHBondContact CA-O 3.44Å; V1165-L1171 HydrophobicContact CG1-CD2 3.81Å; V1165-L1171 HydrophobicContact CG1-CG 4.36Å
1166N90.3Very high88.8Confident7 Ų740.2 Ų40.24%0.03725%0.245CC..  trans-81.4178.2173.880.5-4.2000111.6E1168 G1169 Q1170 L1172 K1205 N1207N1166-E1168 PolarHBondContact ND2-OE2 3.14Å; N1166-E1168 PolarHBondContact O-N 3.38Å; N1166-E1168 VanDerWaalsContact OD1-C 3.28Å; N1166-E1168 VanDerWaalsContact OD1-CA 3.31Å; N1166-E1168 WeakPolarHBondContact OD1-CA 3.34Å; N1166-E1168 WeakPolarHBondContact OD1-CB 3.24Å; N1166-E1168 PolarHBondContact OD1-N 2.91Å; N1166-G1169 PolarHBondContact O-N 3.35Å; N1166-G1169 PolarHBondContact OD1-N 3.42Å; N1166-Q1170 PolarHBondContact N-O 3.41Å; N1166-Q1170 PolarHBondContact ND2-OE1 3.03Å; N1166-Q1170 WeakPolarHBondContact OD1-CB 3.37Å; N1166-Q1170 PolarHBondContact OD1-N 3.4Å; N1166-Q1170 PolarHBondContact OD1-O 3.47Å; N1166-L1172 HydrophobicContact CB-CD2 3.56Å; N1166-K1205 WeakPolarHBondContact CB-O 3.32Å; N1166-K1205 PolarHBondContact ND2-O 3.07Å; N1166-N1207 WeakPolarHBondContact CA-O 3.21Å; N1166-N1207 WeakPolarHBondContact CB-OD1 3.45Å
1167A87.4Confident89.5Confident74 Ų7438 Ų3861%0.61223%0.233SC*.THydrogen-bonded Turntrans-63.6-23.5179.700000113.1G1169 N1207A1167-G1169 VanDerWaalsContact C-N 3.33Å; A1167-N1207 WeakPolarHBondContact CB-OD1 3.07Å; A1167-N1207 PolarHBondContact N-OD1 3.36Å
1168E89.1Confident89.6Confident90 Ų9038.6 Ų38.642%0.42124%0.238SC..THydrogen-bonded Turntrans-85.2-0.4175.3-65.489164.300113.7N1166 Q1170 K1205 N1207N1166-E1168 PolarHBondContact ND2-OE2 3.14Å; N1166-E1168 PolarHBondContact O-N 3.38Å; N1166-E1168 VanDerWaalsContact OD1-C 3.28Å; N1166-E1168 VanDerWaalsContact OD1-CA 3.31Å; N1166-E1168 WeakPolarHBondContact OD1-CA 3.34Å; N1166-E1168 WeakPolarHBondContact OD1-CB 3.24Å; N1166-E1168 PolarHBondContact OD1-N 2.91Å; E1168-Q1170 HydrophobicContact CB-CG 4.25Å; E1168-K1205 WeakPolarHBondContact OE1-CD 3.37Å; E1168-K1205 IonicContact OE1-NZ 3.19Å; E1168-K1205 PolarHBondContact OE1-NZ 3.23Å; E1168-N1207 PolarHBondContact OE1-ND2 3.01Å; E1168-N1207 PolarHBondContact OE2-ND2 2.77Å; E1168-N1207 PolarHBondContact OE2-OD1 2.83Å; E1168-N1207 VanDerWaalsContact OE2-OD1 3.06Å
1169G83.6Confident89.5Confident56 Ų5636.2 Ų36.258%0.57723%0.231SC*.SBendtrans79.814.4179.700000114.8N1166 A1167N1166-G1169 PolarHBondContact O-N 3.35Å; N1166-G1169 PolarHBondContact OD1-N 3.42Å; A1167-G1169 VanDerWaalsContact C-N 3.33Å
1170Q90.2Very high89.3Confident59 Ų5938.4 Ų38.428%0.27624%0.241SC..  trans-94144.2178.8-50.8168.2-64.300109.9V1165 N1166 E1168 H1204V1165-Q1170 CarbonylContact C-O 3.52Å; V1165-Q1170 VanDerWaalsContact CA-O 3.23Å; V1165-Q1170 WeakPolarHBondContact CA-O 3.44Å; N1166-Q1170 PolarHBondContact N-O 3.41Å; N1166-Q1170 PolarHBondContact ND2-OE1 3.03Å; N1166-Q1170 WeakPolarHBondContact OD1-CB 3.37Å; N1166-Q1170 PolarHBondContact OD1-N 3.4Å; N1166-Q1170 PolarHBondContact OD1-O 3.47Å; E1168-Q1170 HydrophobicContact CB-CG 4.25Å; Q1170-H1204 HydrophobicContact CB-CB 4.35Å; Q1170-H1204 PolarHBondContact NE2-CE1 3.42Å; Q1170-H1204 PolarHBondContact NE2-ND1 2.66Å
1171L91.2Very high89Confident47 Ų4737.6 Ų37.625%0.24624%0.235CC..BIsolated β-bridgetrans-71.1132.6178.5-74.1167.3000110.8I1164 V1165 G1173 E1174 H1204 L1327I1164-L1171 CarbonylContact O-C 3.58Å; I1164-L1171 WeakPolarHBondContact O-CA 3.41Å; V1165-L1171 HydrophobicContact CG1-CD2 3.81Å; V1165-L1171 HydrophobicContact CG1-CG 4.36Å; L1171-G1173 VanDerWaalsContact C-N 3.27Å; L1171-G1173 PolarHBondContact O-N 3.22Å; L1171-E1174 HydrophobicContact CB-CB 3.64Å; L1171-E1174 PolarHBondContact O-N 3.38Å; L1171-H1204 PolarHBondContact O-CD2 2.87Å; L1171-L1327 HydrophobicContact CD1-CD2 3.9Å
1172L91.2Very high88.5Confident0 Ų045.8 Ų45.80%027%0.271CS..THydrogen-bonded Turntrans-65.3-35.5175.4-61.4-162.8000111.7I1161 I1164 N1166 E1174 K1205 F1206 F1212 F1328I1161-L1172 HydrophobicContact CD1-CB 3.7Å; I1161-L1172 HydrophobicContact CG1-CB 3.48Å; I1161-L1172 VanDerWaalsContact CG1-CB 3.48Å; I1161-L1172 HydrophobicContact CG1-CD1 4.38Å; I1164-L1172 HydrophobicContact CB-CD1 4.16Å; I1164-L1172 HydrophobicContact CB-CG 4.2Å; I1164-L1172 HydrophobicContact CG2-CD1 3.54Å; I1164-L1172 HydrophobicContact CG2-CG 3.88Å; I1164-L1172 WeakPolarHBondContact O-CG 3.5Å; I1164-L1172 PolarHBondContact O-N 2.9Å; N1166-L1172 HydrophobicContact CB-CD2 3.56Å; L1172-E1174 VanDerWaalsContact C-N 3.25Å; L1172-E1174 PolarHBondContact O-N 2.95Å; L1172-K1205 WeakPolarHBondContact CD2-O 3.17Å; L1172-F1206 HydrophobicContact CB-CD1 4.12Å; L1172-F1206 HydrophobicContact CB-CE1 4.09Å; L1172-F1206 HydrophobicContact CD1-CB 4.27Å; L1172-F1206 HydrophobicContact CD1-CD1 4.35Å; L1172-F1206 HydrophobicContact CD1-CG 4.24Å; L1172-F1206 HydrophobicContact CD2-CB 4.35Å; L1172-F1206 HydrophobicContact CD2-CD1 3.74Å; L1172-F1206 HydrophobicContact CD2-CE1 4.44Å; L1172-F1206 HydrophobicContact CD2-CG 4.29Å; L1172-F1206 HydrophobicContact CG-CD1 4.29Å; L1172-F1206 WeakPolarHBondContact O-CE1 3.22Å; L1172-F1212 HydrophobicContact CD1-CE1 4.44Å; L1172-F1328 WeakPolarHBondContact O-CZ 3.26Å
1173G91.2Very high88Confident3 Ų347.5 Ų47.53%0.03128%0.276CS..THydrogen-bonded Turntrans-86.926.9175.200000113.6L1171 L1327 F1328L1171-G1173 VanDerWaalsContact C-N 3.27Å; L1171-G1173 PolarHBondContact O-N 3.22Å; G1173-L1327 CarbonylContact O-C 3.43Å; G1173-L1327 WeakPolarHBondContact O-CA 3.25Å; G1173-F1328 WeakPolarHBondContact CA-O 3.36Å; G1173-F1328 WeakPolarHBondContact O-CD1 3.35Å; G1173-F1328 PolarHBondContact O-N 3.49Å
1174E93.9Very high87.8Confident49 Ų4947 Ų4723%0.22926%0.262CS..BIsolated β-bridgetrans-116.9134.4175.7179-173.6172.600110.5L1171 L1172 A1176 H1204 G1325 D1326 L1327 F1328L1171-E1174 HydrophobicContact CB-CB 3.64Å; L1171-E1174 PolarHBondContact O-N 3.38Å; L1172-E1174 VanDerWaalsContact C-N 3.25Å; L1172-E1174 PolarHBondContact O-N 2.95Å; E1174-A1176 PolarHBondContact O-N 3.11Å; E1174-H1204 PolarHBondContact O-CD2 3.45Å; E1174-G1325 WeakPolarHBondContact OE1-CA 3.37Å; E1174-D1326 WeakPolarHBondContact CA-O 3.41Å; E1174-L1327 HydrophobicContact CB-CD2 3.95Å; E1174-L1327 HydrophobicContact CG-CD2 4.22Å; E1174-F1328 VanDerWaalsContact C-CE1 3.46Å
1175I93.5Very high87.3Confident0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-70.6116176.6-67.4-172.8000109.4D1177 V1178 I1201 L1228 P1322 K1324 G1325 D1326 F1328I1175-D1177 WeakPolarHBondContact CG2-O 3.41Å; I1175-V1178 HydrophobicContact CG2-CG2 3.44Å; I1175-V1178 VanDerWaalsContact CG2-CG2 3.44Å; I1175-I1201 HydrophobicContact CD1-CD1 4Å; I1175-I1201 HydrophobicContact CD1-CG1 4.48Å; I1175-I1201 HydrophobicContact CD1-CG2 4.18Å; I1175-I1201 HydrophobicContact CG1-CG2 4Å; I1175-I1201 HydrophobicContact CG2-CG2 4.08Å; I1175-L1228 HydrophobicContact CD1-CD2 3.88Å; I1175-P1322 HydrophobicContact CD1-CB 3.93Å; I1175-K1324 WeakPolarHBondContact O-CA 3.49Å; I1175-G1325 PolarHBondContact O-N 3.21Å; I1175-D1326 HydrophobicContact CD1-CB 4.1Å; I1175-D1326 HydrophobicContact CG1-CB 4.41Å; I1175-D1326 PolarHBondContact N-O 3.44Å; I1175-F1328 HydrophobicContact CG1-CD1 3.7Å; I1175-F1328 HydrophobicContact CG1-CE1 4.05Å
1176A93.1Very high86.6Confident8 Ų845.6 Ų45.67%0.06626%0.255CS..EExtended strand (participates in β ladder)trans-73.5-36.5-179.900000112.5E1174 K1202 H1204 K1324E1174-A1176 PolarHBondContact O-N 3.11Å; A1176-K1202 HydrophobicContact CB-CB 4.11Å; A1176-K1202 HydrophobicContact CB-CD 4.36Å; A1176-K1202 HydrophobicContact CB-CG 4.27Å; A1176-K1202 VanDerWaalsContact CB-O 3.29Å; A1176-K1202 WeakPolarHBondContact CB-O 3.24Å; A1176-K1202 PolarHBondContact N-O 3.37Å; A1176-H1204 WeakPolarHBondContact CB-CE1 3.41Å; A1176-H1204 WeakPolarHBondContact CB-ND1 3.39Å; A1176-K1324 WeakPolarHBondContact O-CD 3.21Å; A1176-K1324 WeakPolarHBondContact O-CG 3.19Å
1177D93.4Very high86.1Confident75 Ų7549.3 Ų49.340%0.40128%0.277SS..EExtended strand (participates in β ladder)trans-165.3161.2177.4-1561.3000110.9I1175 K1202 W1299I1175-D1177 WeakPolarHBondContact CG2-O 3.41Å; D1177-K1202 HydrophobicContact CB-CB 3.75Å; D1177-K1202 HydrophobicContact CB-CD 4.13Å; D1177-K1202 PolarHBondContact O-N 3.39Å; D1177-W1299 HydrophobicContact CB-CH2 3.8Å; D1177-W1299 HydrophobicContact CB-CZ2 4.16Å
1178V90.5Very high85.7Confident25 Ų2551.1 Ų51.115%0.15227%0.271CS..EExtended strand (participates in β ladder)trans-132.5130.9176.2-1760000109.3I1175 F1180 F1199 Y1200 P1322I1175-V1178 HydrophobicContact CG2-CG2 3.44Å; I1175-V1178 VanDerWaalsContact CG2-CG2 3.44Å; V1178-F1180 HydrophobicContact CG1-CD2 4.48Å; V1178-F1180 HydrophobicContact CG1-CE2 3.72Å; V1178-F1180 HydrophobicContact CG1-CZ 4.05Å; V1178-F1199 HydrophobicContact CG1-CD2 3.9Å; V1178-F1199 HydrophobicContact CG1-CE2 4.11Å; V1178-Y1200 WeakPolarHBondContact CA-O 3.28Å; V1178-P1322 HydrophobicContact CG2-CB 4.22Å
1179A88.8Confident85Confident22 Ų2249.6 Ų49.618%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-128.9147.6177.900000111.6Y1200 L1264 W1299A1179-Y1200 PolarHBondContact N-O 2.94Å; A1179-Y1200 WeakPolarHBondContact O-CD2 3.32Å; A1179-Y1200 PolarHBondContact O-N 3.23Å; A1179-L1264 HydrophobicContact CB-CD1 3.54Å; A1179-W1299 HydrophobicContact CB-CH2 3.64Å; A1179-W1299 HydrophobicContact CB-CZ3 3.63Å
1180F86Confident84.7Confident54 Ų5452.8 Ų52.824%0.23728%0.279CS..  trans-120.3133.9172.1-62-90.2000106.3V1178 D1184 F1199 P1314 K1321V1178-F1180 HydrophobicContact CG1-CD2 4.48Å; V1178-F1180 HydrophobicContact CG1-CE2 3.72Å; V1178-F1180 HydrophobicContact CG1-CZ 4.05Å; F1180-D1184 HydrophobicContact CB-CB 3.97Å; F1180-D1184 HydrophobicContact CD1-CB 4.42Å; F1180-D1184 WeakPolarHBondContact CD1-OD2 3.44Å; F1180-F1199 HydrophobicContact CD1-CB 3.65Å; F1180-F1199 HydrophobicContact CD1-CG 4.46Å; F1180-F1199 HydrophobicContact CE1-CB 3.62Å; F1180-F1199 HydrophobicContact CE1-CD2 4.07Å; F1180-F1199 AromaticContact CE1-CG 3.95Å; F1180-F1199 HydrophobicContact CE1-CG 3.95Å; F1180-F1199 HydrophobicContact CZ-CB 4.46Å; F1180-F1199 HydrophobicContact CZ-CD2 4.15Å; F1180-F1199 HydrophobicContact CZ-CG 4.48Å; F1180-P1314 HydrophobicContact CE1-CB 4.15Å; F1180-P1314 HydrophobicContact CE1-CG 3.58Å; F1180-P1314 HydrophobicContact CZ-CB 4.09Å; F1180-P1314 HydrophobicContact CZ-CG 3.86Å; F1180-K1321 HydrophobicContact CE2-CD 4.04Å; F1180-K1321 HydrophobicContact CZ-CB 4.1Å; F1180-K1321 HydrophobicContact CZ-CD 4.36Å
1181D82.7Confident84Confident10 Ų1056.2 Ų56.25%0.05330%0.3CS..  trans-79.1-178.817669.243.5000111.5E1183 D1184 H1196 Y1200 Y1277D1181-E1183 PolarHBondContact O-N 3.06Å; D1181-E1183 WeakPolarHBondContact OD1-CA 3.27Å; D1181-E1183 PolarHBondContact OD1-N 3.41Å; D1181-D1184 WeakPolarHBondContact O-CB 3.26Å; D1181-D1184 PolarHBondContact O-N 3.19Å; D1181-D1184 PolarHBondContact OD1-N 3.28Å; D1181-H1196 IonicContact OD1-CE1 2.71Å; D1181-H1196 PolarHBondContact OD1-CE1 2.7Å; D1181-H1196 IonicContact OD1-ND1 2.64Å; D1181-H1196 IonicContact OD1-NE2 2.78Å; D1181-H1196 PolarHBondContact OD1-NE2 2.74Å; D1181-H1196 IonicContact OD2-CE1 3.28Å; D1181-H1196 PolarHBondContact OD2-CE1 3.33Å; D1181-H1196 IonicContact OD2-NE2 3.46Å; D1181-H1196 PolarHBondContact OD2-NE2 3.14Å; D1181-Y1200 HydrophobicContact CB-CE2 3.78Å; D1181-Y1200 WeakPolarHBondContact OD2-CE2 3.34Å; D1181-Y1200 PolarHBondContact OD2-OH 3.45Å; D1181-Y1277 HydrophobicContact CB-CD2 4.09Å; D1181-Y1277 HydrophobicContact CB-CE2 3.66Å
1182K77.4Confident83.1Confident178 Ų17855.8 Ų55.877%0.77431%0.307SS*.THydrogen-bonded Turntrans-75-17.2-173.3-60180-176175.60113.2
1183E75.7Confident82.3Confident108 Ų10862.3 Ų62.351%0.50534%0.335SS..THydrogen-bonded Turntrans-96.10.7179.6-56.1-61.8142.300111.1D1181 S1185 H1196D1181-E1183 PolarHBondContact O-N 3.06Å; D1181-E1183 WeakPolarHBondContact OD1-CA 3.27Å; D1181-E1183 PolarHBondContact OD1-N 3.41Å; E1183-S1185 PolarHBondContact O-N 2.96Å; E1183-H1196 VanDerWaalsContact O-CB 3.28Å; E1183-H1196 WeakPolarHBondContact O-CB 3.35Å
1184D77.5Confident81.5Confident38 Ų3864.1 Ų64.120%0.20334%0.341CS..  trans-55.9124.6179.3-172.947.7000112.1F1180 D1181 H1196 K1304F1180-D1184 HydrophobicContact CB-CB 3.97Å; F1180-D1184 HydrophobicContact CD1-CB 4.42Å; F1180-D1184 WeakPolarHBondContact CD1-OD2 3.44Å; D1181-D1184 WeakPolarHBondContact O-CB 3.26Å; D1181-D1184 PolarHBondContact O-N 3.19Å; D1181-D1184 PolarHBondContact OD1-N 3.28Å; D1184-H1196 VanDerWaalsContact CA-CD2 3.49Å; D1184-H1196 WeakPolarHBondContact CA-CD2 3.46Å; D1184-H1196 IonicContact OD1-CD2 3.85Å; D1184-H1196 PolarHBondContact OD1-CD2 3.34Å; D1184-K1304 WeakPolarHBondContact OD1-CE 3.48Å; D1184-K1304 IonicContact OD1-NZ 2.95Å; D1184-K1304 PolarHBondContact OD1-NZ 3.07Å; D1184-K1304 IonicContact OD2-NZ 3.76Å
1185S76.8Confident80.7Confident30 Ų3066.8 Ų66.821%0.2136%0.356CS..  trans-149.7131.8-173.1-167.20000110.4E1183 V1187 K1304E1183-S1185 PolarHBondContact O-N 2.96Å; S1185-V1187 WeakPolarHBondContact OG-CB 3.27Å; S1185-V1187 PolarHBondContact OG-N 3.27Å; S1185-K1304 PolarHBondContact O-NZ 2.81Å
1186D76.1Confident80Confident25 Ų2567 Ų6713%0.13436%0.357CS..  trans-88.68.9170.8-55.7-34.5000111.5Y1194 K1304 V1312 A1316 S1317D1186-Y1194 WeakPolarHBondContact O-CD1 3.21Å; D1186-Y1194 WeakPolarHBondContact O-CE1 3.29Å; D1186-K1304 IonicContact OD1-NZ 3.93Å; D1186-K1304 PolarHBondContact OD1-NZ 3.01Å; D1186-V1312 HydrophobicContact CB-CG1 4.07Å; D1186-A1316 PolarHBondContact OD2-N 3.14Å; D1186-S1317 PolarHBondContact OD2-N 2.94Å; D1186-S1317 PolarHBondContact OD2-OG 2.98Å
1187V78.8Confident79.5Confident84 Ų8469.8 Ų69.851%0.50937%0.371SS..  trans-88.3139.3-176.8-178.90000110S1185 Y1194 I1195S1185-V1187 WeakPolarHBondContact OG-CB 3.27Å; S1185-V1187 PolarHBondContact OG-N 3.27Å; V1187-Y1194 WeakPolarHBondContact O-CA 3.37Å; V1187-I1195 HydrophobicContact CB-CD1 4.03Å; V1187-I1195 HydrophobicContact CG1-CD1 3.89Å; V1187-I1195 WeakPolarHBondContact O-CG1 3.46Å; V1187-I1195 PolarHBondContact O-N 2.88Å
1188K78.3Confident79.2Confident112 Ų11268.4 Ų68.449%0.48736%0.36SS..BIsolated β-bridgetrans-84.4139.9169.1-69.6176.4170.9-171.40111.1G1192 K1193 Y1194K1188-G1192 WeakPolarHBondContact CD-O 3.23Å; K1188-G1192 WeakPolarHBondContact CE-O 3.39Å; K1188-K1193 CarbonylContact C-O 3.5Å; K1188-K1193 WeakPolarHBondContact CA-O 3.43Å; K1188-Y1194 HydrophobicContact CD-CE1 4.4Å; K1188-Y1194 HydrophobicContact CD-CE2 4.47Å; K1188-Y1194 WeakPolarHBondContact CE-OH 3.45Å; K1188-Y1194 HydrophobicContact CG-CD1 3.79Å; K1188-Y1194 HydrophobicContact CG-CD2 4.32Å; K1188-Y1194 HydrophobicContact CG-CE1 3.74Å; K1188-Y1194 HydrophobicContact CG-CE2 4.27Å; K1188-Y1194 HydrophobicContact CG-CG 4.08Å
1189D75.1Confident79.2Confident58 Ų5867.2 Ų67.231%0.3135%0.353SS..  trans-66.2179.4165.667.815.5000111.5D1191 G1192 K1193 I1195D1189-D1191 PolarHBondContact O-N 2.68Å; D1189-D1191 WeakPolarHBondContact OD1-CA 3.33Å; D1189-D1191 WeakPolarHBondContact OD1-CB 3.5Å; D1189-D1191 PolarHBondContact OD1-N 2.8Å; D1189-G1192 PolarHBondContact O-N 2.91Å; D1189-G1192 PolarHBondContact OD1-N 2.9Å; D1189-K1193 VanDerWaalsContact CG-O 3.27Å; D1189-K1193 PolarHBondContact N-O 3.19Å; D1189-K1193 PolarHBondContact OD1-N 3.38Å; D1189-K1193 VanDerWaalsContact OD1-O 3.13Å; D1189-I1195 HydrophobicContact CB-CG1 4.02Å
1190S77.4Confident79.4Confident123 Ų12366.1 Ų66.186%0.8634%0.344SS*.THydrogen-bonded Turntrans-62.9-17.817846.60000114.2G1192S1190-G1192 VanDerWaalsContact C-N 3.33Å
1191D74.9Confident79.9Confident132 Ų13263.6 Ų63.671%0.70633%0.333SS*.THydrogen-bonded Turntrans-92.92.7178.2-63.1-22.1000111.8D1189 K1193D1189-D1191 PolarHBondContact O-N 2.68Å; D1189-D1191 WeakPolarHBondContact OD1-CA 3.33Å; D1189-D1191 WeakPolarHBondContact OD1-CB 3.5Å; D1189-D1191 PolarHBondContact OD1-N 2.8Å; D1191-K1193 VanDerWaalsContact C-N 3.27Å; D1191-K1193 PolarHBondContact O-N 3.35Å
1192G73.2Confident80.5Confident38 Ų3864.6 Ų64.639%0.39234%0.337SS..SBendtrans76.810.8179.800000114K1188 D1189 S1190K1188-G1192 WeakPolarHBondContact CD-O 3.23Å; K1188-G1192 WeakPolarHBondContact CE-O 3.39Å; D1189-G1192 PolarHBondContact O-N 2.91Å; D1189-G1192 PolarHBondContact OD1-N 2.9Å; S1190-G1192 VanDerWaalsContact C-N 3.33Å
1193K73.8Confident81.4Confident136 Ų13656.1 Ų56.159%0.59130%0.3SS*.SBendtrans-89.7143.4171.5-69.4-178.7-179.7176.10109.1K1188 D1189 D1191 I1195K1188-K1193 CarbonylContact C-O 3.5Å; K1188-K1193 WeakPolarHBondContact CA-O 3.43Å; D1189-K1193 VanDerWaalsContact CG-O 3.27Å; D1189-K1193 PolarHBondContact N-O 3.19Å; D1189-K1193 PolarHBondContact OD1-N 3.38Å; D1189-K1193 VanDerWaalsContact OD1-O 3.13Å; D1191-K1193 VanDerWaalsContact C-N 3.27Å; D1191-K1193 PolarHBondContact O-N 3.35Å; K1193-I1195 PolarHBondContact O-N 2.85Å
1194Y75.5Confident82.3Confident41 Ų4151.5 Ų51.516%0.16128%0.279CS..BIsolated β-bridgetrans-59.9141.4171.6-67.6-82.1000109.1D1186 V1187 K1188 N1197 T1306 V1312D1186-Y1194 WeakPolarHBondContact O-CD1 3.21Å; D1186-Y1194 WeakPolarHBondContact O-CE1 3.29Å; V1187-Y1194 WeakPolarHBondContact O-CA 3.37Å; K1188-Y1194 HydrophobicContact CD-CE1 4.4Å; K1188-Y1194 HydrophobicContact CD-CE2 4.47Å; K1188-Y1194 WeakPolarHBondContact CE-OH 3.45Å; K1188-Y1194 HydrophobicContact CG-CD1 3.79Å; K1188-Y1194 HydrophobicContact CG-CD2 4.32Å; K1188-Y1194 HydrophobicContact CG-CE1 3.74Å; K1188-Y1194 HydrophobicContact CG-CE2 4.27Å; K1188-Y1194 HydrophobicContact CG-CG 4.08Å; Y1194-N1197 VanDerWaalsContact CA-OD1 3.22Å; Y1194-N1197 WeakPolarHBondContact CA-OD1 3.37Å; Y1194-N1197 WeakPolarHBondContact CB-OD1 3.26Å; Y1194-N1197 PolarHBondContact O-ND2 2.78Å; Y1194-N1197 PolarHBondContact O-OD1 2.93Å; Y1194-T1306 HydrophobicContact CD2-CG2 3.83Å; Y1194-T1306 HydrophobicContact CE2-CG2 3.49Å; Y1194-T1306 VanDerWaalsContact CE2-CG2 3.49Å; Y1194-V1312 HydrophobicContact CD1-CB 4.21Å; Y1194-V1312 HydrophobicContact CD1-CG1 4.08Å; Y1194-V1312 HydrophobicContact CD1-CG2 4.35Å; Y1194-V1312 HydrophobicContact CD2-CB 4.37Å; Y1194-V1312 HydrophobicContact CD2-CG2 4.35Å; Y1194-V1312 HydrophobicContact CE1-CB 3.63Å; Y1194-V1312 HydrophobicContact CE1-CG1 3.41Å; Y1194-V1312 VanDerWaalsContact CE1-CG1 3.41Å; Y1194-V1312 HydrophobicContact CE1-CG2 4.26Å; Y1194-V1312 HydrophobicContact CE2-CB 3.83Å; Y1194-V1312 HydrophobicContact CE2-CG2 4.27Å; Y1194-V1312 HydrophobicContact CG-CG2 4.4Å; Y1194-V1312 VanDerWaalsContact CZ-CB 3.41Å
1195I76.5Confident83.1Confident105 Ų10552.5 Ų52.554%0.53828%0.281SS..SBendtrans-69.2-31-180-64.2170.2000109.4V1187 D1189 K1193V1187-I1195 HydrophobicContact CB-CD1 4.03Å; V1187-I1195 HydrophobicContact CG1-CD1 3.89Å; V1187-I1195 WeakPolarHBondContact O-CG1 3.46Å; V1187-I1195 PolarHBondContact O-N 2.88Å; D1189-I1195 HydrophobicContact CB-CG1 4.02Å; K1193-I1195 PolarHBondContact O-N 2.85Å
1196H79Confident83.9Confident5 Ų551 Ų512%0.02327%0.271CS..  trans-136.6112.2178.7-163.585.3000110D1181 E1183 D1184 Y1198D1181-H1196 IonicContact OD1-CE1 2.71Å; D1181-H1196 PolarHBondContact OD1-CE1 2.7Å; D1181-H1196 IonicContact OD1-ND1 2.64Å; D1181-H1196 IonicContact OD1-NE2 2.78Å; D1181-H1196 PolarHBondContact OD1-NE2 2.74Å; D1181-H1196 IonicContact OD2-CE1 3.28Å; D1181-H1196 PolarHBondContact OD2-CE1 3.33Å; D1181-H1196 IonicContact OD2-NE2 3.46Å; D1181-H1196 PolarHBondContact OD2-NE2 3.14Å; E1183-H1196 VanDerWaalsContact O-CB 3.28Å; E1183-H1196 WeakPolarHBondContact O-CB 3.35Å; D1184-H1196 VanDerWaalsContact CA-CD2 3.49Å; D1184-H1196 WeakPolarHBondContact CA-CD2 3.46Å; D1184-H1196 IonicContact OD1-CD2 3.85Å; D1184-H1196 PolarHBondContact OD1-CD2 3.34Å; H1196-Y1198 PolarHBondContact CD2-O 3.49Å; H1196-Y1198 AromaticContact CE1-CD2 3.69Å; H1196-Y1198 AromaticContact CE1-CE1 3.96Å; H1196-Y1198 AromaticContact CE1-CE2 3.12Å; H1196-Y1198 WeakPolarHBondContact CE1-CE2 3.38Å; H1196-Y1198 AromaticContact CE1-CZ 3.27Å; H1196-Y1198 AromaticContact ND1-CZ 3.74Å; H1196-Y1198 AromaticContact NE2-CD2 3.43Å; H1196-Y1198 WeakPolarHBondContact NE2-CD2 3.48Å; H1196-Y1198 AromaticContact NE2-CE2 3.38Å; H1196-Y1198 WeakPolarHBondContact NE2-CE2 3.38Å; H1196-Y1198 AromaticContact NE2-CG 4Å; H1196-Y1198 AromaticContact NE2-CZ 3.86Å; H1196-Y1198 PolarHBondContact NE2-O 2.96Å
1197N81.5Confident84.6Confident67 Ų6751.2 Ų51.236%0.35827%0.272SS..  trans-108.912-163.3-59.30.4000112.8Y1194 Q1303 K1304Y1194-N1197 VanDerWaalsContact CA-OD1 3.22Å; Y1194-N1197 WeakPolarHBondContact CA-OD1 3.37Å; Y1194-N1197 WeakPolarHBondContact CB-OD1 3.26Å; Y1194-N1197 PolarHBondContact O-ND2 2.78Å; Y1194-N1197 PolarHBondContact O-OD1 2.93Å; N1197-Q1303 CarbonylContact O-C 3.56Å; N1197-Q1303 VanDerWaalsContact O-CA 3.32Å; N1197-Q1303 WeakPolarHBondContact O-CA 3.39Å; N1197-K1304 PolarHBondContact O-N 3.42Å
1198Y88Confident84.9Confident45 Ų4549 Ų4918%0.17627%0.265CS..EExtended strand (participates in β ladder)trans-141.9167-172.549-87.7000110.8H1196 Y1200 D1276 I1278 V1302H1196-Y1198 PolarHBondContact CD2-O 3.49Å; H1196-Y1198 AromaticContact CE1-CD2 3.69Å; H1196-Y1198 AromaticContact CE1-CE1 3.96Å; H1196-Y1198 AromaticContact CE1-CE2 3.12Å; H1196-Y1198 WeakPolarHBondContact CE1-CE2 3.38Å; H1196-Y1198 AromaticContact CE1-CZ 3.27Å; H1196-Y1198 AromaticContact ND1-CZ 3.74Å; H1196-Y1198 AromaticContact NE2-CD2 3.43Å; H1196-Y1198 WeakPolarHBondContact NE2-CD2 3.48Å; H1196-Y1198 AromaticContact NE2-CE2 3.38Å; H1196-Y1198 WeakPolarHBondContact NE2-CE2 3.38Å; H1196-Y1198 AromaticContact NE2-CG 4Å; H1196-Y1198 AromaticContact NE2-CZ 3.86Å; H1196-Y1198 PolarHBondContact NE2-O 2.96Å; Y1198-Y1200 WeakPolarHBondContact CE2-OH 3.33Å; Y1198-D1276 PolarHBondContact OH-OD2 3.21Å; Y1198-I1278 HydrophobicContact CD1-CD1 4.49Å; Y1198-I1278 HydrophobicContact CD2-CD1 3.62Å; Y1198-I1278 HydrophobicContact CE1-CD1 4.39Å; Y1198-I1278 HydrophobicContact CE2-CD1 3.43Å; Y1198-I1278 VanDerWaalsContact CE2-CD1 3.43Å; Y1198-I1278 HydrophobicContact CE2-CG1 4.47Å; Y1198-I1278 HydrophobicContact CG-CD1 4.14Å; Y1198-V1302 CarbonylContact C-O 3.54Å; Y1198-V1302 WeakPolarHBondContact CA-O 3.4Å; Y1198-V1302 WeakPolarHBondContact CB-O 3.37Å
1199F90.7Very high85.1Confident0 Ų050.7 Ų50.70%028%0.28CS..EExtended strand (participates in β ladder)trans-154.4178.7169.468.4-72.3000107.5V1178 F1180 I1201 F1239 V1302 K1304 P1314 P1322V1178-F1199 HydrophobicContact CG1-CD2 3.9Å; V1178-F1199 HydrophobicContact CG1-CE2 4.11Å; F1180-F1199 HydrophobicContact CD1-CB 3.65Å; F1180-F1199 HydrophobicContact CD1-CG 4.46Å; F1180-F1199 HydrophobicContact CE1-CB 3.62Å; F1180-F1199 HydrophobicContact CE1-CD2 4.07Å; F1180-F1199 AromaticContact CE1-CG 3.95Å; F1180-F1199 HydrophobicContact CE1-CG 3.95Å; F1180-F1199 HydrophobicContact CZ-CB 4.46Å; F1180-F1199 HydrophobicContact CZ-CD2 4.15Å; F1180-F1199 HydrophobicContact CZ-CG 4.48Å; F1199-I1201 HydrophobicContact CD2-CG1 4.23Å; F1199-I1201 HydrophobicContact CE2-CD1 3.77Å; F1199-I1201 HydrophobicContact CE2-CG1 3.57Å; F1199-I1201 HydrophobicContact CZ-CD1 3.92Å; F1199-I1201 HydrophobicContact CZ-CG1 4.2Å; F1199-F1239 HydrophobicContact CE1-CB 4.5Å; F1199-F1239 AromaticContact CE1-CD1 3.7Å; F1199-F1239 HydrophobicContact CE1-CD1 3.7Å; F1199-F1239 HydrophobicContact CE1-CD2 4.44Å; F1199-F1239 AromaticContact CE1-CE1 3.96Å; F1199-F1239 HydrophobicContact CE1-CE1 3.96Å; F1199-F1239 AromaticContact CE1-CG 3.96Å; F1199-F1239 HydrophobicContact CE1-CG 3.96Å; F1199-F1239 HydrophobicContact CE1-CZ 4.41Å; F1199-F1239 AromaticContact CZ-CD1 3.93Å; F1199-F1239 HydrophobicContact CZ-CD1 3.93Å; F1199-F1239 AromaticContact CZ-CD2 3.87Å; F1199-F1239 HydrophobicContact CZ-CD2 3.87Å; F1199-F1239 HydrophobicContact CZ-CE1 4.02Å; F1199-F1239 AromaticContact CZ-CE2 3.93Å; F1199-F1239 HydrophobicContact CZ-CE2 3.93Å; F1199-F1239 AromaticContact CZ-CG 3.86Å; F1199-F1239 HydrophobicContact CZ-CG 3.86Å; F1199-F1239 HydrophobicContact CZ-CZ 4.01Å; F1199-V1302 HydrophobicContact CD1-CG2 3.76Å; F1199-V1302 HydrophobicContact CD2-CG2 4.06Å; F1199-V1302 HydrophobicContact CE1-CB 4.41Å; F1199-V1302 HydrophobicContact CE1-CG2 3.42Å; F1199-V1302 VanDerWaalsContact CE1-CG2 3.42Å; F1199-V1302 HydrophobicContact CE2-CG2 3.76Å; F1199-V1302 HydrophobicContact CG-CG2 4.06Å; F1199-V1302 HydrophobicContact CZ-CG2 3.43Å; F1199-V1302 VanDerWaalsContact CZ-CG2 3.43Å; F1199-V1302 PolarHBondContact N-O 2.8Å; F1199-V1302 WeakPolarHBondContact O-CG2 3.13Å; F1199-V1302 PolarHBondContact O-N 3.29Å; F1199-K1304 HydrophobicContact CD1-CG 3.93Å; F1199-K1304 HydrophobicContact CE1-CG 4.48Å; F1199-P1314 HydrophobicContact CD1-CG 3.72Å; F1199-P1314 HydrophobicContact CD2-CG 4.18Å; F1199-P1314 HydrophobicContact CE1-CG 3.76Å; F1199-P1314 HydrophobicContact CE2-CG 4.2Å; F1199-P1314 HydrophobicContact CG-CG 3.94Å; F1199-P1314 HydrophobicContact CZ-CG 4Å; F1199-P1322 HydrophobicContact CE2-CG 3.93Å; F1199-P1322 HydrophobicContact CZ-CG 3.97Å
1200Y93.7Very high85.7Confident0 Ų050.3 Ų50.30%028%0.276CS..EExtended strand (participates in β ladder)trans-118.3132.1-172.1-49.2-90.2000111V1178 A1179 D1181 Y1198 V1256 L1264 D1276 Y1277 I1278 I1300 C1301V1178-Y1200 WeakPolarHBondContact CA-O 3.28Å; A1179-Y1200 PolarHBondContact N-O 2.94Å; A1179-Y1200 WeakPolarHBondContact O-CD2 3.32Å; A1179-Y1200 PolarHBondContact O-N 3.23Å; D1181-Y1200 HydrophobicContact CB-CE2 3.78Å; D1181-Y1200 WeakPolarHBondContact OD2-CE2 3.34Å; D1181-Y1200 PolarHBondContact OD2-OH 3.45Å; Y1198-Y1200 WeakPolarHBondContact CE2-OH 3.33Å; Y1200-V1256 HydrophobicContact CD1-CG1 4.48Å; Y1200-V1256 HydrophobicContact CD1-CG2 4.19Å; Y1200-V1256 HydrophobicContact CE1-CG2 4.37Å; Y1200-L1264 HydrophobicContact CD1-CD2 4.25Å; Y1200-L1264 HydrophobicContact CD2-CD1 4.43Å; Y1200-L1264 HydrophobicContact CG-CD1 4.15Å; Y1200-L1264 HydrophobicContact CG-CD2 4.45Å; Y1200-D1276 PolarHBondContact OH-OD1 3.28Å; Y1200-Y1277 HydrophobicContact CD1-CD2 4.42Å; Y1200-Y1277 AromaticContact CD2-CD2 4Å; Y1200-Y1277 HydrophobicContact CD2-CD2 4Å; Y1200-Y1277 HydrophobicContact CD2-CE2 4.45Å; Y1200-Y1277 HydrophobicContact CE1-CD2 4.01Å; Y1200-Y1277 HydrophobicContact CE1-CG 4.46Å; Y1200-Y1277 AromaticContact CE2-CD2 3.6Å; Y1200-Y1277 HydrophobicContact CE2-CD2 3.6Å; Y1200-Y1277 HydrophobicContact CE2-CE2 4.16Å; Y1200-Y1277 HydrophobicContact CG-CD2 4.4Å; Y1200-Y1277 AromaticContact CZ-CD2 3.57Å; Y1200-Y1277 PolarHBondContact OH-N 3.02Å; Y1200-I1278 HydrophobicContact CE1-CG1 4.02Å; Y1200-I1300 WeakPolarHBondContact CA-O 3.05Å; Y1200-C1301 HydrophobicContact CD1-CB 4.46Å; Y1200-C1301 HydrophobicContact CE1-CB 4.45Å
1201I95Very high86.2Confident0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-114.4133.9173-68.2178.6000107.4I1175 F1199 L1203 I1226 F1239 I1300 V1302I1175-I1201 HydrophobicContact CD1-CD1 4Å; I1175-I1201 HydrophobicContact CD1-CG1 4.48Å; I1175-I1201 HydrophobicContact CD1-CG2 4.18Å; I1175-I1201 HydrophobicContact CG1-CG2 4Å; I1175-I1201 HydrophobicContact CG2-CG2 4.08Å; F1199-I1201 HydrophobicContact CD2-CG1 4.23Å; F1199-I1201 HydrophobicContact CE2-CD1 3.77Å; F1199-I1201 HydrophobicContact CE2-CG1 3.57Å; F1199-I1201 HydrophobicContact CZ-CD1 3.92Å; F1199-I1201 HydrophobicContact CZ-CG1 4.2Å; I1201-L1203 HydrophobicContact CG2-CD2 3.85Å; I1201-I1226 HydrophobicContact CD1-CG2 4.23Å; I1201-F1239 HydrophobicContact CD1-CD2 4.37Å; I1201-I1300 HydrophobicContact CB-CD1 4.47Å; I1201-I1300 HydrophobicContact CB-CG1 4.1Å; I1201-I1300 PolarHBondContact N-O 3.47Å; I1201-I1300 VanDerWaalsContact N-O 3.07Å; I1201-I1300 VanDerWaalsContact O-CG1 3.27Å; I1201-I1300 WeakPolarHBondContact O-CG1 3.28Å; I1201-I1300 PolarHBondContact O-N 3.34Å; I1201-V1302 HydrophobicContact CB-CG2 4.43Å; I1201-V1302 HydrophobicContact CD1-CG1 4.32Å; I1201-V1302 HydrophobicContact CD1-CG2 3.69Å; I1201-V1302 HydrophobicContact CG1-CG2 3.75Å
1202K95.8Very high87Confident32 Ų3239.3 Ų39.314%0.13921%0.211CC..EExtended strand (participates in β ladder)trans-93.4126.4169.5-157.3-173.8-166.6-161.60109.1A1176 D1177 E1297 L1298 W1299A1176-K1202 HydrophobicContact CB-CB 4.11Å; A1176-K1202 HydrophobicContact CB-CD 4.36Å; A1176-K1202 HydrophobicContact CB-CG 4.27Å; A1176-K1202 VanDerWaalsContact CB-O 3.29Å; A1176-K1202 WeakPolarHBondContact CB-O 3.24Å; A1176-K1202 PolarHBondContact N-O 3.37Å; D1177-K1202 HydrophobicContact CB-CB 3.75Å; D1177-K1202 HydrophobicContact CB-CD 4.13Å; D1177-K1202 PolarHBondContact O-N 3.39Å; K1202-E1297 WeakPolarHBondContact CE-OE2 3.39Å; K1202-E1297 IonicContact NZ-OE2 3.32Å; K1202-E1297 PolarHBondContact NZ-OE2 3Å; K1202-L1298 CarbonylContact C-O 3.57Å; K1202-L1298 WeakPolarHBondContact CA-O 3.21Å; K1202-W1299 HydrophobicContact CB-CD2 3.81Å; K1202-W1299 HydrophobicContact CB-CE3 3.77Å; K1202-W1299 HydrophobicContact CB-CH2 3.87Å; K1202-W1299 HydrophobicContact CB-CZ2 3.89Å; K1202-W1299 HydrophobicContact CB-CZ3 3.8Å; K1202-W1299 HydrophobicContact CD-CD2 4.39Å; K1202-W1299 HydrophobicContact CD-CZ2 3.83Å; K1202-W1299 HydrophobicContact CG-CD2 3.86Å; K1202-W1299 HydrophobicContact CG-CE3 4.34Å; K1202-W1299 HydrophobicContact CG-CG 4.18Å; K1202-W1299 HydrophobicContact CG-CZ2 4.09Å
1203L95.7Very high87.9Confident0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-97.3143.9173.8-51.8-177.5000109.5I1201 F1206 L1214 I1226 E1297 L1298 I1300 F1328I1201-L1203 HydrophobicContact CG2-CD2 3.85Å; L1203-F1206 HydrophobicContact CB-CE1 4.14Å; L1203-F1206 HydrophobicContact CB-CZ 4.46Å; L1203-F1206 HydrophobicContact CD1-CE1 4.46Å; L1203-F1206 HydrophobicContact CD1-CZ 3.98Å; L1203-L1214 HydrophobicContact CD1-CD2 3.75Å; L1203-I1226 HydrophobicContact CD2-CD1 4.25Å; L1203-E1297 CarbonylContact O-C 3.56Å; L1203-E1297 WeakPolarHBondContact O-CA 3.2Å; L1203-E1297 WeakPolarHBondContact O-CB 3.4Å; L1203-L1298 PolarHBondContact N-O 3.5Å; L1203-L1298 PolarHBondContact O-N 2.98Å; L1203-L1298 VanDerWaalsContact O-N 3.11Å; L1203-I1300 HydrophobicContact CD1-CD1 3.92Å; L1203-I1300 HydrophobicContact CD1-CG1 4.29Å; L1203-I1300 HydrophobicContact CD1-CG2 3.99Å; L1203-I1300 HydrophobicContact CD2-CD1 4Å; L1203-I1300 HydrophobicContact CD2-CG1 4.39Å; L1203-I1300 HydrophobicContact CG-CD1 4.06Å; L1203-I1300 HydrophobicContact CG-CG1 4.12Å; L1203-I1300 HydrophobicContact CG-CG2 4.41Å; L1203-F1328 HydrophobicContact CD2-CE1 4Å; L1203-F1328 HydrophobicContact CD2-CE2 4.3Å; L1203-F1328 HydrophobicContact CD2-CZ 3.57Å
1204H95.3Very high88.7Confident11 Ų1133.3 Ų33.35%0.05118%0.176CC..PPolyproline II helixtrans-63.5165.4166.5-71.6-54.4000111.5Q1170 L1171 E1174 A1176 F1206 E1297Q1170-H1204 HydrophobicContact CB-CB 4.35Å; Q1170-H1204 PolarHBondContact NE2-CE1 3.42Å; Q1170-H1204 PolarHBondContact NE2-ND1 2.66Å; L1171-H1204 PolarHBondContact O-CD2 2.87Å; E1174-H1204 PolarHBondContact O-CD2 3.45Å; A1176-H1204 WeakPolarHBondContact CB-CE1 3.41Å; A1176-H1204 WeakPolarHBondContact CB-ND1 3.39Å; H1204-F1206 WeakPolarHBondContact O-CD1 3.31Å; H1204-F1206 WeakPolarHBondContact O-CE1 3.05Å; H1204-F1206 PolarHBondContact O-N 3.05Å; H1204-E1297 IonicContact CE1-OE1 2.89Å; H1204-E1297 IonicContact ND1-OE1 3.84Å; H1204-E1297 PolarHBondContact ND1-OE1 3.41Å
1205K93.4Very high89.4Confident58 Ų5832 Ų3225%0.25217%0.171SC..PPolyproline II helixtrans-61.6131.1171.7-66.8179.7-163.41630109.8N1166 E1168 L1172 N1207 S1293 E1296 E1297N1166-K1205 WeakPolarHBondContact CB-O 3.32Å; N1166-K1205 PolarHBondContact ND2-O 3.07Å; E1168-K1205 WeakPolarHBondContact OE1-CD 3.37Å; E1168-K1205 IonicContact OE1-NZ 3.19Å; E1168-K1205 PolarHBondContact OE1-NZ 3.23Å; L1172-K1205 WeakPolarHBondContact CD2-O 3.17Å; K1205-N1207 HydrophobicContact CB-CB 4.4Å; K1205-N1207 PolarHBondContact O-N 2.83Å; K1205-S1293 CarbonylContact C-O 3.56Å; K1205-S1293 WeakPolarHBondContact CA-O 3.26Å; K1205-E1296 VanDerWaalsContact CG-C 3.47Å; K1205-E1297 HydrophobicContact CG-CG 4.03Å
1206F94Very high89.9Confident0 Ų030.4 Ų30.40%017%0.174CC..  trans-89.655.8171.2-65.89.5000109.5I1161 L1172 L1203 H1204 G1211 F1212 L1214 S1293 T1294 I1330I1161-F1206 HydrophobicContact CD1-CE1 4.36Å; I1161-F1206 HydrophobicContact CD1-CE2 3.89Å; I1161-F1206 HydrophobicContact CD1-CZ 3.73Å; L1172-F1206 HydrophobicContact CB-CD1 4.12Å; L1172-F1206 HydrophobicContact CB-CE1 4.09Å; L1172-F1206 HydrophobicContact CD1-CB 4.27Å; L1172-F1206 HydrophobicContact CD1-CD1 4.35Å; L1172-F1206 HydrophobicContact CD1-CG 4.24Å; L1172-F1206 HydrophobicContact CD2-CB 4.35Å; L1172-F1206 HydrophobicContact CD2-CD1 3.74Å; L1172-F1206 HydrophobicContact CD2-CE1 4.44Å; L1172-F1206 HydrophobicContact CD2-CG 4.29Å; L1172-F1206 HydrophobicContact CG-CD1 4.29Å; L1172-F1206 WeakPolarHBondContact O-CE1 3.22Å; L1203-F1206 HydrophobicContact CB-CE1 4.14Å; L1203-F1206 HydrophobicContact CB-CZ 4.46Å; L1203-F1206 HydrophobicContact CD1-CE1 4.46Å; L1203-F1206 HydrophobicContact CD1-CZ 3.98Å; H1204-F1206 WeakPolarHBondContact O-CD1 3.31Å; H1204-F1206 WeakPolarHBondContact O-CE1 3.05Å; H1204-F1206 PolarHBondContact O-N 3.05Å; F1206-G1211 CarbonylContact O-C 3.58Å; F1206-G1211 VanDerWaalsContact O-C 3.3Å; F1206-G1211 WeakPolarHBondContact O-CA 3.34Å; F1206-F1212 WeakPolarHBondContact CB-O 3.24Å; F1206-F1212 HydrophobicContact CD2-CD2 4.43Å; F1206-F1212 HydrophobicContact CD2-CE1 4.05Å; F1206-F1212 AromaticContact CD2-CE2 3.97Å; F1206-F1212 HydrophobicContact CD2-CE2 3.97Å; F1206-F1212 AromaticContact CD2-CZ 3.76Å; F1206-F1212 HydrophobicContact CD2-CZ 3.76Å; F1206-F1212 HydrophobicContact CE2-CE1 4.49Å; F1206-F1212 HydrophobicContact CE2-CE2 4.21Å; F1206-F1212 AromaticContact CE2-CZ 3.88Å; F1206-F1212 HydrophobicContact CE2-CZ 3.88Å; F1206-F1212 PolarHBondContact O-N 3.22Å; F1206-L1214 HydrophobicContact CD2-CB 4.28Å; F1206-L1214 HydrophobicContact CE2-CB 4.19Å; F1206-L1214 HydrophobicContact CE2-CD1 4.47Å; F1206-L1214 HydrophobicContact CE2-CD2 4.38Å; F1206-S1293 PolarHBondContact N-O 2.91Å; F1206-T1294 WeakPolarHBondContact O-CG2 3.27Å; F1206-I1330 HydrophobicContact CE2-CD1 3.73Å; F1206-I1330 HydrophobicContact CZ-CD1 3.86Å
1207N90.6Very high90.3Very high29 Ų2932.4 Ų32.416%0.15518%0.183CC..  trans-105.7-173.6175.972.11000110.6N1166 A1167 E1168 K1205 T1294N1166-N1207 WeakPolarHBondContact CA-O 3.21Å; N1166-N1207 WeakPolarHBondContact CB-OD1 3.45Å; A1167-N1207 WeakPolarHBondContact CB-OD1 3.07Å; A1167-N1207 PolarHBondContact N-OD1 3.36Å; E1168-N1207 PolarHBondContact OE1-ND2 3.01Å; E1168-N1207 PolarHBondContact OE2-ND2 2.77Å; E1168-N1207 PolarHBondContact OE2-OD1 2.83Å; E1168-N1207 VanDerWaalsContact OE2-OD1 3.06Å; K1205-N1207 HydrophobicContact CB-CB 4.4Å; K1205-N1207 PolarHBondContact O-N 2.83Å; N1207-T1294 VanDerWaalsContact CB-O 3.29Å; N1207-T1294 WeakPolarHBondContact CB-O 3.47Å
1208G86.2Confident90.5Very high36 Ų3630.1 Ų30.137%0.37117%0.174SC..SBendtrans88.9-174.3-175.500000112.9F1210 G1211G1208-F1210 PolarHBondContact O-N 2.9Å; G1208-F1210 VanDerWaalsContact O-N 3.13Å; G1208-G1211 PolarHBondContact O-N 3.04Å
1209D81.6Confident90.3Very high149 Ų14930.4 Ų30.480%0.79718%0.178SC*.THydrogen-bonded Turntrans-59.1-28.2-171.5-69.2-10.8000113.7
1210F87.5Confident89.7Confident49 Ų4932.7 Ų32.722%0.21520%0.196CC..THydrogen-bonded Turntrans-11717.9179.4-52.8-61.5000113.2I1164 G1208 V1338 A1342 K1345I1164-F1210 HydrophobicContact CD1-CD2 4.5Å; I1164-F1210 HydrophobicContact CG2-CB 3.81Å; G1208-F1210 PolarHBondContact O-N 2.9Å; G1208-F1210 VanDerWaalsContact O-N 3.13Å; F1210-V1338 WeakPolarHBondContact O-CG2 3.37Å; F1210-A1342 HydrophobicContact CB-CB 4.26Å; F1210-A1342 HydrophobicContact CD1-CB 3.58Å; F1210-A1342 HydrophobicContact CD2-CB 4.16Å; F1210-A1342 HydrophobicContact CE1-CB 3.91Å; F1210-A1342 HydrophobicContact CE2-CB 4.44Å; F1210-A1342 HydrophobicContact CG-CB 3.72Å; F1210-A1342 HydrophobicContact CZ-CB 4.34Å; F1210-K1345 HydrophobicContact CE2-CD 4.46Å; F1210-K1345 HydrophobicContact CZ-CD 3.72Å
1211G87.9Confident89.1Confident16 Ų1637.9 Ų37.917%0.16523%0.233CC..  trans-67.8148.217700000112.9F1206 G1208F1206-G1211 CarbonylContact O-C 3.58Å; F1206-G1211 VanDerWaalsContact O-C 3.3Å; F1206-G1211 WeakPolarHBondContact O-CA 3.34Å; G1208-G1211 PolarHBondContact O-N 3.04Å
1212F92.4Very high88.5Confident9 Ų941.5 Ų41.54%0.03925%0.25CC..  trans-147.5153.5175.162.2-80.7000111.4I1161 L1172 F1206 L1214 S1293 I1333 P1336 V1338 L1339I1161-F1212 HydrophobicContact CD1-CE1 4.46Å; I1161-F1212 HydrophobicContact CD1-CZ 4.25Å; L1172-F1212 HydrophobicContact CD1-CE1 4.44Å; F1206-F1212 WeakPolarHBondContact CB-O 3.24Å; F1206-F1212 HydrophobicContact CD2-CD2 4.43Å; F1206-F1212 HydrophobicContact CD2-CE1 4.05Å; F1206-F1212 AromaticContact CD2-CE2 3.97Å; F1206-F1212 HydrophobicContact CD2-CE2 3.97Å; F1206-F1212 AromaticContact CD2-CZ 3.76Å; F1206-F1212 HydrophobicContact CD2-CZ 3.76Å; F1206-F1212 HydrophobicContact CE2-CE1 4.49Å; F1206-F1212 HydrophobicContact CE2-CE2 4.21Å; F1206-F1212 AromaticContact CE2-CZ 3.88Å; F1206-F1212 HydrophobicContact CE2-CZ 3.88Å; F1206-F1212 PolarHBondContact O-N 3.22Å; F1212-L1214 HydrophobicContact CE2-CD1 4.27Å; F1212-L1214 PolarHBondContact O-N 3.24Å; F1212-S1293 PolarHBondContact O-OG 2.85Å; F1212-I1333 HydrophobicContact CE2-CD1 4.19Å; F1212-I1333 HydrophobicContact CZ-CD1 4.46Å; F1212-P1336 HydrophobicContact CB-CB 4.18Å; F1212-P1336 HydrophobicContact CD1-CB 4.21Å; F1212-P1336 HydrophobicContact CD1-CG 4.22Å; F1212-P1336 HydrophobicContact CD2-CB 4.08Å; F1212-P1336 HydrophobicContact CD2-CG 3.63Å; F1212-P1336 HydrophobicContact CE1-CG 4.29Å; F1212-P1336 HydrophobicContact CE2-CG 3.7Å; F1212-P1336 HydrophobicContact CG-CB 3.89Å; F1212-P1336 HydrophobicContact CG-CG 3.91Å; F1212-P1336 HydrophobicContact CZ-CG 4.04Å; F1212-V1338 HydrophobicContact CB-CG2 3.74Å; F1212-V1338 HydrophobicContact CD1-CG2 3.88Å; F1212-V1338 HydrophobicContact CG-CG2 4.16Å; F1212-L1339 HydrophobicContact CD1-CD2 4.38Å; F1212-L1339 HydrophobicContact CD1-CG 4.31Å; F1212-L1339 HydrophobicContact CE1-CD1 3.87Å; F1212-L1339 HydrophobicContact CE1-CD2 3.99Å; F1212-L1339 HydrophobicContact CE1-CG 3.98Å; F1212-L1339 HydrophobicContact CZ-CD1 4.15Å
1213D91.6Very high88Confident43 Ų4343.4 Ų43.423%0.2327%0.267CS..  trans-79.3112.9171-177.19000109.6F1215 A1216 H1217 S1293 T1294D1213-F1215 VanDerWaalsContact C-N 3.34Å; D1213-F1215 PolarHBondContact O-N 3.24Å; D1213-F1215 PolarHBondContact OD1-N 3.4Å; D1213-A1216 HydrophobicContact CB-CB 3.89Å; D1213-A1216 PolarHBondContact O-N 3.4Å; D1213-H1217 PolarHBondContact O-N 2.9Å; D1213-H1217 PolarHBondContact O-ND1 2.63Å; D1213-S1293 WeakPolarHBondContact CA-OG 3.37Å; D1213-T1294 HydrophobicContact CB-CG2 4.08Å
1214L91.7Very high87.7Confident4 Ų444 Ų442%0.02127%0.272CS..THydrogen-bonded Turntrans-58-46.1-177.2175.760.4000111.3L1203 F1206 F1212 A1216 H1217 A1218 I1241 S1293 I1330 I1333L1203-L1214 HydrophobicContact CD1-CD2 3.75Å; F1206-L1214 HydrophobicContact CD2-CB 4.28Å; F1206-L1214 HydrophobicContact CE2-CB 4.19Å; F1206-L1214 HydrophobicContact CE2-CD1 4.47Å; F1206-L1214 HydrophobicContact CE2-CD2 4.38Å; F1212-L1214 HydrophobicContact CE2-CD1 4.27Å; F1212-L1214 PolarHBondContact O-N 3.24Å; L1214-A1216 VanDerWaalsContact C-N 3.31Å; L1214-A1216 PolarHBondContact O-N 2.86Å; L1214-H1217 CarbonylContact O-C 3.26Å; L1214-H1217 PolarHBondContact O-N 3.06Å; L1214-A1218 PolarHBondContact O-N 3.47Å; L1214-I1241 HydrophobicContact CD2-CD1 4.35Å; L1214-S1293 PolarHBondContact N-OG 2.85Å; L1214-I1330 HydrophobicContact CD1-CD1 3.79Å; L1214-I1330 HydrophobicContact CD1-CG2 4.19Å; L1214-I1330 HydrophobicContact CD2-CD1 4.4Å; L1214-I1333 HydrophobicContact CD1-CG2 4.09Å
1215F90Very high87.6Confident14 Ų1446.4 Ų46.46%0.06128%0.282CS..THydrogen-bonded Turntrans-76.8-19.4-174.2-69.7-77.6000112.8D1213 H1217 C1243 C1252 N1254 L1298 I1300D1213-F1215 VanDerWaalsContact C-N 3.34Å; D1213-F1215 PolarHBondContact O-N 3.24Å; D1213-F1215 PolarHBondContact OD1-N 3.4Å; F1215-H1217 VanDerWaalsContact C-N 3.27Å; F1215-C1243 HydrophobicContact CD1-CB 4.27Å; F1215-C1243 HydrophobicContact CE1-CB 3.88Å; F1215-C1252 VanDerWaalsContact CD1-SG 3.57Å; F1215-N1254 HydrophobicContact CD1-CB 4.43Å; F1215-N1254 HydrophobicContact CD2-CB 4.06Å; F1215-N1254 HydrophobicContact CE1-CB 3.94Å; F1215-N1254 HydrophobicContact CE2-CB 3.54Å; F1215-N1254 HydrophobicContact CG-CB 4.49Å; F1215-N1254 HydrophobicContact CZ-CB 3.46Å; F1215-N1254 VanDerWaalsContact CZ-CB 3.46Å; F1215-N1254 VanDerWaalsContact CZ-CG 3.5Å; F1215-L1298 HydrophobicContact CD2-CD1 3.91Å; F1215-L1298 HydrophobicContact CE2-CD1 3.63Å; F1215-I1300 HydrophobicContact CE2-CG2 4.24Å; F1215-I1300 HydrophobicContact CZ-CG2 3.93Å
1216A86Confident87.5Confident72 Ų7243.7 Ų43.760%0.59527%0.27SS*.THydrogen-bonded Turntrans-72.9-18.4167.400000113.4D1213 L1214D1213-A1216 HydrophobicContact CB-CB 3.89Å; D1213-A1216 PolarHBondContact O-N 3.4Å; L1214-A1216 VanDerWaalsContact C-N 3.31Å; L1214-A1216 PolarHBondContact O-N 2.86Å
1217H88.4Confident87.4Confident46 Ų4645.3 Ų45.321%0.21328%0.279CS..SBendtrans-107.10.6180-69.477.1000113.4D1213 L1214 F1215 I1333 K1334 P1336D1213-H1217 PolarHBondContact O-N 2.9Å; D1213-H1217 PolarHBondContact O-ND1 2.63Å; L1214-H1217 CarbonylContact O-C 3.26Å; L1214-H1217 PolarHBondContact O-N 3.06Å; F1215-H1217 VanDerWaalsContact C-N 3.27Å; H1217-I1333 HydrophobicContact CB-CB 4.49Å; H1217-I1333 CarbonylContact O-C 3.49Å; H1217-I1333 WeakPolarHBondContact O-CA 3.48Å; H1217-I1333 WeakPolarHBondContact O-CB 3.44Å; H1217-K1334 PolarHBondContact CD2-O 3.33Å; H1217-K1334 PolarHBondContact O-N 2.92Å; H1217-P1336 HydrophobicContact CB-CG 4.4Å; H1217-P1336 VanDerWaalsContact CD2-CA 3.49Å; H1217-P1336 WeakPolarHBondContact CD2-CA 3.25Å
1218A85.4Confident87.3Confident20 Ų2044.3 Ų44.317%0.16527%0.274CS..BIsolated β-bridgetrans-59.7146.7175.900000111.4L1214 W1245 C1252L1214-A1218 PolarHBondContact O-N 3.47Å; A1218-W1245 HydrophobicContact CB-CH2 4.11Å; A1218-W1245 HydrophobicContact CB-CZ2 3.75Å; A1218-W1245 VanDerWaalsContact O-CH2 3.31Å; A1218-W1245 WeakPolarHBondContact O-CH2 3.46Å; A1218-C1252 HydrophobicContact CB-CB 3.82Å; A1218-C1252 VanDerWaalsContact CB-SG 3.55Å
1219L84.1Confident87.2Confident51 Ų5146.3 Ų46.327%0.26728%0.275SS..  trans-103.6130.7175.4-70.5170.8000110.5S1221 E1222 W1245 K1334L1219-S1221 PolarHBondContact O-N 2.97Å; L1219-E1222 CarbonylContact O-C 3.59Å; L1219-W1245 WeakPolarHBondContact O-CZ2 3.39Å; L1219-K1334 HydrophobicContact CD2-CB 3.96Å; L1219-K1334 HydrophobicContact CG-CB 4.41Å
1220A78.5Confident87.2Confident47 Ų4743.8 Ų43.839%0.38826%0.257SS..SBendtrans-73-19.6174.600000112.2W1245 K1249A1220-W1245 VanDerWaalsContact CA-CZ2 3.44Å; A1220-W1245 HydrophobicContact CB-CD2 4.02Å; A1220-W1245 HydrophobicContact CB-CE3 3.97Å; A1220-W1245 HydrophobicContact CB-CH2 3.83Å; A1220-W1245 HydrophobicContact CB-CZ2 3.91Å; A1220-W1245 HydrophobicContact CB-CZ3 3.87Å; A1220-W1245 VanDerWaalsContact N-CH2 3.33Å; A1220-K1249 HydrophobicContact CB-CB 4.13Å; A1220-K1249 HydrophobicContact CB-CD 4.49Å
1221S79.5Confident86.8Confident110 Ų11042.9 Ų42.977%0.76926%0.257SS*.SBendtrans-84.7-25.2-179.6530000113.7L1219L1219-S1221 PolarHBondContact O-N 2.97Å
1222E82.4Confident86Confident76 Ų7648.5 Ų48.536%0.35528%0.283SS..SBendtrans-145.5124.5-178.5-175.4178.4-175.600109.4L1219 A1224 G1332L1219-E1222 CarbonylContact O-C 3.59Å; E1222-A1224 PolarHBondContact O-N 2.68Å; E1222-G1332 VanDerWaalsContact O-O 3.12Å
1223S84.9Confident84.9Confident72 Ų7249.3 Ų49.350%0.50329%0.294SS..  trans-66.6134.4178.9-580000111.1T1240S1223-T1240 VanDerWaalsContact CB-CG2 3.42Å
1224A90.5Very high84.1Confident12 Ų1247.6 Ų47.610%0.09929%0.286CS..  trans-61.4146.5174.500000110.9E1222 I1241 T1331 I1333E1222-A1224 PolarHBondContact O-N 2.68Å; A1224-I1241 HydrophobicContact CB-CB 4.27Å; A1224-I1241 HydrophobicContact CB-CD1 3.92Å; A1224-I1241 HydrophobicContact CB-CG1 4.32Å; A1224-I1241 WeakPolarHBondContact O-CB 3.35Å; A1224-I1241 PolarHBondContact O-N 2.87Å; A1224-T1331 CarbonylContact C-O 3.53Å; A1224-T1331 WeakPolarHBondContact CA-O 3.03Å; A1224-I1333 HydrophobicContact CB-CG2 3.66Å
1225K92.6Very high83.2Confident62 Ų6249.7 Ų49.727%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-136.1144.5-179.4-50.5-173.9-179175.60112.3S1238 F1239 I1330 T1331K1225-S1238 WeakPolarHBondContact CD-OG 3.45Å; K1225-F1239 CarbonylContact C-O 3.52Å; K1225-F1239 VanDerWaalsContact CA-O 3.24Å; K1225-F1239 WeakPolarHBondContact CA-O 3.13Å; K1225-I1330 VanDerWaalsContact O-CA 3.25Å; K1225-I1330 WeakPolarHBondContact O-CA 3.46Å; K1225-T1331 PolarHBondContact N-O 3.29Å; K1225-T1331 PolarHBondContact O-N 3.47Å
1226I92.3Very high82.5Confident0 Ų052.6 Ų52.60%033%0.326CS..EExtended strand (participates in β ladder)trans-92.2110.5167.3-60.4-64.7000107.9I1201 L1203 S1238 F1239 I1241 I1300 V1302 F1328 I1330I1201-I1226 HydrophobicContact CD1-CG2 4.23Å; L1203-I1226 HydrophobicContact CD2-CD1 4.25Å; I1226-S1238 WeakPolarHBondContact O-CA 3.45Å; I1226-F1239 HydrophobicContact CB-CB 4.49Å; I1226-F1239 PolarHBondContact N-O 3.28Å; I1226-F1239 PolarHBondContact O-N 3.38Å; I1226-I1241 HydrophobicContact CD1-CD1 3.96Å; I1226-I1241 HydrophobicContact CD1-CG1 4.48Å; I1226-I1241 HydrophobicContact CG1-CD1 4.02Å; I1226-I1241 HydrophobicContact CG1-CG1 3.98Å; I1226-I1300 HydrophobicContact CD1-CD1 3.98Å; I1226-I1300 HydrophobicContact CG1-CD1 3.84Å; I1226-V1302 HydrophobicContact CG1-CG1 4.11Å; I1226-F1328 HydrophobicContact CD1-CD2 3.65Å; I1226-F1328 HydrophobicContact CD1-CE2 3.59Å; I1226-F1328 HydrophobicContact CD1-CG 4.42Å; I1226-F1328 HydrophobicContact CD1-CZ 4.29Å; I1226-F1328 HydrophobicContact CG2-CB 3.67Å; I1226-F1328 HydrophobicContact CG2-CD1 4.41Å; I1226-F1328 HydrophobicContact CG2-CD2 3.92Å; I1226-F1328 HydrophobicContact CG2-CG 3.74Å; I1226-I1330 HydrophobicContact CD1-CD1 4.5Å; I1226-I1330 HydrophobicContact CD1-CG1 4.12Å
1227N91.3Very high82.3Confident34 Ų3449.2 Ų49.218%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-102.6116174.8-53.6-78.5000108.9I1229 S1238 F1328 V1329 T1331N1227-I1229 PolarHBondContact O-N 3.37Å; N1227-S1238 WeakPolarHBondContact OD1-CB 3.09Å; N1227-S1238 PolarHBondContact OD1-OG 2.75Å; N1227-F1328 CarbonylContact O-C 3.51Å; N1227-F1328 WeakPolarHBondContact O-CA 3.36Å; N1227-F1328 WeakPolarHBondContact O-CB 3.47Å; N1227-V1329 HydrophobicContact CB-CG2 3.93Å; N1227-V1329 PolarHBondContact N-O 2.87Å; N1227-V1329 PolarHBondContact ND2-O 3.15Å; N1227-V1329 PolarHBondContact O-N 2.98Å; N1227-T1331 VanDerWaalsContact ND2-CG2 3.29Å; N1227-T1331 WeakPolarHBondContact ND2-CG2 3.5Å; N1227-T1331 PolarHBondContact ND2-OG1 3.11Å
1228L88.9Confident82.4Confident8 Ų848.1 Ų48.14%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-68.5128.2176.8-64.2-178.5000110.2I1175 C1234 C1237 F1239 P1322 D1326 F1328I1175-L1228 HydrophobicContact CD1-CD2 3.88Å; L1228-C1234 HydrophobicContact CD1-CB 3.69Å; L1228-C1237 PolarHBondContact N-O 2.75Å; L1228-F1239 HydrophobicContact CD1-CE2 3.72Å; L1228-F1239 HydrophobicContact CD1-CZ 4.29Å; L1228-F1239 HydrophobicContact CG-CE2 3.9Å; L1228-P1322 HydrophobicContact CD1-CB 4.39Å; L1228-P1322 HydrophobicContact CD1-CG 4.12Å; L1228-D1326 HydrophobicContact CD2-CB 4.44Å; L1228-F1328 HydrophobicContact CD2-CB 4.19Å
1229I83.7Confident82.7Confident78 Ų7847.1 Ų47.140%0.429%0.287SS..EExtended strand (participates in β ladder)trans-109-22.917757.8163.2000112.5N1162 N1227 L1327 V1329N1162-I1229 HydrophobicContact CB-CD1 4.2Å; N1227-I1229 PolarHBondContact O-N 3.37Å; I1229-L1327 HydrophobicContact CD1-CB 4.1Å; I1229-L1327 HydrophobicContact CG1-CB 3.76Å; I1229-L1327 WeakPolarHBondContact CG1-O 3.46Å; I1229-L1327 PolarHBondContact N-O 3.03Å; I1229-V1329 HydrophobicContact CD1-CG1 4.04Å; I1229-V1329 HydrophobicContact CG2-CB 4.44Å; I1229-V1329 HydrophobicContact CG2-CG1 3.94Å; I1229-V1329 HydrophobicContact CG2-CG2 3.86Å
1230K81.6Confident83.1Confident96 Ų9646 Ų4642%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-150.7118.8171.5-169.6175.5-175.7172.10108.4D1326 L1327K1230-D1326 CarbonylContact O-C 3.59Å; K1230-D1326 WeakPolarHBondContact O-CA 3.44Å; K1230-L1327 HydrophobicContact CB-CB 3.97Å; K1230-L1327 HydrophobicContact CB-CD1 4.08Å; K1230-L1327 HydrophobicContact CB-CG 4.17Å; K1230-L1327 HydrophobicContact CD-CD1 4.15Å; K1230-L1327 PolarHBondContact N-O 3.48Å; K1230-L1327 PolarHBondContact O-N 3.13Å
1231S78.6Confident83.8Confident30 Ų3044.3 Ų44.321%0.2127%0.267CS..  trans-139.9136.9178.8169.50000111.4G1233 C1234 D1326S1231-G1233 PolarHBondContact O-N 2.84Å; S1231-G1233 PolarHBondContact OG-N 3.17Å; S1231-C1234 WeakPolarHBondContact CB-O 3.34Å; S1231-C1234 WeakPolarHBondContact OG-CB 3.36Å; S1231-C1234 PolarHBondContact OG-N 3.16Å; S1231-C1234 PolarHBondContact OG-O 3.44Å; S1231-D1326 VanDerWaalsContact CA-OD1 3.24Å; S1231-D1326 WeakPolarHBondContact CA-OD1 3.36Å; S1231-D1326 VanDerWaalsContact CB-CG 3.47Å; S1231-D1326 WeakPolarHBondContact CB-OD2 3.25Å; S1231-D1326 PolarHBondContact OG-OD1 3.44Å; S1231-D1326 PolarHBondContact OG-OD2 3.47Å
1232N71.4Confident84.3Confident134 Ų13441.4 Ų41.472%0.71724%0.243SC*.SBendtrans-86.614.7-177.8-79-16.8000113.3Q1323 D1326N1232-Q1323 PolarHBondContact O-NE2 2.9Å; N1232-D1326 PolarHBondContact N-OD1 3.39Å
1233G69.3Low84.6Confident26 Ų2639.2 Ų39.227%0.26824%0.235SC..SBendtrans-171.5-14.5-174.100000115.8S1231 F1320 K1321S1231-G1233 PolarHBondContact O-N 2.84Å; S1231-G1233 PolarHBondContact OG-N 3.17Å; G1233-F1320 CarbonylContact O-C 3.52Å; G1233-F1320 VanDerWaalsContact O-CA 3.22Å; G1233-F1320 WeakPolarHBondContact O-CA 3.49Å; G1233-K1321 CarbonylContact C-O 3.49Å; G1233-K1321 PolarHBondContact O-N 2.92Å
1234C74.6Confident84.8Confident8 Ų837.8 Ų37.85%0.05422%0.219CC..SBendtrans-117.5137.3172.7-153.50000109.8L1228 S1231 P1322L1228-C1234 HydrophobicContact CD1-CB 3.69Å; S1231-C1234 WeakPolarHBondContact CB-O 3.34Å; S1231-C1234 WeakPolarHBondContact OG-CB 3.36Å; S1231-C1234 PolarHBondContact OG-N 3.16Å; S1231-C1234 PolarHBondContact OG-O 3.44Å; C1234-P1322 HydrophobicContact CB-CG 4.14Å
1235P72.6Confident84.7Confident47 Ų4740.2 Ų40.231%0.30523%0.226SC..  trans-60.4167.8168.5-22.736.2000111.4C1237 L1309 M1313P1235-C1237 PolarHBondContact O-N 2.79Å; P1235-C1237 PolarHBondContact O-SG 2.79Å; P1235-L1309 HydrophobicContact CB-CD1 3.57Å; P1235-L1309 HydrophobicContact CG-CD1 3.48Å; P1235-L1309 VanDerWaalsContact CG-CD1 3.48Å; P1235-M1313 HydrophobicContact CG-CE 4.22Å
1236A75.3Confident84.2Confident75 Ų7538.1 Ų38.162%0.6222%0.218SC*.SBendtrans-64.568.9-179.200000113.5
1237C82.5Confident83.5Confident1 Ų143.6 Ų43.61%0.00726%0.256CS..  trans-89.5160-176.9-59.10000111.6L1228 P1235 F1239 D1305 M1313L1228-C1237 PolarHBondContact N-O 2.75Å; P1235-C1237 PolarHBondContact O-N 2.79Å; P1235-C1237 PolarHBondContact O-SG 2.79Å; C1237-F1239 HydrophobicContact CB-CE1 3.83Å; C1237-F1239 HydrophobicContact CB-CE2 4.2Å; C1237-F1239 HydrophobicContact CB-CZ 3.6Å; C1237-D1305 WeakPolarHBondContact CA-OD2 3.37Å; C1237-D1305 HydrophobicContact CB-CB 4.12Å; C1237-D1305 WeakPolarHBondContact CB-OD2 3.44Å; C1237-M1313 HydrophobicContact CB-CB 4.39Å; C1237-M1313 VanDerWaalsContact SG-CB 3.57Å
1238S90.1Very high82.7Confident23 Ų2346.5 Ų46.516%0.16128%0.275CS..EExtended strand (participates in β ladder)trans-119.2108.2179.7-172.90000110.7K1225 I1226 N1227 D1305K1225-S1238 WeakPolarHBondContact CD-OG 3.45Å; I1226-S1238 WeakPolarHBondContact O-CA 3.45Å; N1227-S1238 WeakPolarHBondContact OD1-CB 3.09Å; N1227-S1238 PolarHBondContact OD1-OG 2.75Å; S1238-D1305 PolarHBondContact N-OD2 3.02Å; S1238-D1305 WeakPolarHBondContact O-CB 3.47Å
1239F91.9Very high82.3Confident0 Ų052.6 Ų52.60%030%0.301CS..EExtended strand (participates in β ladder)trans-100.6122.1-177.7-49.5-65.1000111.4F1199 I1201 K1225 I1226 L1228 C1237 V1302 D1305 M1313 P1322F1199-F1239 HydrophobicContact CE1-CB 4.5Å; F1199-F1239 AromaticContact CE1-CD1 3.7Å; F1199-F1239 HydrophobicContact CE1-CD1 3.7Å; F1199-F1239 HydrophobicContact CE1-CD2 4.44Å; F1199-F1239 AromaticContact CE1-CE1 3.96Å; F1199-F1239 HydrophobicContact CE1-CE1 3.96Å; F1199-F1239 AromaticContact CE1-CG 3.96Å; F1199-F1239 HydrophobicContact CE1-CG 3.96Å; F1199-F1239 HydrophobicContact CE1-CZ 4.41Å; F1199-F1239 AromaticContact CZ-CD1 3.93Å; F1199-F1239 HydrophobicContact CZ-CD1 3.93Å; F1199-F1239 AromaticContact CZ-CD2 3.87Å; F1199-F1239 HydrophobicContact CZ-CD2 3.87Å; F1199-F1239 HydrophobicContact CZ-CE1 4.02Å; F1199-F1239 AromaticContact CZ-CE2 3.93Å; F1199-F1239 HydrophobicContact CZ-CE2 3.93Å; F1199-F1239 AromaticContact CZ-CG 3.86Å; F1199-F1239 HydrophobicContact CZ-CG 3.86Å; F1199-F1239 HydrophobicContact CZ-CZ 4.01Å; I1201-F1239 HydrophobicContact CD1-CD2 4.37Å; K1225-F1239 CarbonylContact C-O 3.52Å; K1225-F1239 VanDerWaalsContact CA-O 3.24Å; K1225-F1239 WeakPolarHBondContact CA-O 3.13Å; I1226-F1239 HydrophobicContact CB-CB 4.49Å; I1226-F1239 PolarHBondContact N-O 3.28Å; I1226-F1239 PolarHBondContact O-N 3.38Å; L1228-F1239 HydrophobicContact CD1-CE2 3.72Å; L1228-F1239 HydrophobicContact CD1-CZ 4.29Å; L1228-F1239 HydrophobicContact CG-CE2 3.9Å; C1237-F1239 HydrophobicContact CB-CE1 3.83Å; C1237-F1239 HydrophobicContact CB-CE2 4.2Å; C1237-F1239 HydrophobicContact CB-CZ 3.6Å; F1239-V1302 HydrophobicContact CB-CB 3.84Å; F1239-V1302 HydrophobicContact CB-CG1 4.38Å; F1239-V1302 HydrophobicContact CB-CG2 4.27Å; F1239-D1305 HydrophobicContact CD1-CB 3.83Å; F1239-D1305 HydrophobicContact CE1-CB 3.83Å; F1239-M1313 HydrophobicContact CE1-CB 4.41Å; F1239-M1313 VanDerWaalsContact CE1-O 3.3Å; F1239-M1313 WeakPolarHBondContact CE1-O 3.34Å; F1239-P1322 HydrophobicContact CE2-CG 3.58Å; F1239-P1322 HydrophobicContact CZ-CG 3.75Å
1240T92.8Very high81.9Confident28 Ų2854.6 Ų54.617%0.17231%0.313CS..EExtended strand (participates in β ladder)trans-77.3126.7-179.3-590000110.4S1223 D1242 V1302 Q1303S1223-T1240 VanDerWaalsContact CB-CG2 3.42Å; T1240-D1242 PolarHBondContact O-N 3.04Å; T1240-V1302 CarbonylContact O-C 3.54Å; T1240-V1302 WeakPolarHBondContact O-CA 3.37Å; T1240-Q1303 PolarHBondContact O-N 2.86Å
1241I93.8Very high82Confident10 Ų1055.2 Ų55.25%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-73.2125176.8-53.3-179.1000108.7L1214 A1224 I1226 I1300 V1302L1214-I1241 HydrophobicContact CD2-CD1 4.35Å; A1224-I1241 HydrophobicContact CB-CB 4.27Å; A1224-I1241 HydrophobicContact CB-CD1 3.92Å; A1224-I1241 HydrophobicContact CB-CG1 4.32Å; A1224-I1241 WeakPolarHBondContact O-CB 3.35Å; A1224-I1241 PolarHBondContact O-N 2.87Å; I1226-I1241 HydrophobicContact CD1-CD1 3.96Å; I1226-I1241 HydrophobicContact CD1-CG1 4.48Å; I1226-I1241 HydrophobicContact CG1-CD1 4.02Å; I1226-I1241 HydrophobicContact CG1-CG1 3.98Å; I1241-I1300 HydrophobicContact CD1-CD1 3.98Å; I1241-I1300 HydrophobicContact CG1-CD1 4.04Å; I1241-I1300 HydrophobicContact CG2-CB 4.36Å; I1241-I1300 HydrophobicContact CG2-CD1 4.35Å; I1241-V1302 HydrophobicContact CG1-CG1 4.2Å
1242D89.1Confident82.5Confident50 Ų5054.2 Ų54.227%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-86.7125.4174.2-167.441.1000110T1240 N1255 C1301T1240-D1242 PolarHBondContact O-N 3.04Å; D1242-N1255 PolarHBondContact O-OD1 3.24Å; D1242-N1255 PolarHBondContact OD2-ND2 3.44Å; D1242-C1301 HydrophobicContact CB-CB 4.1Å; D1242-C1301 PolarHBondContact N-O 3.25Å
1243C89.3Confident83.5Confident29 Ų2949 Ų4920%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-141.1157.1177.899.10000111.5F1215 W1245 C1252 Y1253F1215-C1243 HydrophobicContact CD1-CB 4.27Å; F1215-C1243 HydrophobicContact CE1-CB 3.88Å; C1243-W1245 PolarHBondContact SG-NE1 3.27Å; C1243-W1245 VanDerWaalsContact SG-NE1 3.41Å; C1243-C1252 WeakPolarHBondContact CB-SG 3.42Å; C1243-C1252 WeakPolarHBondContact SG-CB 3.44Å; C1243-C1252 CovalentContact SG-SG 2.07Å; C1243-C1252 PolarHBondContact SG-SG 2.74Å; C1243-Y1253 WeakPolarHBondContact CB-O 3.42Å
1244Y88Confident84.6Confident42 Ų4247.7 Ų47.717%0.16527%0.266CS..EExtended strand (participates in β ladder)trans-96.1122.9174.3172.8-93.7000110.6N1246 C1252 Y1253 D1281 V1284 E1285Y1244-N1246 HydrophobicContact CE1-CB 4.45Å; Y1244-C1252 CarbonylContact O-C 3.42Å; Y1244-C1252 WeakPolarHBondContact O-CA 3.35Å; Y1244-Y1253 HydrophobicContact CD1-CD2 4.03Å; Y1244-Y1253 HydrophobicContact CD1-CG 4.46Å; Y1244-Y1253 HydrophobicContact CE1-CD2 4.46Å; Y1244-Y1253 PolarHBondContact N-O 3.32Å; Y1244-Y1253 PolarHBondContact O-N 3.46Å; Y1244-D1281 HydrophobicContact CD2-CB 3.94Å; Y1244-D1281 HydrophobicContact CE2-CB 3.66Å; Y1244-V1284 HydrophobicContact CD1-CB 3.91Å; Y1244-V1284 HydrophobicContact CD1-CG1 3.98Å; Y1244-V1284 HydrophobicContact CD2-CG2 4.48Å; Y1244-V1284 HydrophobicContact CG-CB 3.9Å; Y1244-V1284 HydrophobicContact CG-CG1 4.01Å; Y1244-V1284 HydrophobicContact CG-CG2 4.14Å; Y1244-E1285 HydrophobicContact CD1-CG 4.14Å; Y1244-E1285 HydrophobicContact CE1-CG 3.4Å; Y1244-E1285 VanDerWaalsContact CE1-OE1 3.27Å; Y1244-E1285 WeakPolarHBondContact CE1-OE1 3.48Å; Y1244-E1285 PolarHBondContact OH-OE1 3.38Å
1245W88.5Confident85.4Confident63 Ų6347.7 Ų47.724%0.23927%0.265CS..EExtended strand (participates in β ladder)trans-93.1133.6168.9-73.587000109.8A1218 L1219 A1220 C1243 K1249 C1252A1218-W1245 HydrophobicContact CB-CH2 4.11Å; A1218-W1245 HydrophobicContact CB-CZ2 3.75Å; A1218-W1245 VanDerWaalsContact O-CH2 3.31Å; A1218-W1245 WeakPolarHBondContact O-CH2 3.46Å; L1219-W1245 WeakPolarHBondContact O-CZ2 3.39Å; A1220-W1245 VanDerWaalsContact CA-CZ2 3.44Å; A1220-W1245 HydrophobicContact CB-CD2 4.02Å; A1220-W1245 HydrophobicContact CB-CE3 3.97Å; A1220-W1245 HydrophobicContact CB-CH2 3.83Å; A1220-W1245 HydrophobicContact CB-CZ2 3.91Å; A1220-W1245 HydrophobicContact CB-CZ3 3.87Å; A1220-W1245 VanDerWaalsContact N-CH2 3.33Å; C1243-W1245 PolarHBondContact SG-NE1 3.27Å; C1243-W1245 VanDerWaalsContact SG-NE1 3.41Å; W1245-K1249 HydrophobicContact CB-CG 4.43Å; W1245-K1249 HydrophobicContact CE3-CB 4.37Å; W1245-K1249 WeakPolarHBondContact CZ3-O 3.4Å; W1245-C1252 HydrophobicContact CD2-CB 3.76Å; W1245-C1252 HydrophobicContact CE3-CB 3.89Å; W1245-C1252 HydrophobicContact CG-CB 4.42Å; W1245-C1252 HydrophobicContact CH2-CB 3.76Å; W1245-C1252 HydrophobicContact CZ2-CB 3.58Å; W1245-C1252 HydrophobicContact CZ3-CB 3.91Å
1246N82.5Confident86.3Confident19 Ų1945.4 Ų45.410%0.10225%0.25CS..PPolyproline II helixtrans-62.1166.4171.271.7-12000111.9Y1244 T1248 K1249 N1250 K1251 Y1253 E1285Y1244-N1246 HydrophobicContact CE1-CB 4.45Å; N1246-T1248 PolarHBondContact ND2-OG1 2.94Å; N1246-T1248 PolarHBondContact O-N 2.95Å; N1246-T1248 PolarHBondContact OD1-OG1 2.62Å; N1246-K1249 WeakPolarHBondContact O-CA 3.3Å; N1246-K1249 PolarHBondContact O-N 2.84Å; N1246-K1249 PolarHBondContact OD1-N 3.15Å; N1246-K1249 VanDerWaalsContact OD1-N 3.14Å; N1246-N1250 VanDerWaalsContact CG-OD1 3.32Å; N1246-N1250 PolarHBondContact ND2-OD1 2.86Å; N1246-N1250 PolarHBondContact OD1-N 3.46Å; N1246-N1250 VanDerWaalsContact OD1-N 3.13Å; N1246-N1250 PolarHBondContact OD1-OD1 2.58Å; N1246-K1251 PolarHBondContact N-O 2.91Å; N1246-K1251 PolarHBondContact OD1-N 3.15Å; N1246-K1251 PolarHBondContact OD1-O 2.81Å; N1246-Y1253 HydrophobicContact CB-CE2 4.23Å; N1246-E1285 WeakPolarHBondContact CB-OE1 3.42Å
1247S78Confident87Confident115 Ų11542.7 Ų42.780%0.80423%0.225SC*.THydrogen-bonded Turntrans-54-30.9-175.557.90000115
1248T75.5Confident87.3Confident95 Ų9542.9 Ų42.958%0.58323%0.227SC*.THydrogen-bonded Turntrans-85.3-5.117740.80000114.4N1246 N1250N1246-T1248 PolarHBondContact ND2-OG1 2.94Å; N1246-T1248 PolarHBondContact O-N 2.95Å; N1246-T1248 PolarHBondContact OD1-OG1 2.62Å; T1248-N1250 PolarHBondContact O-N 2.97Å; T1248-N1250 PolarHBondContact OG1-OD1 2.77Å
1249K79.5Confident87Confident136 Ų13644.1 Ų44.159%0.59123%0.231SC*.SBendtrans52.330.4-175.4-60.7-169173.7-167.40114.3A1220 W1245 N1246A1220-K1249 HydrophobicContact CB-CB 4.13Å; A1220-K1249 HydrophobicContact CB-CD 4.49Å; W1245-K1249 HydrophobicContact CB-CG 4.43Å; W1245-K1249 HydrophobicContact CE3-CB 4.37Å; W1245-K1249 WeakPolarHBondContact CZ3-O 3.4Å; N1246-K1249 WeakPolarHBondContact O-CA 3.3Å; N1246-K1249 PolarHBondContact O-N 2.84Å; N1246-K1249 PolarHBondContact OD1-N 3.15Å; N1246-K1249 VanDerWaalsContact OD1-N 3.14Å
1250N75.6Confident86.2Confident120 Ų12048.3 Ų48.364%0.64227%0.274SS*.SBendtrans-105.3-8.1177.467.2-15.9000112.7N1246 T1248N1246-N1250 VanDerWaalsContact CG-OD1 3.32Å; N1246-N1250 PolarHBondContact ND2-OD1 2.86Å; N1246-N1250 PolarHBondContact OD1-N 3.46Å; N1246-N1250 VanDerWaalsContact OD1-N 3.13Å; N1246-N1250 PolarHBondContact OD1-OD1 2.58Å; T1248-N1250 PolarHBondContact O-N 2.97Å; T1248-N1250 PolarHBondContact OG1-OD1 2.77Å
1251K83.7Confident85.5Confident109 Ų10953.5 Ų53.547%0.47430%0.301SS..  trans-141.4127.9175.5-167.9170.6171.6-163.40110.7N1246 Y1253N1246-K1251 PolarHBondContact N-O 2.91Å; N1246-K1251 PolarHBondContact OD1-N 3.15Å; N1246-K1251 PolarHBondContact OD1-O 2.81Å; K1251-Y1253 HydrophobicContact CB-CE2 3.99Å; K1251-Y1253 HydrophobicContact CD-CE1 4.38Å; K1251-Y1253 HydrophobicContact CD-CE2 3.81Å; K1251-Y1253 WeakPolarHBondContact CD-OH 3.4Å; K1251-Y1253 VanDerWaalsContact CE-CZ 3.47Å; K1251-Y1253 WeakPolarHBondContact CE-OH 3.35Å; K1251-Y1253 HydrophobicContact CG-CD2 4.26Å; K1251-Y1253 HydrophobicContact CG-CE2 3.65Å; K1251-Y1253 PolarHBondContact NZ-OH 3.47Å; K1251-Y1253 VanDerWaalsContact NZ-OH 3.08Å
1252C89.8Confident84.9Confident8 Ų853.7 Ų53.75%0.05431%0.306CS..EExtended strand (participates in β ladder)trans-102.6142.9173.7164.50000108.8F1215 A1218 C1243 Y1244 W1245F1215-C1252 VanDerWaalsContact CD1-SG 3.57Å; A1218-C1252 HydrophobicContact CB-CB 3.82Å; A1218-C1252 VanDerWaalsContact CB-SG 3.55Å; C1243-C1252 WeakPolarHBondContact CB-SG 3.42Å; C1243-C1252 WeakPolarHBondContact SG-CB 3.44Å; C1243-C1252 CovalentContact SG-SG 2.07Å; C1243-C1252 PolarHBondContact SG-SG 2.74Å; Y1244-C1252 CarbonylContact O-C 3.42Å; Y1244-C1252 WeakPolarHBondContact O-CA 3.35Å; W1245-C1252 HydrophobicContact CD2-CB 3.76Å; W1245-C1252 HydrophobicContact CE3-CB 3.89Å; W1245-C1252 HydrophobicContact CG-CB 4.42Å; W1245-C1252 HydrophobicContact CH2-CB 3.76Å; W1245-C1252 HydrophobicContact CZ2-CB 3.58Å; W1245-C1252 HydrophobicContact CZ3-CB 3.91Å
1253Y91.7Very high84.8Confident24 Ų2455.4 Ų55.49%0.09432%0.315CS..EExtended strand (participates in β ladder)trans-127.2141-176.7-67.6-100.9000108.9C1243 Y1244 N1246 K1251 N1255 V1284 E1285C1243-Y1253 WeakPolarHBondContact CB-O 3.42Å; Y1244-Y1253 HydrophobicContact CD1-CD2 4.03Å; Y1244-Y1253 HydrophobicContact CD1-CG 4.46Å; Y1244-Y1253 HydrophobicContact CE1-CD2 4.46Å; Y1244-Y1253 PolarHBondContact N-O 3.32Å; Y1244-Y1253 PolarHBondContact O-N 3.46Å; N1246-Y1253 HydrophobicContact CB-CE2 4.23Å; K1251-Y1253 HydrophobicContact CB-CE2 3.99Å; K1251-Y1253 HydrophobicContact CD-CE1 4.38Å; K1251-Y1253 HydrophobicContact CD-CE2 3.81Å; K1251-Y1253 WeakPolarHBondContact CD-OH 3.4Å; K1251-Y1253 VanDerWaalsContact CE-CZ 3.47Å; K1251-Y1253 WeakPolarHBondContact CE-OH 3.35Å; K1251-Y1253 HydrophobicContact CG-CD2 4.26Å; K1251-Y1253 HydrophobicContact CG-CE2 3.65Å; K1251-Y1253 PolarHBondContact NZ-OH 3.47Å; K1251-Y1253 VanDerWaalsContact NZ-OH 3.08Å; Y1253-N1255 PolarHBondContact O-N 3.29Å; Y1253-V1284 HydrophobicContact CG-CG1 4.45Å; Y1253-E1285 HydrophobicContact CD2-CG 4.33Å; Y1253-E1285 HydrophobicContact CE1-CB 4.33Å; Y1253-E1285 HydrophobicContact CE2-CG 3.96Å
1254N92.7Very high84.8Confident0 Ų055.5 Ų55.50%031%0.313CS..EExtended strand (participates in β ladder)trans-69.5126.5169.5-167.9-2.3000109.4F1215 V1256 N1290 Q1291 W1299F1215-N1254 HydrophobicContact CD1-CB 4.43Å; F1215-N1254 HydrophobicContact CD2-CB 4.06Å; F1215-N1254 HydrophobicContact CE1-CB 3.94Å; F1215-N1254 HydrophobicContact CE2-CB 3.54Å; F1215-N1254 HydrophobicContact CG-CB 4.49Å; F1215-N1254 HydrophobicContact CZ-CB 3.46Å; F1215-N1254 VanDerWaalsContact CZ-CB 3.46Å; F1215-N1254 VanDerWaalsContact CZ-CG 3.5Å; N1254-V1256 PolarHBondContact OD1-N 3.39Å; N1254-N1290 WeakPolarHBondContact CB-O 3.46Å; N1254-N1290 PolarHBondContact ND2-ND2 3.17Å; N1254-N1290 VanDerWaalsContact ND2-ND2 3.11Å; N1254-N1290 PolarHBondContact ND2-O 3.43Å; N1254-Q1291 PolarHBondContact O-NE2 3.14Å; N1254-W1299 PolarHBondContact ND2-O 3.15Å
1255N90.6Very high84.7Confident7 Ų757.8 Ų57.84%0.03732%0.324CS..  trans-89.1-5.3-176.962.32.1000113.5D1242 Y1253 I1278 L1279 V1284D1242-N1255 PolarHBondContact O-OD1 3.24Å; D1242-N1255 PolarHBondContact OD2-ND2 3.44Å; Y1253-N1255 PolarHBondContact O-N 3.29Å; N1255-I1278 HydrophobicContact CB-CG2 4.06Å; N1255-I1278 WeakPolarHBondContact ND2-CG2 3.5Å; N1255-L1279 WeakPolarHBondContact O-CB 3.47Å; N1255-L1279 PolarHBondContact O-N 2.68Å; N1255-V1284 HydrophobicContact CB-CG1 4.35Å; N1255-V1284 HydrophobicContact CB-CG2 4.25Å
1256V91.7Very high84.4Confident0 Ų057.1 Ų57.10%033%0.329CS..BIsolated β-bridgetrans-81.6129.8179.7178.60000111.9Y1200 N1254 L1264 Y1277 N1290 W1299 C1301Y1200-V1256 HydrophobicContact CD1-CG1 4.48Å; Y1200-V1256 HydrophobicContact CD1-CG2 4.19Å; Y1200-V1256 HydrophobicContact CE1-CG2 4.37Å; N1254-V1256 PolarHBondContact OD1-N 3.39Å; V1256-L1264 HydrophobicContact CG1-CD2 3.4Å; V1256-L1264 VanDerWaalsContact CG1-CD2 3.4Å; V1256-Y1277 WeakPolarHBondContact CA-O 3.49Å; V1256-N1290 PolarHBondContact O-ND2 3.46Å; V1256-W1299 WeakPolarHBondContact CB-O 3.48Å; V1256-W1299 HydrophobicContact CG1-CB 3.75Å; V1256-C1301 HydrophobicContact CG2-CB 3.66Å; V1256-C1301 VanDerWaalsContact CG2-N 3.31Å
1257L89.4Confident84.2Confident18 Ų1858.6 Ų58.69%0.09434%0.337CS..  trans-89.7131175.5-173.270.3000112.1K1265 D1267 M1271 Y1277 L1279L1257-K1265 HydrophobicContact CD2-CB 4.41Å; L1257-K1265 HydrophobicContact CD2-CD 4.05Å; L1257-K1265 HydrophobicContact CD2-CG 4.23Å; L1257-K1265 HydrophobicContact CG-CB 4.39Å; L1257-K1265 HydrophobicContact CG-CD 4.49Å; L1257-K1265 PolarHBondContact O-N 3.39Å; L1257-D1267 HydrophobicContact CD2-CB 4.13Å; L1257-M1271 HydrophobicContact CB-CE 3.6Å; L1257-M1271 HydrophobicContact CD2-CE 3.25Å; L1257-M1271 HydrophobicContact CG-CE 4.02Å; L1257-Y1277 PolarHBondContact N-O 3.2Å; L1257-L1279 HydrophobicContact CB-CD1 4.27Å; L1257-L1279 HydrophobicContact CB-CD2 4.18Å; L1257-L1279 HydrophobicContact CB-CG 3.98Å; L1257-L1279 HydrophobicContact CD1-CD1 4.2Å; L1257-L1279 HydrophobicContact CD1-CD2 4.34Å; L1257-L1279 HydrophobicContact CD2-CD2 4.29Å; L1257-L1279 HydrophobicContact CG-CD2 4.5Å
1258T89.1Confident83.8Confident5 Ų558 Ų583%0.03133%0.333CS..BIsolated β-bridgetrans-114.4160.7169.557.90000111.8N1263 N1290 W1299T1258-N1263 CarbonylContact C-O 3.48Å; T1258-N1263 WeakPolarHBondContact CA-O 3.28Å; T1258-N1263 WeakPolarHBondContact CB-O 3.15Å; T1258-N1290 HydrophobicContact CG2-CB 3.92Å; T1258-N1290 WeakPolarHBondContact OG1-CB 3.47Å; T1258-W1299 HydrophobicContact CG2-CB 4.25Å; T1258-W1299 HydrophobicContact CG2-CG 4.36Å
1259D83.6Confident83.8Confident49 Ų4956.1 Ų56.126%0.26233%0.332SS..  trans-80.6177.7166.172.48.1000111.7N1261 G1262 N1263 K1265D1259-N1261 PolarHBondContact O-N 3.36Å; D1259-N1261 VanDerWaalsContact OD1-CA 3.31Å; D1259-N1261 WeakPolarHBondContact OD1-CA 3.21Å; D1259-N1261 WeakPolarHBondContact OD1-CB 3.39Å; D1259-N1261 PolarHBondContact OD1-N 2.88Å; D1259-G1262 PolarHBondContact O-N 2.89Å; D1259-G1262 PolarHBondContact OD1-N 3.07Å; D1259-N1263 PolarHBondContact N-O 2.91Å; D1259-N1263 PolarHBondContact OD1-N 2.82Å; D1259-N1263 PolarHBondContact OD2-ND2 2.86Å; D1259-K1265 HydrophobicContact CB-CB 4.22Å; D1259-K1265 HydrophobicContact CB-CD 4.08Å
1260G74.9Confident83.9Confident87 Ų8753.7 Ų53.790%0.89732%0.321SS*.THydrogen-bonded Turntrans-65.1-5177.900000115
1261N79.3Confident84.2Confident137 Ų13748.8 Ų48.873%0.73329%0.294SS*.THydrogen-bonded Turntrans-105.51.9175.7-58.4-35.6000112.3D1259D1259-N1261 PolarHBondContact O-N 3.36Å; D1259-N1261 VanDerWaalsContact OD1-CA 3.31Å; D1259-N1261 WeakPolarHBondContact OD1-CA 3.21Å; D1259-N1261 WeakPolarHBondContact OD1-CB 3.39Å; D1259-N1261 PolarHBondContact OD1-N 2.88Å
1262G80.8Confident83.7Confident15 Ų1547.6 Ų47.616%0.15529%0.293CS..SBendtrans79.414.6-17800000114.8D1259 W1299D1259-G1262 PolarHBondContact O-N 2.89Å; D1259-G1262 PolarHBondContact OD1-N 3.07Å; G1262-W1299 VanDerWaalsContact O-CD1 3.25Å; G1262-W1299 PolarHBondContact O-NE1 2.94Å; G1262-W1299 VanDerWaalsContact O-NE1 3.12Å
1263N85.9Confident82.8Confident85 Ų8549.5 Ų49.546%0.45531%0.306SS..  trans-87.6147.1173.4-56-56000110.7T1258 D1259 K1265T1258-N1263 CarbonylContact C-O 3.48Å; T1258-N1263 WeakPolarHBondContact CA-O 3.28Å; T1258-N1263 WeakPolarHBondContact CB-O 3.15Å; D1259-N1263 PolarHBondContact N-O 2.91Å; D1259-N1263 PolarHBondContact OD1-N 2.82Å; D1259-N1263 PolarHBondContact OD2-ND2 2.86Å; N1263-K1265 PolarHBondContact O-N 2.89Å
1264L90.1Very high81.6Confident31 Ų3156.7 Ų56.716%0.16234%0.338CS..BIsolated β-bridgetrans-54128.3172.9-72.9170.1000111.1A1179 Y1200 V1256 Y1277 W1299A1179-L1264 HydrophobicContact CB-CD1 3.54Å; Y1200-L1264 HydrophobicContact CD1-CD2 4.25Å; Y1200-L1264 HydrophobicContact CD2-CD1 4.43Å; Y1200-L1264 HydrophobicContact CG-CD1 4.15Å; Y1200-L1264 HydrophobicContact CG-CD2 4.45Å; V1256-L1264 HydrophobicContact CG1-CD2 3.4Å; V1256-L1264 VanDerWaalsContact CG1-CD2 3.4Å; L1264-Y1277 HydrophobicContact CB-CD1 3.79Å; L1264-Y1277 HydrophobicContact CB-CD2 3.97Å; L1264-Y1277 HydrophobicContact CB-CE1 3.89Å; L1264-Y1277 HydrophobicContact CB-CE2 4.08Å; L1264-Y1277 HydrophobicContact CB-CG 3.83Å; L1264-Y1277 HydrophobicContact CD1-CD2 3.81Å; L1264-Y1277 HydrophobicContact CD1-CE2 3.88Å; L1264-Y1277 HydrophobicContact CD1-CG 4.43Å; L1264-Y1277 HydrophobicContact CD2-CD2 4.07Å; L1264-Y1277 HydrophobicContact CD2-CG 3.99Å; L1264-Y1277 HydrophobicContact CG-CD2 4.17Å; L1264-Y1277 HydrophobicContact CG-CE2 4.49Å; L1264-Y1277 HydrophobicContact CG-CG 4.3Å; L1264-W1299 HydrophobicContact CD1-CD2 3.86Å; L1264-W1299 HydrophobicContact CD1-CE3 3.76Å; L1264-W1299 HydrophobicContact CD1-CH2 4.09Å; L1264-W1299 HydrophobicContact CD1-CZ2 4.19Å; L1264-W1299 HydrophobicContact CD1-CZ3 3.88Å; L1264-W1299 HydrophobicContact CD2-CB 3.64Å; L1264-W1299 HydrophobicContact CD2-CD2 3.77Å; L1264-W1299 HydrophobicContact CD2-CE3 4.13Å; L1264-W1299 HydrophobicContact CD2-CG 3.57Å; L1264-W1299 HydrophobicContact CG-CB 4.4Å; L1264-W1299 HydrophobicContact CG-CD2 3.59Å; L1264-W1299 HydrophobicContact CG-CE3 4.01Å; L1264-W1299 HydrophobicContact CG-CG 3.78Å; L1264-W1299 HydrophobicContact CG-CZ2 4.32Å
1265K85.2Confident80.6Confident91 Ų9157.6 Ų57.640%0.39635%0.348SS..  trans-130.1127.6-175.2-179.9-171171.5-1690110.8L1257 D1259 N1263L1257-K1265 HydrophobicContact CD2-CB 4.41Å; L1257-K1265 HydrophobicContact CD2-CD 4.05Å; L1257-K1265 HydrophobicContact CD2-CG 4.23Å; L1257-K1265 HydrophobicContact CG-CB 4.39Å; L1257-K1265 HydrophobicContact CG-CD 4.49Å; L1257-K1265 PolarHBondContact O-N 3.39Å; D1259-K1265 HydrophobicContact CB-CB 4.22Å; D1259-K1265 HydrophobicContact CB-CD 4.08Å; N1263-K1265 PolarHBondContact O-N 2.89Å
1266S82.5Confident80.1Confident48 Ų4857.3 Ų57.334%0.33635%0.346SS..  trans-96.3134.1171.1-166.50000110.5D1276S1266-D1276 WeakPolarHBondContact CB-O 3.44Å; S1266-D1276 PolarHBondContact OG-O 3.48Å
1267D79.2Confident80Confident51 Ų5159.4 Ų59.427%0.27336%0.355SS..  trans-125.2100.7170.4-177.8-15.3000108.2L1257 G1269 K1270 M1271L1257-D1267 HydrophobicContact CD2-CB 4.13Å; D1267-G1269 PolarHBondContact O-N 3.2Å; D1267-G1269 PolarHBondContact OD1-N 2.94Å; D1267-K1270 HydrophobicContact CB-CB 4.37Å; D1267-K1270 PolarHBondContact O-N 3.33Å; D1267-M1271 HydrophobicContact CB-CE 3.96Å; D1267-M1271 VanDerWaalsContact O-CG 3.3Å; D1267-M1271 WeakPolarHBondContact O-CG 3.34Å; D1267-M1271 PolarHBondContact O-N 2.6Å
1268S68.7Low80Confident103 Ų10358.7 Ų58.772%0.7235%0.351SS*.THydrogen-bonded Turntrans-56.5-17.4-17252.50000115.1
1269G76.4Confident79.9Confident54 Ų5458.6 Ų58.656%0.55735%0.35SS*.THydrogen-bonded Turntrans-85.3-12.4174.500000114.8D1267D1267-G1269 PolarHBondContact O-N 3.2Å; D1267-G1269 PolarHBondContact OD1-N 2.94Å
1270K81.8Confident79.9Confident86 Ų8659.1 Ų59.137%0.37435%0.353SS..THydrogen-bonded Turntrans-127.2-13.8-171.7-58.3-174.8-178.5-177.10114.8D1267 L1279 N1280 Y1283D1267-K1270 HydrophobicContact CB-CB 4.37Å; D1267-K1270 PolarHBondContact O-N 3.33Å; K1270-L1279 HydrophobicContact CB-CD2 3.94Å; K1270-N1280 WeakPolarHBondContact O-CB 3.42Å; K1270-N1280 PolarHBondContact O-N 2.8Å; K1270-Y1283 HydrophobicContact CB-CD2 3.79Å; K1270-Y1283 HydrophobicContact CB-CE2 4.11Å; K1270-Y1283 HydrophobicContact CB-CG 4.16Å; K1270-Y1283 HydrophobicContact CD-CD1 4.17Å; K1270-Y1283 HydrophobicContact CD-CE1 4.49Å; K1270-Y1283 HydrophobicContact CD-CG 4.2Å; K1270-Y1283 HydrophobicContact CG-CD1 4.23Å; K1270-Y1283 HydrophobicContact CG-CD2 3.96Å; K1270-Y1283 HydrophobicContact CG-CE1 4.24Å; K1270-Y1283 HydrophobicContact CG-CE2 3.98Å; K1270-Y1283 HydrophobicContact CG-CG 4.07Å
1271M80.6Confident80.4Confident16 Ų1659.5 Ų59.58%0.07933%0.334CS..BIsolated β-bridgetrans-79.9157-179.8-61.8-59.3131.400112.8L1257 D1267 S1273 D1276 I1278 L1279L1257-M1271 HydrophobicContact CB-CE 3.6Å; L1257-M1271 HydrophobicContact CD2-CE 3.25Å; L1257-M1271 HydrophobicContact CG-CE 4.02Å; D1267-M1271 HydrophobicContact CB-CE 3.96Å; D1267-M1271 VanDerWaalsContact O-CG 3.3Å; D1267-M1271 WeakPolarHBondContact O-CG 3.34Å; D1267-M1271 PolarHBondContact O-N 2.6Å; M1271-S1273 WeakPolarHBondContact CB-O 3.21Å; M1271-D1276 WeakPolarHBondContact CG-O 3.41Å; M1271-I1278 CarbonylContact C-O 3.42Å; M1271-I1278 VanDerWaalsContact CA-O 3.28Å; M1271-I1278 WeakPolarHBondContact CA-O 3.36Å; M1271-I1278 VanDerWaalsContact SD-C 3.52Å; M1271-I1278 VanDerWaalsContact SD-O 3.33Å; M1271-L1279 HydrophobicContact CE-CD2 3.59Å; M1271-L1279 HydrophobicContact CE-CG 4.22Å
1272N74.1Confident80.4Confident85 Ų8558 Ų5846%0.45533%0.33SS..SBendtrans-63.6-38.6173.7-80.6-23.2000113I1278 N1280N1272-I1278 PolarHBondContact N-O 2.7Å; N1272-I1278 VanDerWaalsContact ND2-CG2 3.32Å; N1272-I1278 WeakPolarHBondContact ND2-CG2 3.27Å; N1272-N1280 VanDerWaalsContact OD1-CA 3.23Å; N1272-N1280 WeakPolarHBondContact OD1-CA 3.35Å
1273S71.3Confident80.6Confident47 Ų4761.6 Ų61.633%0.32934%0.34SS..SBendtrans-142.5166.5176.871.40000111.4M1271 G1275 D1276M1271-S1273 WeakPolarHBondContact CB-O 3.21Å; S1273-G1275 PolarHBondContact O-N 3.23Å; S1273-D1276 VanDerWaalsContact OG-CB 3.27Å; S1273-D1276 WeakPolarHBondContact OG-CB 3.43Å; S1273-D1276 PolarHBondContact OG-OD2 3.29Å
1274K66.8Low80.6Confident175 Ų17557.5 Ų57.576%0.76132%0.318SS*.THydrogen-bonded Turntrans-77.4117-174.5-169.6-178-178.3-176.80109.9
1275G69.8Low80.3Confident20 Ų2060 Ų6021%0.20633%0.329CS..THydrogen-bonded Turntrans100.4-9178.600000114.5S1273S1273-G1275 PolarHBondContact O-N 3.23Å
1276D81.7Confident80.1Confident0 Ų062 Ų620%034%0.344CS..  trans-75.2163.5172.9-172.3-17.2000111.3Y1198 Y1200 S1266 M1271 S1273 I1278Y1198-D1276 PolarHBondContact OH-OD2 3.21Å; Y1200-D1276 PolarHBondContact OH-OD1 3.28Å; S1266-D1276 WeakPolarHBondContact CB-O 3.44Å; S1266-D1276 PolarHBondContact OG-O 3.48Å; M1271-D1276 WeakPolarHBondContact CG-O 3.41Å; S1273-D1276 VanDerWaalsContact OG-CB 3.27Å; S1273-D1276 WeakPolarHBondContact OG-CB 3.43Å; S1273-D1276 PolarHBondContact OG-OD2 3.29Å; D1276-I1278 WeakPolarHBondContact OD1-CB 3.15Å; D1276-I1278 WeakPolarHBondContact OD1-CG1 3.21Å; D1276-I1278 PolarHBondContact OD1-N 3.41Å
1277Y88.7Confident80.1Confident44 Ų4460.6 Ų60.617%0.17333%0.333CS..  trans-1100.2176.1-50.1-63.3000113.7D1181 Y1200 V1256 L1257 L1264D1181-Y1277 HydrophobicContact CB-CD2 4.09Å; D1181-Y1277 HydrophobicContact CB-CE2 3.66Å; Y1200-Y1277 HydrophobicContact CD1-CD2 4.42Å; Y1200-Y1277 AromaticContact CD2-CD2 4Å; Y1200-Y1277 HydrophobicContact CD2-CD2 4Å; Y1200-Y1277 HydrophobicContact CD2-CE2 4.45Å; Y1200-Y1277 HydrophobicContact CE1-CD2 4.01Å; Y1200-Y1277 HydrophobicContact CE1-CG 4.46Å; Y1200-Y1277 AromaticContact CE2-CD2 3.6Å; Y1200-Y1277 HydrophobicContact CE2-CD2 3.6Å; Y1200-Y1277 HydrophobicContact CE2-CE2 4.16Å; Y1200-Y1277 HydrophobicContact CG-CD2 4.4Å; Y1200-Y1277 AromaticContact CZ-CD2 3.57Å; Y1200-Y1277 PolarHBondContact OH-N 3.02Å; V1256-Y1277 WeakPolarHBondContact CA-O 3.49Å; L1257-Y1277 PolarHBondContact N-O 3.2Å; L1264-Y1277 HydrophobicContact CB-CD1 3.79Å; L1264-Y1277 HydrophobicContact CB-CD2 3.97Å; L1264-Y1277 HydrophobicContact CB-CE1 3.89Å; L1264-Y1277 HydrophobicContact CB-CE2 4.08Å; L1264-Y1277 HydrophobicContact CB-CG 3.83Å; L1264-Y1277 HydrophobicContact CD1-CD2 3.81Å; L1264-Y1277 HydrophobicContact CD1-CE2 3.88Å; L1264-Y1277 HydrophobicContact CD1-CG 4.43Å; L1264-Y1277 HydrophobicContact CD2-CD2 4.07Å; L1264-Y1277 HydrophobicContact CD2-CG 3.99Å; L1264-Y1277 HydrophobicContact CG-CD2 4.17Å; L1264-Y1277 HydrophobicContact CG-CE2 4.49Å; L1264-Y1277 HydrophobicContact CG-CG 4.3Å
1278I89.3Confident80.2Confident4 Ų467.6 Ų67.62%0.02136%0.361CS..BIsolated β-bridgetrans-88.1121.2179.3-55.7165000110.8Y1198 Y1200 N1255 M1271 N1272 D1276 C1301Y1198-I1278 HydrophobicContact CD1-CD1 4.49Å; Y1198-I1278 HydrophobicContact CD2-CD1 3.62Å; Y1198-I1278 HydrophobicContact CE1-CD1 4.39Å; Y1198-I1278 HydrophobicContact CE2-CD1 3.43Å; Y1198-I1278 VanDerWaalsContact CE2-CD1 3.43Å; Y1198-I1278 HydrophobicContact CE2-CG1 4.47Å; Y1198-I1278 HydrophobicContact CG-CD1 4.14Å; Y1200-I1278 HydrophobicContact CE1-CG1 4.02Å; N1255-I1278 HydrophobicContact CB-CG2 4.06Å; N1255-I1278 WeakPolarHBondContact ND2-CG2 3.5Å; M1271-I1278 CarbonylContact C-O 3.42Å; M1271-I1278 VanDerWaalsContact CA-O 3.28Å; M1271-I1278 WeakPolarHBondContact CA-O 3.36Å; M1271-I1278 VanDerWaalsContact SD-C 3.52Å; M1271-I1278 VanDerWaalsContact SD-O 3.33Å; N1272-I1278 PolarHBondContact N-O 2.7Å; N1272-I1278 VanDerWaalsContact ND2-CG2 3.32Å; N1272-I1278 WeakPolarHBondContact ND2-CG2 3.27Å; D1276-I1278 WeakPolarHBondContact OD1-CB 3.15Å; D1276-I1278 WeakPolarHBondContact OD1-CG1 3.21Å; D1276-I1278 PolarHBondContact OD1-N 3.41Å; I1278-C1301 HydrophobicContact CD1-CB 4.23Å; I1278-C1301 WeakPolarHBondContact CD1-SG 3.35Å; I1278-C1301 HydrophobicContact CG1-CB 4.18Å
1279L88Confident80.8Confident3 Ų364.3 Ų64.32%0.01634%0.338CS..BIsolated β-bridgetrans-66.7142.3173.6-71166.9000111.7N1255 L1257 K1270 M1271 V1284 N1287N1255-L1279 WeakPolarHBondContact O-CB 3.47Å; N1255-L1279 PolarHBondContact O-N 2.68Å; L1257-L1279 HydrophobicContact CB-CD1 4.27Å; L1257-L1279 HydrophobicContact CB-CD2 4.18Å; L1257-L1279 HydrophobicContact CB-CG 3.98Å; L1257-L1279 HydrophobicContact CD1-CD1 4.2Å; L1257-L1279 HydrophobicContact CD1-CD2 4.34Å; L1257-L1279 HydrophobicContact CD2-CD2 4.29Å; L1257-L1279 HydrophobicContact CG-CD2 4.5Å; K1270-L1279 HydrophobicContact CB-CD2 3.94Å; M1271-L1279 HydrophobicContact CE-CD2 3.59Å; M1271-L1279 HydrophobicContact CE-CG 4.22Å; L1279-V1284 HydrophobicContact CB-CG2 3.86Å; L1279-N1287 HydrophobicContact CD1-CB 3.74Å
1280N83.4Confident81.4Confident60 Ų6061.8 Ų61.832%0.32131%0.311SS..PPolyproline II helixtrans-65.3139.2164.9-178.6-59.1000110.1K1270 N1272 T1282 Y1283K1270-N1280 WeakPolarHBondContact O-CB 3.42Å; K1270-N1280 PolarHBondContact O-N 2.8Å; N1272-N1280 VanDerWaalsContact OD1-CA 3.23Å; N1272-N1280 WeakPolarHBondContact OD1-CA 3.35Å; N1280-T1282 PolarHBondContact O-N 3.02Å; N1280-T1282 PolarHBondContact OD1-N 3.15Å; N1280-T1282 PolarHBondContact OD1-OG1 3.07Å; N1280-Y1283 HydrophobicContact CB-CD2 4.29Å; N1280-Y1283 PolarHBondContact O-N 3.46Å
1281D84.2Confident81.7Confident94 Ų9458.9 Ų58.950%0.50330%0.299SS..Hα-helixtrans-37-39.1176.9-67.32.5000114.1Y1244 Y1283 V1284Y1244-D1281 HydrophobicContact CD2-CB 3.94Å; Y1244-D1281 HydrophobicContact CE2-CB 3.66Å; D1281-Y1283 PolarHBondContact O-N 2.76Å; D1281-Y1283 VanDerWaalsContact O-N 3.14Å; D1281-V1284 PolarHBondContact O-N 3.16Å
1282T80.4Confident82.2Confident106 Ų10659.5 Ų59.565%0.6530%0.303SS*.Hα-helixtrans-58.8-26.5179.7-44.60000113.8N1280N1280-T1282 PolarHBondContact O-N 3.02Å; N1280-T1282 PolarHBondContact OD1-N 3.15Å; N1280-T1282 PolarHBondContact OD1-OG1 3.07Å
1283Y84.1Confident83Confident90 Ų9055.5 Ų55.535%0.35328%0.281SS..Hα-helixtrans-114-5.2-173.6-59.8-73.2000113.9K1270 N1280 D1281 N1287K1270-Y1283 HydrophobicContact CB-CD2 3.79Å; K1270-Y1283 HydrophobicContact CB-CE2 4.11Å; K1270-Y1283 HydrophobicContact CB-CG 4.16Å; K1270-Y1283 HydrophobicContact CD-CD1 4.17Å; K1270-Y1283 HydrophobicContact CD-CE1 4.49Å; K1270-Y1283 HydrophobicContact CD-CG 4.2Å; K1270-Y1283 HydrophobicContact CG-CD1 4.23Å; K1270-Y1283 HydrophobicContact CG-CD2 3.96Å; K1270-Y1283 HydrophobicContact CG-CE1 4.24Å; K1270-Y1283 HydrophobicContact CG-CE2 3.98Å; K1270-Y1283 HydrophobicContact CG-CG 4.07Å; N1280-Y1283 HydrophobicContact CB-CD2 4.29Å; N1280-Y1283 PolarHBondContact O-N 3.46Å; D1281-Y1283 PolarHBondContact O-N 2.76Å; D1281-Y1283 VanDerWaalsContact O-N 3.14Å; Y1283-N1287 PolarHBondContact O-N 2.8Å
1284V86.3Confident84Confident0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-68.6-43.5-171.9-174.50000111.7Y1244 Y1253 N1255 L1279 D1281 D1286 N1287Y1244-V1284 HydrophobicContact CD1-CB 3.91Å; Y1244-V1284 HydrophobicContact CD1-CG1 3.98Å; Y1244-V1284 HydrophobicContact CD2-CG2 4.48Å; Y1244-V1284 HydrophobicContact CG-CB 3.9Å; Y1244-V1284 HydrophobicContact CG-CG1 4.01Å; Y1244-V1284 HydrophobicContact CG-CG2 4.14Å; Y1253-V1284 HydrophobicContact CG-CG1 4.45Å; N1255-V1284 HydrophobicContact CB-CG1 4.35Å; N1255-V1284 HydrophobicContact CB-CG2 4.25Å; L1279-V1284 HydrophobicContact CB-CG2 3.86Å; D1281-V1284 PolarHBondContact O-N 3.16Å; V1284-D1286 VanDerWaalsContact C-N 3.25Å; V1284-D1286 PolarHBondContact O-N 3.07Å; V1284-N1287 VanDerWaalsContact O-CB 3.27Å; V1284-N1287 WeakPolarHBondContact O-CB 3.29Å; V1284-N1287 PolarHBondContact O-N 2.93Å
1285E84.3Confident85Confident84 Ų8454.2 Ų54.239%0.39327%0.274SS..THydrogen-bonded Turntrans-65.5-27.7-178-61.1-170.3-153.100113.4Y1244 N1246 Y1253 N1287Y1244-E1285 HydrophobicContact CD1-CG 4.14Å; Y1244-E1285 HydrophobicContact CE1-CG 3.4Å; Y1244-E1285 VanDerWaalsContact CE1-OE1 3.27Å; Y1244-E1285 WeakPolarHBondContact CE1-OE1 3.48Å; Y1244-E1285 PolarHBondContact OH-OE1 3.38Å; N1246-E1285 WeakPolarHBondContact CB-OE1 3.42Å; Y1253-E1285 HydrophobicContact CD2-CG 4.33Å; Y1253-E1285 HydrophobicContact CE1-CB 4.33Å; Y1253-E1285 HydrophobicContact CE2-CG 3.96Å; E1285-N1287 VanDerWaalsContact C-N 3.31Å
1286D80.9Confident85.8Confident132 Ų13256.2 Ų56.271%0.70628%0.278SS*.THydrogen-bonded Turntrans-80-12.9177.1-77-22.2000112.8V1284 K1288V1284-D1286 VanDerWaalsContact C-N 3.25Å; V1284-D1286 PolarHBondContact O-N 3.07Å; D1286-K1288 PolarHBondContact O-N 2.85Å
1287N82.8Confident86.3Confident18 Ų1858.5 Ų58.510%0.09629%0.289CS..  trans-72.1115.5179.6-17419.5000110.4L1279 Y1283 V1284 E1285 S1289 Q1291L1279-N1287 HydrophobicContact CD1-CB 3.74Å; Y1283-N1287 PolarHBondContact O-N 2.8Å; V1284-N1287 VanDerWaalsContact O-CB 3.27Å; V1284-N1287 WeakPolarHBondContact O-CB 3.29Å; V1284-N1287 PolarHBondContact O-N 2.93Å; E1285-N1287 VanDerWaalsContact C-N 3.31Å; N1287-S1289 VanDerWaalsContact CG-O 3.28Å; N1287-S1289 PolarHBondContact ND2-O 2.88Å; N1287-S1289 PolarHBondContact OD1-N 2.92Å; N1287-S1289 PolarHBondContact OD1-O 3.4Å; N1287-S1289 PolarHBondContact OD1-OG 3.47Å; N1287-Q1291 PolarHBondContact ND2-NE2 3.38Å; N1287-Q1291 VanDerWaalsContact O-CG 3.29Å; N1287-Q1291 WeakPolarHBondContact O-CG 3.31Å
1288K80Confident86.5Confident199 Ų19956.4 Ų56.487%0.86528%0.28SS*.  trans-97-9.9178.2-61.5-161.7179.3-171.50113.9D1286D1286-K1288 PolarHBondContact O-N 2.85Å
1289S81.7Confident86.8Confident34 Ų3456.9 Ų56.924%0.23828%0.282CS..SBendtrans-100.8157.3175.863.40000110.7N1287 Q1291N1287-S1289 VanDerWaalsContact CG-O 3.28Å; N1287-S1289 PolarHBondContact ND2-O 2.88Å; N1287-S1289 PolarHBondContact OD1-N 2.92Å; N1287-S1289 PolarHBondContact OD1-O 3.4Å; N1287-S1289 PolarHBondContact OD1-OG 3.47Å; S1289-Q1291 VanDerWaalsContact C-N 3.27Å; S1289-Q1291 PolarHBondContact O-N 3.28Å; S1289-Q1291 PolarHBondContact O-NE2 2.88Å
1290N89.9Confident87.1Confident0 Ų056.7 Ų56.70%028%0.281CS..SBendtrans6228.3178.2-154.837.9000114N1254 V1256 T1258 E1296 L1298 W1299N1254-N1290 WeakPolarHBondContact CB-O 3.46Å; N1254-N1290 PolarHBondContact ND2-ND2 3.17Å; N1254-N1290 VanDerWaalsContact ND2-ND2 3.11Å; N1254-N1290 PolarHBondContact ND2-O 3.43Å; V1256-N1290 PolarHBondContact O-ND2 3.46Å; T1258-N1290 HydrophobicContact CG2-CB 3.92Å; T1258-N1290 WeakPolarHBondContact OG1-CB 3.47Å; N1290-E1296 VanDerWaalsContact CA-OE1 3.31Å; N1290-E1296 WeakPolarHBondContact CA-OE1 3.41Å; N1290-E1296 PolarHBondContact N-OE1 2.74Å; N1290-L1298 VanDerWaalsContact C-CD2 3.48Å; N1290-L1298 VanDerWaalsContact OD1-CA 3.25Å; N1290-L1298 WeakPolarHBondContact OD1-CA 3.16Å; N1290-L1298 WeakPolarHBondContact OD1-CD2 3.36Å; N1290-W1299 PolarHBondContact ND2-O 3.02Å; N1290-W1299 PolarHBondContact OD1-N 3.19Å
1291Q88.6Confident87.5Confident26 Ų2653.9 Ų53.912%0.12127%0.266CS..  trans-107-36.1-174.1-65-56-48.300114.6N1254 N1287 S1289 E1296N1254-Q1291 PolarHBondContact O-NE2 3.14Å; N1287-Q1291 PolarHBondContact ND2-NE2 3.38Å; N1287-Q1291 VanDerWaalsContact O-CG 3.29Å; N1287-Q1291 WeakPolarHBondContact O-CG 3.31Å; S1289-Q1291 VanDerWaalsContact C-N 3.27Å; S1289-Q1291 PolarHBondContact O-N 3.28Å; S1289-Q1291 PolarHBondContact O-NE2 2.88Å; Q1291-E1296 PolarHBondContact N-OE1 3.49Å
1292D89.4Confident88Confident29 Ų2949.4 Ų49.416%0.15524%0.242CC..  trans-113.6104.1-168.8-177.6-15.5000110.1T1294 K1295 E1296D1292-T1294 PolarHBondContact O-N 3.49Å; D1292-T1294 VanDerWaalsContact O-N 3.1Å; D1292-T1294 WeakPolarHBondContact OD1-CB 3.49Å; D1292-T1294 PolarHBondContact OD1-N 3.31Å; D1292-T1294 PolarHBondContact OD1-OG1 2.79Å; D1292-K1295 HydrophobicContact CB-CB 4.44Å; D1292-K1295 HydrophobicContact CB-CD 4.34Å; D1292-K1295 HydrophobicContact CB-CG 4.42Å; D1292-K1295 PolarHBondContact O-N 3.25Å; D1292-K1295 WeakPolarHBondContact OD2-CD 3.39Å; D1292-K1295 VanDerWaalsContact OD2-CE 3.26Å; D1292-K1295 WeakPolarHBondContact OD2-CE 3.45Å; D1292-K1295 IonicContact OD2-NZ 2.87Å; D1292-K1295 PolarHBondContact OD2-NZ 2.84Å; D1292-E1296 PolarHBondContact O-N 3.41Å
1293S91.8Very high88.4Confident0 Ų048.7 Ų48.70%023%0.231CC..THydrogen-bonded Turntrans-64.7-18-175.754.20000112.5K1205 F1206 F1212 D1213 L1214 K1295K1205-S1293 CarbonylContact C-O 3.56Å; K1205-S1293 WeakPolarHBondContact CA-O 3.26Å; F1206-S1293 PolarHBondContact N-O 2.91Å; F1212-S1293 PolarHBondContact O-OG 2.85Å; D1213-S1293 WeakPolarHBondContact CA-OG 3.37Å; L1214-S1293 PolarHBondContact N-OG 2.85Å; S1293-K1295 VanDerWaalsContact C-N 3.28Å; S1293-K1295 PolarHBondContact O-N 2.81Å
1294T91.1Very high88.7Confident48 Ų4845 Ų4529%0.29422%0.217SC..THydrogen-bonded Turntrans-76.3-16.7176.874.30000113F1206 N1207 D1213 D1292F1206-T1294 WeakPolarHBondContact O-CG2 3.27Å; N1207-T1294 VanDerWaalsContact CB-O 3.29Å; N1207-T1294 WeakPolarHBondContact CB-O 3.47Å; D1213-T1294 HydrophobicContact CB-CG2 4.08Å; D1292-T1294 PolarHBondContact O-N 3.49Å; D1292-T1294 VanDerWaalsContact O-N 3.1Å; D1292-T1294 WeakPolarHBondContact OD1-CB 3.49Å; D1292-T1294 PolarHBondContact OD1-N 3.31Å; D1292-T1294 PolarHBondContact OD1-OG1 2.79Å
1295K88.4Confident88.7Confident148 Ų14845.4 Ų45.464%0.64322%0.219SC*.THydrogen-bonded Turntrans-106.5-37.7-174.4-67.9-176.4-179.3124.70113.3D1292 S1293D1292-K1295 HydrophobicContact CB-CB 4.44Å; D1292-K1295 HydrophobicContact CB-CD 4.34Å; D1292-K1295 HydrophobicContact CB-CG 4.42Å; D1292-K1295 PolarHBondContact O-N 3.25Å; D1292-K1295 WeakPolarHBondContact OD2-CD 3.39Å; D1292-K1295 VanDerWaalsContact OD2-CE 3.26Å; D1292-K1295 WeakPolarHBondContact OD2-CE 3.45Å; D1292-K1295 IonicContact OD2-NZ 2.87Å; D1292-K1295 PolarHBondContact OD2-NZ 2.84Å; S1293-K1295 VanDerWaalsContact C-N 3.28Å; S1293-K1295 PolarHBondContact O-N 2.81Å
1296E87.1Confident88.5Confident61 Ų6144.9 Ų44.929%0.28522%0.222SC..SBendtrans-141.6155.2-17260.7-171.216300111.9K1205 N1290 Q1291 D1292 L1298K1205-E1296 VanDerWaalsContact CG-C 3.47Å; N1290-E1296 VanDerWaalsContact CA-OE1 3.31Å; N1290-E1296 WeakPolarHBondContact CA-OE1 3.41Å; N1290-E1296 PolarHBondContact N-OE1 2.74Å; Q1291-E1296 PolarHBondContact N-OE1 3.49Å; D1292-E1296 PolarHBondContact O-N 3.41Å; E1296-L1298 HydrophobicContact CG-CD2 3.76Å
1297E91.8Very high88.4Confident49 Ų4943.1 Ų43.123%0.22922%0.22CC..PPolyproline II helixtrans-68.4130.6172.4-66.9-170.9144.200108.5K1202 L1203 H1204 K1205K1202-E1297 WeakPolarHBondContact CE-OE2 3.39Å; K1202-E1297 IonicContact NZ-OE2 3.32Å; K1202-E1297 PolarHBondContact NZ-OE2 3Å; L1203-E1297 CarbonylContact O-C 3.56Å; L1203-E1297 WeakPolarHBondContact O-CA 3.2Å; L1203-E1297 WeakPolarHBondContact O-CB 3.4Å; H1204-E1297 IonicContact CE1-OE1 2.89Å; H1204-E1297 IonicContact ND1-OE1 3.84Å; H1204-E1297 PolarHBondContact ND1-OE1 3.41Å; K1205-E1297 HydrophobicContact CG-CG 4.03Å
1298L92.6Very high87.8Confident0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-102.3130.4-172.5-60.4-167.4000112K1202 L1203 F1215 N1290 E1296 I1300K1202-L1298 CarbonylContact C-O 3.57Å; K1202-L1298 WeakPolarHBondContact CA-O 3.21Å; L1203-L1298 PolarHBondContact N-O 3.5Å; L1203-L1298 PolarHBondContact O-N 2.98Å; L1203-L1298 VanDerWaalsContact O-N 3.11Å; F1215-L1298 HydrophobicContact CD2-CD1 3.91Å; F1215-L1298 HydrophobicContact CE2-CD1 3.63Å; N1290-L1298 VanDerWaalsContact C-CD2 3.48Å; N1290-L1298 VanDerWaalsContact OD1-CA 3.25Å; N1290-L1298 WeakPolarHBondContact OD1-CA 3.16Å; N1290-L1298 WeakPolarHBondContact OD1-CD2 3.36Å; E1296-L1298 HydrophobicContact CG-CD2 3.76Å; L1298-I1300 HydrophobicContact CB-CG2 4.44Å
1299W95.2Very high87.3Confident13 Ų1340.1 Ų40.15%0.04922%0.215CC..EExtended strand (participates in β ladder)trans-82.6124.1159.2-77.3100.1000109.1D1177 A1179 K1202 N1254 V1256 T1258 G1262 L1264 N1290D1177-W1299 HydrophobicContact CB-CH2 3.8Å; D1177-W1299 HydrophobicContact CB-CZ2 4.16Å; A1179-W1299 HydrophobicContact CB-CH2 3.64Å; A1179-W1299 HydrophobicContact CB-CZ3 3.63Å; K1202-W1299 HydrophobicContact CB-CD2 3.81Å; K1202-W1299 HydrophobicContact CB-CE3 3.77Å; K1202-W1299 HydrophobicContact CB-CH2 3.87Å; K1202-W1299 HydrophobicContact CB-CZ2 3.89Å; K1202-W1299 HydrophobicContact CB-CZ3 3.8Å; K1202-W1299 HydrophobicContact CD-CD2 4.39Å; K1202-W1299 HydrophobicContact CD-CZ2 3.83Å; K1202-W1299 HydrophobicContact CG-CD2 3.86Å; K1202-W1299 HydrophobicContact CG-CE3 4.34Å; K1202-W1299 HydrophobicContact CG-CG 4.18Å; K1202-W1299 HydrophobicContact CG-CZ2 4.09Å; N1254-W1299 PolarHBondContact ND2-O 3.15Å; V1256-W1299 WeakPolarHBondContact CB-O 3.48Å; V1256-W1299 HydrophobicContact CG1-CB 3.75Å; T1258-W1299 HydrophobicContact CG2-CB 4.25Å; T1258-W1299 HydrophobicContact CG2-CG 4.36Å; G1262-W1299 VanDerWaalsContact O-CD1 3.25Å; G1262-W1299 PolarHBondContact O-NE1 2.94Å; G1262-W1299 VanDerWaalsContact O-NE1 3.12Å; L1264-W1299 HydrophobicContact CD1-CD2 3.86Å; L1264-W1299 HydrophobicContact CD1-CE3 3.76Å; L1264-W1299 HydrophobicContact CD1-CH2 4.09Å; L1264-W1299 HydrophobicContact CD1-CZ2 4.19Å; L1264-W1299 HydrophobicContact CD1-CZ3 3.88Å; L1264-W1299 HydrophobicContact CD2-CB 3.64Å; L1264-W1299 HydrophobicContact CD2-CD2 3.77Å; L1264-W1299 HydrophobicContact CD2-CE3 4.13Å; L1264-W1299 HydrophobicContact CD2-CG 3.57Å; L1264-W1299 HydrophobicContact CG-CB 4.4Å; L1264-W1299 HydrophobicContact CG-CD2 3.59Å; L1264-W1299 HydrophobicContact CG-CE3 4.01Å; L1264-W1299 HydrophobicContact CG-CG 3.78Å; L1264-W1299 HydrophobicContact CG-CZ2 4.32Å; N1290-W1299 PolarHBondContact ND2-O 3.02Å; N1290-W1299 PolarHBondContact OD1-N 3.19Å
1300I95Very high86.8Confident0 Ų041.5 Ų41.50%024%0.235CC..EExtended strand (participates in β ladder)trans-114.1145174.659.2162.6000110.2Y1200 I1201 L1203 F1215 I1226 I1241 L1298 V1302Y1200-I1300 WeakPolarHBondContact CA-O 3.05Å; I1201-I1300 HydrophobicContact CB-CD1 4.47Å; I1201-I1300 HydrophobicContact CB-CG1 4.1Å; I1201-I1300 PolarHBondContact N-O 3.47Å; I1201-I1300 VanDerWaalsContact N-O 3.07Å; I1201-I1300 VanDerWaalsContact O-CG1 3.27Å; I1201-I1300 WeakPolarHBondContact O-CG1 3.28Å; I1201-I1300 PolarHBondContact O-N 3.34Å; L1203-I1300 HydrophobicContact CD1-CD1 3.92Å; L1203-I1300 HydrophobicContact CD1-CG1 4.29Å; L1203-I1300 HydrophobicContact CD1-CG2 3.99Å; L1203-I1300 HydrophobicContact CD2-CD1 4Å; L1203-I1300 HydrophobicContact CD2-CG1 4.39Å; L1203-I1300 HydrophobicContact CG-CD1 4.06Å; L1203-I1300 HydrophobicContact CG-CG1 4.12Å; L1203-I1300 HydrophobicContact CG-CG2 4.41Å; F1215-I1300 HydrophobicContact CE2-CG2 4.24Å; F1215-I1300 HydrophobicContact CZ-CG2 3.93Å; I1226-I1300 HydrophobicContact CD1-CD1 3.98Å; I1226-I1300 HydrophobicContact CG1-CD1 3.84Å; I1241-I1300 HydrophobicContact CD1-CD1 3.98Å; I1241-I1300 HydrophobicContact CG1-CD1 4.04Å; I1241-I1300 HydrophobicContact CG2-CB 4.36Å; I1241-I1300 HydrophobicContact CG2-CD1 4.35Å; L1298-I1300 HydrophobicContact CB-CG2 4.44Å; I1300-V1302 HydrophobicContact CD1-CG1 3.64Å; I1300-V1302 HydrophobicContact CG1-CG1 4.11Å
1301C92.3Very high86.2Confident1 Ų145.3 Ų45.31%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-85129.8168.4177.40000108.1Y1200 D1242 V1256 I1278Y1200-C1301 HydrophobicContact CD1-CB 4.46Å; Y1200-C1301 HydrophobicContact CE1-CB 4.45Å; D1242-C1301 HydrophobicContact CB-CB 4.1Å; D1242-C1301 PolarHBondContact N-O 3.25Å; V1256-C1301 HydrophobicContact CG2-CB 3.66Å; V1256-C1301 VanDerWaalsContact CG2-N 3.31Å; I1278-C1301 HydrophobicContact CD1-CB 4.23Å; I1278-C1301 WeakPolarHBondContact CD1-SG 3.35Å; I1278-C1301 HydrophobicContact CG1-CB 4.18Å
1302V93.6Very high85.8Confident0 Ų044.2 Ų44.20%025%0.25CC..EExtended strand (participates in β ladder)trans-126.6135.2176.9-700000110.5Y1198 F1199 I1201 I1226 F1239 T1240 I1241 I1300Y1198-V1302 CarbonylContact C-O 3.54Å; Y1198-V1302 WeakPolarHBondContact CA-O 3.4Å; Y1198-V1302 WeakPolarHBondContact CB-O 3.37Å; F1199-V1302 HydrophobicContact CD1-CG2 3.76Å; F1199-V1302 HydrophobicContact CD2-CG2 4.06Å; F1199-V1302 HydrophobicContact CE1-CB 4.41Å; F1199-V1302 HydrophobicContact CE1-CG2 3.42Å; F1199-V1302 VanDerWaalsContact CE1-CG2 3.42Å; F1199-V1302 HydrophobicContact CE2-CG2 3.76Å; F1199-V1302 HydrophobicContact CG-CG2 4.06Å; F1199-V1302 HydrophobicContact CZ-CG2 3.43Å; F1199-V1302 VanDerWaalsContact CZ-CG2 3.43Å; F1199-V1302 PolarHBondContact N-O 2.8Å; F1199-V1302 WeakPolarHBondContact O-CG2 3.13Å; F1199-V1302 PolarHBondContact O-N 3.29Å; I1201-V1302 HydrophobicContact CB-CG2 4.43Å; I1201-V1302 HydrophobicContact CD1-CG1 4.32Å; I1201-V1302 HydrophobicContact CD1-CG2 3.69Å; I1201-V1302 HydrophobicContact CG1-CG2 3.75Å; I1226-V1302 HydrophobicContact CG1-CG1 4.11Å; F1239-V1302 HydrophobicContact CB-CB 3.84Å; F1239-V1302 HydrophobicContact CB-CG1 4.38Å; F1239-V1302 HydrophobicContact CB-CG2 4.27Å; T1240-V1302 CarbonylContact O-C 3.54Å; T1240-V1302 WeakPolarHBondContact O-CA 3.37Å; I1241-V1302 HydrophobicContact CG1-CG1 4.2Å; I1300-V1302 HydrophobicContact CD1-CG1 3.64Å; I1300-V1302 HydrophobicContact CG1-CG1 4.11Å
1303Q90.1Very high85.5Confident91 Ų9143 Ų4343%0.42524%0.243SC..EExtended strand (participates in β ladder)trans-73.5133.1176.9-65.6-176.7-11.300110N1197 T1240 D1305N1197-Q1303 CarbonylContact O-C 3.56Å; N1197-Q1303 VanDerWaalsContact O-CA 3.32Å; N1197-Q1303 WeakPolarHBondContact O-CA 3.39Å; T1240-Q1303 PolarHBondContact O-N 2.86Å; Q1303-D1305 PolarHBondContact O-N 3.1Å
1304K88.8Confident85Confident13 Ų1343 Ų436%0.05724%0.243CC..PPolyproline II helixtrans-57.3131.8172.6-65.6-168.5178179.70109.4D1184 S1185 D1186 N1197 F1199 T1306 V1312 M1313 P1314D1184-K1304 WeakPolarHBondContact OD1-CE 3.48Å; D1184-K1304 IonicContact OD1-NZ 2.95Å; D1184-K1304 PolarHBondContact OD1-NZ 3.07Å; D1184-K1304 IonicContact OD2-NZ 3.76Å; S1185-K1304 PolarHBondContact O-NZ 2.81Å; D1186-K1304 IonicContact OD1-NZ 3.93Å; D1186-K1304 PolarHBondContact OD1-NZ 3.01Å; N1197-K1304 PolarHBondContact O-N 3.42Å; F1199-K1304 HydrophobicContact CD1-CG 3.93Å; F1199-K1304 HydrophobicContact CE1-CG 4.48Å; K1304-T1306 PolarHBondContact O-N 2.67Å; K1304-V1312 HydrophobicContact CB-CG2 3.59Å; K1304-V1312 HydrophobicContact CD-CG2 3.53Å; K1304-V1312 HydrophobicContact CG-CG2 4.18Å; K1304-M1313 CarbonylContact C-O 3.51Å; K1304-M1313 WeakPolarHBondContact CA-O 3.26Å; K1304-M1313 VanDerWaalsContact CB-O 3.3Å; K1304-M1313 WeakPolarHBondContact CB-O 3.16Å; K1304-P1314 HydrophobicContact CG-CG 4.46Å
1305D86.8Confident84.3Confident7 Ų742.2 Ų42.24%0.03724%0.237CC..BIsolated β-bridgetrans-76.9121.6177.3-174.9-3.4000109.2C1237 S1238 F1239 Q1303 S1307 T1308 V1312 M1313C1237-D1305 WeakPolarHBondContact CA-OD2 3.37Å; C1237-D1305 HydrophobicContact CB-CB 4.12Å; C1237-D1305 WeakPolarHBondContact CB-OD2 3.44Å; S1238-D1305 PolarHBondContact N-OD2 3.02Å; S1238-D1305 WeakPolarHBondContact O-CB 3.47Å; F1239-D1305 HydrophobicContact CD1-CB 3.83Å; F1239-D1305 HydrophobicContact CE1-CB 3.83Å; Q1303-D1305 PolarHBondContact O-N 3.1Å; D1305-S1307 WeakPolarHBondContact OD1-CA 3.48Å; D1305-S1307 PolarHBondContact OD1-N 3.08Å; D1305-S1307 PolarHBondContact OD1-OG 3.19Å; D1305-T1308 PolarHBondContact OD1-N 3.27Å; D1305-T1308 VanDerWaalsContact OD1-N 3.11Å; D1305-T1308 WeakPolarHBondContact OD2-CB 3.09Å; D1305-T1308 PolarHBondContact OD2-OG1 2.92Å; D1305-V1312 CarbonylContact O-C 3.5Å; D1305-V1312 WeakPolarHBondContact O-CA 3.25Å; D1305-M1313 HydrophobicContact CB-CB 4.46Å; D1305-M1313 PolarHBondContact N-O 2.97Å; D1305-M1313 PolarHBondContact O-N 3.41Å
1306T81.3Confident83.2Confident73 Ų7337.1 Ų37.145%0.44822%0.223SC..  trans-111.72.3176.454.20000112.1Y1194 K1304 V1312Y1194-T1306 HydrophobicContact CD2-CG2 3.83Å; Y1194-T1306 HydrophobicContact CE2-CG2 3.49Å; Y1194-T1306 VanDerWaalsContact CE2-CG2 3.49Å; K1304-T1306 PolarHBondContact O-N 2.67Å; T1306-V1312 HydrophobicContact CG2-CB 4.09Å; T1306-V1312 HydrophobicContact CG2-CG2 4.01Å
1307S77.9Confident82.3Confident95 Ų9539.2 Ų39.266%0.66424%0.244SC*.SBendtrans-104.5-44.8-167.265.20000112.9D1305 L1309D1305-S1307 WeakPolarHBondContact OD1-CA 3.48Å; D1305-S1307 PolarHBondContact OD1-N 3.08Å; D1305-S1307 PolarHBondContact OD1-OG 3.19Å; S1307-L1309 PolarHBondContact O-N 3.41Å
1308T69.6Low81.3Confident67 Ų6739.5 Ų39.541%0.41126%0.255SS..SBendtrans-62.9-38.6-171-59.40000113D1305D1305-T1308 PolarHBondContact OD1-N 3.27Å; D1305-T1308 VanDerWaalsContact OD1-N 3.11Å; D1305-T1308 WeakPolarHBondContact OD2-CB 3.09Å; D1305-T1308 PolarHBondContact OD2-OG1 2.92Å
1309L70.4Confident80.2Confident88 Ų8841.7 Ų41.746%0.46128%0.277SS..SBendtrans-120.57.1-178.6-64.9178.2000114.1P1235 S1307 I1311 M1313P1235-L1309 HydrophobicContact CB-CD1 3.57Å; P1235-L1309 HydrophobicContact CG-CD1 3.48Å; P1235-L1309 VanDerWaalsContact CG-CD1 3.48Å; S1307-L1309 PolarHBondContact O-N 3.41Å; L1309-I1311 HydrophobicContact CB-CG1 4.04Å; L1309-I1311 PolarHBondContact O-N 3.06Å; L1309-M1313 HydrophobicContact CD1-CE 3.56Å; L1309-M1313 HydrophobicContact CD1-CG 4.34Å
1310G71.7Confident79.6Confident63 Ų6345.2 Ų45.265%0.64929%0.293SS*.SBendtrans66.3-1.3-176.100000115.6
1311I75.9Confident78.9Confident80 Ų8049.9 Ų49.941%0.4131%0.313SS..SBendtrans-117.7152.4170.855.7172.5000109L1309 M1313L1309-I1311 HydrophobicContact CB-CG1 4.04Å; L1309-I1311 PolarHBondContact O-N 3.06Å; I1311-M1313 HydrophobicContact CD1-CE 3.47Å; I1311-M1313 VanDerWaalsContact CD1-CE 3.47Å; I1311-M1313 HydrophobicContact CG1-CE 3.86Å; I1311-M1313 PolarHBondContact O-N 3.29Å
1312V81.5Confident78.7Confident3 Ų349.9 Ų49.92%0.01831%0.313CS..  trans-62.7127.9176.466.10000110.5D1186 Y1194 K1304 D1305 T1306 N1315D1186-V1312 HydrophobicContact CB-CG1 4.07Å; Y1194-V1312 HydrophobicContact CD1-CB 4.21Å; Y1194-V1312 HydrophobicContact CD1-CG1 4.08Å; Y1194-V1312 HydrophobicContact CD1-CG2 4.35Å; Y1194-V1312 HydrophobicContact CD2-CB 4.37Å; Y1194-V1312 HydrophobicContact CD2-CG2 4.35Å; Y1194-V1312 HydrophobicContact CE1-CB 3.63Å; Y1194-V1312 HydrophobicContact CE1-CG1 3.41Å; Y1194-V1312 VanDerWaalsContact CE1-CG1 3.41Å; Y1194-V1312 HydrophobicContact CE1-CG2 4.26Å; Y1194-V1312 HydrophobicContact CE2-CB 3.83Å; Y1194-V1312 HydrophobicContact CE2-CG2 4.27Å; Y1194-V1312 HydrophobicContact CG-CG2 4.4Å; Y1194-V1312 VanDerWaalsContact CZ-CB 3.41Å; K1304-V1312 HydrophobicContact CB-CG2 3.59Å; K1304-V1312 HydrophobicContact CD-CG2 3.53Å; K1304-V1312 HydrophobicContact CG-CG2 4.18Å; D1305-V1312 CarbonylContact O-C 3.5Å; D1305-V1312 WeakPolarHBondContact O-CA 3.25Å; T1306-V1312 HydrophobicContact CG2-CB 4.09Å; T1306-V1312 HydrophobicContact CG2-CG2 4.01Å; V1312-N1315 WeakPolarHBondContact O-CB 3.35Å
1313M82.3Confident78.3Confident4 Ų453.6 Ų53.62%0.0233%0.33CS..BIsolated β-bridgetrans-124137.7174.1-71.6-59.6-174.300109.2P1235 C1237 F1239 K1304 D1305 L1309 I1311 N1315 F1320P1235-M1313 HydrophobicContact CG-CE 4.22Å; C1237-M1313 HydrophobicContact CB-CB 4.39Å; C1237-M1313 VanDerWaalsContact SG-CB 3.57Å; F1239-M1313 HydrophobicContact CE1-CB 4.41Å; F1239-M1313 VanDerWaalsContact CE1-O 3.3Å; F1239-M1313 WeakPolarHBondContact CE1-O 3.34Å; K1304-M1313 CarbonylContact C-O 3.51Å; K1304-M1313 WeakPolarHBondContact CA-O 3.26Å; K1304-M1313 VanDerWaalsContact CB-O 3.3Å; K1304-M1313 WeakPolarHBondContact CB-O 3.16Å; D1305-M1313 HydrophobicContact CB-CB 4.46Å; D1305-M1313 PolarHBondContact N-O 2.97Å; D1305-M1313 PolarHBondContact O-N 3.41Å; L1309-M1313 HydrophobicContact CD1-CE 3.56Å; L1309-M1313 HydrophobicContact CD1-CG 4.34Å; I1311-M1313 HydrophobicContact CD1-CE 3.47Å; I1311-M1313 VanDerWaalsContact CD1-CE 3.47Å; I1311-M1313 HydrophobicContact CG1-CE 3.86Å; I1311-M1313 PolarHBondContact O-N 3.29Å; M1313-N1315 HydrophobicContact SD-CB 4.06Å; M1313-F1320 HydrophobicContact CE-CB 4.06Å; M1313-F1320 HydrophobicContact CE-CD2 4.19Å; M1313-F1320 HydrophobicContact CE-CG 4.26Å; M1313-F1320 HydrophobicContact SD-CB 3.79Å
1314P81.8Confident78.3Confident0 Ų056 Ų560%034%0.34CS..SBendcis-53.8142.1-13.222.3-34.3000113F1180 F1199 K1304 F1320 K1321F1180-P1314 HydrophobicContact CE1-CB 4.15Å; F1180-P1314 HydrophobicContact CE1-CG 3.58Å; F1180-P1314 HydrophobicContact CZ-CB 4.09Å; F1180-P1314 HydrophobicContact CZ-CG 3.86Å; F1199-P1314 HydrophobicContact CD1-CG 3.72Å; F1199-P1314 HydrophobicContact CD2-CG 4.18Å; F1199-P1314 HydrophobicContact CE1-CG 3.76Å; F1199-P1314 HydrophobicContact CE2-CG 4.2Å; F1199-P1314 HydrophobicContact CG-CG 3.94Å; F1199-P1314 HydrophobicContact CZ-CG 4Å; K1304-P1314 HydrophobicContact CG-CG 4.46Å; P1314-F1320 CarbonylContact C-O 3.55Å; P1314-F1320 VanDerWaalsContact CA-O 3.23Å; P1314-F1320 WeakPolarHBondContact CA-O 3.49Å; P1314-F1320 WeakPolarHBondContact CB-O 3.34Å; P1314-K1321 HydrophobicContact CB-CB 3.78Å
1315N76Confident78.2Confident31 Ų3156.9 Ų56.917%0.16635%0.352CS..BIsolated β-bridgetrans-101.189.2167.2-168.8-49.8000107.1V1312 M1313 S1317 A1318 G1319 F1320V1312-N1315 WeakPolarHBondContact O-CB 3.35Å; M1313-N1315 HydrophobicContact SD-CB 4.06Å; N1315-S1317 PolarHBondContact O-N 2.95Å; N1315-S1317 WeakPolarHBondContact OD1-CB 3.48Å; N1315-S1317 PolarHBondContact OD1-N 3.11Å; N1315-A1318 HydrophobicContact CB-CB 4.19Å; N1315-A1318 PolarHBondContact O-N 3Å; N1315-A1318 WeakPolarHBondContact OD1-CB 3.41Å; N1315-A1318 PolarHBondContact OD1-N 3.34Å; N1315-G1319 PolarHBondContact O-N 3.39Å; N1315-F1320 HydrophobicContact CB-CB 4.39Å; N1315-F1320 PolarHBondContact N-O 3.46Å; N1315-F1320 PolarHBondContact O-N 3.47Å; N1315-F1320 VanDerWaalsContact O-N 3.13Å
1316A66.4Low78.4Confident41 Ų4156.7 Ų56.734%0.33935%0.351SS..G310 helixtrans-58.4-36.5-176.900000111.1D1186 A1318 G1319D1186-A1316 PolarHBondContact OD2-N 3.14Å; A1316-A1318 VanDerWaalsContact C-N 3.33Å; A1316-A1318 PolarHBondContact O-N 3.36Å; A1316-G1319 PolarHBondContact O-N 3.27Å
1317S67.8Low78.9Confident105 Ų10554.9 Ų54.973%0.73434%0.338SS*.G310 helixtrans-64.7-33-179.3-51.10000113.6D1186 N1315D1186-S1317 PolarHBondContact OD2-N 2.94Å; D1186-S1317 PolarHBondContact OD2-OG 2.98Å; N1315-S1317 PolarHBondContact O-N 2.95Å; N1315-S1317 WeakPolarHBondContact OD1-CB 3.48Å; N1315-S1317 PolarHBondContact OD1-N 3.11Å
1318A70.2Confident79.6Confident55 Ų5550.3 Ų50.346%0.45531%0.307SS..G310 helixtrans-94.9-2.2178.400000113.6N1315 A1316 F1320N1315-A1318 HydrophobicContact CB-CB 4.19Å; N1315-A1318 PolarHBondContact O-N 3Å; N1315-A1318 WeakPolarHBondContact OD1-CB 3.41Å; N1315-A1318 PolarHBondContact OD1-N 3.34Å; A1316-A1318 VanDerWaalsContact C-N 3.33Å; A1316-A1318 PolarHBondContact O-N 3.36Å; A1318-F1320 VanDerWaalsContact C-N 3.27Å; A1318-F1320 HydrophobicContact CB-CD2 3.57Å; A1318-F1320 HydrophobicContact CB-CE2 3.85Å; A1318-F1320 PolarHBondContact O-N 2.98Å
1319G70.1Confident80.6Confident45 Ų4548.5 Ų48.546%0.46430%0.296SS..THydrogen-bonded Turntrans78.74-176.400000114.7N1315 A1316 K1321N1315-G1319 PolarHBondContact O-N 3.39Å; A1316-G1319 PolarHBondContact O-N 3.27Å; G1319-K1321 PolarHBondContact O-N 3.1Å; G1319-K1321 VanDerWaalsContact O-N 3.16Å
1320F81.2Confident81.5Confident87 Ų8745.3 Ų45.338%0.38228%0.279SS..BIsolated β-bridgetrans-83.888.4178-62.3-59.6000110.5G1233 M1313 P1314 N1315 A1318G1233-F1320 CarbonylContact O-C 3.52Å; G1233-F1320 VanDerWaalsContact O-CA 3.22Å; G1233-F1320 WeakPolarHBondContact O-CA 3.49Å; M1313-F1320 HydrophobicContact CE-CB 4.06Å; M1313-F1320 HydrophobicContact CE-CD2 4.19Å; M1313-F1320 HydrophobicContact CE-CG 4.26Å; M1313-F1320 HydrophobicContact SD-CB 3.79Å; P1314-F1320 CarbonylContact C-O 3.55Å; P1314-F1320 VanDerWaalsContact CA-O 3.23Å; P1314-F1320 WeakPolarHBondContact CA-O 3.49Å; P1314-F1320 WeakPolarHBondContact CB-O 3.34Å; N1315-F1320 HydrophobicContact CB-CB 4.39Å; N1315-F1320 PolarHBondContact N-O 3.46Å; N1315-F1320 PolarHBondContact O-N 3.47Å; N1315-F1320 VanDerWaalsContact O-N 3.13Å; A1318-F1320 VanDerWaalsContact C-N 3.27Å; A1318-F1320 HydrophobicContact CB-CD2 3.57Å; A1318-F1320 HydrophobicContact CB-CE2 3.85Å; A1318-F1320 PolarHBondContact O-N 2.98Å
1321K81.1Confident82.3Confident98 Ų9845.1 Ų45.143%0.42627%0.265SS..  trans-139.7147.3-177.163-179.8-179.6178.30113.1F1180 G1233 P1314 G1319F1180-K1321 HydrophobicContact CE2-CD 4.04Å; F1180-K1321 HydrophobicContact CZ-CB 4.1Å; F1180-K1321 HydrophobicContact CZ-CD 4.36Å; G1233-K1321 CarbonylContact C-O 3.49Å; G1233-K1321 PolarHBondContact O-N 2.92Å; P1314-K1321 HydrophobicContact CB-CB 3.78Å; G1319-K1321 PolarHBondContact O-N 3.1Å; G1319-K1321 VanDerWaalsContact O-N 3.16Å
1322P87.3Confident82.7Confident2 Ų241.7 Ų41.71%0.01325%0.25CC..  trans-59148.3168-18.530000109.6I1175 V1178 F1199 L1228 C1234 F1239 D1326I1175-P1322 HydrophobicContact CD1-CB 3.93Å; V1178-P1322 HydrophobicContact CG2-CB 4.22Å; F1199-P1322 HydrophobicContact CE2-CG 3.93Å; F1199-P1322 HydrophobicContact CZ-CG 3.97Å; L1228-P1322 HydrophobicContact CD1-CB 4.39Å; L1228-P1322 HydrophobicContact CD1-CG 4.12Å; C1234-P1322 HydrophobicContact CB-CG 4.14Å; F1239-P1322 HydrophobicContact CE2-CG 3.58Å; F1239-P1322 HydrophobicContact CZ-CG 3.75Å; P1322-D1326 VanDerWaalsContact CA-OD2 3.25Å; P1322-D1326 WeakPolarHBondContact CA-OD2 3.46Å
1323Q87Confident83Confident77 Ų7742.5 Ų42.536%0.3625%0.254SS..  trans-135.7166.5177.666.2-167.1-58.900111.2N1232 G1325 D1326N1232-Q1323 PolarHBondContact O-NE2 2.9Å; Q1323-G1325 PolarHBondContact O-N 3.05Å; Q1323-D1326 WeakPolarHBondContact CG-OD1 3.37Å; Q1323-D1326 PolarHBondContact N-OD2 3.01Å; Q1323-D1326 WeakPolarHBondContact O-CB 3.07Å; Q1323-D1326 VanDerWaalsContact O-CG 3.27Å; Q1323-D1326 PolarHBondContact O-N 2.73Å; Q1323-D1326 VanDerWaalsContact O-N 3.16Å
1324K89.9Confident83Confident143 Ų14348.4 Ų48.462%0.62228%0.279SS*.THydrogen-bonded Turntrans-54.3132.6173.1175.8174.8-178.6176.20110.5I1175 A1176I1175-K1324 WeakPolarHBondContact O-CA 3.49Å; A1176-K1324 WeakPolarHBondContact O-CD 3.21Å; A1176-K1324 WeakPolarHBondContact O-CG 3.19Å
1325G85.9Confident82.8Confident31 Ų3150.7 Ų50.732%0.3229%0.294SS..THydrogen-bonded Turntrans92-7.8-178.600000114.8E1174 I1175 Q1323E1174-G1325 WeakPolarHBondContact OE1-CA 3.37Å; I1175-G1325 PolarHBondContact O-N 3.21Å; Q1323-G1325 PolarHBondContact O-N 3.05Å
1326D91.2Very high83.2Confident2 Ų249.3 Ų49.31%0.01129%0.287CS..  trans-65.5139172.6-72.1-12.2000110.4E1174 I1175 L1228 K1230 S1231 N1232 P1322 Q1323E1174-D1326 WeakPolarHBondContact CA-O 3.41Å; I1175-D1326 HydrophobicContact CD1-CB 4.1Å; I1175-D1326 HydrophobicContact CG1-CB 4.41Å; I1175-D1326 PolarHBondContact N-O 3.44Å; L1228-D1326 HydrophobicContact CD2-CB 4.44Å; K1230-D1326 CarbonylContact O-C 3.59Å; K1230-D1326 WeakPolarHBondContact O-CA 3.44Å; S1231-D1326 VanDerWaalsContact CA-OD1 3.24Å; S1231-D1326 WeakPolarHBondContact CA-OD1 3.36Å; S1231-D1326 VanDerWaalsContact CB-CG 3.47Å; S1231-D1326 WeakPolarHBondContact CB-OD2 3.25Å; S1231-D1326 PolarHBondContact OG-OD1 3.44Å; S1231-D1326 PolarHBondContact OG-OD2 3.47Å; N1232-D1326 PolarHBondContact N-OD1 3.39Å; P1322-D1326 VanDerWaalsContact CA-OD2 3.25Å; P1322-D1326 WeakPolarHBondContact CA-OD2 3.46Å; Q1323-D1326 WeakPolarHBondContact CG-OD1 3.37Å; Q1323-D1326 PolarHBondContact N-OD2 3.01Å; Q1323-D1326 WeakPolarHBondContact O-CB 3.07Å; Q1323-D1326 VanDerWaalsContact O-CG 3.27Å; Q1323-D1326 PolarHBondContact O-N 2.73Å; Q1323-D1326 VanDerWaalsContact O-N 3.16Å
1327L91.9Very high84.1Confident35 Ų3552.1 Ų52.118%0.18329%0.291CS..EExtended strand (participates in β ladder)trans-94.8141.7-179.2-53.5-179.7000111.5L1171 G1173 E1174 I1229 K1230L1171-L1327 HydrophobicContact CD1-CD2 3.9Å; G1173-L1327 CarbonylContact O-C 3.43Å; G1173-L1327 WeakPolarHBondContact O-CA 3.25Å; E1174-L1327 HydrophobicContact CB-CD2 3.95Å; E1174-L1327 HydrophobicContact CG-CD2 4.22Å; I1229-L1327 HydrophobicContact CD1-CB 4.1Å; I1229-L1327 HydrophobicContact CG1-CB 3.76Å; I1229-L1327 WeakPolarHBondContact CG1-O 3.46Å; I1229-L1327 PolarHBondContact N-O 3.03Å; K1230-L1327 HydrophobicContact CB-CB 3.97Å; K1230-L1327 HydrophobicContact CB-CD1 4.08Å; K1230-L1327 HydrophobicContact CB-CG 4.17Å; K1230-L1327 HydrophobicContact CD-CD1 4.15Å; K1230-L1327 PolarHBondContact N-O 3.48Å; K1230-L1327 PolarHBondContact O-N 3.13Å
1328F92.2Very high85.1Confident0 Ų049 Ų490%027%0.268CS..EExtended strand (participates in β ladder)trans-142.1164.5-179.370.2-92.2000113.1L1172 G1173 E1174 I1175 L1203 I1226 N1227 L1228 I1330L1172-F1328 WeakPolarHBondContact O-CZ 3.26Å; G1173-F1328 WeakPolarHBondContact CA-O 3.36Å; G1173-F1328 WeakPolarHBondContact O-CD1 3.35Å; G1173-F1328 PolarHBondContact O-N 3.49Å; E1174-F1328 VanDerWaalsContact C-CE1 3.46Å; I1175-F1328 HydrophobicContact CG1-CD1 3.7Å; I1175-F1328 HydrophobicContact CG1-CE1 4.05Å; L1203-F1328 HydrophobicContact CD2-CE1 4Å; L1203-F1328 HydrophobicContact CD2-CE2 4.3Å; L1203-F1328 HydrophobicContact CD2-CZ 3.57Å; I1226-F1328 HydrophobicContact CD1-CD2 3.65Å; I1226-F1328 HydrophobicContact CD1-CE2 3.59Å; I1226-F1328 HydrophobicContact CD1-CG 4.42Å; I1226-F1328 HydrophobicContact CD1-CZ 4.29Å; I1226-F1328 HydrophobicContact CG2-CB 3.67Å; I1226-F1328 HydrophobicContact CG2-CD1 4.41Å; I1226-F1328 HydrophobicContact CG2-CD2 3.92Å; I1226-F1328 HydrophobicContact CG2-CG 3.74Å; N1227-F1328 CarbonylContact O-C 3.51Å; N1227-F1328 WeakPolarHBondContact O-CA 3.36Å; N1227-F1328 WeakPolarHBondContact O-CB 3.47Å; L1228-F1328 HydrophobicContact CD2-CB 4.19Å; F1328-I1330 HydrophobicContact CD2-CG1 4.05Å; F1328-I1330 HydrophobicContact CE2-CD1 4.02Å; F1328-I1330 HydrophobicContact CE2-CG1 3.69Å
1329V90.6Very high86Confident29 Ų2946.9 Ų46.918%0.17625%0.249CC..EExtended strand (participates in β ladder)trans-123.9153.9165.6-62.60000111I1161 N1162 N1227 I1229I1161-V1329 HydrophobicContact CG2-CB 4.17Å; I1161-V1329 HydrophobicContact CG2-CG1 4.16Å; N1162-V1329 HydrophobicContact CB-CG1 4.19Å; N1227-V1329 HydrophobicContact CB-CG2 3.93Å; N1227-V1329 PolarHBondContact N-O 2.87Å; N1227-V1329 PolarHBondContact ND2-O 3.15Å; N1227-V1329 PolarHBondContact O-N 2.98Å; I1229-V1329 HydrophobicContact CD1-CG1 4.04Å; I1229-V1329 HydrophobicContact CG2-CB 4.44Å; I1229-V1329 HydrophobicContact CG2-CG1 3.94Å; I1229-V1329 HydrophobicContact CG2-CG2 3.86Å
1330I90.3Very high87Confident21 Ų2145 Ų4511%0.10823%0.228CC..EExtended strand (participates in β ladder)trans-104.2127.5-179.4-49.2-179.2000110.2I1161 F1206 L1214 K1225 I1226 F1328 I1333I1161-I1330 HydrophobicContact CD1-CD1 3.81Å; I1161-I1330 HydrophobicContact CD1-CG1 4.18Å; F1206-I1330 HydrophobicContact CE2-CD1 3.73Å; F1206-I1330 HydrophobicContact CZ-CD1 3.86Å; L1214-I1330 HydrophobicContact CD1-CD1 3.79Å; L1214-I1330 HydrophobicContact CD1-CG2 4.19Å; L1214-I1330 HydrophobicContact CD2-CD1 4.4Å; K1225-I1330 VanDerWaalsContact O-CA 3.25Å; K1225-I1330 WeakPolarHBondContact O-CA 3.46Å; I1226-I1330 HydrophobicContact CD1-CD1 4.5Å; I1226-I1330 HydrophobicContact CD1-CG1 4.12Å; F1328-I1330 HydrophobicContact CD2-CG1 4.05Å; F1328-I1330 HydrophobicContact CE2-CD1 4.02Å; F1328-I1330 HydrophobicContact CE2-CG1 3.69Å; I1330-I1333 HydrophobicContact CB-CD1 4.24Å; I1330-I1333 HydrophobicContact CG2-CD1 3.99Å; I1330-I1333 HydrophobicContact CG2-CG1 4.28Å; I1330-I1333 HydrophobicContact CG2-CG2 3.89Å
1331T88.3Confident87.3Confident58 Ų5842.9 Ų42.936%0.35622%0.222SC..EExtended strand (participates in β ladder)trans-117.7170.4171.358.20000110.6A1224 K1225 N1227 I1333A1224-T1331 CarbonylContact C-O 3.53Å; A1224-T1331 WeakPolarHBondContact CA-O 3.03Å; K1225-T1331 PolarHBondContact N-O 3.29Å; K1225-T1331 PolarHBondContact O-N 3.47Å; N1227-T1331 VanDerWaalsContact ND2-CG2 3.29Å; N1227-T1331 WeakPolarHBondContact ND2-CG2 3.5Å; N1227-T1331 PolarHBondContact ND2-OG1 3.11Å; T1331-I1333 VanDerWaalsContact C-N 3.33Å
1332G84.6Confident87.7Confident9 Ų938.3 Ų38.39%0.09320%0.203CC..SBendtrans72.624.3-179.300000114.2E1222E1222-G1332 VanDerWaalsContact O-O 3.12Å
1333I87.2Confident87.8Confident20 Ų2038.2 Ų38.210%0.10320%0.203CC..BIsolated β-bridgetrans-119.8151.8173.861.2170.8000109.6F1212 L1214 H1217 A1224 I1330 T1331 P1335 P1336F1212-I1333 HydrophobicContact CE2-CD1 4.19Å; F1212-I1333 HydrophobicContact CZ-CD1 4.46Å; L1214-I1333 HydrophobicContact CD1-CG2 4.09Å; H1217-I1333 HydrophobicContact CB-CB 4.49Å; H1217-I1333 CarbonylContact O-C 3.49Å; H1217-I1333 WeakPolarHBondContact O-CA 3.48Å; H1217-I1333 WeakPolarHBondContact O-CB 3.44Å; A1224-I1333 HydrophobicContact CB-CG2 3.66Å; I1330-I1333 HydrophobicContact CB-CD1 4.24Å; I1330-I1333 HydrophobicContact CG2-CD1 3.99Å; I1330-I1333 HydrophobicContact CG2-CG1 4.28Å; I1330-I1333 HydrophobicContact CG2-CG2 3.89Å; T1331-I1333 VanDerWaalsContact C-N 3.33Å; I1333-P1335 WeakPolarHBondContact O-CD 3.33Å; I1333-P1336 HydrophobicContact CD1-CG 4.12Å
1334K82Confident88.1Confident127 Ų12734.7 Ų34.755%0.55219%0.186SC*.  trans-62124168.6-175.7177.9178.6-178.20106.9H1217 L1219 P1336H1217-K1334 PolarHBondContact CD2-O 3.33Å; H1217-K1334 PolarHBondContact O-N 2.92Å; L1219-K1334 HydrophobicContact CD2-CB 3.96Å; L1219-K1334 HydrophobicContact CG-CB 4.41Å; K1334-P1336 WeakPolarHBondContact O-CD 3.09Å
1335P77.2Confident88.1Confident48 Ų4832.6 Ų32.631%0.31218%0.177SC..  trans-52112.4-177.3-2733.4000110.7P823 I1333 K1337P823-P1335 HydrophobicContact CG-CB 4.28Å; I1333-P1335 WeakPolarHBondContact O-CD 3.33Å; P1335-K1337 PolarHBondContact O-N 3.19Å
1336P85.6Confident88.3Confident3 Ų334.6 Ų34.62%0.01918%0.175CC..  trans-63130.4180-20.831.7000109.9F1212 H1217 I1333 K1334 V1338 L1339 V1340F1212-P1336 HydrophobicContact CB-CB 4.18Å; F1212-P1336 HydrophobicContact CD1-CB 4.21Å; F1212-P1336 HydrophobicContact CD1-CG 4.22Å; F1212-P1336 HydrophobicContact CD2-CB 4.08Å; F1212-P1336 HydrophobicContact CD2-CG 3.63Å; F1212-P1336 HydrophobicContact CE1-CG 4.29Å; F1212-P1336 HydrophobicContact CE2-CG 3.7Å; F1212-P1336 HydrophobicContact CG-CB 3.89Å; F1212-P1336 HydrophobicContact CG-CG 3.91Å; F1212-P1336 HydrophobicContact CZ-CG 4.04Å; H1217-P1336 HydrophobicContact CB-CG 4.4Å; H1217-P1336 VanDerWaalsContact CD2-CA 3.49Å; H1217-P1336 WeakPolarHBondContact CD2-CA 3.25Å; I1333-P1336 HydrophobicContact CD1-CG 4.12Å; K1334-P1336 WeakPolarHBondContact O-CD 3.09Å; P1336-V1338 HydrophobicContact CB-CG2 3.91Å; P1336-V1338 PolarHBondContact O-N 3.49Å; P1336-V1338 VanDerWaalsContact O-N 3.09Å; P1336-L1339 HydrophobicContact CB-CG 4.19Å; P1336-L1339 HydrophobicContact CG-CD1 4.02Å; P1336-L1339 HydrophobicContact CG-CG 4.23Å; P1336-L1339 PolarHBondContact O-N 2.81Å; P1336-V1340 PolarHBondContact O-N 2.92Å
1337K85.3Confident88.4Confident100 Ų10034.5 Ų34.544%0.43517%0.174SC..Hα-helixtrans-51.7-37.3178.3-179.8178.7-178.4166.70111.7D829 P1335 L1339 V1340 T1341D829-K1337 VanDerWaalsContact CG-NZ 3.3Å; D829-K1337 WeakPolarHBondContact OD1-CD 3.26Å; D829-K1337 WeakPolarHBondContact OD1-CE 3.49Å; D829-K1337 IonicContact OD1-NZ 3.49Å; D829-K1337 PolarHBondContact OD1-NZ 3.12Å; D829-K1337 VanDerWaalsContact OD1-NZ 3.08Å; D829-K1337 IonicContact OD2-NZ 2.77Å; D829-K1337 PolarHBondContact OD2-NZ 3.05Å; P1335-K1337 PolarHBondContact O-N 3.19Å; K1337-L1339 VanDerWaalsContact C-N 3.32Å; K1337-L1339 PolarHBondContact O-N 2.92Å; K1337-V1340 WeakPolarHBondContact O-CB 3.5Å; K1337-V1340 PolarHBondContact O-N 3.2Å; K1337-T1341 HydrophobicContact CG-CG2 4.44Å; K1337-T1341 PolarHBondContact O-N 3.15Å; K1337-T1341 PolarHBondContact O-OG1 2.85Å
1338V87.8Confident88.4Confident40 Ų4033.6 Ų33.624%0.24217%0.17CC..Hα-helixtrans-62-35178.7-62.40000113.3F1210 F1212 P1336 T1341 A1342F1210-V1338 WeakPolarHBondContact O-CG2 3.37Å; F1212-V1338 HydrophobicContact CB-CG2 3.74Å; F1212-V1338 HydrophobicContact CD1-CG2 3.88Å; F1212-V1338 HydrophobicContact CG-CG2 4.16Å; P1336-V1338 HydrophobicContact CB-CG2 3.91Å; P1336-V1338 PolarHBondContact O-N 3.49Å; P1336-V1338 VanDerWaalsContact O-N 3.09Å; V1338-T1341 VanDerWaalsContact CA-OG1 3.28Å; V1338-T1341 WeakPolarHBondContact CA-OG1 3.46Å; V1338-T1341 PolarHBondContact O-OG1 2.78Å; V1338-A1342 VanDerWaalsContact O-CB 3.26Å; V1338-A1342 WeakPolarHBondContact O-CB 3.48Å; V1338-A1342 PolarHBondContact O-N 2.94Å
1339L89.8Confident88.2Confident10 Ų1035.9 Ų35.95%0.05218%0.182CC..Hα-helixtrans-75.1-32.9176.3-64.8-172.2000111.6I1161 I1164 F1212 P1336 K1337 A1342 A1343I1161-L1339 HydrophobicContact CB-CD1 4.41Å; I1164-L1339 HydrophobicContact CG1-CD2 4Å; F1212-L1339 HydrophobicContact CD1-CD2 4.38Å; F1212-L1339 HydrophobicContact CD1-CG 4.31Å; F1212-L1339 HydrophobicContact CE1-CD1 3.87Å; F1212-L1339 HydrophobicContact CE1-CD2 3.99Å; F1212-L1339 HydrophobicContact CE1-CG 3.98Å; F1212-L1339 HydrophobicContact CZ-CD1 4.15Å; P1336-L1339 HydrophobicContact CB-CG 4.19Å; P1336-L1339 HydrophobicContact CG-CD1 4.02Å; P1336-L1339 HydrophobicContact CG-CG 4.23Å; P1336-L1339 PolarHBondContact O-N 2.81Å; K1337-L1339 VanDerWaalsContact C-N 3.32Å; K1337-L1339 PolarHBondContact O-N 2.92Å; L1339-A1342 PolarHBondContact O-N 2.85Å; L1339-A1343 WeakPolarHBondContact O-CB 3.45Å; L1339-A1343 PolarHBondContact O-N 3.42Å
1340V89.7Confident88Confident4 Ų435.4 Ų35.42%0.02418%0.181CC..Hα-helixtrans-64.1-49.4170.7179.90000109.7L822 P823 Y826 L1105 P1159 P1336 K1337 A1342 A1343 E1344L822-V1340 HydrophobicContact CD2-CG1 4.35Å; P823-V1340 HydrophobicContact CG-CG2 4.48Å; Y826-V1340 HydrophobicContact CD2-CG1 3.76Å; Y826-V1340 HydrophobicContact CE2-CG1 3.5Å; Y826-V1340 VanDerWaalsContact CE2-CG1 3.5Å; L1105-V1340 HydrophobicContact CD1-CG1 4.28Å; P1159-V1340 HydrophobicContact CB-CG2 4.21Å; P1159-V1340 HydrophobicContact CG-CB 4.47Å; P1159-V1340 HydrophobicContact CG-CG2 4.01Å; P1336-V1340 PolarHBondContact O-N 2.92Å; K1337-V1340 WeakPolarHBondContact O-CB 3.5Å; K1337-V1340 PolarHBondContact O-N 3.2Å; V1340-A1342 VanDerWaalsContact C-N 3.3Å; V1340-A1342 PolarHBondContact O-N 2.8Å; V1340-A1343 CarbonylContact O-C 3.44Å; V1340-A1343 WeakPolarHBondContact O-CA 3.32Å; V1340-A1343 WeakPolarHBondContact O-CB 2.73Å; V1340-A1343 PolarHBondContact O-N 2.97Å; V1340-A1343 VanDerWaalsContact O-N 3.07Å; V1340-E1344 WeakPolarHBondContact O-CG 3.31Å; V1340-E1344 PolarHBondContact O-N 2.97Å
1341T89.2Confident88Confident43 Ų4334.4 Ų34.426%0.26418%0.176SC..Hα-helixtrans-67.4-29177.752.90000112.9K1337 V1338 E1344 K1345K1337-T1341 HydrophobicContact CG-CG2 4.44Å; K1337-T1341 PolarHBondContact O-N 3.15Å; K1337-T1341 PolarHBondContact O-OG1 2.85Å; V1338-T1341 VanDerWaalsContact CA-OG1 3.28Å; V1338-T1341 WeakPolarHBondContact CA-OG1 3.46Å; V1338-T1341 PolarHBondContact O-OG1 2.78Å; T1341-E1344 PolarHBondContact O-N 2.94Å; T1341-K1345 WeakPolarHBondContact O-CB 3.48Å; T1341-K1345 PolarHBondContact O-N 2.97Å
1342A88Confident88.1Confident3 Ų332 Ų323%0.02516%0.161CC..Hα-helixtrans-67.7-36.7170.700000111.7I1164 F1210 V1338 L1339 V1340 R1346I1164-A1342 HydrophobicContact CD1-CB 3.76Å; F1210-A1342 HydrophobicContact CB-CB 4.26Å; F1210-A1342 HydrophobicContact CD1-CB 3.58Å; F1210-A1342 HydrophobicContact CD2-CB 4.16Å; F1210-A1342 HydrophobicContact CE1-CB 3.91Å; F1210-A1342 HydrophobicContact CE2-CB 4.44Å; F1210-A1342 HydrophobicContact CG-CB 3.72Å; F1210-A1342 HydrophobicContact CZ-CB 4.34Å; V1338-A1342 VanDerWaalsContact O-CB 3.26Å; V1338-A1342 WeakPolarHBondContact O-CB 3.48Å; V1338-A1342 PolarHBondContact O-N 2.94Å; L1339-A1342 PolarHBondContact O-N 2.85Å; V1340-A1342 VanDerWaalsContact C-N 3.3Å; V1340-A1342 PolarHBondContact O-N 2.8Å; A1342-R1346 WeakPolarHBondContact O-CG 3.41Å; A1342-R1346 PolarHBondContact O-N 2.85Å
1343A90Very high88.2Confident0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-69.6-42.417200000111.8L1105 P1159 L1339 V1340 K1345 R1346 L1347L1105-A1343 HydrophobicContact CD1-CB 4.12Å; L1105-A1343 HydrophobicContact CD2-CB 3.68Å; P1159-A1343 HydrophobicContact CB-CB 4.49Å; P1159-A1343 HydrophobicContact CG-CB 4.18Å; L1339-A1343 WeakPolarHBondContact O-CB 3.45Å; L1339-A1343 PolarHBondContact O-N 3.42Å; V1340-A1343 CarbonylContact O-C 3.44Å; V1340-A1343 WeakPolarHBondContact O-CA 3.32Å; V1340-A1343 WeakPolarHBondContact O-CB 2.73Å; V1340-A1343 PolarHBondContact O-N 2.97Å; V1340-A1343 VanDerWaalsContact O-N 3.07Å; A1343-K1345 VanDerWaalsContact C-N 3.27Å; A1343-K1345 PolarHBondContact O-N 3.43Å; A1343-R1346 PolarHBondContact O-N 2.99Å; A1343-R1346 VanDerWaalsContact O-N 3.16Å; A1343-L1347 WeakPolarHBondContact O-CB 3.42Å; A1343-L1347 PolarHBondContact O-N 3.12Å
1344E92.3Very high87.9Confident3 Ų338.7 Ų38.71%0.01419%0.188CC..Hα-helixtrans-57-43.2172.6-66.7176.8167.800110.6Y826 L1105 R1111 V1340 T1341 L1347 D1348Y826-E1344 WeakPolarHBondContact CE2-OE1 3.21Å; Y826-E1344 PolarHBondContact OH-OE1 2.87Å; L1105-E1344 HydrophobicContact CD1-CG 3.79Å; R1111-E1344 IonicContact CZ-OE1 2.82Å; R1111-E1344 VanDerWaalsContact CZ-OE1 3.3Å; R1111-E1344 IonicContact CZ-OE2 3.71Å; R1111-E1344 IonicContact NE-OE1 2.7Å; R1111-E1344 PolarHBondContact NE-OE1 2.75Å; R1111-E1344 IonicContact NE-OE2 3.56Å; R1111-E1344 PolarHBondContact NE-OE2 2.75Å; R1111-E1344 IonicContact NH2-OE1 3.28Å; R1111-E1344 PolarHBondContact NH2-OE1 2.82Å; R1111-E1344 IonicContact NH2-OE2 3.62Å; V1340-E1344 WeakPolarHBondContact O-CG 3.31Å; V1340-E1344 PolarHBondContact O-N 2.97Å; T1341-E1344 PolarHBondContact O-N 2.94Å; E1344-L1347 CarbonylContact O-C 3.6Å; E1344-L1347 WeakPolarHBondContact O-CB 3.36Å; E1344-L1347 PolarHBondContact O-N 3.12Å; E1344-D1348 PolarHBondContact O-N 3.1Å
1345K89.9Confident88.1Confident98 Ų9832.6 Ų32.643%0.42616%0.161SC..Hα-helixtrans-62.8-44.7174.7-176.8175.1-178.41530112.6F1210 T1341 A1343 L1347 D1348 D1349F1210-K1345 HydrophobicContact CE2-CD 4.46Å; F1210-K1345 HydrophobicContact CZ-CD 3.72Å; T1341-K1345 WeakPolarHBondContact O-CB 3.48Å; T1341-K1345 PolarHBondContact O-N 2.97Å; A1343-K1345 VanDerWaalsContact C-N 3.27Å; A1343-K1345 PolarHBondContact O-N 3.43Å; K1345-L1347 VanDerWaalsContact C-N 3.25Å; K1345-L1347 PolarHBondContact O-N 2.84Å; K1345-D1348 WeakPolarHBondContact O-CB 3.33Å; K1345-D1348 PolarHBondContact O-N 3.02Å; K1345-D1349 WeakPolarHBondContact O-CB 3.32Å; K1345-D1349 VanDerWaalsContact O-CG 3.26Å; K1345-D1349 PolarHBondContact O-N 2.74Å
1346R91.6Very high88.3Confident73 Ų7331.6 Ų31.628%0.27516%0.156SC..Hα-helixtrans-60.5-37.8174.7-77.6-176.9-69.9144.90.6111.6I1157 K1158 A1342 A1343 A1350I1157-R1346 HydrophobicContact CG2-CB 4Å; K1158-R1346 PolarHBondContact O-NH2 2.82Å; A1342-R1346 WeakPolarHBondContact O-CG 3.41Å; A1342-R1346 PolarHBondContact O-N 2.85Å; A1343-R1346 PolarHBondContact O-N 2.99Å; A1343-R1346 VanDerWaalsContact O-N 3.16Å; R1346-A1350 VanDerWaalsContact O-CB 3.26Å; R1346-A1350 WeakPolarHBondContact O-CB 3.35Å; R1346-A1350 PolarHBondContact O-N 3.06Å
1347L92.9Very high87.8Confident0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-66.2-43.9174.2179.261.5000111.2L1105 P1107 F1154 I1157 A1343 E1344 K1345 A1350 L1351L1105-L1347 HydrophobicContact CD2-CB 4.23Å; L1105-L1347 HydrophobicContact CD2-CD2 4.19Å; L1105-L1347 HydrophobicContact CG-CD2 4.12Å; L1105-L1347 WeakPolarHBondContact O-CD2 3.19Å; P1107-L1347 HydrophobicContact CG-CD2 4.39Å; F1154-L1347 HydrophobicContact CB-CD1 4.48Å; F1154-L1347 HydrophobicContact CD2-CD1 3.66Å; F1154-L1347 HydrophobicContact CE2-CD1 4.38Å; F1154-L1347 HydrophobicContact CG-CD1 4.49Å; I1157-L1347 HydrophobicContact CG2-CB 4.1Å; A1343-L1347 WeakPolarHBondContact O-CB 3.42Å; A1343-L1347 PolarHBondContact O-N 3.12Å; E1344-L1347 CarbonylContact O-C 3.6Å; E1344-L1347 WeakPolarHBondContact O-CB 3.36Å; E1344-L1347 PolarHBondContact O-N 3.12Å; K1345-L1347 VanDerWaalsContact C-N 3.25Å; K1345-L1347 PolarHBondContact O-N 2.84Å; L1347-A1350 PolarHBondContact O-N 2.85Å; L1347-L1351 HydrophobicContact CD1-CD1 4.04Å; L1347-L1351 HydrophobicContact CD1-CG 4.09Å; L1347-L1351 HydrophobicContact CG-CD1 3.85Å; L1347-L1351 HydrophobicContact CG-CG 4.35Å; L1347-L1351 WeakPolarHBondContact O-CB 3.3Å; L1347-L1351 WeakPolarHBondContact O-CG 3.21Å; L1347-L1351 PolarHBondContact O-N 2.78Å
1348D92.6Very high87.3Confident17 Ų1732.8 Ų32.89%0.09116%0.164CC..Hα-helixtrans-61.1-47176-62.7-17.7000111.3P1107 S1108 Y1120 E1344 K1345 A1350 L1351 V1352P1107-D1348 WeakPolarHBondContact CA-OD1 3.3Å; P1107-D1348 WeakPolarHBondContact CB-OD1 3.14Å; S1108-D1348 WeakPolarHBondContact CB-OD2 3.29Å; S1108-D1348 PolarHBondContact N-OD1 3.07Å; S1108-D1348 PolarHBondContact OG-OD2 3.08Å; Y1120-D1348 HydrophobicContact CE2-CB 4.32Å; Y1120-D1348 PolarHBondContact OH-OD1 2.96Å; Y1120-D1348 PolarHBondContact OH-OD2 2.7Å; E1344-D1348 PolarHBondContact O-N 3.1Å; K1345-D1348 WeakPolarHBondContact O-CB 3.33Å; K1345-D1348 PolarHBondContact O-N 3.02Å; D1348-A1350 VanDerWaalsContact C-N 3.32Å; D1348-A1350 PolarHBondContact O-N 2.94Å; D1348-L1351 PolarHBondContact O-N 2.77Å; D1348-V1352 WeakPolarHBondContact O-CB 3.36Å; D1348-V1352 VanDerWaalsContact O-CG2 3.29Å; D1348-V1352 WeakPolarHBondContact O-CG2 3.48Å; D1348-V1352 PolarHBondContact O-N 2.94Å
1349D88Confident87Confident48 Ų4830.9 Ų30.926%0.25715%0.152SC..Hα-helixtrans-61.5-42.2178.1-69.2-21.9000110.4P1130 K1345 K1353P1130-D1349 HydrophobicContact CG-CB 4.1Å; K1345-D1349 WeakPolarHBondContact O-CB 3.32Å; K1345-D1349 VanDerWaalsContact O-CG 3.26Å; K1345-D1349 PolarHBondContact O-N 2.74Å; D1349-K1353 WeakPolarHBondContact O-CB 3.42Å; D1349-K1353 PolarHBondContact O-N 2.81Å
1350A86.1Confident86Confident19 Ų1932.7 Ų32.716%0.15716%0.164CC..Hα-helixtrans-66.8-40.8175.900000112.6F1154 I1157 R1346 L1347 D1348 H1354F1154-A1350 HydrophobicContact CD1-CB 4.37Å; F1154-A1350 HydrophobicContact CD2-CB 4.24Å; F1154-A1350 HydrophobicContact CE1-CB 4.02Å; F1154-A1350 HydrophobicContact CE2-CB 3.83Å; F1154-A1350 HydrophobicContact CG-CB 4.48Å; F1154-A1350 HydrophobicContact CZ-CB 3.73Å; I1157-A1350 HydrophobicContact CD1-CB 3.61Å; R1346-A1350 VanDerWaalsContact O-CB 3.26Å; R1346-A1350 WeakPolarHBondContact O-CB 3.35Å; R1346-A1350 PolarHBondContact O-N 3.06Å; L1347-A1350 PolarHBondContact O-N 2.85Å; D1348-A1350 VanDerWaalsContact C-N 3.32Å; D1348-A1350 PolarHBondContact O-N 2.94Å; A1350-H1354 VanDerWaalsContact O-CB 3.24Å; A1350-H1354 WeakPolarHBondContact O-CB 3.48Å; A1350-H1354 PolarHBondContact O-N 2.94Å
1351L90.5Very high84.9Confident0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-67-45.5177.1-74.7169.5000111.8I813 P1107 V1152 F1154 L1347 D1348 H1354 M1355I813-L1351 HydrophobicContact CD1-CD2 4.3Å; I813-L1351 HydrophobicContact CG1-CD2 4.18Å; I813-L1351 HydrophobicContact CG2-CB 4.26Å; P1107-L1351 HydrophobicContact CB-CD1 3.82Å; P1107-L1351 HydrophobicContact CG-CD1 3.59Å; V1152-L1351 HydrophobicContact CG1-CD2 3.38Å; F1154-L1351 HydrophobicContact CE2-CD2 4.07Å; F1154-L1351 HydrophobicContact CE2-CG 4.31Å; L1347-L1351 HydrophobicContact CD1-CD1 4.04Å; L1347-L1351 HydrophobicContact CD1-CG 4.09Å; L1347-L1351 HydrophobicContact CG-CD1 3.85Å; L1347-L1351 HydrophobicContact CG-CG 4.35Å; L1347-L1351 WeakPolarHBondContact O-CB 3.3Å; L1347-L1351 WeakPolarHBondContact O-CG 3.21Å; L1347-L1351 PolarHBondContact O-N 2.78Å; D1348-L1351 PolarHBondContact O-N 2.77Å; L1351-H1354 PolarHBondContact O-N 2.8Å; L1351-M1355 WeakPolarHBondContact O-CB 3.3Å; L1351-M1355 PolarHBondContact O-N 2.79Å
1352V89.6Confident83.7Confident8 Ų835.3 Ų35.35%0.04818%0.175CC..Hα-helixtrans-66-42.6177.4171.20000110.5Y1120 H1127 Y1136 F1138 D1348 M1355 S1356Y1120-V1352 HydrophobicContact CD1-CG2 4.09Å; Y1120-V1352 HydrophobicContact CG-CG2 4.18Å; H1127-V1352 HydrophobicContact CB-CG1 3.55Å; H1127-V1352 HydrophobicContact CB-CG2 4.36Å; Y1136-V1352 HydrophobicContact CD2-CG1 3.45Å; Y1136-V1352 VanDerWaalsContact CD2-CG1 3.45Å; Y1136-V1352 HydrophobicContact CE2-CG1 3.61Å; Y1136-V1352 HydrophobicContact CG-CG1 4.03Å; F1138-V1352 HydrophobicContact CZ-CG1 4.15Å; D1348-V1352 WeakPolarHBondContact O-CB 3.36Å; D1348-V1352 VanDerWaalsContact O-CG2 3.29Å; D1348-V1352 WeakPolarHBondContact O-CG2 3.48Å; D1348-V1352 PolarHBondContact O-N 2.94Å; V1352-M1355 PolarHBondContact O-N 2.88Å; V1352-S1356 WeakPolarHBondContact O-CB 3.47Å; V1352-S1356 PolarHBondContact O-N 3Å
1353K85.9Confident82.8Confident108 Ų10837.1 Ų37.147%0.4718%0.182SC..Hα-helixtrans-57.3-50.5173.1-179.3178.5170.3-1730110.2D1349 M1355 S1356 E1357D1349-K1353 WeakPolarHBondContact O-CB 3.42Å; D1349-K1353 PolarHBondContact O-N 2.81Å; K1353-M1355 VanDerWaalsContact C-N 3.34Å; K1353-M1355 PolarHBondContact O-N 3.24Å; K1353-S1356 PolarHBondContact O-N 3.22Å; K1353-S1356 VanDerWaalsContact O-N 3.07Å; K1353-S1356 PolarHBondContact O-OG 2.83Å; K1353-E1357 WeakPolarHBondContact CE-OE1 3.47Å; K1353-E1357 HydrophobicContact CG-CG 4.49Å; K1353-E1357 WeakPolarHBondContact CG-OE1 3.18Å; K1353-E1357 IonicContact NZ-OE1 3.77Å; K1353-E1357 WeakPolarHBondContact O-CG 3.35Å; K1353-E1357 PolarHBondContact O-N 3.24Å
1354H82Confident82Confident60 Ų6040.5 Ų40.528%0.27820%0.2SC..Hα-helixtrans-62.9-39.2179.5-166.743.7000112.6I813 F1154 A1350 L1351 E1357 N1358I813-H1354 HydrophobicContact CD1-CB 4.19Å; F1154-H1354 HydrophobicContact CZ-CB 4.41Å; A1350-H1354 VanDerWaalsContact O-CB 3.24Å; A1350-H1354 WeakPolarHBondContact O-CB 3.48Å; A1350-H1354 PolarHBondContact O-N 2.94Å; L1351-H1354 PolarHBondContact O-N 2.8Å; H1354-E1357 PolarHBondContact O-N 3.48Å; H1354-N1358 PolarHBondContact CE1-ND2 3.33Å; H1354-N1358 PolarHBondContact ND1-ND2 3.2Å; H1354-N1358 VanDerWaalsContact ND1-ND2 3.15Å; H1354-N1358 WeakPolarHBondContact O-CB 3.02Å; H1354-N1358 PolarHBondContact O-N 3.01Å; H1354-N1358 VanDerWaalsContact O-N 3.16Å; H1354-N1358 PolarHBondContact O-ND2 2.97Å
1355M86.7Confident81.3Confident0 Ų040.5 Ų40.50%020%0.2CC..Hα-helixtrans-61.5-46.7171.4180171.865.700111V810 I813 A1122 F1138 L1351 V1352 K1353 E1357 N1358 N1359V810-M1355 HydrophobicContact CG1-CG 4.25Å; I813-M1355 HydrophobicContact CB-CB 4.1Å; I813-M1355 HydrophobicContact CB-CG 4.45Å; I813-M1355 HydrophobicContact CB-SD 4.28Å; I813-M1355 HydrophobicContact CD1-CB 4.19Å; I813-M1355 HydrophobicContact CG2-CB 3.74Å; I813-M1355 HydrophobicContact CG2-CG 4.27Å; I813-M1355 HydrophobicContact CG2-SD 3.85Å; A1122-M1355 HydrophobicContact CB-CE 4.47Å; A1122-M1355 HydrophobicContact CB-SD 4.11Å; F1138-M1355 HydrophobicContact CE1-CE 3.64Å; F1138-M1355 HydrophobicContact CE1-CG 4.04Å; F1138-M1355 HydrophobicContact CZ-CE 3.7Å; L1351-M1355 WeakPolarHBondContact O-CB 3.3Å; L1351-M1355 PolarHBondContact O-N 2.79Å; V1352-M1355 PolarHBondContact O-N 2.88Å; K1353-M1355 VanDerWaalsContact C-N 3.34Å; K1353-M1355 PolarHBondContact O-N 3.24Å; M1355-E1357 VanDerWaalsContact C-N 3.34Å; M1355-E1357 PolarHBondContact O-N 3.49Å; M1355-N1358 CarbonylContact O-C 3.59Å; M1355-N1358 PolarHBondContact O-N 2.8Å; M1355-N1358 VanDerWaalsContact O-N 3.17Å; M1355-N1359 WeakPolarHBondContact O-CA 2.89Å; M1355-N1359 WeakPolarHBondContact O-CB 3.38Å; M1355-N1359 PolarHBondContact O-N 2.89Å
1356S80.8Confident80.7Confident27 Ų2738 Ų3819%0.18920%0.195CC..Hα-helixtrans-61.4-41-18074.90000112.4Y1136 V1352 K1353 N1358 N1359Y1136-S1356 WeakPolarHBondContact CD1-OG 3.28Å; Y1136-S1356 VanDerWaalsContact CE1-OG 3.3Å; Y1136-S1356 WeakPolarHBondContact CE1-OG 3.46Å; V1352-S1356 WeakPolarHBondContact O-CB 3.47Å; V1352-S1356 PolarHBondContact O-N 3Å; K1353-S1356 PolarHBondContact O-N 3.22Å; K1353-S1356 VanDerWaalsContact O-N 3.07Å; K1353-S1356 PolarHBondContact O-OG 2.83Å; S1356-N1358 PolarHBondContact O-N 3.46Å; S1356-N1359 PolarHBondContact O-N 3.06Å
1357E75Confident80.2Confident82 Ų8234.5 Ų34.538%0.38318%0.181SC..Hα-helixtrans-67.8-24.7178.3-71168.1168.300112.6K1353 H1354 M1355 Q1362K1353-E1357 WeakPolarHBondContact CE-OE1 3.47Å; K1353-E1357 HydrophobicContact CG-CG 4.49Å; K1353-E1357 WeakPolarHBondContact CG-OE1 3.18Å; K1353-E1357 IonicContact NZ-OE1 3.77Å; K1353-E1357 WeakPolarHBondContact O-CG 3.35Å; K1353-E1357 PolarHBondContact O-N 3.24Å; H1354-E1357 PolarHBondContact O-N 3.48Å; M1355-E1357 VanDerWaalsContact C-N 3.34Å; M1355-E1357 PolarHBondContact O-N 3.49Å; E1357-Q1362 PolarHBondContact O-NE2 3.23Å
1358N75.6Confident79.9Confident45 Ų4537.2 Ų37.224%0.24119%0.193CC..THydrogen-bonded Turntrans-110.19.8179.4-65.6-90.4000112.9V810 H1354 M1355 S1356V810-N1358 HydrophobicContact CB-CB 4.18Å; V810-N1358 HydrophobicContact CG2-CB 3.97Å; V810-N1358 PolarHBondContact N-O 2.55Å; H1354-N1358 PolarHBondContact CE1-ND2 3.33Å; H1354-N1358 PolarHBondContact ND1-ND2 3.2Å; H1354-N1358 VanDerWaalsContact ND1-ND2 3.15Å; H1354-N1358 WeakPolarHBondContact O-CB 3.02Å; H1354-N1358 PolarHBondContact O-N 3.01Å; H1354-N1358 VanDerWaalsContact O-N 3.16Å; H1354-N1358 PolarHBondContact O-ND2 2.97Å; M1355-N1358 CarbonylContact O-C 3.59Å; M1355-N1358 PolarHBondContact O-N 2.8Å; M1355-N1358 VanDerWaalsContact O-N 3.17Å; S1356-N1358 PolarHBondContact O-N 3.46Å
1359N80.4Confident79.6Confident1 Ų136.4 Ų36.41%0.00519%0.189CC..THydrogen-bonded Turntrans-89.4-27.1-177.7-175.2-107.8000113I809 V810 A1122 F1138 V1139 N1140 M1355 S1356I809-N1359 VanDerWaalsContact CG2-O 3.31Å; I809-N1359 WeakPolarHBondContact CG2-O 3.22Å; V810-N1359 PolarHBondContact O-ND2 2.96Å; A1122-N1359 WeakPolarHBondContact CB-ND2 3.5Å; F1138-N1359 WeakPolarHBondContact CA-OD1 3.43Å; F1138-N1359 VanDerWaalsContact CB-OD1 3.3Å; F1138-N1359 WeakPolarHBondContact CB-OD1 3.42Å; F1138-N1359 HydrophobicContact CD1-CB 3.89Å; V1139-N1359 PolarHBondContact N-OD1 2.91Å; N1140-N1359 WeakPolarHBondContact CB-O 3.17Å; N1140-N1359 PolarHBondContact N-OD1 3.03Å; N1140-N1359 PolarHBondContact ND2-O 3.11Å; N1140-N1359 PolarHBondContact O-ND2 2.94Å; N1140-N1359 PolarHBondContact O-OD1 3.45Å; M1355-N1359 WeakPolarHBondContact O-CA 2.89Å; M1355-N1359 WeakPolarHBondContact O-CB 3.38Å; M1355-N1359 PolarHBondContact O-N 2.89Å; S1356-N1359 PolarHBondContact O-N 3.06Å
1360T69.2Low79.2Confident48 Ų4834.7 Ų34.729%0.29418%0.181SC..SBendtrans-92.8144.9174.345.60000110N806 V1139 Q1362N806-T1360 PolarHBondContact ND2-O 2.93Å; V1139-T1360 HydrophobicContact CB-CG2 3.44Å; V1139-T1360 VanDerWaalsContact CB-CG2 3.44Å; V1139-T1360 HydrophobicContact CG1-CG2 4.22Å; V1139-T1360 HydrophobicContact CG2-CG2 3.23Å; T1360-Q1362 PolarHBondContact O-N 2.89Å
1361D66.3Low78.9Confident52 Ų5235.6 Ų35.628%0.27818%0.18SC..  trans-53.9114.8162.2-70.7-56.8000109.1N804 N806 I809 F1363N804-D1361 PolarHBondContact ND2-OD1 3.14Å; N806-D1361 VanDerWaalsContact ND2-CA 3.32Å; N806-D1361 WeakPolarHBondContact ND2-CA 3.24Å; I809-D1361 VanDerWaalsContact CD1-OD1 3.24Å; I809-D1361 WeakPolarHBondContact CD1-OD1 3.47Å; I809-D1361 WeakPolarHBondContact CG1-OD1 3.46Å; D1361-F1363 HydrophobicContact CB-CD2 4.21Å; D1361-F1363 HydrophobicContact CB-CE1 4.12Å; D1361-F1363 HydrophobicContact CB-CE2 3.35Å; D1361-F1363 HydrophobicContact CB-CZ 3.3Å; D1361-F1363 WeakPolarHBondContact O-CD2 3.38Å; D1361-F1363 WeakPolarHBondContact O-CE2 3.31Å
1362Q65.1Low78.3Confident50 Ų5040.1 Ų40.123%0.23420%0.203CC..  trans-86.8136.3168.6-59.6-132.319.200107.2N804 A805 N806 E1357 T1360N804-Q1362 PolarHBondContact OD1-O 2.88Å; A805-Q1362 HydrophobicContact CB-CB 4.42Å; A805-Q1362 PolarHBondContact N-O 2.93Å; N806-Q1362 PolarHBondContact ND2-N 3.12Å; N806-Q1362 VanDerWaalsContact ND2-N 3.16Å; N806-Q1362 WeakPolarHBondContact OD1-CB 3.34Å; N806-Q1362 VanDerWaalsContact OD1-CG 3.29Å; N806-Q1362 WeakPolarHBondContact OD1-CG 3.35Å; N806-Q1362 PolarHBondContact OD1-N 3.26Å; E1357-Q1362 PolarHBondContact O-NE2 3.23Å; T1360-Q1362 PolarHBondContact O-N 2.89Å
1363F68.7Low77.9Confident41 Ų4141.5 Ų41.518%0.1821%0.209CC..EExtended strand (participates in β ladder)trans-119.6133.8-178.3-63.8-79.2000109.2K802 E803 N804 D1361 Y1365K802-F1363 HydrophobicContact CD-CD1 3.98Å; K802-F1363 HydrophobicContact CD-CD2 4.49Å; K802-F1363 HydrophobicContact CD-CE1 4.18Å; K802-F1363 HydrophobicContact CD-CG 4.13Å; K802-F1363 VanDerWaalsContact CE-CD1 3.4Å; K802-F1363 VanDerWaalsContact CE-CE1 3.45Å; K802-F1363 HydrophobicContact CG-CB 3.95Å; K802-F1363 HydrophobicContact CG-CD1 3.42Å; K802-F1363 VanDerWaalsContact CG-CD1 3.42Å; K802-F1363 HydrophobicContact CG-CE1 4.01Å; K802-F1363 HydrophobicContact CG-CG 3.72Å; E803-F1363 CarbonylContact O-C 3.37Å; E803-F1363 WeakPolarHBondContact O-CA 3.49Å; N804-F1363 HydrophobicContact CB-CD1 4.47Å; N804-F1363 HydrophobicContact CB-CE1 4.32Å; D1361-F1363 HydrophobicContact CB-CD2 4.21Å; D1361-F1363 HydrophobicContact CB-CE1 4.12Å; D1361-F1363 HydrophobicContact CB-CE2 3.35Å; D1361-F1363 HydrophobicContact CB-CZ 3.3Å; D1361-F1363 WeakPolarHBondContact O-CD2 3.38Å; D1361-F1363 WeakPolarHBondContact O-CE2 3.31Å; F1363-Y1365 HydrophobicContact CB-CD2 4.29Å; F1363-Y1365 HydrophobicContact CB-CE1 4.08Å; F1363-Y1365 HydrophobicContact CB-CE2 3.67Å
1364N71.9Confident77.7Confident71 Ų7137.1 Ų37.138%0.3819%0.19SC..EExtended strand (participates in β ladder)trans-88.2132.9158.1-67.5-14.3000106.5E803 L1430E803-N1364 PolarHBondContact N-O 3.23Å; E803-N1364 PolarHBondContact O-N 3.32Å; N1364-L1430 WeakPolarHBondContact CA-O 3.49Å
1365Y77.4Confident77.5Confident3 Ų340.5 Ų40.51%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-110.6127.3176-52.6-97000108.9V800 A801 K802 F1363 I1394 V1409 E1429 L1430V800-Y1365 HydrophobicContact CG1-CD1 4.32Å; A801-Y1365 CarbonylContact O-C 3.55Å; A801-Y1365 VanDerWaalsContact O-CA 3.24Å; A801-Y1365 WeakPolarHBondContact O-CA 3.17Å; K802-Y1365 HydrophobicContact CB-CD1 3.98Å; K802-Y1365 HydrophobicContact CB-CE1 4.08Å; K802-Y1365 HydrophobicContact CD-CE1 3.8Å; K802-Y1365 HydrophobicContact CG-CD1 3.97Å; K802-Y1365 HydrophobicContact CG-CE1 3.6Å; F1363-Y1365 HydrophobicContact CB-CD2 4.29Å; F1363-Y1365 HydrophobicContact CB-CE1 4.08Å; F1363-Y1365 HydrophobicContact CB-CE2 3.67Å; Y1365-I1394 HydrophobicContact CD1-CD1 3.92Å; Y1365-I1394 HydrophobicContact CE1-CD1 3.46Å; Y1365-I1394 VanDerWaalsContact CE1-CD1 3.46Å; Y1365-V1409 HydrophobicContact CD2-CG1 4.01Å; Y1365-V1409 HydrophobicContact CE2-CG1 3.93Å; Y1365-E1429 CarbonylContact O-C 3.53Å; Y1365-E1429 WeakPolarHBondContact O-CA 3.5Å; Y1365-L1430 PolarHBondContact N-O 3.11Å; Y1365-L1430 WeakPolarHBondContact O-CB 3.41Å; Y1365-L1430 PolarHBondContact O-N 3.26Å
1366S78.6Confident77.1Confident45 Ų4547.3 Ų47.332%0.31524%0.238SC..EExtended strand (participates in β ladder)trans-101.8121.1165.3179.80000108V800 A801 I1428V800-S1366 CarbonylContact C-O 3.56Å; V800-S1366 WeakPolarHBondContact CA-O 3.19Å; A801-S1366 PolarHBondContact N-O 2.95Å; A801-S1366 PolarHBondContact O-N 3.44Å; S1366-I1428 WeakPolarHBondContact CA-O 3.42Å
1367V81.6Confident77.1Confident0 Ų049 Ų490%025%0.245CC..EExtended strand (participates in β ladder)trans-126128.3-169179.20000109.6L797 S799 V800 F1369 I1392 E1427 I1428 L1430L797-V1367 HydrophobicContact CD1-CG1 4.09Å; L797-V1367 HydrophobicContact CD2-CG1 3.33Å; L797-V1367 HydrophobicContact CG-CG1 4.16Å; S799-V1367 WeakPolarHBondContact O-CA 3.42Å; V800-V1367 HydrophobicContact CG1-CG2 4.29Å; V800-V1367 HydrophobicContact CG2-CG1 4.27Å; V800-V1367 HydrophobicContact CG2-CG2 4.25Å; V1367-F1369 HydrophobicContact CG1-CD2 4.34Å; V1367-F1369 HydrophobicContact CG1-CE2 4.13Å; V1367-I1392 HydrophobicContact CG2-CD1 3.89Å; V1367-E1427 CarbonylContact O-C 3.57Å; V1367-E1427 WeakPolarHBondContact O-CA 3.49Å; V1367-I1428 HydrophobicContact CB-CG1 3.92Å; V1367-I1428 PolarHBondContact N-O 3.33Å; V1367-I1428 PolarHBondContact O-N 2.87Å; V1367-L1430 HydrophobicContact CB-CD1 4.36Å; V1367-L1430 HydrophobicContact CG2-CD1 3.7Å
1368K85.9Confident77.3Confident56 Ų5648.8 Ų48.824%0.24325%0.251CS..EExtended strand (participates in β ladder)trans-101.5124.3167.7-61.5-160.6177.9-144.90110.6L797 I798 S799 E1425 E1427L797-K1368 CarbonylContact C-O 3.6Å; L797-K1368 WeakPolarHBondContact CA-O 3.39Å; I798-K1368 HydrophobicContact CB-CB 4.26Å; I798-K1368 PolarHBondContact N-O 2.86Å; S799-K1368 PolarHBondContact N-O 2.85Å; S799-K1368 PolarHBondContact O-N 3.49Å; S799-K1368 WeakPolarHBondContact OG-CB 3.41Å; S799-K1368 WeakPolarHBondContact OG-CG 3.42Å; K1368-E1425 IonicContact NZ-OE1 3.59Å; K1368-E1425 PolarHBondContact NZ-OE1 3.47Å; K1368-E1427 HydrophobicContact CD-CG 4.16Å; K1368-E1427 WeakPolarHBondContact CE-OE1 3.45Å; K1368-E1427 VanDerWaalsContact CE-OE2 3.26Å; K1368-E1427 WeakPolarHBondContact CE-OE2 3.38Å; K1368-E1427 HydrophobicContact CG-CB 4.47Å; K1368-E1427 HydrophobicContact CG-CG 3.88Å; K1368-E1427 VanDerWaalsContact NZ-CD 3.3Å; K1368-E1427 IonicContact NZ-OE1 3.97Å; K1368-E1427 PolarHBondContact NZ-OE1 3.11Å; K1368-E1427 IonicContact NZ-OE2 2.68Å
1369F85.5Confident77.3Confident0 Ų052.8 Ų52.80%027%0.272CS..EExtended strand (participates in β ladder)trans-80.9149.5175.4-82.8-94.5000112.4I789 L797 I798 V1367 R1371 F1373 L1374 F1380 L1384 L1390 V1426 I1428I789-F1369 HydrophobicContact CD1-CE1 3.72Å; I789-F1369 HydrophobicContact CD1-CZ 3.69Å; I789-F1369 HydrophobicContact CG2-CE1 4.45Å; L797-F1369 HydrophobicContact CD2-CD1 3.87Å; L797-F1369 HydrophobicContact CD2-CD2 4.37Å; L797-F1369 HydrophobicContact CD2-CE1 3.76Å; L797-F1369 HydrophobicContact CD2-CE2 4.24Å; L797-F1369 HydrophobicContact CD2-CG 4.2Å; L797-F1369 HydrophobicContact CD2-CZ 3.95Å; I798-F1369 VanDerWaalsContact CD1-O 3.29Å; I798-F1369 WeakPolarHBondContact CD1-O 3.49Å; V1367-F1369 HydrophobicContact CG1-CD2 4.34Å; V1367-F1369 HydrophobicContact CG1-CE2 4.13Å; F1369-R1371 PolarHBondContact O-N 3.18Å; F1369-F1373 HydrophobicContact CD1-CD1 4.2Å; F1369-F1373 HydrophobicContact CD1-CE1 4.43Å; F1369-F1373 HydrophobicContact CE1-CE1 4.39Å; F1369-L1374 HydrophobicContact CB-CD1 3.75Å; F1369-L1374 HydrophobicContact CB-CD2 4.4Å; F1369-L1374 HydrophobicContact CB-CG 4.07Å; F1369-L1374 HydrophobicContact CD1-CD2 4.13Å; F1369-L1374 HydrophobicContact CG-CD1 4.48Å; F1369-L1374 HydrophobicContact CG-CD2 4.36Å; F1369-F1380 HydrophobicContact CD1-CE1 4.33Å; F1369-F1380 AromaticContact CE1-CE1 3.6Å; F1369-F1380 HydrophobicContact CE1-CE1 3.6Å; F1369-F1380 AromaticContact CE1-CZ 3.86Å; F1369-F1380 HydrophobicContact CE1-CZ 3.86Å; F1369-F1380 HydrophobicContact CZ-CE1 4.04Å; F1369-F1380 HydrophobicContact CZ-CZ 4.04Å; F1369-L1384 HydrophobicContact CD2-CD2 4.12Å; F1369-L1384 HydrophobicContact CE2-CD2 3.97Å; F1369-L1384 HydrophobicContact CG-CD2 4.5Å; F1369-L1384 HydrophobicContact CZ-CD2 4.21Å; F1369-L1390 HydrophobicContact CE2-CD1 4.35Å; F1369-L1390 HydrophobicContact CZ-CD1 4.02Å; F1369-V1426 HydrophobicContact CB-CB 4.36Å; F1369-V1426 PolarHBondContact N-O 3.29Å; F1369-I1428 HydrophobicContact CD2-CD1 4.48Å; F1369-I1428 HydrophobicContact CE2-CD1 3.54Å; F1369-I1428 HydrophobicContact CE2-CG1 3.99Å; F1369-I1428 HydrophobicContact CZ-CD1 4.31Å
1370S80.3Confident77.4Confident13 Ų1353.9 Ų53.99%0.09128%0.277CS..PPolyproline II helixtrans-70.2125.6167.3170.10000110.6D795 A796 I1372 F1373 L1374D795-S1370 WeakPolarHBondContact O-CB 3.49Å; D795-S1370 PolarHBondContact O-OG 3.01Å; A796-S1370 WeakPolarHBondContact O-CB 3.38Å; A796-S1370 PolarHBondContact O-N 2.91Å; S1370-I1372 PolarHBondContact O-N 3.04Å; S1370-I1372 PolarHBondContact OG-N 3.2Å; S1370-F1373 PolarHBondContact O-N 3.03Å; S1370-F1373 VanDerWaalsContact O-N 3.15Å; S1370-F1373 PolarHBondContact OG-N 3.46Å; S1370-L1374 PolarHBondContact O-N 2.79Å; S1370-L1374 VanDerWaalsContact O-N 3.14Å
1371R79.2Confident77.8Confident38 Ų3853 Ų5314%0.14327%0.274CS..Hα-helixtrans-59.9-33.9177.5-43-169.5-179.7-169.43.2111.6F1369 Q1375 D1419 D1421 L1423 A1424 E1425F1369-R1371 PolarHBondContact O-N 3.18Å; R1371-Q1375 WeakPolarHBondContact O-CB 3.23Å; R1371-Q1375 PolarHBondContact O-N 3.09Å; R1371-D1419 IonicContact CZ-OD1 2.81Å; R1371-D1419 IonicContact CZ-OD2 3.35Å; R1371-D1419 IonicContact NH1-OD1 3.47Å; R1371-D1419 PolarHBondContact NH1-OD1 3.49Å; R1371-D1419 IonicContact NH1-OD2 3.99Å; R1371-D1419 IonicContact NH2-OD1 3.29Å; R1371-D1419 IonicContact NH2-OD2 3.73Å; R1371-D1419 PolarHBondContact NH2-OD2 3.4Å; R1371-D1421 IonicContact NH1-OD2 3.62Å; R1371-L1423 HydrophobicContact CB-CB 3.64Å; R1371-L1423 HydrophobicContact CB-CD1 4.1Å; R1371-L1423 WeakPolarHBondContact CD-O 3.28Å; R1371-L1423 HydrophobicContact CG-CB 4.5Å; R1371-L1423 PolarHBondContact NH1-O 2.96Å; R1371-A1424 WeakPolarHBondContact CB-O 3.07Å; R1371-A1424 VanDerWaalsContact CG-O 3.31Å; R1371-A1424 WeakPolarHBondContact CG-O 3.31Å; R1371-E1425 IonicContact CZ-OE2 3.28Å; R1371-E1425 IonicContact NE-OE2 2.71Å; R1371-E1425 PolarHBondContact NE-OE2 2.96Å; R1371-E1425 IonicContact NH2-OE2 3.01Å; R1371-E1425 PolarHBondContact NH2-OE2 3.46Å
1372I78.7Confident78.3Confident95 Ų9554.7 Ų54.749%0.48729%0.291SS..Hα-helixtrans-67.7-45.1175.9-61.8173.1000110.8S1370 L1374 Q1375 E1376 L1423S1370-I1372 PolarHBondContact O-N 3.04Å; S1370-I1372 PolarHBondContact OG-N 3.2Å; I1372-L1374 PolarHBondContact O-N 3.15Å; I1372-Q1375 WeakPolarHBondContact O-CB 3.38Å; I1372-Q1375 PolarHBondContact O-N 3.29Å; I1372-E1376 HydrophobicContact CG2-CG 4.29Å; I1372-E1376 WeakPolarHBondContact O-CB 3.32Å; I1372-E1376 WeakPolarHBondContact O-CG 3.48Å; I1372-E1376 PolarHBondContact O-N 3.21Å; I1372-L1423 HydrophobicContact CG1-CD1 4.48Å
1373F80.7Confident79.1Confident37 Ų3757.1 Ų57.116%0.16230%0.3CS..Hα-helixtrans-61.9-43.1179.5174.2-93.8000112D795 A796 F1369 S1370 Q1375 E1376 N1377 F1380D795-F1373 WeakPolarHBondContact O-CB 3.49Å; A796-F1373 HydrophobicContact CB-CB 4.44Å; A796-F1373 HydrophobicContact CB-CD1 4.17Å; A796-F1373 HydrophobicContact CB-CD2 3.68Å; A796-F1373 HydrophobicContact CB-CE1 4.37Å; A796-F1373 HydrophobicContact CB-CE2 3.9Å; A796-F1373 HydrophobicContact CB-CG 3.83Å; A796-F1373 HydrophobicContact CB-CZ 4.25Å; F1369-F1373 HydrophobicContact CD1-CD1 4.2Å; F1369-F1373 HydrophobicContact CD1-CE1 4.43Å; F1369-F1373 HydrophobicContact CE1-CE1 4.39Å; S1370-F1373 PolarHBondContact O-N 3.03Å; S1370-F1373 VanDerWaalsContact O-N 3.15Å; S1370-F1373 PolarHBondContact OG-N 3.46Å; F1373-Q1375 VanDerWaalsContact C-N 3.33Å; F1373-Q1375 PolarHBondContact O-N 3.18Å; F1373-E1376 PolarHBondContact O-N 3.12Å; F1373-N1377 VanDerWaalsContact CD2-ND2 3.31Å; F1373-N1377 WeakPolarHBondContact CD2-ND2 3.29Å; F1373-N1377 HydrophobicContact CE1-CB 4.47Å; F1373-N1377 WeakPolarHBondContact CE2-ND2 3.4Å; F1373-N1377 HydrophobicContact CZ-CB 4.38Å; F1373-N1377 VanDerWaalsContact O-CB 3.32Å; F1373-N1377 WeakPolarHBondContact O-CB 3.32Å; F1373-N1377 PolarHBondContact O-N 3.41Å; F1373-N1377 PolarHBondContact O-ND2 2.91Å; F1373-F1380 AromaticContact CE1-CD1 3.78Å; F1373-F1380 HydrophobicContact CE1-CD1 3.78Å; F1373-F1380 AromaticContact CE1-CE1 3.93Å; F1373-F1380 HydrophobicContact CE1-CE1 3.93Å; F1373-F1380 HydrophobicContact CE1-CG 4.27Å
1374L82Confident79.8Confident16 Ų1655.3 Ų55.38%0.08429%0.292CS..Hα-helixtrans-64.6-38.1177.6-66.6173.6000112F1369 S1370 I1372 N1377 F1380 A1381 L1384 V1426F1369-L1374 HydrophobicContact CB-CD1 3.75Å; F1369-L1374 HydrophobicContact CB-CD2 4.4Å; F1369-L1374 HydrophobicContact CB-CG 4.07Å; F1369-L1374 HydrophobicContact CD1-CD2 4.13Å; F1369-L1374 HydrophobicContact CG-CD1 4.48Å; F1369-L1374 HydrophobicContact CG-CD2 4.36Å; S1370-L1374 PolarHBondContact O-N 2.79Å; S1370-L1374 VanDerWaalsContact O-N 3.14Å; I1372-L1374 PolarHBondContact O-N 3.15Å; L1374-N1377 CarbonylContact O-C 3.27Å; L1374-N1377 PolarHBondContact O-N 3.09Å; L1374-F1380 HydrophobicContact CD2-CD1 4.12Å; L1374-F1380 HydrophobicContact CD2-CE1 4.26Å; L1374-A1381 HydrophobicContact CB-CB 4.2Å; L1374-A1381 HydrophobicContact CD2-CB 3.94Å; L1374-L1384 HydrophobicContact CD2-CD2 4.1Å; L1374-V1426 HydrophobicContact CD1-CB 3.73Å; L1374-V1426 HydrophobicContact CD1-CG2 3.35Å
1375Q77Confident80.4Confident130 Ų13053.5 Ų53.561%0.60728%0.283SS*.Hα-helixtrans-64.8-41174.2-169.195-12.400112.2R1371 I1372 F1373 N1377 L1423R1371-Q1375 WeakPolarHBondContact O-CB 3.23Å; R1371-Q1375 PolarHBondContact O-N 3.09Å; I1372-Q1375 WeakPolarHBondContact O-CB 3.38Å; I1372-Q1375 PolarHBondContact O-N 3.29Å; F1373-Q1375 VanDerWaalsContact C-N 3.33Å; F1373-Q1375 PolarHBondContact O-N 3.18Å; Q1375-N1377 VanDerWaalsContact C-N 3.34Å; Q1375-L1423 HydrophobicContact CB-CD2 4.39Å; Q1375-L1423 HydrophobicContact CG-CD2 4.12Å
1376E79.2Confident80.5Confident144 Ų14454.7 Ų54.767%0.67329%0.289SS*.Hα-helixtrans-78-18.4179.5-70.6-175.8164.900113.1I1372 F1373 P1378I1372-E1376 HydrophobicContact CG2-CG 4.29Å; I1372-E1376 WeakPolarHBondContact O-CB 3.32Å; I1372-E1376 WeakPolarHBondContact O-CG 3.48Å; I1372-E1376 PolarHBondContact O-N 3.21Å; F1373-E1376 PolarHBondContact O-N 3.12Å; E1376-P1378 WeakPolarHBondContact O-CD 3.27Å
1377N81.6Confident80.7Confident61 Ų6153.1 Ų53.133%0.32628%0.276SS..  trans-12462.3-178.9-59.8-90.2000111.6F1373 L1374 Q1375 D1379 F1380 A1381F1373-N1377 VanDerWaalsContact CD2-ND2 3.31Å; F1373-N1377 WeakPolarHBondContact CD2-ND2 3.29Å; F1373-N1377 HydrophobicContact CE1-CB 4.47Å; F1373-N1377 WeakPolarHBondContact CE2-ND2 3.4Å; F1373-N1377 HydrophobicContact CZ-CB 4.38Å; F1373-N1377 VanDerWaalsContact O-CB 3.32Å; F1373-N1377 WeakPolarHBondContact O-CB 3.32Å; F1373-N1377 PolarHBondContact O-N 3.41Å; F1373-N1377 PolarHBondContact O-ND2 2.91Å; L1374-N1377 CarbonylContact O-C 3.27Å; L1374-N1377 PolarHBondContact O-N 3.09Å; Q1375-N1377 VanDerWaalsContact C-N 3.34Å; N1377-D1379 PolarHBondContact O-N 3.38Å; N1377-F1380 HydrophobicContact CB-CB 3.97Å; N1377-F1380 WeakPolarHBondContact O-CA 3.23Å; N1377-F1380 WeakPolarHBondContact O-CB 3.42Å; N1377-F1380 PolarHBondContact O-N 3.48Å; N1377-A1381 PolarHBondContact O-N 3.22Å
1378P77.7Confident80.8Confident79 Ų7953.1 Ų53.151%0.51328%0.276SS..Hα-helixtrans-62.4-28.8-175.724.6-33.9000113.3E1376 F1380 A1381 S1382E1376-P1378 WeakPolarHBondContact O-CD 3.27Å; P1378-F1380 VanDerWaalsContact C-N 3.33Å; P1378-A1381 PolarHBondContact O-N 2.89Å; P1378-S1382 VanDerWaalsContact O-CB 3.28Å; P1378-S1382 WeakPolarHBondContact O-CB 3.47Å; P1378-S1382 PolarHBondContact O-N 3.26Å; P1378-S1382 PolarHBondContact O-OG 2.97Å
1379D77.2Confident80.6Confident128 Ų12852.3 Ų52.368%0.68427%0.273SS*.Hα-helixtrans-67.8-32.2173.8-76.6-9.5000112.7N1377 S1382 K1383N1377-D1379 PolarHBondContact O-N 3.38Å; D1379-S1382 PolarHBondContact O-OG 3.12Å; D1379-K1383 WeakPolarHBondContact O-CD 3.46Å; D1379-K1383 WeakPolarHBondContact O-CG 3.45Å
1380F80.7Confident80.5Confident24 Ų2452.3 Ų52.311%0.10527%0.273CS..Hα-helixtrans-75.9-48.2173177.3-85.4000109.8L784 I789 F1369 F1373 L1374 N1377 P1378 S1382 K1383 L1384 L1390L784-F1380 HydrophobicContact CB-CD2 4.26Å; L784-F1380 HydrophobicContact CB-CE2 3.84Å; L784-F1380 HydrophobicContact CD1-CD2 3.99Å; L784-F1380 HydrophobicContact CD1-CE2 3.73Å; L784-F1380 HydrophobicContact CD1-CZ 4.05Å; L784-F1380 HydrophobicContact CD2-CD2 3.99Å; L784-F1380 HydrophobicContact CD2-CE2 4.37Å; L784-F1380 HydrophobicContact CG-CD2 4.31Å; L784-F1380 HydrophobicContact CG-CE2 4.19Å; I789-F1380 HydrophobicContact CD1-CE1 4.44Å; I789-F1380 HydrophobicContact CD1-CE2 3.89Å; I789-F1380 HydrophobicContact CD1-CZ 3.45Å; I789-F1380 VanDerWaalsContact CD1-CZ 3.45Å; F1369-F1380 HydrophobicContact CD1-CE1 4.33Å; F1369-F1380 AromaticContact CE1-CE1 3.6Å; F1369-F1380 HydrophobicContact CE1-CE1 3.6Å; F1369-F1380 AromaticContact CE1-CZ 3.86Å; F1369-F1380 HydrophobicContact CE1-CZ 3.86Å; F1369-F1380 HydrophobicContact CZ-CE1 4.04Å; F1369-F1380 HydrophobicContact CZ-CZ 4.04Å; F1373-F1380 AromaticContact CE1-CD1 3.78Å; F1373-F1380 HydrophobicContact CE1-CD1 3.78Å; F1373-F1380 AromaticContact CE1-CE1 3.93Å; F1373-F1380 HydrophobicContact CE1-CE1 3.93Å; F1373-F1380 HydrophobicContact CE1-CG 4.27Å; L1374-F1380 HydrophobicContact CD2-CD1 4.12Å; L1374-F1380 HydrophobicContact CD2-CE1 4.26Å; N1377-F1380 HydrophobicContact CB-CB 3.97Å; N1377-F1380 WeakPolarHBondContact O-CA 3.23Å; N1377-F1380 WeakPolarHBondContact O-CB 3.42Å; N1377-F1380 PolarHBondContact O-N 3.48Å; P1378-F1380 VanDerWaalsContact C-N 3.33Å; F1380-S1382 PolarHBondContact O-N 3.33Å; F1380-K1383 PolarHBondContact O-N 3.12Å; F1380-K1383 VanDerWaalsContact O-N 3.14Å; F1380-L1384 HydrophobicContact CE1-CB 4.41Å; F1380-L1384 HydrophobicContact CE1-CD1 4.4Å; F1380-L1384 HydrophobicContact CE1-CD2 4.07Å; F1380-L1384 HydrophobicContact CZ-CD1 4.45Å; F1380-L1384 PolarHBondContact O-N 3.48Å; F1380-L1384 VanDerWaalsContact O-N 3.1Å; F1380-L1390 HydrophobicContact CE2-CD2 4.13Å; F1380-L1390 HydrophobicContact CZ-CD2 3.84Å
1381A78.5Confident80.5Confident29 Ų2951.8 Ų51.824%0.2427%0.27CS..Hα-helixtrans-60.3-41.2-178.700000112.7L1374 N1377 P1378 K1383 L1384L1374-A1381 HydrophobicContact CB-CB 4.2Å; L1374-A1381 HydrophobicContact CD2-CB 3.94Å; N1377-A1381 PolarHBondContact O-N 3.22Å; P1378-A1381 PolarHBondContact O-N 2.89Å; A1381-K1383 PolarHBondContact O-N 2.88Å; A1381-L1384 PolarHBondContact O-N 3.34Å
1382S76.8Confident80.5Confident89 Ų8950.1 Ų50.162%0.62226%0.263SS*.THydrogen-bonded Turntrans-68.1-18178.255.80000114.5P1378 D1379 F1380P1378-S1382 VanDerWaalsContact O-CB 3.28Å; P1378-S1382 WeakPolarHBondContact O-CB 3.47Å; P1378-S1382 PolarHBondContact O-N 3.26Å; P1378-S1382 PolarHBondContact O-OG 2.97Å; D1379-S1382 PolarHBondContact O-OG 3.12Å; F1380-S1382 PolarHBondContact O-N 3.33Å
1383K82.1Confident80.5Confident100 Ų10046.9 Ų46.944%0.43525%0.246SC..THydrogen-bonded Turntrans-100.1-10.8176.3-71.8177-175.4171.60113H782 L784 D1379 F1380 A1381 N1385H782-K1383 HydrophobicContact CB-CB 4.15Å; H782-K1383 WeakPolarHBondContact CB-O 3.26Å; H782-K1383 PolarHBondContact CD2-O 2.92Å; L784-K1383 HydrophobicContact CD1-CB 4.25Å; L784-K1383 HydrophobicContact CD2-CB 3.87Å; L784-K1383 HydrophobicContact CD2-CD 3.96Å; L784-K1383 HydrophobicContact CG-CB 4.43Å; D1379-K1383 WeakPolarHBondContact O-CD 3.46Å; D1379-K1383 WeakPolarHBondContact O-CG 3.45Å; F1380-K1383 PolarHBondContact O-N 3.12Å; F1380-K1383 VanDerWaalsContact O-N 3.14Å; A1381-K1383 PolarHBondContact O-N 2.88Å; K1383-N1385 PolarHBondContact O-N 3.42Å
1384L83.8Confident80Confident3 Ų346.3 Ų46.32%0.01624%0.244CC..  trans-83.9102.8179.3-176.771.3000109.3L784 F1369 L1374 F1380 A1381 A1388 L1390 Y1414 V1426 I1428L784-L1384 HydrophobicContact CD1-CB 4.43Å; L784-L1384 HydrophobicContact CD1-CD1 4.43Å; F1369-L1384 HydrophobicContact CD2-CD2 4.12Å; F1369-L1384 HydrophobicContact CE2-CD2 3.97Å; F1369-L1384 HydrophobicContact CG-CD2 4.5Å; F1369-L1384 HydrophobicContact CZ-CD2 4.21Å; L1374-L1384 HydrophobicContact CD2-CD2 4.1Å; F1380-L1384 HydrophobicContact CE1-CB 4.41Å; F1380-L1384 HydrophobicContact CE1-CD1 4.4Å; F1380-L1384 HydrophobicContact CE1-CD2 4.07Å; F1380-L1384 HydrophobicContact CZ-CD1 4.45Å; F1380-L1384 PolarHBondContact O-N 3.48Å; F1380-L1384 VanDerWaalsContact O-N 3.1Å; A1381-L1384 PolarHBondContact O-N 3.34Å; L1384-A1388 HydrophobicContact CD1-CB 4.32Å; L1384-L1390 HydrophobicContact CD1-CD1 4.03Å; L1384-L1390 HydrophobicContact CD1-CD2 3.97Å; L1384-L1390 HydrophobicContact CD1-CG 4.45Å; L1384-Y1414 HydrophobicContact CD2-CE2 4.46Å; L1384-Y1414 HydrophobicContact CG-CE2 4.05Å; L1384-Y1414 WeakPolarHBondContact O-CE2 3.41Å; L1384-Y1414 PolarHBondContact O-OH 3.09Å; L1384-V1426 HydrophobicContact CD2-CG1 3.89Å; L1384-I1428 HydrophobicContact CD1-CD1 4.42Å
1385N83.7Confident79.4Confident34 Ų3451.2 Ų51.218%0.18227%0.267CS..SBendtrans-146.6-173.5175.861.323.1000109.7H782 K1383 N1387 A1388H782-N1385 PolarHBondContact CD2-ND2 2.82Å; H782-N1385 VanDerWaalsContact CD2-ND2 3.31Å; H782-N1385 PolarHBondContact CD2-OD1 3.36Å; H782-N1385 VanDerWaalsContact CD2-OD1 3.3Å; H782-N1385 PolarHBondContact NE2-ND2 2.86Å; K1383-N1385 PolarHBondContact O-N 3.42Å; N1385-N1387 PolarHBondContact O-N 3.46Å; N1385-N1387 VanDerWaalsContact OD1-CA 3.3Å; N1385-N1387 WeakPolarHBondContact OD1-CA 3.45Å; N1385-N1387 WeakPolarHBondContact OD1-CB 3.48Å; N1385-N1387 PolarHBondContact OD1-N 3.26Å; N1385-A1388 WeakPolarHBondContact O-CB 3.32Å; N1385-A1388 PolarHBondContact O-N 3.41Å; N1385-A1388 VanDerWaalsContact O-N 3.08Å; N1385-A1388 PolarHBondContact OD1-N 3.3Å
1386E80.4Confident79Confident28 Ų2847.8 Ų47.813%0.13127%0.266CS..THydrogen-bonded Turntrans-60-11177.373.3-76.9-17800114R608R608-E1386 HydrophobicContact CB-CB 4.34Å; R608-E1386 WeakPolarHBondContact CB-O 3.29Å; R608-E1386 WeakPolarHBondContact CD-O 3.32Å; R608-E1386 WeakPolarHBondContact CG-O 3.13Å; R608-E1386 PolarHBondContact NE-O 3.12Å
1387N81.7Confident78.4Confident11 Ų1142.9 Ų42.96%0.05925%0.245CC..THydrogen-bonded Turntrans-103.18.6178.6-64.8-53.8000114.6R608 V780 Q781 H782 N1385R608-N1387 PolarHBondContact NE-OD1 3.18Å; R608-N1387 VanDerWaalsContact NE-OD1 3.11Å; R608-N1387 VanDerWaalsContact NH2-CA 3.31Å; R608-N1387 PolarHBondContact NH2-O 3.5Å; V780-N1387 HydrophobicContact CG1-CB 4.47Å; Q781-N1387 WeakPolarHBondContact CA-O 3.46Å; H782-N1387 PolarHBondContact N-O 3Å; N1385-N1387 PolarHBondContact O-N 3.46Å; N1385-N1387 VanDerWaalsContact OD1-CA 3.3Å; N1385-N1387 WeakPolarHBondContact OD1-CA 3.45Å; N1385-N1387 WeakPolarHBondContact OD1-CB 3.48Å; N1385-N1387 PolarHBondContact OD1-N 3.26Å
1388A83.6Confident77.5Confident0 Ų045.6 Ų45.60%025%0.251CS..EExtended strand (participates in β ladder)trans-84.9155.1-177.500000114.6H782 L784 L1384 N1385 V1411H782-A1388 HydrophobicContact CB-CB 4.45Å; H782-A1388 WeakPolarHBondContact O-CA 3.4Å; L784-A1388 HydrophobicContact CD1-CB 4.22Å; L1384-A1388 HydrophobicContact CD1-CB 4.32Å; N1385-A1388 WeakPolarHBondContact O-CB 3.32Å; N1385-A1388 PolarHBondContact O-N 3.41Å; N1385-A1388 VanDerWaalsContact O-N 3.08Å; N1385-A1388 PolarHBondContact OD1-N 3.3Å; A1388-V1411 HydrophobicContact CB-CG2 3.93Å; A1388-V1411 PolarHBondContact O-N 3.2Å; A1388-V1411 VanDerWaalsContact O-N 3.08Å
1389K82.1Confident76.6Confident39 Ų3944.8 Ų44.817%0.1724%0.242CC..EExtended strand (participates in β ladder)trans-118.4129.2169.3-155.9-173-176.7170.90110Q781 H782 L784 T785 V1409 F1410Q781-K1389 HydrophobicContact CG-CB 4.11Å; Q781-K1389 VanDerWaalsContact NE2-CB 3.25Å; H782-K1389 PolarHBondContact O-N 3.19Å; L784-K1389 CarbonylContact C-O 3.48Å; L784-K1389 WeakPolarHBondContact CA-O 3.46Å; L784-K1389 WeakPolarHBondContact CB-O 3.46Å; L784-K1389 PolarHBondContact N-O 3.02Å; T785-K1389 HydrophobicContact CG2-CB 4.24Å; T785-K1389 HydrophobicContact CG2-CD 3.81Å; T785-K1389 HydrophobicContact CG2-CG 3.87Å; K1389-V1409 WeakPolarHBondContact CA-O 3.29Å; K1389-F1410 HydrophobicContact CD-CE1 4.45Å; K1389-F1410 HydrophobicContact CG-CD1 4.26Å; K1389-F1410 HydrophobicContact CG-CE1 4.39Å
1390L83.8Confident75.9Confident0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-119156.5-178-56.3-177.4000111.6L784 I789 F1369 F1380 L1384 K1408 V1409 I1428 L1430L784-L1390 HydrophobicContact CB-CD2 3.84Å; L784-L1390 HydrophobicContact CD1-CD2 3.77Å; L784-L1390 HydrophobicContact CG-CD2 4.4Å; I789-L1390 HydrophobicContact CD1-CD1 4.37Å; I789-L1390 HydrophobicContact CD1-CD2 4.24Å; F1369-L1390 HydrophobicContact CE2-CD1 4.35Å; F1369-L1390 HydrophobicContact CZ-CD1 4.02Å; F1380-L1390 HydrophobicContact CE2-CD2 4.13Å; F1380-L1390 HydrophobicContact CZ-CD2 3.84Å; L1384-L1390 HydrophobicContact CD1-CD1 4.03Å; L1384-L1390 HydrophobicContact CD1-CD2 3.97Å; L1384-L1390 HydrophobicContact CD1-CG 4.45Å; L1390-K1408 CarbonylContact O-C 3.56Å; L1390-K1408 WeakPolarHBondContact O-CA 3.3Å; L1390-V1409 HydrophobicContact CB-CG2 4.25Å; L1390-V1409 PolarHBondContact N-O 2.97Å; L1390-V1409 PolarHBondContact O-N 3.4Å; L1390-I1428 HydrophobicContact CD1-CD1 3.26Å; L1390-L1430 HydrophobicContact CD1-CD1 4.18Å; L1390-L1430 HydrophobicContact CD1-CD2 4Å; L1390-L1430 HydrophobicContact CG-CD2 4.43Å
1391S80.2Confident75.2Confident3 Ų352.8 Ų52.82%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-115.6120166.9-178.30000108.9P788 I789 H1407P788-S1391 CarbonylContact C-O 3.53Å; P788-S1391 WeakPolarHBondContact CA-O 3.38Å; I789-S1391 PolarHBondContact N-O 3.26Å; S1391-H1407 CarbonylContact C-O 3.44Å; S1391-H1407 WeakPolarHBondContact CA-O 3.32Å
1392I79.5Confident74.6Confident2 Ų253.6 Ų53.61%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-111.2137.1-178.8-58.3-176.4000110.8I789 L797 V1367 I1394 H1407 V1409 L1430I789-I1392 WeakPolarHBondContact O-CA 3.23Å; L797-I1392 HydrophobicContact CD1-CG2 4.48Å; V1367-I1392 HydrophobicContact CG2-CD1 3.89Å; I1392-I1394 HydrophobicContact CG2-CG1 3.88Å; I1392-H1407 PolarHBondContact N-O 3.25Å; I1392-H1407 PolarHBondContact O-N 3.24Å; I1392-V1409 HydrophobicContact CD1-CG2 4.03Å; I1392-V1409 HydrophobicContact CG1-CG2 4.15Å; I1392-L1430 HydrophobicContact CD1-CD1 3.2Å; I1392-L1430 HydrophobicContact CG1-CD1 4.37Å
1393Q77.4Confident74.4Confident27 Ų2753.8 Ų53.813%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-118.4115.9171.2-74.5-175-18.700110P788 I789 K790 Y791 L1404 S1406P788-Q1393 HydrophobicContact CB-CG 4.01Å; I789-Q1393 PolarHBondContact O-N 3.27Å; K790-Q1393 WeakPolarHBondContact CA-O 3.36Å; K790-Q1393 HydrophobicContact CG-CB 3.84Å; Y791-Q1393 PolarHBondContact N-O 3.08Å; Y791-Q1393 VanDerWaalsContact N-O 3.11Å; Q1393-L1404 HydrophobicContact CB-CB 4.25Å; Q1393-L1404 HydrophobicContact CG-CB 4.32Å; Q1393-L1404 PolarHBondContact NE2-O 3.31Å; Q1393-S1406 WeakPolarHBondContact CG-OG 3.17Å; Q1393-S1406 PolarHBondContact NE2-OG 2.98Å
1394I71.5Confident73.7Confident25 Ų2551.1 Ų51.113%0.12828%0.282CS..EExtended strand (participates in β ladder)trans-101.1127.8-176.9-57.2177.8000109.6V800 K802 Y1365 I1392 G1396 D1397 L1404V800-I1394 HydrophobicContact CG1-CD1 4.13Å; K802-I1394 HydrophobicContact CD-CD1 4.23Å; Y1365-I1394 HydrophobicContact CD1-CD1 3.92Å; Y1365-I1394 HydrophobicContact CE1-CD1 3.46Å; Y1365-I1394 VanDerWaalsContact CE1-CD1 3.46Å; I1392-I1394 HydrophobicContact CG2-CG1 3.88Å; I1394-G1396 PolarHBondContact O-N 2.71Å; I1394-D1397 HydrophobicContact CB-CB 4.47Å; I1394-D1397 WeakPolarHBondContact O-CB 3.29Å; I1394-D1397 PolarHBondContact O-N 2.83Å; I1394-L1404 WeakPolarHBondContact O-CD2 3.43Å
1395Q69.6Low73.1Confident120 Ų12053.8 Ų53.856%0.56130%0.296SS*.EExtended strand (participates in β ladder)trans-62.8122.1179.3-150170.817.800110.4
1396G67.1Low72.5Confident57 Ų5754.8 Ų54.859%0.58831%0.305SS*.EExtended strand (participates in β ladder)trans109-20.2-172.500000114.4I1394 Y1398I1394-G1396 PolarHBondContact O-N 2.71Å; G1396-Y1398 WeakPolarHBondContact O-CD2 3.25Å; G1396-Y1398 PolarHBondContact O-N 3.4Å
1397D66.8Low72.2Confident42 Ų4255.4 Ų55.423%0.22531%0.308CS..EExtended strand (participates in β ladder)trans-9488.4178.4-125-5.3000109.2K802 I1394 L1404 I1405 H1407K802-D1397 IonicContact NZ-OD2 2.71Å; K802-D1397 PolarHBondContact NZ-OD2 3.48Å; I1394-D1397 HydrophobicContact CB-CB 4.47Å; I1394-D1397 WeakPolarHBondContact O-CB 3.29Å; I1394-D1397 PolarHBondContact O-N 2.83Å; D1397-L1404 WeakPolarHBondContact O-CA 3.44Å; D1397-I1405 PolarHBondContact O-N 3.35Å; D1397-H1407 IonicContact OD2-CE1 3.35Å; D1397-H1407 IonicContact OD2-NE2 3.76Å; D1397-H1407 PolarHBondContact OD2-NE2 2.96Å; D1397-H1407 VanDerWaalsContact OD2-NE2 3.08Å
1398Y63.4Low72Confident118 Ų11860.9 Ų60.946%0.46333%0.332SS..EExtended strand (participates in β ladder)trans-108.1143.1-175.7-62.4-83.8000112.3G1396 G1402 N1403 L1404G1396-Y1398 WeakPolarHBondContact O-CD2 3.25Å; G1396-Y1398 PolarHBondContact O-N 3.4Å; Y1398-G1402 VanDerWaalsContact CD1-O 3.23Å; Y1398-G1402 WeakPolarHBondContact CD1-O 3.46Å; Y1398-N1403 CarbonylContact C-O 3.58Å; Y1398-N1403 VanDerWaalsContact CA-O 3.22Å; Y1398-N1403 WeakPolarHBondContact CA-O 3.33Å; Y1398-L1404 HydrophobicContact CD1-CD2 3.85Å; Y1398-L1404 HydrophobicContact CD1-CG 4.21Å; Y1398-L1404 HydrophobicContact CE1-CD2 3.48Å; Y1398-L1404 VanDerWaalsContact CE1-CD2 3.48Å; Y1398-L1404 HydrophobicContact CE1-CG 3.86Å; Y1398-L1404 HydrophobicContact CE2-CD2 4.38Å; Y1398-L1404 HydrophobicContact CG-CD2 4.44Å
1399D59.5Low71.9Confident61 Ų6160.9 Ų60.933%0.32633%0.332SS..  trans-71.2174.216670.316.4000111.3D1401 G1402 N1403 I1405D1399-D1401 PolarHBondContact O-N 2.84Å; D1399-D1401 VanDerWaalsContact O-N 3.11Å; D1399-D1401 WeakPolarHBondContact OD1-CA 3.26Å; D1399-D1401 PolarHBondContact OD1-N 3.4Å; D1399-G1402 PolarHBondContact O-N 3.41Å; D1399-G1402 PolarHBondContact OD1-N 3.25Å; D1399-N1403 PolarHBondContact N-O 3.45Å; D1399-N1403 PolarHBondContact OD1-N 3.5Å; D1399-N1403 WeakPolarHBondContact OD2-CB 3.35Å; D1399-N1403 PolarHBondContact OD2-ND2 2.85Å; D1399-I1405 HydrophobicContact CB-CG1 4.15Å
1400N61.7Low71.9Confident177 Ų17760.6 Ų60.695%0.94733%0.33SS*.THydrogen-bonded Turntrans-62.2-18.8-179-69.7-32.6000113.7
1401D66.7Low71.9Confident143 Ų14360.6 Ų60.677%0.76533%0.33SS*.THydrogen-bonded Turntrans-93.7-0.9178.3-67.5-37.8000112.4D1399D1399-D1401 PolarHBondContact O-N 2.84Å; D1399-D1401 VanDerWaalsContact O-N 3.11Å; D1399-D1401 WeakPolarHBondContact OD1-CA 3.26Å; D1399-D1401 PolarHBondContact OD1-N 3.4Å
1402G66Low71.9Confident47 Ų4761.9 Ų61.949%0.48534%0.339SS..SBendtrans84.416179.400000114.7Y1398 D1399Y1398-G1402 VanDerWaalsContact CD1-O 3.23Å; Y1398-G1402 WeakPolarHBondContact CD1-O 3.46Å; D1399-G1402 PolarHBondContact O-N 3.41Å; D1399-G1402 PolarHBondContact OD1-N 3.25Å
1403N72.5Confident72.2Confident93 Ų9363 Ų6350%0.49735%0.345SS..PPolyproline II helixtrans-91.9148.4173.5-48.5-63.7000111Y1398 D1399 I1405Y1398-N1403 CarbonylContact C-O 3.58Å; Y1398-N1403 VanDerWaalsContact CA-O 3.22Å; Y1398-N1403 WeakPolarHBondContact CA-O 3.33Å; D1399-N1403 PolarHBondContact N-O 3.45Å; D1399-N1403 PolarHBondContact OD1-N 3.5Å; D1399-N1403 WeakPolarHBondContact OD2-CB 3.35Å; D1399-N1403 PolarHBondContact OD2-ND2 2.85Å; N1403-I1405 PolarHBondContact O-N 3.42Å
1404L67.3Low72.7Confident43 Ų4362.8 Ų62.823%0.22534%0.344CS..EExtended strand (participates in β ladder)trans-67.7130.5176.7-69.9169.4000111.2Q1393 I1394 D1397 Y1398Q1393-L1404 HydrophobicContact CB-CB 4.25Å; Q1393-L1404 HydrophobicContact CG-CB 4.32Å; Q1393-L1404 PolarHBondContact NE2-O 3.31Å; I1394-L1404 WeakPolarHBondContact O-CD2 3.43Å; D1397-L1404 WeakPolarHBondContact O-CA 3.44Å; Y1398-L1404 HydrophobicContact CD1-CD2 3.85Å; Y1398-L1404 HydrophobicContact CD1-CG 4.21Å; Y1398-L1404 HydrophobicContact CE1-CD2 3.48Å; Y1398-L1404 VanDerWaalsContact CE1-CD2 3.48Å; Y1398-L1404 HydrophobicContact CE1-CG 3.86Å; Y1398-L1404 HydrophobicContact CE2-CD2 4.38Å; Y1398-L1404 HydrophobicContact CG-CD2 4.44Å
1405I70.3Confident73.5Confident59 Ų5962.4 Ų62.430%0.30334%0.343SS..EExtended strand (participates in β ladder)trans-72129.1177.8-59.7170.9000109.3D1397 D1399 N1403D1397-I1405 PolarHBondContact O-N 3.35Å; D1399-I1405 HydrophobicContact CB-CG1 4.15Å; N1403-I1405 PolarHBondContact O-N 3.42Å
1406S72.2Confident74.3Confident55 Ų5557 Ų5739%0.38532%0.318SS..EExtended strand (participates in β ladder)trans-91.6114.6173.7-760000111.2Q1393Q1393-S1406 WeakPolarHBondContact CG-OG 3.17Å; Q1393-S1406 PolarHBondContact NE2-OG 2.98Å
1407H73.8Confident75.3Confident42 Ų4258 Ų5819%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-94.9115.6176.5-61.4-69.1000110.3S1391 I1392 D1397S1391-H1407 CarbonylContact C-O 3.44Å; S1391-H1407 WeakPolarHBondContact CA-O 3.32Å; I1392-H1407 PolarHBondContact N-O 3.25Å; I1392-H1407 PolarHBondContact O-N 3.24Å; D1397-H1407 IonicContact OD2-CE1 3.35Å; D1397-H1407 IonicContact OD2-NE2 3.76Å; D1397-H1407 PolarHBondContact OD2-NE2 2.96Å; D1397-H1407 VanDerWaalsContact OD2-NE2 3.08Å
1408K77.8Confident75.9Confident126 Ų12657.5 Ų57.555%0.54831%0.305SS..EExtended strand (participates in β ladder)trans-86.7117.5176-66.8-175.7-177.2-174.60109.7T785 L1390T785-K1408 HydrophobicContact CG2-CD 4.47Å; T785-K1408 HydrophobicContact CG2-CG 4.26Å; L1390-K1408 CarbonylContact O-C 3.56Å; L1390-K1408 WeakPolarHBondContact O-CA 3.3Å
1409V81.1Confident76.3Confident0 Ų053.5 Ų53.50%029%0.291CS..EExtended strand (participates in β ladder)trans-133.1152.3-171.2-71.20000111.4Y1365 K1389 L1390 I1392 L1430 N1432Y1365-V1409 HydrophobicContact CD2-CG1 4.01Å; Y1365-V1409 HydrophobicContact CE2-CG1 3.93Å; K1389-V1409 WeakPolarHBondContact CA-O 3.29Å; L1390-V1409 HydrophobicContact CB-CG2 4.25Å; L1390-V1409 PolarHBondContact N-O 2.97Å; L1390-V1409 PolarHBondContact O-N 3.4Å; I1392-V1409 HydrophobicContact CD1-CG2 4.03Å; I1392-V1409 HydrophobicContact CG1-CG2 4.15Å; V1409-L1430 HydrophobicContact CB-CB 4.02Å; V1409-L1430 HydrophobicContact CB-CD2 4.31Å; V1409-L1430 HydrophobicContact CG2-CB 3.96Å; V1409-L1430 HydrophobicContact CG2-CD1 3.72Å; V1409-L1430 HydrophobicContact CG2-CD2 3.88Å; V1409-L1430 HydrophobicContact CG2-CG 4.09Å; V1409-N1432 VanDerWaalsContact CG1-OD1 3.25Å; V1409-N1432 WeakPolarHBondContact CG1-OD1 3.16Å
1410F81.2Confident76.7Confident32 Ų3256.2 Ų56.214%0.1431%0.306CS..EExtended strand (participates in β ladder)trans-105142.6179.9-59-101.2000110K1389 S1412 L1430 V1431 N1432 L1434K1389-F1410 HydrophobicContact CD-CE1 4.45Å; K1389-F1410 HydrophobicContact CG-CD1 4.26Å; K1389-F1410 HydrophobicContact CG-CE1 4.39Å; F1410-S1412 PolarHBondContact O-N 3.47Å; F1410-L1430 CarbonylContact O-C 3.53Å; F1410-L1430 VanDerWaalsContact O-CA 3.25Å; F1410-L1430 WeakPolarHBondContact O-CA 3.26Å; F1410-L1430 WeakPolarHBondContact O-CD2 3.21Å; F1410-V1431 HydrophobicContact CB-CG2 4.28Å; F1410-V1431 PolarHBondContact N-O 3.38Å; F1410-V1431 PolarHBondContact O-N 2.93Å; F1410-N1432 WeakPolarHBondContact CE2-O 3.42Å; F1410-L1434 HydrophobicContact CB-CD2 3.69Å; F1410-L1434 HydrophobicContact CB-CG 4.1Å; F1410-L1434 HydrophobicContact CD1-CD1 3.76Å; F1410-L1434 HydrophobicContact CD1-CD2 4.29Å; F1410-L1434 HydrophobicContact CD1-CG 3.91Å; F1410-L1434 HydrophobicContact CD2-CG 4.37Å; F1410-L1434 HydrophobicContact CE1-CD1 3.96Å; F1410-L1434 HydrophobicContact CE1-CG 4.32Å; F1410-L1434 HydrophobicContact CG-CD1 4.29Å; F1410-L1434 HydrophobicContact CG-CD2 4.08Å; F1410-L1434 HydrophobicContact CG-CG 3.91Å
1411V84.4Confident76.5Confident0 Ų053.1 Ų53.10%029%0.289CS..EExtended strand (participates in β ladder)trans-70124.1169.8-173.80000108.7A1388 N1413 I1428 L1430A1388-V1411 HydrophobicContact CB-CG2 3.93Å; A1388-V1411 PolarHBondContact O-N 3.2Å; A1388-V1411 VanDerWaalsContact O-N 3.08Å; V1411-N1413 WeakPolarHBondContact CG1-O 3.48Å; V1411-I1428 HydrophobicContact CG1-CB 4.28Å; V1411-I1428 HydrophobicContact CG1-CG2 4.26Å; V1411-I1428 HydrophobicContact CG2-CD1 4.18Å; V1411-L1430 HydrophobicContact CB-CD2 4.38Å; V1411-L1430 HydrophobicContact CG2-CD2 3.76Å
1412S80.5Confident76.3Confident30 Ų3055.3 Ų55.321%0.2130%0.295CS..EExtended strand (participates in β ladder)trans-102.9-40.2175.457.80000111.2R608 F1410 E1429R608-S1412 PolarHBondContact N-O 3.01Å; F1410-S1412 PolarHBondContact O-N 3.47Å; S1412-E1429 PolarHBondContact N-O 3.03Å; S1412-E1429 PolarHBondContact OG-O 3.36Å
1413N85.3Confident76.7Confident25 Ų2555.1 Ų55.113%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-130.7136.8173.8-164.131.9000109.3A606 K607 V1411 I1428 E1429A606-N1413 PolarHBondContact O-OD1 2.93Å; A606-N1413 VanDerWaalsContact O-OD1 3.14Å; K607-N1413 WeakPolarHBondContact CG-OD1 3.39Å; V1411-N1413 WeakPolarHBondContact CG1-O 3.48Å; N1413-I1428 WeakPolarHBondContact O-CA 3.3Å; N1413-E1429 HydrophobicContact CB-CB 3.84Å; N1413-E1429 HydrophobicContact CB-CG 4.03Å; N1413-E1429 WeakPolarHBondContact CB-OE2 3.37Å; N1413-E1429 PolarHBondContact N-O 3.38Å; N1413-E1429 PolarHBondContact O-N 3.48Å
1414Y87.8Confident76.8Confident24 Ų2452.4 Ų52.49%0.09427%0.274CS..EExtended strand (participates in β ladder)trans-125118.3-179.6175.8-102.1000108.9Y604 D605 A606 L1384 V1416 V1426 I1428Y604-Y1414 HydrophobicContact CD1-CD1 4.04Å; Y604-Y1414 HydrophobicContact CD1-CE1 4.03Å; Y604-Y1414 AromaticContact CE1-CD1 3.87Å; Y604-Y1414 HydrophobicContact CE1-CD1 3.87Å; Y604-Y1414 HydrophobicContact CE1-CE1 4.03Å; D605-Y1414 WeakPolarHBondContact CA-O 3.49Å; A606-Y1414 PolarHBondContact N-O 3.26Å; A606-Y1414 PolarHBondContact O-N 3.05Å; L1384-Y1414 HydrophobicContact CD2-CE2 4.46Å; L1384-Y1414 HydrophobicContact CG-CE2 4.05Å; L1384-Y1414 WeakPolarHBondContact O-CE2 3.41Å; L1384-Y1414 PolarHBondContact O-OH 3.09Å; Y1414-V1416 HydrophobicContact CD1-CG2 4.1Å; Y1414-V1416 HydrophobicContact CE1-CG2 3.24Å; Y1414-V1416 HydrophobicContact CE2-CG2 4.01Å; Y1414-V1416 WeakPolarHBondContact OH-CG2 3.45Å; Y1414-V1426 HydrophobicContact CD2-CG1 4.31Å; Y1414-V1426 HydrophobicContact CE2-CG1 3.71Å; Y1414-I1428 HydrophobicContact CD2-CG2 3.72Å; Y1414-I1428 HydrophobicContact CE2-CG2 4.42Å
1415S88.9Confident77.5Confident17 Ų1751.6 Ų51.612%0.11927%0.269CS..EExtended strand (participates in β ladder)trans-122.2128.7-179.5-162.60000110.7T603 Y604 D605 V1426 E1427T603-S1415 WeakPolarHBondContact CG2-OG 3.08Å; Y604-S1415 CarbonylContact O-C 3.46Å; Y604-S1415 WeakPolarHBondContact O-CA 3.11Å; D605-S1415 WeakPolarHBondContact OD1-CB 3.2Å; D605-S1415 PolarHBondContact OD1-OG 2.77Å; S1415-V1426 WeakPolarHBondContact O-CA 3.32Å; S1415-E1427 WeakPolarHBondContact CA-O 3.29Å; S1415-E1427 WeakPolarHBondContact CB-O 3.48Å; S1415-E1427 PolarHBondContact N-O 3.33Å; S1415-E1427 PolarHBondContact O-N 3.29Å
1416V87.1Confident78.2Confident7 Ų749.1 Ų49.14%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-124.3115.1176.5-1780000108.9T603 Y604 Y1414 V1418 A1424 E1425 V1426T603-V1416 CarbonylContact C-O 3.48Å; T603-V1416 VanDerWaalsContact CA-O 3.23Å; T603-V1416 WeakPolarHBondContact CA-O 3.12Å; Y604-V1416 PolarHBondContact N-O 3.41Å; Y604-V1416 PolarHBondContact O-N 3.24Å; Y1414-V1416 HydrophobicContact CD1-CG2 4.1Å; Y1414-V1416 HydrophobicContact CE1-CG2 3.24Å; Y1414-V1416 HydrophobicContact CE2-CG2 4.01Å; Y1414-V1416 WeakPolarHBondContact OH-CG2 3.45Å; V1416-V1418 HydrophobicContact CG1-CG2 4.3Å; V1416-A1424 HydrophobicContact CG1-CB 4.19Å; V1416-E1425 CarbonylContact C-O 3.42Å; V1416-E1425 WeakPolarHBondContact CA-O 3.21Å; V1416-V1426 HydrophobicContact CG1-CG2 4.32Å; V1416-V1426 HydrophobicContact CG2-CG1 4.45Å; V1416-V1426 HydrophobicContact CG2-CG2 4.13Å
1417K86.6Confident79Confident76 Ų7649.2 Ų49.233%0.3325%0.25SS..EExtended strand (participates in β ladder)trans-106.1122.6174.5-177.5179.8175.1-172.40110.3Y602 T603 E1425Y602-K1417 CarbonylContact O-C 3.58Å; Y602-K1417 VanDerWaalsContact O-CA 3.31Å; Y602-K1417 WeakPolarHBondContact O-CA 3.45Å; T603-K1417 HydrophobicContact CG2-CB 4.33Å; K1417-E1425 HydrophobicContact CB-CB 4.33Å; K1417-E1425 PolarHBondContact N-O 2.94Å; K1417-E1425 PolarHBondContact O-N 3.25Å
1418V79Confident79.6Confident33 Ų3347.2 Ų47.220%0.224%0.241CC..EExtended strand (participates in β ladder)trans-111.3123.6169.8-178.40000107.5S601 Y602 V1416 A1424S601-V1418 CarbonylContact C-O 3.55Å; S601-V1418 WeakPolarHBondContact CA-O 3.3Å; S601-V1418 WeakPolarHBondContact CB-O 3.44Å; Y602-V1418 HydrophobicContact CD1-CB 4.02Å; Y602-V1418 HydrophobicContact CE1-CB 3.53Å; Y602-V1418 HydrophobicContact CE1-CG1 3.97Å; Y602-V1418 HydrophobicContact CE1-CG2 3.87Å; Y602-V1418 HydrophobicContact CE2-CB 4.29Å; Y602-V1418 HydrophobicContact CE2-CG2 3.96Å; Y602-V1418 VanDerWaalsContact CZ-CG2 3.45Å; Y602-V1418 PolarHBondContact N-O 2.94Å; Y602-V1418 PolarHBondContact O-N 3.24Å; Y602-V1418 WeakPolarHBondContact OH-CG2 3.42Å; V1416-V1418 HydrophobicContact CG1-CG2 4.3Å; V1418-A1424 HydrophobicContact CG2-CB 3.77Å
1419D72.7Confident80Confident33 Ų3345.9 Ų45.918%0.17624%0.237CC..  trans-120.5-171.3174.651.525.5000109.8R1371 D1421R1371-D1419 IonicContact CZ-OD1 2.81Å; R1371-D1419 IonicContact CZ-OD2 3.35Å; R1371-D1419 IonicContact NH1-OD1 3.47Å; R1371-D1419 PolarHBondContact NH1-OD1 3.49Å; R1371-D1419 IonicContact NH1-OD2 3.99Å; R1371-D1419 IonicContact NH2-OD1 3.29Å; R1371-D1419 IonicContact NH2-OD2 3.73Å; R1371-D1419 PolarHBondContact NH2-OD2 3.4Å; D1419-D1421 PolarHBondContact O-N 3.46Å; D1419-D1421 WeakPolarHBondContact OD1-CB 3.19Å; D1419-D1421 PolarHBondContact OD1-N 2.99Å
1420N68.4Low80.1Confident118 Ų11845.9 Ų45.963%0.63124%0.237SC*.SBendtrans-66.1-3-177.8-75.3-25.6000114.4S600 E1422S600-N1420 PolarHBondContact O-OD1 3.47Å; S600-N1420 PolarHBondContact OG-ND2 2.99Å; N1420-E1422 PolarHBondContact O-N 3.44Å; N1420-E1422 VanDerWaalsContact O-N 3.1Å
1421D57.8Low79.8Confident112 Ų11245.5 Ų45.560%0.59924%0.237SC*.SBendtrans-82.927.5-172.3-65.5-35.4000114.5R1371 D1419 L1423R1371-D1421 IonicContact NH1-OD2 3.62Å; D1419-D1421 PolarHBondContact O-N 3.46Å; D1419-D1421 WeakPolarHBondContact OD1-CB 3.19Å; D1419-D1421 PolarHBondContact OD1-N 2.99Å; D1421-L1423 PolarHBondContact O-N 2.93Å
1422E61.6Low79.1Confident190 Ų19047.8 Ų47.889%0.88825%0.25SC*.SBendtrans58-25.5-178.5-66.6-171.616900117.1N1420N1420-E1422 PolarHBondContact O-N 3.44Å; N1420-E1422 VanDerWaalsContact O-N 3.1Å
1423L75.5Confident78.3Confident42 Ų4248.9 Ų48.922%0.2226%0.257CS..SBendtrans-119.4142-175-53.7176.7000111.9R1371 I1372 Q1375 D1421R1371-L1423 HydrophobicContact CB-CB 3.64Å; R1371-L1423 HydrophobicContact CB-CD1 4.1Å; R1371-L1423 WeakPolarHBondContact CD-O 3.28Å; R1371-L1423 HydrophobicContact CG-CB 4.5Å; R1371-L1423 PolarHBondContact NH1-O 2.96Å; I1372-L1423 HydrophobicContact CG1-CD1 4.48Å; Q1375-L1423 HydrophobicContact CB-CD2 4.39Å; Q1375-L1423 HydrophobicContact CG-CD2 4.12Å; D1421-L1423 PolarHBondContact O-N 2.93Å
1424A73.4Confident77Confident37 Ų3749.1 Ų49.131%0.30626%0.258SS..  trans-74.2135.3179.800000112.9R1371 V1416 V1418R1371-A1424 WeakPolarHBondContact CB-O 3.07Å; R1371-A1424 VanDerWaalsContact CG-O 3.31Å; R1371-A1424 WeakPolarHBondContact CG-O 3.31Å; V1416-A1424 HydrophobicContact CG1-CB 4.19Å; V1418-A1424 HydrophobicContact CG2-CB 3.77Å
1425E82.6Confident75.4Confident26 Ų2654 Ų5412%0.12128%0.282CS..EExtended strand (participates in β ladder)trans-89.6127.9166.4-170.7163.7130.100109.6K1368 R1371 V1416 K1417K1368-E1425 IonicContact NZ-OE1 3.59Å; K1368-E1425 PolarHBondContact NZ-OE1 3.47Å; R1371-E1425 IonicContact CZ-OE2 3.28Å; R1371-E1425 IonicContact NE-OE2 2.71Å; R1371-E1425 PolarHBondContact NE-OE2 2.96Å; R1371-E1425 IonicContact NH2-OE2 3.01Å; R1371-E1425 PolarHBondContact NH2-OE2 3.46Å; V1416-E1425 CarbonylContact C-O 3.42Å; V1416-E1425 WeakPolarHBondContact CA-O 3.21Å; K1417-E1425 HydrophobicContact CB-CB 4.33Å; K1417-E1425 PolarHBondContact N-O 2.94Å; K1417-E1425 PolarHBondContact O-N 3.25Å
1426V85.2Confident73.2Confident7 Ų756.2 Ų56.24%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-118.1122.2177.6-179.40000109F1369 L1374 L1384 Y1414 S1415 V1416 I1428F1369-V1426 HydrophobicContact CB-CB 4.36Å; F1369-V1426 PolarHBondContact N-O 3.29Å; L1374-V1426 HydrophobicContact CD1-CB 3.73Å; L1374-V1426 HydrophobicContact CD1-CG2 3.35Å; L1384-V1426 HydrophobicContact CD2-CG1 3.89Å; Y1414-V1426 HydrophobicContact CD2-CG1 4.31Å; Y1414-V1426 HydrophobicContact CE2-CG1 3.71Å; S1415-V1426 WeakPolarHBondContact O-CA 3.32Å; V1416-V1426 HydrophobicContact CG1-CG2 4.32Å; V1416-V1426 HydrophobicContact CG2-CG1 4.45Å; V1416-V1426 HydrophobicContact CG2-CG2 4.13Å; V1426-I1428 HydrophobicContact CG1-CG2 4.1Å
1427E88.3Confident71.1Confident56 Ų5661.2 Ų61.226%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-113.3136.4172.6-43.9-166.6-16300109.2V1367 K1368 S1415V1367-E1427 CarbonylContact O-C 3.57Å; V1367-E1427 WeakPolarHBondContact O-CA 3.49Å; K1368-E1427 HydrophobicContact CD-CG 4.16Å; K1368-E1427 WeakPolarHBondContact CE-OE1 3.45Å; K1368-E1427 VanDerWaalsContact CE-OE2 3.26Å; K1368-E1427 WeakPolarHBondContact CE-OE2 3.38Å; K1368-E1427 HydrophobicContact CG-CB 4.47Å; K1368-E1427 HydrophobicContact CG-CG 3.88Å; K1368-E1427 VanDerWaalsContact NZ-CD 3.3Å; K1368-E1427 IonicContact NZ-OE1 3.97Å; K1368-E1427 PolarHBondContact NZ-OE1 3.11Å; K1368-E1427 IonicContact NZ-OE2 2.68Å; S1415-E1427 WeakPolarHBondContact CA-O 3.29Å; S1415-E1427 WeakPolarHBondContact CB-O 3.48Å; S1415-E1427 PolarHBondContact N-O 3.33Å; S1415-E1427 PolarHBondContact O-N 3.29Å
1428I87Confident68.8Low1 Ų164.2 Ų64.21%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-133.8144.9177.660.6171.1000110.8S1366 V1367 F1369 L1384 L1390 V1411 N1413 Y1414 V1426 L1430S1366-I1428 WeakPolarHBondContact CA-O 3.42Å; V1367-I1428 HydrophobicContact CB-CG1 3.92Å; V1367-I1428 PolarHBondContact N-O 3.33Å; V1367-I1428 PolarHBondContact O-N 2.87Å; F1369-I1428 HydrophobicContact CD2-CD1 4.48Å; F1369-I1428 HydrophobicContact CE2-CD1 3.54Å; F1369-I1428 HydrophobicContact CE2-CG1 3.99Å; F1369-I1428 HydrophobicContact CZ-CD1 4.31Å; L1384-I1428 HydrophobicContact CD1-CD1 4.42Å; L1390-I1428 HydrophobicContact CD1-CD1 3.26Å; V1411-I1428 HydrophobicContact CG1-CB 4.28Å; V1411-I1428 HydrophobicContact CG1-CG2 4.26Å; V1411-I1428 HydrophobicContact CG2-CD1 4.18Å; N1413-I1428 WeakPolarHBondContact O-CA 3.3Å; Y1414-I1428 HydrophobicContact CD2-CG2 3.72Å; Y1414-I1428 HydrophobicContact CE2-CG2 4.42Å; V1426-I1428 HydrophobicContact CG1-CG2 4.1Å; I1428-L1430 HydrophobicContact CD1-CD1 3.72Å; I1428-L1430 HydrophobicContact CD1-CD2 3.71Å; I1428-L1430 HydrophobicContact CD1-CG 3.72Å; I1428-L1430 HydrophobicContact CG1-CD1 4.18Å; I1428-L1430 HydrophobicContact CG1-CD2 4.45Å; I1428-L1430 HydrophobicContact CG1-CG 4.04Å
1429E85.6Confident67.1Low97 Ų9765.5 Ų65.545%0.45335%0.349SS..EExtended strand (participates in β ladder)trans-101.7127.9166.6-61.2179.8164.200108.9Y1365 S1412 N1413Y1365-E1429 CarbonylContact O-C 3.53Å; Y1365-E1429 WeakPolarHBondContact O-CA 3.5Å; S1412-E1429 PolarHBondContact N-O 3.03Å; S1412-E1429 PolarHBondContact OG-O 3.36Å; N1413-E1429 HydrophobicContact CB-CB 3.84Å; N1413-E1429 HydrophobicContact CB-CG 4.03Å; N1413-E1429 WeakPolarHBondContact CB-OE2 3.37Å; N1413-E1429 PolarHBondContact N-O 3.38Å; N1413-E1429 PolarHBondContact O-N 3.48Å
1430L84Confident65.4Low0 Ų069.5 Ų69.50%037%0.37CS..EExtended strand (participates in β ladder)trans-117.8130.5-171.9-70.8170.7000109.9N1364 Y1365 V1367 L1390 I1392 V1409 F1410 V1411 I1428N1364-L1430 WeakPolarHBondContact CA-O 3.49Å; Y1365-L1430 PolarHBondContact N-O 3.11Å; Y1365-L1430 WeakPolarHBondContact O-CB 3.41Å; Y1365-L1430 PolarHBondContact O-N 3.26Å; V1367-L1430 HydrophobicContact CB-CD1 4.36Å; V1367-L1430 HydrophobicContact CG2-CD1 3.7Å; L1390-L1430 HydrophobicContact CD1-CD1 4.18Å; L1390-L1430 HydrophobicContact CD1-CD2 4Å; L1390-L1430 HydrophobicContact CG-CD2 4.43Å; I1392-L1430 HydrophobicContact CD1-CD1 3.2Å; I1392-L1430 HydrophobicContact CG1-CD1 4.37Å; V1409-L1430 HydrophobicContact CB-CB 4.02Å; V1409-L1430 HydrophobicContact CB-CD2 4.31Å; V1409-L1430 HydrophobicContact CG2-CB 3.96Å; V1409-L1430 HydrophobicContact CG2-CD1 3.72Å; V1409-L1430 HydrophobicContact CG2-CD2 3.88Å; V1409-L1430 HydrophobicContact CG2-CG 4.09Å; F1410-L1430 CarbonylContact O-C 3.53Å; F1410-L1430 VanDerWaalsContact O-CA 3.25Å; F1410-L1430 WeakPolarHBondContact O-CA 3.26Å; F1410-L1430 WeakPolarHBondContact O-CD2 3.21Å; V1411-L1430 HydrophobicContact CB-CD2 4.38Å; V1411-L1430 HydrophobicContact CG2-CD2 3.76Å; I1428-L1430 HydrophobicContact CD1-CD1 3.72Å; I1428-L1430 HydrophobicContact CD1-CD2 3.71Å; I1428-L1430 HydrophobicContact CD1-CG 3.72Å; I1428-L1430 HydrophobicContact CG1-CD1 4.18Å; I1428-L1430 HydrophobicContact CG1-CD2 4.45Å; I1428-L1430 HydrophobicContact CG1-CG 4.04Å
1431V73.5Confident64Low24 Ų2466.8 Ų66.815%0.14536%0.358CS..EExtended strand (participates in β ladder)trans-118.9143.6179.1-65.50000109.8F1410 S1433 L1434F1410-V1431 HydrophobicContact CB-CG2 4.28Å; F1410-V1431 PolarHBondContact N-O 3.38Å; F1410-V1431 PolarHBondContact O-N 2.93Å; V1431-S1433 WeakPolarHBondContact CG2-O 3.32Å; V1431-S1433 PolarHBondContact O-N 3.35Å; V1431-L1434 HydrophobicContact CG2-CD2 4.37Å
1432N70.4Confident63.1Low49 Ų4966.5 Ų66.526%0.26235%0.351SS..SBendtrans-66.8-27.6176.1-77.2-17.8000112.4V1409 F1410V1409-N1432 VanDerWaalsContact CG1-OD1 3.25Å; V1409-N1432 WeakPolarHBondContact CG1-OD1 3.16Å; F1410-N1432 WeakPolarHBondContact CE2-O 3.42Å
1433S63.2Low62.3Low53 Ų5364.6 Ų64.637%0.37134%0.343SS..  trans-142143.4-173.4151.80000110V1431 E1435V1431-S1433 WeakPolarHBondContact CG2-O 3.32Å; V1431-S1433 PolarHBondContact O-N 3.35Å; S1433-E1435 PolarHBondContact OG-N 3.09Å; S1433-E1435 VanDerWaalsContact OG-N 3.17Å
1434L58.4Low60.8Low30 Ų3068.1 Ų68.116%0.15736%0.36CS..  trans-85.8-4177.3-67.2173.3000113.8R608 M609 F1410 V1431 V1436R608-L1434 VanDerWaalsContact NH1-CD1 3.25Å; M609-L1434 HydrophobicContact CE-CB 4.33Å; F1410-L1434 HydrophobicContact CB-CD2 3.69Å; F1410-L1434 HydrophobicContact CB-CG 4.1Å; F1410-L1434 HydrophobicContact CD1-CD1 3.76Å; F1410-L1434 HydrophobicContact CD1-CD2 4.29Å; F1410-L1434 HydrophobicContact CD1-CG 3.91Å; F1410-L1434 HydrophobicContact CD2-CG 4.37Å; F1410-L1434 HydrophobicContact CE1-CD1 3.96Å; F1410-L1434 HydrophobicContact CE1-CG 4.32Å; F1410-L1434 HydrophobicContact CG-CD1 4.29Å; F1410-L1434 HydrophobicContact CG-CD2 4.08Å; F1410-L1434 HydrophobicContact CG-CG 3.91Å; V1431-L1434 HydrophobicContact CG2-CD2 4.37Å; L1434-V1436 PolarHBondContact O-N 2.91Å
1435E53.9Low59.4Low125 Ų12568.8 Ų68.858%0.58436%0.358SS*.SBendtrans-59.6117.4175.4-72.3-155.7179.800109.6S1433 T1437 K1438S1433-E1435 PolarHBondContact OG-N 3.09Å; S1433-E1435 VanDerWaalsContact OG-N 3.17Å; E1435-T1437 PolarHBondContact O-N 3.29Å; E1435-K1438 IonicContact OE1-NZ 2.8Å; E1435-K1438 IonicContact OE2-NZ 3.08Å; E1435-K1438 PolarHBondContact OE2-NZ 2.95Å
1436V43.8Very low57.5Low65 Ų6571.5 Ų71.539%0.39437%0.374SS..  trans-55.1127.7174.6-1780000108L1434 K1438L1434-V1436 PolarHBondContact O-N 2.91Å; V1436-K1438 PolarHBondContact O-N 3.09Å
1437T41.6Very low55.5Low111 Ų11174.3 Ų74.368%0.68140%0.398SS*.  trans-5099.9175.327.80000109.7E1435 S1439E1435-T1437 PolarHBondContact O-N 3.29Å; T1437-S1439 PolarHBondContact O-N 2.87Å
1438K39.3Very low53.4Low140 Ų14073.9 Ų73.961%0.60940%0.398SS*.THydrogen-bonded Turntrans-61.715.5-172.6-74.2169.3172.8152.30115.5E1435 V1436 K1442E1435-K1438 IonicContact OE1-NZ 2.8Å; E1435-K1438 IonicContact OE2-NZ 3.08Å; E1435-K1438 PolarHBondContact OE2-NZ 2.95Å; V1436-K1438 PolarHBondContact O-N 3.09Å; K1438-K1442 WeakPolarHBondContact O-CB 3.19Å
1439S42.1Very low51.1Low60 Ų6080 Ų8042%0.4243%0.425SS..THydrogen-bonded Turntrans-75.4-57.2-176.4169.90000112T1437T1437-S1439 PolarHBondContact O-N 2.87Å
1440D37.5Very low48.8Very low116 Ų11677.3 Ų77.362%0.6242%0.423SS*.Hα-helixtrans-88.4-39-160.2-60.6-8000111.6K1442 Q1443D1440-K1442 VanDerWaalsContact C-N 3.32Å; D1440-K1442 PolarHBondContact O-N 2.77Å; D1440-Q1443 PolarHBondContact O-N 2.95Å
1441T39.8Very low46.9Very low62 Ų6284.6 Ų84.638%0.3846%0.457SS..Hα-helixtrans-71.2-27.5176.5-270000112.1I1444 I1445T1441-I1444 PolarHBondContact O-N 2.66Å; T1441-I1445 HydrophobicContact CG2-CD1 3.84Å; T1441-I1445 HydrophobicContact CG2-CG1 4.35Å; T1441-I1445 WeakPolarHBondContact O-CB 3.38Å; T1441-I1445 VanDerWaalsContact O-CG1 3.23Å; T1441-I1445 WeakPolarHBondContact O-CG1 3.16Å; T1441-I1445 PolarHBondContact O-N 3.4Å
1442K39Very low45.2Very low105 Ų10584.1 Ų84.146%0.45745%0.454SS..Hα-helixtrans-72.2-33.2178-169.2166.8-179.2169.70112.3K1438 D1440 I1444 I1445 D1446K1438-K1442 WeakPolarHBondContact O-CB 3.19Å; D1440-K1442 VanDerWaalsContact C-N 3.32Å; D1440-K1442 PolarHBondContact O-N 2.77Å; K1442-I1444 VanDerWaalsContact C-N 3.3Å; K1442-I1444 PolarHBondContact O-N 2.8Å; K1442-I1445 PolarHBondContact O-N 2.88Å; K1442-D1446 VanDerWaalsContact CE-OD2 3.22Å; K1442-D1446 WeakPolarHBondContact CE-OD2 3.47Å; K1442-D1446 WeakPolarHBondContact CG-OD2 3.2Å; K1442-D1446 WeakPolarHBondContact O-CB 3.31Å; K1442-D1446 VanDerWaalsContact O-CG 3.25Å; K1442-D1446 PolarHBondContact O-N 3.35Å
1443Q44.8Very low43.8Very low151 Ų15185.9 Ų85.971%0.70647%0.467SS*.Hα-helixtrans-62.9-38.4172.3-75.9-170.31.600112.1D1440 A1447D1440-Q1443 PolarHBondContact O-N 2.95Å; Q1443-A1447 WeakPolarHBondContact O-CB 3.36Å; Q1443-A1447 PolarHBondContact O-N 2.77Å
1444I43.6Very low42.6Very low115 Ų11591.5 Ų91.559%0.5949%0.485SS*.Hα-helixtrans-71.9-44.5177.2-59.6173.1000110.6T1441 K1442 A1447 V1448T1441-I1444 PolarHBondContact O-N 2.66Å; K1442-I1444 VanDerWaalsContact C-N 3.3Å; K1442-I1444 PolarHBondContact O-N 2.8Å; I1444-A1447 PolarHBondContact O-N 3.04Å; I1444-V1448 WeakPolarHBondContact O-CG2 3.31Å; I1444-V1448 PolarHBondContact O-N 3.1Å; I1444-V1448 VanDerWaalsContact O-N 3.09Å
1445I44.2Very low41.7Very low51 Ų5192.5 Ų92.526%0.26249%0.494SS..Hα-helixtrans-68.5-38.8-179.8-70168.3000111.8T1441 K1442 A1447 V1448 K1449T1441-I1445 HydrophobicContact CG2-CD1 3.84Å; T1441-I1445 HydrophobicContact CG2-CG1 4.35Å; T1441-I1445 WeakPolarHBondContact O-CB 3.38Å; T1441-I1445 VanDerWaalsContact O-CG1 3.23Å; T1441-I1445 WeakPolarHBondContact O-CG1 3.16Å; T1441-I1445 PolarHBondContact O-N 3.4Å; K1442-I1445 PolarHBondContact O-N 2.88Å; I1445-A1447 VanDerWaalsContact C-N 3.32Å; I1445-V1448 PolarHBondContact O-N 2.75Å; I1445-K1449 HydrophobicContact CG2-CD 3.7Å; I1445-K1449 VanDerWaalsContact CG2-CE 3.44Å; I1445-K1449 HydrophobicContact CG2-CG 3.99Å; I1445-K1449 VanDerWaalsContact O-CB 3.27Å; I1445-K1449 WeakPolarHBondContact O-CB 3.46Å; I1445-K1449 VanDerWaalsContact O-CG 3.32Å; I1445-K1449 WeakPolarHBondContact O-CG 3.5Å; I1445-K1449 PolarHBondContact O-N 2.78Å
1446D43.2Very low41Very low84 Ų8490.5 Ų90.545%0.44949%0.487SS..Hα-helixtrans-69.8-32.5178.7-72.4-11.2000111.1K1442 G1450K1442-D1446 VanDerWaalsContact CE-OD2 3.22Å; K1442-D1446 WeakPolarHBondContact CE-OD2 3.47Å; K1442-D1446 WeakPolarHBondContact CG-OD2 3.2Å; K1442-D1446 WeakPolarHBondContact O-CB 3.31Å; K1442-D1446 VanDerWaalsContact O-CG 3.25Å; K1442-D1446 PolarHBondContact O-N 3.35Å; D1446-G1450 PolarHBondContact O-N 3.37Å; D1446-G1450 VanDerWaalsContact O-N 3.1Å
1447A41.5Very low40.4Very low66 Ų6690.9 Ų90.955%0.54549%0.493SS..Hα-helixtrans-63.8-46170.600000111.7Q1443 I1444 I1445 G1450 E1451Q1443-A1447 WeakPolarHBondContact O-CB 3.36Å; Q1443-A1447 PolarHBondContact O-N 2.77Å; I1444-A1447 PolarHBondContact O-N 3.04Å; I1445-A1447 VanDerWaalsContact C-N 3.32Å; A1447-G1450 PolarHBondContact O-N 3.45Å; A1447-E1451 PolarHBondContact O-N 3.07Å
1448V44.9Very low40.1Very low46 Ų4690.2 Ų90.228%0.27949%0.492SS..Hα-helixtrans-74-38.4-178.9177.80000112.4I1444 I1445 G1450 E1451 T1452I1444-V1448 WeakPolarHBondContact O-CG2 3.31Å; I1444-V1448 PolarHBondContact O-N 3.1Å; I1444-V1448 VanDerWaalsContact O-N 3.09Å; I1445-V1448 PolarHBondContact O-N 2.75Å; V1448-G1450 VanDerWaalsContact C-N 3.27Å; V1448-G1450 PolarHBondContact O-N 2.81Å; V1448-E1451 PolarHBondContact O-N 3.13Å; V1448-T1452 WeakPolarHBondContact O-CB 3.38Å; V1448-T1452 PolarHBondContact O-N 2.83Å; V1448-T1452 PolarHBondContact O-OG1 3.19Å
1449K38.4Very low39.6Very low131 Ų13190.6 Ų90.657%0.5750%0.498SS*.Hα-helixtrans-62.5-36.1174.2-78.6-178.8178.6175.50111.3I1445 V1453I1445-K1449 HydrophobicContact CG2-CD 3.7Å; I1445-K1449 VanDerWaalsContact CG2-CE 3.44Å; I1445-K1449 HydrophobicContact CG2-CG 3.99Å; I1445-K1449 VanDerWaalsContact O-CB 3.27Å; I1445-K1449 WeakPolarHBondContact O-CB 3.46Å; I1445-K1449 VanDerWaalsContact O-CG 3.32Å; I1445-K1449 WeakPolarHBondContact O-CG 3.5Å; I1445-K1449 PolarHBondContact O-N 2.78Å; K1449-V1453 VanDerWaalsContact O-CB 3.22Å; K1449-V1453 WeakPolarHBondContact O-CB 3.33Å; K1449-V1453 VanDerWaalsContact O-CG2 3.23Å; K1449-V1453 WeakPolarHBondContact O-CG2 2.86Å; K1449-V1453 PolarHBondContact O-N 2.85Å
1450G38.6Very low39Very low40 Ų4093.7 Ų93.741%0.41251%0.514SS..Hα-helixtrans-64.6-38.5177.600000114.2D1446 A1447 V1448 K1454D1446-G1450 PolarHBondContact O-N 3.37Å; D1446-G1450 VanDerWaalsContact O-N 3.1Å; A1447-G1450 PolarHBondContact O-N 3.45Å; V1448-G1450 VanDerWaalsContact C-N 3.27Å; V1448-G1450 PolarHBondContact O-N 2.81Å; G1450-K1454 WeakPolarHBondContact O-CG 3.34Å
1451E42.7Very low38.5Very low152 Ų15291.8 Ų91.871%0.7152%0.522SS*.Hα-helixtrans-90.1-38.2-177.2-101-17615900113.7A1447 V1448 K1454 S1455A1447-E1451 PolarHBondContact O-N 3.07Å; V1448-E1451 PolarHBondContact O-N 3.13Å; E1451-K1454 PolarHBondContact O-N 2.8Å; E1451-S1455 PolarHBondContact O-N 2.84Å; E1451-S1455 PolarHBondContact O-OG 2.73Å
1452T39.1Very low38Very low14 Ų1492.5 Ų92.59%0.08654%0.542CS..Hα-helixtrans-78.8-34-176.7-55.40000111.8V1448 K1454 S1455 L1456V1448-T1452 WeakPolarHBondContact O-CB 3.38Å; V1448-T1452 PolarHBondContact O-N 2.83Å; V1448-T1452 PolarHBondContact O-OG1 3.19Å; T1452-K1454 VanDerWaalsContact C-N 3.32Å; T1452-K1454 PolarHBondContact O-N 2.9Å; T1452-S1455 WeakPolarHBondContact CA-OG 3.39Å; T1452-S1455 PolarHBondContact O-N 2.87Å; T1452-S1455 PolarHBondContact O-OG 2.89Å; T1452-L1456 HydrophobicContact CG2-CD1 3.81Å; T1452-L1456 PolarHBondContact O-N 2.98Å
1453V39.7Very low37.6Very low86 Ų8692.8 Ų92.852%0.52156%0.557SS.*Hα-helixtrans-70.8-30.2172.9179.80000111.4K1449 S1457K1449-V1453 VanDerWaalsContact O-CB 3.22Å; K1449-V1453 WeakPolarHBondContact O-CB 3.33Å; K1449-V1453 VanDerWaalsContact O-CG2 3.23Å; K1449-V1453 WeakPolarHBondContact O-CG2 2.86Å; K1449-V1453 PolarHBondContact O-N 2.85Å; V1453-S1457 WeakPolarHBondContact O-CB 3.4Å; V1453-S1457 PolarHBondContact O-N 2.89Å; V1453-S1457 PolarHBondContact O-OG 3.34Å
1454K39.5Very low37.1Very low171 Ų17192.2 Ų92.274%0.74356%0.559SS**Hα-helixtrans-68.4-39.3171.5-88.7-178.9178.8171.90112.5G1450 E1451 T1452 S1458G1450-K1454 WeakPolarHBondContact O-CG 3.34Å; E1451-K1454 PolarHBondContact O-N 2.8Å; T1452-K1454 VanDerWaalsContact C-N 3.32Å; T1452-K1454 PolarHBondContact O-N 2.9Å; K1454-S1458 WeakPolarHBondContact O-CB 3.41Å; K1454-S1458 PolarHBondContact O-N 2.95Å; K1454-S1458 PolarHBondContact O-OG 3.32Å
1455S39.2Very low36.6Very low52 Ų5291.1 Ų91.136%0.36456%0.557SS.*Hα-helixtrans-74.7-35.4178.943.10000112.6E1451 T1452 S1458E1451-S1455 PolarHBondContact O-N 2.84Å; E1451-S1455 PolarHBondContact O-OG 2.73Å; T1452-S1455 WeakPolarHBondContact CA-OG 3.39Å; T1452-S1455 PolarHBondContact O-N 2.87Å; T1452-S1455 PolarHBondContact O-OG 2.89Å; S1455-S1458 PolarHBondContact O-N 3.14Å; S1455-S1458 PolarHBondContact O-OG 3.49Å
1456L37.8Very low36.2Very low82 Ų8295 Ų9543%0.42958%0.579SS.*Hα-helixtrans-82.7-33177.2-87141000114.7T1452 S1458 M1459 V1460T1452-L1456 HydrophobicContact CG2-CD1 3.81Å; T1452-L1456 PolarHBondContact O-N 2.98Å; L1456-S1458 PolarHBondContact O-N 2.82Å; L1456-M1459 PolarHBondContact O-N 3.33Å; L1456-V1460 PolarHBondContact O-N 3.13Å
1457S31.5Very low35.8Very low74 Ų7496.6 Ų96.652%0.51760%0.597SS.*Hα-helixtrans-65.9-19.3170.1-60.20000112.2V1453V1453-S1457 WeakPolarHBondContact O-CB 3.4Å; V1453-S1457 PolarHBondContact O-N 2.89Å; V1453-S1457 PolarHBondContact O-OG 3.34Å
1458S35.2Very low35.2Very low96 Ų96100.1 Ų100.167%0.67160%0.6SS**THydrogen-bonded Turntrans-81.1-15.5170.277.40000113.7K1454 S1455 L1456K1454-S1458 WeakPolarHBondContact O-CB 3.41Å; K1454-S1458 PolarHBondContact O-N 2.95Å; K1454-S1458 PolarHBondContact O-OG 3.32Å; S1455-S1458 PolarHBondContact O-N 3.14Å; S1455-S1458 PolarHBondContact O-OG 3.49Å; L1456-S1458 PolarHBondContact O-N 2.82Å
1459M29.3Very low34.8Very low149 Ų149102.1 Ų102.173%0.73461%0.609SS**THydrogen-bonded Turntrans-94.4-24.7178.3-67.7-172.179.800113.5L1456L1456-M1459 PolarHBondContact O-N 3.33Å
1460V30Very low35Very low125 Ų12598.6 Ų98.676%0.75860%0.604SS**SBendtrans-146.3107.4178-169.10000110.3L1456L1456-V1460 PolarHBondContact O-N 3.13Å
1461G27.2Very low35.2Very low76 Ų7699.8 Ų99.878%0.78461%0.606SS**  trans127.346.316300000116.3
1462G29.2Very low35.2Very low77 Ų7796.3 Ų96.379%0.79459%0.592SS**  trans-133.939173.800000114
1463S29.7Very low35.3Very low111 Ų11197.3 Ų97.378%0.77660%0.598SS**SBendtrans-144.8104.3158.7-171.10000110.8
1464N34.3Very low35.7Very low139 Ų13995.5 Ų95.574%0.74359%0.585SS**  trans-24.1141.6167.9-90.6-10.9000116.4N1466N1464-N1466 PolarHBondContact O-N 3.42Å
1465T34.2Very low36.1Very low91 Ų9195.5 Ų95.556%0.55859%0.585SS**SBendtrans1999.8139.644.50000115.6
1466N35.4Very low36.3Very low134 Ų13499.9 Ų99.972%0.71760%0.602SS**SBendtrans63.389.6170-62.5-24.6000115N1464 F1468N1464-N1466 PolarHBondContact O-N 3.42Å; N1466-F1468 PolarHBondContact O-N 3.37Å
1467S34.1Very low37.1Very low117 Ų117103.9 Ų103.982%0.81861%0.612SS**  trans36.244.8131.7590000115.1N1469S1467-N1469 PolarHBondContact O-N 3.04Å
1468F30.3Very low38.1Very low140 Ų140105.2 Ų105.261%0.61461%0.613SS**  trans-77.689.1170.6-136.3-84.7000104.6N1466 A1470 T1473N1466-F1468 PolarHBondContact O-N 3.37Å; F1468-A1470 VanDerWaalsContact C-N 3.35Å; F1468-A1470 PolarHBondContact O-N 3.19Å; F1468-T1473 HydrophobicContact CD1-CG2 3.42Å; F1468-T1473 VanDerWaalsContact CD1-CG2 3.42Å; F1468-T1473 HydrophobicContact CE1-CG2 3.9Å; F1468-T1473 HydrophobicContact CG-CG2 4.26Å; F1468-T1473 PolarHBondContact O-OG1 3.25Å
1469N36.3Very low38.9Very low88 Ų88102 Ų10247%0.47159%0.591SS.*  trans-22.696.6168.6-169.5-8.5000109S1467 S1471 I1472 T1473S1467-N1469 PolarHBondContact O-N 3.04Å; N1469-S1471 VanDerWaalsContact CG-OG 3.25Å; N1469-S1471 PolarHBondContact ND2-OG 3.26Å; N1469-S1471 PolarHBondContact O-N 3.12Å; N1469-S1471 WeakPolarHBondContact OD1-CB 3.32Å; N1469-S1471 PolarHBondContact OD1-N 2.88Å; N1469-S1471 PolarHBondContact OD1-OG 3.4Å; N1469-I1472 PolarHBondContact O-N 3.39Å; N1469-T1473 PolarHBondContact O-N 2.96Å; N1469-T1473 PolarHBondContact O-OG1 3.18Å
1470A41Very low39.8Very low56 Ų56105 Ų10546%0.46360%0.599SS.*Hα-helixtrans-56.8-16.6-177.700000110.6F1468 I1472 D1474F1468-A1470 VanDerWaalsContact C-N 3.35Å; F1468-A1470 PolarHBondContact O-N 3.19Å; A1470-I1472 VanDerWaalsContact C-N 3.31Å; A1470-I1472 PolarHBondContact O-N 3.25Å; A1470-D1474 WeakPolarHBondContact O-CB 3.46Å; A1470-D1474 PolarHBondContact O-N 3.41Å
1471S44Very low40.7Very low66 Ų66106.7 Ų106.746%0.46260%0.604SS.*Hα-helixtrans-70.6-15.5171.378.50000115.9N1469 K1475N1469-S1471 VanDerWaalsContact CG-OG 3.25Å; N1469-S1471 PolarHBondContact ND2-OG 3.26Å; N1469-S1471 PolarHBondContact O-N 3.12Å; N1469-S1471 WeakPolarHBondContact OD1-CB 3.32Å; N1469-S1471 PolarHBondContact OD1-N 2.88Å; N1469-S1471 PolarHBondContact OD1-OG 3.4Å; S1471-K1475 WeakPolarHBondContact O-CE 3.2Å
1472I42.1Very low41.6Very low79 Ų79109 Ų10941%0.40559%0.592SS.*Hα-helixtrans-109.3-35.8175.7-58.5178.1000111.3N1469 A1470 K1475 M1476N1469-I1472 PolarHBondContact O-N 3.39Å; A1470-I1472 VanDerWaalsContact C-N 3.31Å; A1470-I1472 PolarHBondContact O-N 3.25Å; I1472-K1475 CarbonylContact O-C 3.58Å; I1472-K1475 WeakPolarHBondContact O-CA 3.24Å; I1472-K1475 WeakPolarHBondContact O-CB 3.34Å; I1472-K1475 PolarHBondContact O-N 3.41Å; I1472-M1476 HydrophobicContact CG2-CE 4.45Å; I1472-M1476 PolarHBondContact O-N 3.48Å
1473T41.6Very low42.3Very low35 Ų35112.1 Ų112.122%0.21559%0.591CS.*Hα-helixtrans-68.4-35.9172.2100000112.1F1468 N1469 K1475 M1476 Y1477F1468-T1473 HydrophobicContact CD1-CG2 3.42Å; F1468-T1473 VanDerWaalsContact CD1-CG2 3.42Å; F1468-T1473 HydrophobicContact CE1-CG2 3.9Å; F1468-T1473 HydrophobicContact CG-CG2 4.26Å; F1468-T1473 PolarHBondContact O-OG1 3.25Å; N1469-T1473 PolarHBondContact O-N 2.96Å; N1469-T1473 PolarHBondContact O-OG1 3.18Å; T1473-K1475 PolarHBondContact O-N 3.04Å; T1473-M1476 PolarHBondContact O-N 3.43Å; T1473-Y1477 HydrophobicContact CG2-CD2 3.83Å; T1473-Y1477 HydrophobicContact CG2-CE2 4.47Å; T1473-Y1477 PolarHBondContact O-N 3.17Å; T1473-Y1477 VanDerWaalsContact O-N 3.1Å; T1473-Y1477 VanDerWaalsContact O-O 3.04Å
1474D48.5Very low43.3Very low47 Ų47109.3 Ų109.325%0.25157%0.567SS.*THydrogen-bonded Turntrans-60.40.6165.6-75-16.1000112.1A1470 S1479 K1482A1470-D1474 WeakPolarHBondContact O-CB 3.46Å; A1470-D1474 PolarHBondContact O-N 3.41Å; D1474-S1479 WeakPolarHBondContact OD1-CB 3.39Å; D1474-S1479 PolarHBondContact OD1-OG 2.72Å; D1474-K1482 IonicContact OD2-NZ 3.9Å; D1474-K1482 PolarHBondContact OD2-NZ 3.44Å
1475K47.3Very low44Very low172 Ų172108.3 Ų108.375%0.74857%0.566SS**THydrogen-bonded Turntrans-118.4-11173.9-60.9-176.9-178.2174.60115S1471 I1472 T1473S1471-K1475 WeakPolarHBondContact O-CE 3.2Å; I1472-K1475 CarbonylContact O-C 3.58Å; I1472-K1475 WeakPolarHBondContact O-CA 3.24Å; I1472-K1475 WeakPolarHBondContact O-CB 3.34Å; I1472-K1475 PolarHBondContact O-N 3.41Å; T1473-K1475 PolarHBondContact O-N 3.04Å
1476M44.3Very low44.9Very low143 Ų143106.7 Ų106.770%0.70456%0.561SS**THydrogen-bonded Turntrans-121.5-26.1-174.9-70.6-160.2-178.400114.4I1472 T1473I1472-M1476 HydrophobicContact CG2-CE 4.45Å; I1472-M1476 PolarHBondContact O-N 3.48Å; T1473-M1476 PolarHBondContact O-N 3.43Å
1477Y53.5Low45.4Very low166 Ų166110.6 Ų110.665%0.65157%0.572SS**SBendtrans-130.8137179.7-65.8-85.7000108.3T1473 S1479T1473-Y1477 HydrophobicContact CG2-CD2 3.83Å; T1473-Y1477 HydrophobicContact CG2-CE2 4.47Å; T1473-Y1477 PolarHBondContact O-N 3.17Å; T1473-Y1477 VanDerWaalsContact O-N 3.1Å; T1473-Y1477 VanDerWaalsContact O-O 3.04Å; Y1477-S1479 PolarHBondContact O-N 3.24Å
1478L53.8Low46.1Very low102 Ų102107.8 Ų107.853%0.53456%0.562SS.*  trans-49.1107.2174-75.4165000110.2D1484 A1486L1478-D1484 VanDerWaalsContact CA-OD2 3.28Å; L1478-D1484 WeakPolarHBondContact CA-OD2 3.32Å; L1478-D1484 HydrophobicContact CD2-CB 4.09Å; L1478-D1484 WeakPolarHBondContact CD2-O 3.11Å; L1478-A1486 HydrophobicContact CD1-CB 3.89Å; L1478-A1486 HydrophobicContact CD2-CB 4.12Å; L1478-A1486 VanDerWaalsContact CD2-N 3.3Å; L1478-A1486 HydrophobicContact CG-CB 3.96Å
1479S50.6Low46.9Very low29 Ų29108 Ų10820%0.20358%0.575CS.*  trans-57.3139.8177.1-1680000111.4D1474 Y1477 K1482 D1484D1474-S1479 WeakPolarHBondContact OD1-CB 3.39Å; D1474-S1479 PolarHBondContact OD1-OG 2.72Å; Y1477-S1479 PolarHBondContact O-N 3.24Å; S1479-K1482 WeakPolarHBondContact CB-O 3.38Å; S1479-D1484 VanDerWaalsContact N-CB 3.28Å; S1479-D1484 PolarHBondContact N-OD2 2.93Å
1480K48.4Very low47.5Very low211 Ų211108.2 Ų108.292%0.91758%0.579SS**SBendtrans-97.6-13.2175-68.9-175178.9-1760113.3
1481L48.3Very low48.3Very low162 Ų162108.9 Ų108.985%0.84858%0.578SS**SBendtrans-100.1-15.2-178.6-66.4171.4000112.3
1482K46.9Very low48.8Very low124 Ų124113.1 Ų113.154%0.53958%0.584SS.*SBendtrans-146.5147.2-178.3-49.8178.9-165.8155.70108.4D1474 S1479 D1484D1474-K1482 IonicContact OD2-NZ 3.9Å; D1474-K1482 PolarHBondContact OD2-NZ 3.44Å; S1479-K1482 WeakPolarHBondContact CB-O 3.38Å; K1482-D1484 PolarHBondContact O-N 2.99Å
1483D43.6Very low49.7Very low143 Ų143116.6 Ų116.677%0.76560%0.598SS**  trans-57.3123.4175.7-69.3-10.4000110.4R1552D1483-R1552 IonicContact OD2-NH1 2.95Å
1484D50.1Low50.7Low52 Ų52122 Ų12228%0.27862%0.618SS.*  trans-132.4158.1179.3-166.11.4000111.1L1478 S1479 K1482L1478-D1484 VanDerWaalsContact CA-OD2 3.28Å; L1478-D1484 WeakPolarHBondContact CA-OD2 3.32Å; L1478-D1484 HydrophobicContact CD2-CB 4.09Å; L1478-D1484 WeakPolarHBondContact CD2-O 3.11Å; S1479-D1484 VanDerWaalsContact N-CB 3.28Å; S1479-D1484 PolarHBondContact N-OD2 2.93Å; K1482-D1484 PolarHBondContact O-N 2.99Å
1485T50.5Low50.9Low117 Ų117122 Ų12272%0.71862%0.621SS**  trans-131.7120-176-57.70000111.7K1487T1485-K1487 PolarHBondContact O-N 3.26Å
1486A52.5Low51.2Low57 Ų57117 Ų11747%0.47160%0.6SS.*  trans-70.9123.9-179.200000112.1L1478L1478-A1486 HydrophobicContact CD1-CB 3.89Å; L1478-A1486 HydrophobicContact CD2-CB 4.12Å; L1478-A1486 VanDerWaalsContact CD2-N 3.3Å; L1478-A1486 HydrophobicContact CG-CB 3.96Å
1487K45.6Very low52.1Low216 Ų216118 Ų11894%0.93960%0.6SS**  trans-95.294.8171.5-70.9-174.8179.2177.90110.4T1485T1485-K1487 PolarHBondContact O-N 3.26Å
1488G49.3Very low52.6Low59 Ų59117 Ų11761%0.60860%0.6SS**SBendtrans148.9157.3172.400000114V1490G1488-V1490 PolarHBondContact O-N 3.16Å
1489T47.2Very low52.7Low144 Ų144113 Ų11388%0.88358%0.579SS**  trans-66.8114.7-178.9-46.60000110.9
1490V49.5Very low52.8Low93 Ų93118.5 Ų118.556%0.56460%0.601SS**  trans-82.9126.1171.3-176.70000108.7G1488 K1494 V1495G1488-V1490 PolarHBondContact O-N 3.16Å; V1490-K1494 HydrophobicContact CG1-CB 4.32Å; V1490-V1495 HydrophobicContact CG1-CG2 3.86Å
1491T57.2Low53Low70 Ų70111.5 Ų111.543%0.42959%0.589SS.*  trans-83.5150.3-178.255.30000112.1E1493 K1494 V1495T1491-E1493 VanDerWaalsContact C-N 3.33Å; T1491-E1493 PolarHBondContact O-N 3.45Å; T1491-K1494 WeakPolarHBondContact O-CB 3.29Å; T1491-K1494 PolarHBondContact O-N 3.3Å; T1491-K1494 WeakPolarHBondContact OG1-CG 3.44Å; T1491-V1495 PolarHBondContact O-N 3.45Å
1492W53.9Low53.1Low155 Ų155106.6 Ų106.659%0.58756%0.563SS**Hα-helixtrans-54.8-40.9-177.6-173.4-115.1000114.1K1494 V1495 Q1496 W1511W1492-K1494 VanDerWaalsContact C-N 3.31Å; W1492-K1494 PolarHBondContact O-N 3.2Å; W1492-V1495 WeakPolarHBondContact O-CB 3.38Å; W1492-V1495 PolarHBondContact O-N 3.41Å; W1492-V1495 VanDerWaalsContact O-N 3.14Å; W1492-Q1496 PolarHBondContact O-N 3.04Å; W1492-W1511 AromaticContact CH2-CH2 3.2Å; W1492-W1511 HydrophobicContact CH2-CH2 3.2Å; W1492-W1511 HydrophobicContact CH2-CZ2 4.15Å; W1492-W1511 AromaticContact CH2-CZ3 3.58Å; W1492-W1511 HydrophobicContact CH2-CZ3 3.58Å; W1492-W1511 AromaticContact CZ2-CH2 3.48Å; W1492-W1511 HydrophobicContact CZ2-CH2 3.48Å; W1492-W1511 VanDerWaalsContact CZ2-CH2 3.48Å; W1492-W1511 HydrophobicContact CZ2-CZ2 4.08Å; W1492-W1511 AromaticContact CZ2-CZ3 3.8Å; W1492-W1511 HydrophobicContact CZ2-CZ3 3.8Å; W1492-W1511 HydrophobicContact CZ3-CH2 4.08Å
1493E61.6Low53.4Low152 Ų152108.6 Ų108.671%0.7158%0.58SS**Hα-helixtrans-63.6-33.1175.7-77.4171.4141.200113.3T1491 V1495 K1497T1491-E1493 VanDerWaalsContact C-N 3.33Å; T1491-E1493 PolarHBondContact O-N 3.45Å; E1493-V1495 VanDerWaalsContact C-N 3.34Å; E1493-K1497 PolarHBondContact O-N 2.97Å; E1493-K1497 VanDerWaalsContact O-N 3.12Å
1494K61.9Low53.6Low147 Ų147103 Ų10364%0.63955%0.549SS*.Hα-helixtrans-71.5-33.1175.5-76.1-177.7177.3-179.50111.3V1490 T1491 W1492 F1498V1490-K1494 HydrophobicContact CG1-CB 4.32Å; T1491-K1494 WeakPolarHBondContact O-CB 3.29Å; T1491-K1494 PolarHBondContact O-N 3.3Å; T1491-K1494 WeakPolarHBondContact OG1-CG 3.44Å; W1492-K1494 VanDerWaalsContact C-N 3.31Å; W1492-K1494 PolarHBondContact O-N 3.2Å; K1494-F1498 VanDerWaalsContact O-CB 3.3Å; K1494-F1498 WeakPolarHBondContact O-CB 3.49Å; K1494-F1498 PolarHBondContact O-N 3.01Å
1495V54.1Low53.2Low49 Ų49102.6 Ų102.630%0.29756%0.558SS.*Hα-helixtrans-65.9-47.8174179.80000110.4V1490 T1491 W1492 E1493 K1497 F1498 L1499V1490-V1495 HydrophobicContact CG1-CG2 3.86Å; T1491-V1495 PolarHBondContact O-N 3.45Å; W1492-V1495 WeakPolarHBondContact O-CB 3.38Å; W1492-V1495 PolarHBondContact O-N 3.41Å; W1492-V1495 VanDerWaalsContact O-N 3.14Å; E1493-V1495 VanDerWaalsContact C-N 3.34Å; V1495-K1497 PolarHBondContact O-N 3.39Å; V1495-F1498 PolarHBondContact O-N 3.08Å; V1495-L1499 HydrophobicContact CG1-CD1 3.75Å; V1495-L1499 HydrophobicContact CG1-CG 4.48Å; V1495-L1499 WeakPolarHBondContact O-CD1 3.08Å; V1495-L1499 VanDerWaalsContact O-CG 3.29Å; V1495-L1499 WeakPolarHBondContact O-CG 3.43Å; V1495-L1499 PolarHBondContact O-N 3Å
1496Q53.1Low53.1Low67 Ų67106.6 Ų106.631%0.31357%0.568SS.*Hα-helixtrans-60.1-44.8178-72.6-174-63.200112.8W1492 L1499 Q1500 W1511W1492-Q1496 PolarHBondContact O-N 3.04Å; Q1496-L1499 PolarHBondContact O-N 3.48Å; Q1496-Q1500 WeakPolarHBondContact O-CG 3.49Å; Q1496-Q1500 PolarHBondContact O-N 2.74Å; Q1496-W1511 HydrophobicContact CG-CZ2 3.96Å
1497K62.6Low52.8Low162 Ų162106.5 Ų106.570%0.70457%0.573SS**Hα-helixtrans-65.3-38.3176.9-83.5-170.4173.5-1770113.2E1493 V1495 L1499 G1501E1493-K1497 PolarHBondContact O-N 2.97Å; E1493-K1497 VanDerWaalsContact O-N 3.12Å; V1495-K1497 PolarHBondContact O-N 3.39Å; K1497-L1499 VanDerWaalsContact C-N 3.31Å; K1497-G1501 PolarHBondContact O-N 3.48Å; K1497-G1501 VanDerWaalsContact O-N 3.13Å
1498F63.5Low52.9Low147 Ų14798.7 Ų98.765%0.64554%0.541SS*.Hα-helixtrans-62-42.1176.2177.2-104.3000111.3K1494 V1495 G1501 L1502K1494-F1498 VanDerWaalsContact O-CB 3.3Å; K1494-F1498 WeakPolarHBondContact O-CB 3.49Å; K1494-F1498 PolarHBondContact O-N 3.01Å; V1495-F1498 PolarHBondContact O-N 3.08Å; F1498-G1501 PolarHBondContact O-N 3.09Å; F1498-L1502 HydrophobicContact CE1-CD1 4.34Å; F1498-L1502 PolarHBondContact O-N 3.22Å
1499L56.9Low52.8Low18 Ų1897.6 Ų97.69%0.09453%0.53CS..Hα-helixtrans-72.8-39.5-179.9-66.3165.4000113.1V1495 Q1496 K1497 G1501 L1502 W1511 L1517 L1519V1495-L1499 HydrophobicContact CG1-CD1 3.75Å; V1495-L1499 HydrophobicContact CG1-CG 4.48Å; V1495-L1499 WeakPolarHBondContact O-CD1 3.08Å; V1495-L1499 VanDerWaalsContact O-CG 3.29Å; V1495-L1499 WeakPolarHBondContact O-CG 3.43Å; V1495-L1499 PolarHBondContact O-N 3Å; Q1496-L1499 PolarHBondContact O-N 3.48Å; K1497-L1499 VanDerWaalsContact C-N 3.31Å; L1499-G1501 PolarHBondContact O-N 3.27Å; L1499-L1502 HydrophobicContact CD2-CD1 4.1Å; L1499-L1502 PolarHBondContact O-N 2.91Å; L1499-W1511 HydrophobicContact CD1-CH2 4.5Å; L1499-W1511 HydrophobicContact CD1-CZ2 3.97Å; L1499-L1517 HydrophobicContact CB-CD2 4.46Å; L1499-L1517 HydrophobicContact CD1-CD1 3.72Å; L1499-L1517 HydrophobicContact CD1-CD2 3.35Å; L1499-L1517 HydrophobicContact CD1-CG 4.19Å; L1499-L1517 HydrophobicContact CD2-CD2 3.52Å; L1499-L1517 HydrophobicContact CG-CD2 3.91Å; L1499-L1519 HydrophobicContact CD2-CD2 4.18Å
1500Q51.9Low53.1Low144 Ų14495 Ų9567%0.67351%0.514SS*.Hα-helixtrans-62.8-28.2172.7-78.1178.6-15.100112.9Q1496Q1496-Q1500 WeakPolarHBondContact O-CG 3.49Å; Q1496-Q1500 PolarHBondContact O-N 2.74Å
1501G53.7Low53.2Low64 Ų6494.1 Ų94.166%0.6650%0.501SS*.THydrogen-bonded Turntrans-79.8-14.5177.800000114.4K1497 F1498 L1499 N1503K1497-G1501 PolarHBondContact O-N 3.48Å; K1497-G1501 VanDerWaalsContact O-N 3.13Å; F1498-G1501 PolarHBondContact O-N 3.09Å; L1499-G1501 PolarHBondContact O-N 3.27Å; G1501-N1503 PolarHBondContact O-N 3.28Å
1502L49.7Very low52.9Low59 Ų5993.2 Ų93.231%0.30950%0.498SS..SBendtrans-73.9110.9167.4-70.2163000106.1F1498 L1499 I1504 L1519F1498-L1502 HydrophobicContact CE1-CD1 4.34Å; F1498-L1502 PolarHBondContact O-N 3.22Å; L1499-L1502 HydrophobicContact CD2-CD1 4.1Å; L1499-L1502 PolarHBondContact O-N 2.91Å; L1502-I1504 HydrophobicContact CB-CD1 3.69Å; L1502-I1504 HydrophobicContact CB-CG1 3.63Å; L1502-I1504 HydrophobicContact CD1-CD1 4.42Å; L1502-I1504 WeakPolarHBondContact O-CG1 3.49Å; L1502-I1504 PolarHBondContact O-N 3.49Å; L1502-L1519 HydrophobicContact CD1-CD1 3.82Å
1503N53.2Low52.9Low166 Ų16691.6 Ų91.689%0.88852%0.517SS*.  trans-77.663.7-173.3-152.112.4000110.7G1501 G1505G1501-N1503 PolarHBondContact O-N 3.28Å; N1503-G1505 PolarHBondContact O-N 3.42Å; N1503-G1505 VanDerWaalsContact O-N 3.08Å
1504I48.3Very low52.2Low25 Ų2590.6 Ų90.613%0.12852%0.517CS..  trans-79.716.3-166.3-31.8-165.7000113.3L1502 N1508 L1519 L1522L1502-I1504 HydrophobicContact CB-CD1 3.69Å; L1502-I1504 HydrophobicContact CB-CG1 3.63Å; L1502-I1504 HydrophobicContact CD1-CD1 4.42Å; L1502-I1504 WeakPolarHBondContact O-CG1 3.49Å; L1502-I1504 PolarHBondContact O-N 3.49Å; I1504-N1508 HydrophobicContact CB-CB 4.38Å; I1504-N1508 HydrophobicContact CG2-CB 4.23Å; I1504-N1508 WeakPolarHBondContact O-CB 3.49Å; I1504-N1508 PolarHBondContact O-ND2 3.49Å; I1504-L1519 HydrophobicContact CD1-CD1 3.39Å; I1504-L1522 HydrophobicContact CG2-CB 3.98Å; I1504-L1522 HydrophobicContact CG2-CD1 3.85Å; I1504-L1522 HydrophobicContact CG2-CG 4.37Å
1505G41.2Very low51.5Low44 Ų4485.6 Ų85.645%0.45451%0.507SS..  trans78.5149.7-173.700000113.1N1503 G1507 N1508N1503-G1505 PolarHBondContact O-N 3.42Å; N1503-G1505 VanDerWaalsContact O-N 3.08Å; G1505-G1507 PolarHBondContact O-N 2.95Å; G1505-N1508 PolarHBondContact O-N 3.33Å
1506E47.6Very low51Low200 Ų20087.5 Ų87.594%0.93552%0.519SS*.THydrogen-bonded Turntrans-54.1126.6-174.3-73.8-174.314800112.2N1508E1506-N1508 PolarHBondContact O-N 3.18Å
1507G46.7Very low50.7Low55 Ų5586.4 Ų86.457%0.56752%0.515SS*.THydrogen-bonded Turntrans85.6-9177.900000116.3G1505 T1510G1505-G1507 PolarHBondContact O-N 2.95Å; G1507-T1510 PolarHBondContact O-OG1 3.35Å
1508N47.8Very low50.1Low52 Ų5281 Ų8128%0.27850%0.498SS..SBendtrans-96-3.4-179.5-66.4-31.7000114.1I1504 G1505 E1506 S1518I1504-N1508 HydrophobicContact CB-CB 4.38Å; I1504-N1508 HydrophobicContact CG2-CB 4.23Å; I1504-N1508 WeakPolarHBondContact O-CB 3.49Å; I1504-N1508 PolarHBondContact O-ND2 3.49Å; G1505-N1508 PolarHBondContact O-N 3.33Å; E1506-N1508 PolarHBondContact O-N 3.18Å; N1508-S1518 PolarHBondContact O-OG 2.98Å
1509G47.9Very low49.3Very low36 Ų3677.1 Ų77.137%0.37148%0.483SS..SBendtrans-101.42.8173.700000114.2
1510T52.2Low48.8Very low91 Ų9181.1 Ų81.156%0.55850%0.5SS*.PPolyproline II helixtrans-83.7131.7-177.824.70000111.7G1507 S1518G1507-T1510 PolarHBondContact O-OG1 3.35Å; T1510-S1518 PolarHBondContact O-OG 3.06Å
1511W51.6Low48.5Very low73 Ų7382.5 Ų82.528%0.27750%0.499SS..BIsolated β-bridgetrans-62.8133.3169-63.774.8000109.3W1492 Q1496 L1499 G1515 L1517W1492-W1511 AromaticContact CH2-CH2 3.2Å; W1492-W1511 HydrophobicContact CH2-CH2 3.2Å; W1492-W1511 HydrophobicContact CH2-CZ2 4.15Å; W1492-W1511 AromaticContact CH2-CZ3 3.58Å; W1492-W1511 HydrophobicContact CH2-CZ3 3.58Å; W1492-W1511 AromaticContact CZ2-CH2 3.48Å; W1492-W1511 HydrophobicContact CZ2-CH2 3.48Å; W1492-W1511 VanDerWaalsContact CZ2-CH2 3.48Å; W1492-W1511 HydrophobicContact CZ2-CZ2 4.08Å; W1492-W1511 AromaticContact CZ2-CZ3 3.8Å; W1492-W1511 HydrophobicContact CZ2-CZ3 3.8Å; W1492-W1511 HydrophobicContact CZ3-CH2 4.08Å; Q1496-W1511 HydrophobicContact CG-CZ2 3.96Å; L1499-W1511 HydrophobicContact CD1-CH2 4.5Å; L1499-W1511 HydrophobicContact CD1-CZ2 3.97Å; W1511-G1515 VanDerWaalsContact CE3-O 3.27Å; W1511-G1515 VanDerWaalsContact CZ3-O 3.29Å; W1511-G1515 WeakPolarHBondContact CZ3-O 3.33Å; W1511-L1517 HydrophobicContact CD2-CD1 3.47Å; W1511-L1517 VanDerWaalsContact CD2-CD1 3.47Å; W1511-L1517 HydrophobicContact CE3-CB 4.48Å; W1511-L1517 HydrophobicContact CE3-CD1 3.89Å; W1511-L1517 HydrophobicContact CG-CD1 3.99Å; W1511-L1517 HydrophobicContact CH2-CD1 3.8Å; W1511-L1517 HydrophobicContact CZ2-CD1 3.41Å; W1511-L1517 VanDerWaalsContact CZ2-CD1 3.41Å; W1511-L1517 HydrophobicContact CZ3-CB 4.42Å; W1511-L1517 HydrophobicContact CZ3-CD1 4.04Å
1512S52.1Low48.3Very low52 Ų5283.6 Ų83.636%0.36449%0.489SS..PPolyproline II helixtrans-62.2156.9165.357.70000109.7D1514 G1515 T1516S1512-D1514 VanDerWaalsContact CB-OD1 3.26Å; S1512-D1514 WeakPolarHBondContact CB-OD1 3.49Å; S1512-D1514 PolarHBondContact O-N 3.49Å; S1512-D1514 PolarHBondContact OG-OD1 3.37Å; S1512-G1515 PolarHBondContact O-N 3.12Å; S1512-T1516 PolarHBondContact N-O 3.09Å; S1512-T1516 WeakPolarHBondContact OG-CA 3.34Å; S1512-T1516 WeakPolarHBondContact OG-CB 3.46Å; S1512-T1516 PolarHBondContact OG-N 3.42Å; S1512-T1516 PolarHBondContact OG-O 2.89Å; S1512-T1516 PolarHBondContact OG-OG1 3.18Å
1513A54.1Low48.2Very low121 Ų12187.1 Ų87.1100%151%0.508SS*.THydrogen-bonded Turntrans-61.3-18.6-175.500000113.7
1514D46.3Very low48.1Very low130 Ų13080.2 Ų80.270%0.69547%0.472SS*.THydrogen-bonded Turntrans-93.71.7174.463.2-7.6000114.1S1512 T1516S1512-D1514 VanDerWaalsContact CB-OD1 3.26Å; S1512-D1514 WeakPolarHBondContact CB-OD1 3.49Å; S1512-D1514 PolarHBondContact O-N 3.49Å; S1512-D1514 PolarHBondContact OG-OD1 3.37Å; D1514-T1516 PolarHBondContact OD1-OG1 2.71Å; D1514-T1516 VanDerWaalsContact OD1-OG1 3.08Å
1515G46.4Very low48.3Very low43 Ų4385.7 Ų85.744%0.44350%0.501SS..SBendtrans92.320.1171.200000115.3W1511 S1512W1511-G1515 VanDerWaalsContact CE3-O 3.27Å; W1511-G1515 VanDerWaalsContact CZ3-O 3.29Å; W1511-G1515 WeakPolarHBondContact CZ3-O 3.33Å; S1512-G1515 PolarHBondContact O-N 3.12Å
1516T45Very low49.1Very low88 Ų8890.2 Ų90.254%0.5452%0.515SS..  trans-97.8143.1175.9-170000111.2S1512 D1514S1512-T1516 PolarHBondContact N-O 3.09Å; S1512-T1516 WeakPolarHBondContact OG-CA 3.34Å; S1512-T1516 WeakPolarHBondContact OG-CB 3.46Å; S1512-T1516 PolarHBondContact OG-N 3.42Å; S1512-T1516 PolarHBondContact OG-O 2.89Å; S1512-T1516 PolarHBondContact OG-OG1 3.18Å; D1514-T1516 PolarHBondContact OD1-OG1 2.71Å; D1514-T1516 VanDerWaalsContact OD1-OG1 3.08Å
1517L45.5Very low50Low45 Ų4582.9 Ų82.924%0.23648%0.48CS..BIsolated β-bridgetrans-109.4123-166.9-163.194.9000111.4L1499 W1511 L1519L1499-L1517 HydrophobicContact CB-CD2 4.46Å; L1499-L1517 HydrophobicContact CD1-CD1 3.72Å; L1499-L1517 HydrophobicContact CD1-CD2 3.35Å; L1499-L1517 HydrophobicContact CD1-CG 4.19Å; L1499-L1517 HydrophobicContact CD2-CD2 3.52Å; L1499-L1517 HydrophobicContact CG-CD2 3.91Å; W1511-L1517 HydrophobicContact CD2-CD1 3.47Å; W1511-L1517 VanDerWaalsContact CD2-CD1 3.47Å; W1511-L1517 HydrophobicContact CE3-CB 4.48Å; W1511-L1517 HydrophobicContact CE3-CD1 3.89Å; W1511-L1517 HydrophobicContact CG-CD1 3.99Å; W1511-L1517 HydrophobicContact CH2-CD1 3.8Å; W1511-L1517 HydrophobicContact CZ2-CD1 3.41Å; W1511-L1517 VanDerWaalsContact CZ2-CD1 3.41Å; W1511-L1517 HydrophobicContact CZ3-CB 4.42Å; W1511-L1517 HydrophobicContact CZ3-CD1 4.04Å; L1517-L1519 HydrophobicContact CD2-CB 3.88Å; L1517-L1519 PolarHBondContact O-N 2.93Å
1518S50Low51.2Low48 Ų4882.7 Ų82.734%0.33647%0.47SS..G310 helixtrans-75.823.4-174.238.20000116.1N1508 T1510 F1520 R1521N1508-S1518 PolarHBondContact O-OG 2.98Å; T1510-S1518 PolarHBondContact O-OG 3.06Å; S1518-F1520 PolarHBondContact O-N 3.36Å; S1518-R1521 PolarHBondContact O-N 3.49Å
1519L46.9Very low52.6Low66 Ų6684.3 Ų84.335%0.34649%0.486SS..G310 helixtrans-59.1-19.5178.1-172.667.5000113.4L1499 L1502 I1504 L1517 R1521 L1522L1499-L1519 HydrophobicContact CD2-CD2 4.18Å; L1502-L1519 HydrophobicContact CD1-CD1 3.82Å; I1504-L1519 HydrophobicContact CD1-CD1 3.39Å; L1517-L1519 HydrophobicContact CD2-CB 3.88Å; L1517-L1519 PolarHBondContact O-N 2.93Å; L1519-R1521 PolarHBondContact O-N 3.48Å; L1519-L1522 PolarHBondContact O-N 2.83Å
1520F45.8Very low53.4Low102 Ų10284 Ų8445%0.44748%0.482SS..G310 helixtrans-61.9-22.2-177-91.4-71.6000115S1518 I1538S1518-F1520 PolarHBondContact O-N 3.36Å; F1520-I1538 HydrophobicContact CD1-CB 3.57Å; F1520-I1538 HydrophobicContact CD1-CD1 4.07Å; F1520-I1538 HydrophobicContact CD1-CG1 4.38Å; F1520-I1538 HydrophobicContact CD1-CG2 3.53Å; F1520-I1538 HydrophobicContact CE1-CB 3.87Å; F1520-I1538 HydrophobicContact CE1-CD1 3.69Å; F1520-I1538 HydrophobicContact CE1-CG1 4.37Å; F1520-I1538 HydrophobicContact CE1-CG2 3.49Å; F1520-I1538 VanDerWaalsContact CE1-CG2 3.49Å; F1520-I1538 HydrophobicContact CG-CG2 4.38Å; F1520-I1538 HydrophobicContact CZ-CG2 4.33Å
1521R47.1Very low54Low172 Ų17285.8 Ų85.865%0.64950%0.495SS*.G310 helixtrans-75-20.5177.1-90.3-175.6179.7165.61.1115.2S1518 L1519 L1523 T1524S1518-R1521 PolarHBondContact O-N 3.49Å; L1519-R1521 PolarHBondContact O-N 3.48Å; R1521-L1523 VanDerWaalsContact C-N 3.26Å; R1521-L1523 PolarHBondContact O-N 3.5Å; R1521-T1524 PolarHBondContact O-N 2.81Å; R1521-T1524 PolarHBondContact O-OG1 3.39Å
1522L48.1Very low54.8Low87 Ų8793.3 Ų93.346%0.45553%0.525SS..G310 helixtrans-68.4-24.2-174.3-173.670.7000113I1504 L1519 T1524I1504-L1522 HydrophobicContact CG2-CB 3.98Å; I1504-L1522 HydrophobicContact CG2-CD1 3.85Å; I1504-L1522 HydrophobicContact CG2-CG 4.37Å; L1519-L1522 PolarHBondContact O-N 2.83Å; L1522-T1524 PolarHBondContact O-N 3.02Å
1523L49.1Very low55.6Low134 Ų13491.5 Ų91.570%0.70252%0.515SS*.G310 helixtrans-78.6-2.3-178-73.2167.8000114.1R1521R1521-L1523 VanDerWaalsContact C-N 3.26Å; R1521-L1523 PolarHBondContact O-N 3.5Å
1524T50.1Low56.6Low20 Ų2091.9 Ų91.912%0.12350%0.496CS..G310 helixtrans-122.511.7-15783.10000115R1521 L1522 N1526 F1527 A1536 Q1537R1521-T1524 PolarHBondContact O-N 2.81Å; R1521-T1524 PolarHBondContact O-OG1 3.39Å; L1522-T1524 PolarHBondContact O-N 3.02Å; T1524-N1526 PolarHBondContact O-N 2.6Å; T1524-F1527 VanDerWaalsContact O-CB 3.26Å; T1524-F1527 WeakPolarHBondContact O-CB 3.44Å; T1524-F1527 PolarHBondContact O-N 3.1Å; T1524-A1536 WeakPolarHBondContact CA-O 3.5Å; T1524-A1536 WeakPolarHBondContact CB-O 3.31Å; T1524-A1536 VanDerWaalsContact CG2-O 3.23Å; T1524-A1536 WeakPolarHBondContact CG2-O 3.5Å; T1524-Q1537 VanDerWaalsContact CG2-CA 3.5Å; T1524-Q1537 HydrophobicContact CG2-CB 3.97Å; T1524-Q1537 HydrophobicContact CG2-CG 4.04Å
1525N53.5Low58Low141 Ų14187.1 Ų87.175%0.75448%0.478SS*.THydrogen-bonded Turntrans-66.9-6.7-174.6-87-3.5000115.6
1526N58.4Low59.3Low139 Ų13986.7 Ų86.774%0.74347%0.47SS*.THydrogen-bonded Turntrans-120.528.7170.7-72.3-6.3000112T1524 Q1534T1524-N1526 PolarHBondContact O-N 2.6Å; N1526-Q1534 CarbonylContact O-C 3.48Å
1527F66.3Low60.5Low46 Ų4686.1 Ų86.120%0.20246%0.461CS..  trans-85.7129.8178.7175.5-103.7000111.8T1524 S1529 Q1534 Q1537 E1545T1524-F1527 VanDerWaalsContact O-CB 3.26Å; T1524-F1527 WeakPolarHBondContact O-CB 3.44Å; T1524-F1527 PolarHBondContact O-N 3.1Å; F1527-S1529 VanDerWaalsContact CZ-CA 3.46Å; F1527-Q1534 CarbonylContact C-O 3.5Å; F1527-Q1534 VanDerWaalsContact CA-O 3.25Å; F1527-Q1534 WeakPolarHBondContact CA-O 3.44Å; F1527-Q1537 HydrophobicContact CB-CB 4.13Å; F1527-Q1537 HydrophobicContact CD1-CB 3.6Å; F1527-Q1537 HydrophobicContact CD1-CG 4.33Å; F1527-Q1537 HydrophobicContact CD2-CB 3.74Å; F1527-Q1537 HydrophobicContact CE1-CB 3.79Å; F1527-Q1537 HydrophobicContact CE1-CG 4.41Å; F1527-Q1537 HydrophobicContact CE2-CB 3.95Å; F1527-Q1537 HydrophobicContact CG-CB 3.53Å; F1527-Q1537 HydrophobicContact CZ-CB 3.94Å; F1527-E1545 HydrophobicContact CE2-CB 3.8Å; F1527-E1545 HydrophobicContact CE2-CG 3.75Å; F1527-E1545 HydrophobicContact CZ-CB 3.93Å; F1527-E1545 VanDerWaalsContact CZ-CD 3.42Å; F1527-E1545 HydrophobicContact CZ-CG 3.97Å; F1527-E1545 VanDerWaalsContact CZ-OE2 3.27Å; F1527-E1545 WeakPolarHBondContact CZ-OE2 3.4Å
1528S70.9Confident61.5Low50 Ų5085.6 Ų85.635%0.3546%0.458SS..  trans-127.2125.5165300000106.8G1533 Q1534S1528-G1533 CarbonylContact O-C 3.56Å; S1528-G1533 WeakPolarHBondContact O-CA 3.49Å; S1528-Q1534 PolarHBondContact N-O 3.39Å; S1528-Q1534 PolarHBondContact O-N 3.49Å; S1528-Q1534 WeakPolarHBondContact OG-CG 3.15Å; S1528-Q1534 PolarHBondContact OG-N 3.12Å; S1528-Q1534 PolarHBondContact OG-O 2.88Å
1529S77.8Confident62.2Low87 Ų8785.7 Ų85.761%0.60846%0.455SS*.  trans-76.4153.3-176-176.90000111.9F1527 E1545F1527-S1529 VanDerWaalsContact CZ-CA 3.46Å; S1529-E1545 WeakPolarHBondContact CA-OE1 3.46Å; S1529-E1545 PolarHBondContact OG-OE1 2.81Å; S1529-E1545 PolarHBondContact OG-OE2 2.91Å
1530G65.2Low62.6Low29 Ų2991.7 Ų91.730%0.29948%0.481SS..SBendtrans124.5168.2174.100000112.9Y1532 G1533 E1545G1530-Y1532 PolarHBondContact O-N 3.14Å; G1530-Y1532 VanDerWaalsContact O-N 3.07Å; G1530-G1533 WeakPolarHBondContact O-CA 3.38Å; G1530-G1533 PolarHBondContact O-N 2.92Å; G1530-E1545 PolarHBondContact N-OE1 2.85Å
1531P63Low63.5Low129 Ų12995 Ų9584%0.83850%0.495SS*.THydrogen-bonded Turntrans-60.1-23.6-179.1-13.321000114.2
1532Y68.6Low64.4Low230 Ų23089 Ų8990%0.90249%0.487SS*.THydrogen-bonded Turntrans-110.715.9175.6-55.5-71.2000112.1G1530G1530-Y1532 PolarHBondContact O-N 3.14Å; G1530-Y1532 VanDerWaalsContact O-N 3.07Å
1533G69Low65.3Low15 Ų1589.9 Ų89.916%0.15549%0.493CS..  trans-64.7159.9174.800000112.2S1528 G1530 N1547S1528-G1533 CarbonylContact O-C 3.56Å; S1528-G1533 WeakPolarHBondContact O-CA 3.49Å; G1530-G1533 WeakPolarHBondContact O-CA 3.38Å; G1530-G1533 PolarHBondContact O-N 2.92Å; G1533-N1547 PolarHBondContact O-OD1 3.45Å
1534Q75.8Confident66.5Low129 Ų12988.8 Ų88.860%0.60349%0.485SS*.  trans-123.7155.1176.252.1178.15.100110.3N1526 F1527 S1528N1526-Q1534 CarbonylContact O-C 3.48Å; F1527-Q1534 CarbonylContact C-O 3.5Å; F1527-Q1534 VanDerWaalsContact CA-O 3.25Å; F1527-Q1534 WeakPolarHBondContact CA-O 3.44Å; S1528-Q1534 PolarHBondContact N-O 3.39Å; S1528-Q1534 PolarHBondContact O-N 3.49Å; S1528-Q1534 WeakPolarHBondContact OG-CG 3.15Å; S1528-Q1534 PolarHBondContact OG-N 3.12Å; S1528-Q1534 PolarHBondContact OG-O 2.88Å
1535G75.7Confident67.7Low30 Ų3091.3 Ų91.331%0.30950%0.496SS..SBendtrans88.6-159.8-177.900000113.6N1547G1535-N1547 PolarHBondContact O-N 3.09Å
1536A72.8Confident68.9Low33 Ų3386.4 Ų86.427%0.27347%0.471SS..EExtended strand (participates in β ladder)trans-145.3130.6-175.700000109.5T1524 E1545 V1546T1524-A1536 WeakPolarHBondContact CA-O 3.5Å; T1524-A1536 WeakPolarHBondContact CB-O 3.31Å; T1524-A1536 VanDerWaalsContact CG2-O 3.23Å; T1524-A1536 WeakPolarHBondContact CG2-O 3.5Å; A1536-E1545 CarbonylContact C-O 3.55Å; A1536-E1545 VanDerWaalsContact CA-O 3.3Å; A1536-E1545 WeakPolarHBondContact CA-O 3.5Å; A1536-V1546 HydrophobicContact CB-CB 4.22Å; A1536-V1546 HydrophobicContact CB-CG1 3.38Å
1537Q70.4Confident69.6Low77 Ų7785.3 Ų85.336%0.3647%0.465SS..EExtended strand (participates in β ladder)trans-127.9138.7168.8177.3172.5-26.200110.9T1524 F1527 M1544 E1545T1524-Q1537 VanDerWaalsContact CG2-CA 3.5Å; T1524-Q1537 HydrophobicContact CG2-CB 3.97Å; T1524-Q1537 HydrophobicContact CG2-CG 4.04Å; F1527-Q1537 HydrophobicContact CB-CB 4.13Å; F1527-Q1537 HydrophobicContact CD1-CB 3.6Å; F1527-Q1537 HydrophobicContact CD1-CG 4.33Å; F1527-Q1537 HydrophobicContact CD2-CB 3.74Å; F1527-Q1537 HydrophobicContact CE1-CB 3.79Å; F1527-Q1537 HydrophobicContact CE1-CG 4.41Å; F1527-Q1537 HydrophobicContact CE2-CB 3.95Å; F1527-Q1537 HydrophobicContact CG-CB 3.53Å; F1527-Q1537 HydrophobicContact CZ-CB 3.94Å; Q1537-M1544 CarbonylContact O-C 3.53Å; Q1537-M1544 WeakPolarHBondContact O-CA 3.37Å; Q1537-E1545 PolarHBondContact N-O 2.81Å; Q1537-E1545 PolarHBondContact O-N 3.34Å
1538I68.2Low69.8Low33 Ų3388.1 Ų88.117%0.16949%0.49CS..EExtended strand (participates in β ladder)trans-123.2127.3166.3-54.6171.6000107.1F1520 D1543 M1544F1520-I1538 HydrophobicContact CD1-CB 3.57Å; F1520-I1538 HydrophobicContact CD1-CD1 4.07Å; F1520-I1538 HydrophobicContact CD1-CG1 4.38Å; F1520-I1538 HydrophobicContact CD1-CG2 3.53Å; F1520-I1538 HydrophobicContact CE1-CB 3.87Å; F1520-I1538 HydrophobicContact CE1-CD1 3.69Å; F1520-I1538 HydrophobicContact CE1-CG1 4.37Å; F1520-I1538 HydrophobicContact CE1-CG2 3.49Å; F1520-I1538 VanDerWaalsContact CE1-CG2 3.49Å; F1520-I1538 HydrophobicContact CG-CG2 4.38Å; F1520-I1538 HydrophobicContact CZ-CG2 4.33Å; I1538-D1543 CarbonylContact C-O 3.51Å; I1538-D1543 WeakPolarHBondContact CA-O 3.47Å; I1538-M1544 HydrophobicContact CD1-CE 4.14Å; I1538-M1544 HydrophobicContact CD1-CG 4.15Å; I1538-M1544 HydrophobicContact CD1-SD 3.87Å; I1538-M1544 HydrophobicContact CG1-CB 3.85Å; I1538-M1544 HydrophobicContact CG1-CE 4.49Å; I1538-M1544 HydrophobicContact CG1-CG 3.68Å; I1538-M1544 HydrophobicContact CG1-SD 4.1Å
1539D62.9Low70Confident50 Ų5090.6 Ų90.627%0.26750%0.498SS..  trans-85-179.6-179.181.8-3.4000112.9K1541 G1542 D1543D1539-K1541 PolarHBondContact O-N 3.47Å; D1539-K1541 WeakPolarHBondContact OD1-CA 3.49Å; D1539-K1541 WeakPolarHBondContact OD1-CB 3.39Å; D1539-K1541 PolarHBondContact OD1-N 2.84Å; D1539-G1542 PolarHBondContact O-N 3.03Å; D1539-G1542 PolarHBondContact OD1-N 3.42Å; D1539-D1543 PolarHBondContact N-O 3.39Å; D1539-D1543 PolarHBondContact OD1-N 2.81Å
1540E55.5Low69.8Low193 Ų19395.9 Ų95.990%0.90251%0.507SS*.THydrogen-bonded Turntrans-70.2-14.3179.463-175.7-178.800114.2
1541K65.4Low70Confident170 Ų17096.5 Ų96.574%0.73951%0.509SS*.THydrogen-bonded Turntrans-88.8-12.3175.3-61.4179-177.2172.10112.3D1539D1539-K1541 PolarHBondContact O-N 3.47Å; D1539-K1541 WeakPolarHBondContact OD1-CA 3.49Å; D1539-K1541 WeakPolarHBondContact OD1-CB 3.39Å; D1539-K1541 PolarHBondContact OD1-N 2.84Å
1542G65.6Low70.2Confident47 Ų4799.9 Ų99.949%0.48551%0.505SS..  trans93.611.7-177.500000113.8D1539D1539-G1542 PolarHBondContact O-N 3.03Å; D1539-G1542 PolarHBondContact OD1-N 3.42Å
1543D68.1Low70.2Confident105 Ų10597.1 Ų97.156%0.56150%0.5SS*.  trans-78.4132176-64.9-39.6000109.9I1538 D1539I1538-D1543 CarbonylContact C-O 3.51Å; I1538-D1543 WeakPolarHBondContact CA-O 3.47Å; D1539-D1543 PolarHBondContact N-O 3.39Å; D1539-D1543 PolarHBondContact OD1-N 2.81Å
1544M74.4Confident69.4Low111 Ų111103.4 Ų103.455%0.54752%0.524SS..EExtended strand (participates in β ladder)trans-120.7118-169.5178.5169.4-168.200111.7Q1537 I1538 V1546Q1537-M1544 CarbonylContact O-C 3.53Å; Q1537-M1544 WeakPolarHBondContact O-CA 3.37Å; I1538-M1544 HydrophobicContact CD1-CE 4.14Å; I1538-M1544 HydrophobicContact CD1-CG 4.15Å; I1538-M1544 HydrophobicContact CD1-SD 3.87Å; I1538-M1544 HydrophobicContact CG1-CB 3.85Å; I1538-M1544 HydrophobicContact CG1-CE 4.49Å; I1538-M1544 HydrophobicContact CG1-CG 3.68Å; I1538-M1544 HydrophobicContact CG1-SD 4.1Å; M1544-V1546 HydrophobicContact CE-CB 4.26Å; M1544-V1546 HydrophobicContact CE-CG1 3.26Å; M1544-V1546 HydrophobicContact CE-CG2 4.09Å; M1544-V1546 HydrophobicContact CG-CG1 3.62Å; M1544-V1546 HydrophobicContact CG-CG2 4.3Å; M1544-V1546 HydrophobicContact SD-CG1 4.24Å
1545E75Confident68.8Low73 Ų73100.9 Ų100.934%0.34151%0.513SS..EExtended strand (participates in β ladder)trans-109.2116171-169.5179.115900109.6F1527 S1529 G1530 A1536 Q1537F1527-E1545 HydrophobicContact CE2-CB 3.8Å; F1527-E1545 HydrophobicContact CE2-CG 3.75Å; F1527-E1545 HydrophobicContact CZ-CB 3.93Å; F1527-E1545 VanDerWaalsContact CZ-CD 3.42Å; F1527-E1545 HydrophobicContact CZ-CG 3.97Å; F1527-E1545 VanDerWaalsContact CZ-OE2 3.27Å; F1527-E1545 WeakPolarHBondContact CZ-OE2 3.4Å; S1529-E1545 WeakPolarHBondContact CA-OE1 3.46Å; S1529-E1545 PolarHBondContact OG-OE1 2.81Å; S1529-E1545 PolarHBondContact OG-OE2 2.91Å; G1530-E1545 PolarHBondContact N-OE1 2.85Å; A1536-E1545 CarbonylContact C-O 3.55Å; A1536-E1545 VanDerWaalsContact CA-O 3.3Å; A1536-E1545 WeakPolarHBondContact CA-O 3.5Å; Q1537-E1545 PolarHBondContact N-O 2.81Å; Q1537-E1545 PolarHBondContact O-N 3.34Å
1546V77.8Confident68.1Low39 Ų39104 Ų10424%0.23653%0.53CS..EExtended strand (participates in β ladder)trans-144.8148.2-173.6-65.10000113.5A1536 M1544 I1549A1536-V1546 HydrophobicContact CB-CB 4.22Å; A1536-V1546 HydrophobicContact CB-CG1 3.38Å; M1544-V1546 HydrophobicContact CE-CB 4.26Å; M1544-V1546 HydrophobicContact CE-CG1 3.26Å; M1544-V1546 HydrophobicContact CE-CG2 4.09Å; M1544-V1546 HydrophobicContact CG-CG1 3.62Å; M1544-V1546 HydrophobicContact CG-CG2 4.3Å; M1544-V1546 HydrophobicContact SD-CG1 4.24Å; V1546-I1549 HydrophobicContact CG2-CD1 3.73Å; V1546-I1549 HydrophobicContact CG2-CG1 3.37Å
1547N73.9Confident67.6Low115 Ų115104.3 Ų104.362%0.61553%0.533SS*.SBendtrans-69.8-32.5-178.4-146.99.4000113.9G1533 G1535G1533-N1547 PolarHBondContact O-OD1 3.45Å; G1535-N1547 PolarHBondContact O-N 3.09Å
1548S70.8Confident66.9Low106 Ų106104 Ų10474%0.74154%0.537SS*.  trans-156.9147.3170.972.80000112.3
1549I73.8Confident66.4Low101 Ų101107 Ų10752%0.51855%0.549SS..  trans-117.8117.4173.9-59176.8000109.4V1546 I1555V1546-I1549 HydrophobicContact CG2-CD1 3.73Å; V1546-I1549 HydrophobicContact CG2-CG1 3.37Å; I1549-I1555 HydrophobicContact CB-CD1 4.08Å; I1549-I1555 HydrophobicContact CG2-CD1 3.53Å; I1549-I1555 HydrophobicContact CG2-CG1 4.24Å
1550Y74.8Confident66.3Low199 Ų199107.8 Ų107.878%0.7855%0.551SS**  trans-103.8107.9167.7-179.3-95.2000110.2R1552Y1550-R1552 HydrophobicContact CD1-CG 4.44Å; Y1550-R1552 HydrophobicContact CE1-CG 3.93Å
1551A68.7Low66.4Low41 Ų41105.2 Ų105.234%0.33955%0.547SS..  trans-99.1124.1173.400000111.3Q1553 I1555A1551-Q1553 VanDerWaalsContact C-N 3.28Å; A1551-Q1553 PolarHBondContact O-N 3.34Å; A1551-I1555 HydrophobicContact CB-CB 4.48Å; A1551-I1555 HydrophobicContact CB-CD1 4.16Å; A1551-I1555 HydrophobicContact CB-CG1 3.31Å
1552R67.1Low65.7Low200 Ų200104 Ų10476%0.75554%0.543SS*.SBendtrans-65.8-23.6-177.2-65.8-175.1-157-164.47.7114.5D1483 Y1550D1483-R1552 IonicContact OD2-NH1 2.95Å; Y1550-R1552 HydrophobicContact CD1-CG 4.44Å; Y1550-R1552 HydrophobicContact CE1-CG 3.93Å
1553Q68.5Low64.8Low173 Ų173108.9 Ų108.981%0.80856%0.557SS**SBendtrans-122.9-59.9-176.3-68.8-172-700112A1551A1551-Q1553 VanDerWaalsContact C-N 3.28Å; A1551-Q1553 PolarHBondContact O-N 3.34Å
1554F51.4Low63.5Low147 Ų147112.6 Ų112.665%0.64557%0.571SS**  trans-163.7153.5172.856.1-86000108.5
1555I64.1Low61.9Low76 Ų76113.4 Ų113.439%0.3958%0.577SS.*  trans-94.8129.4158.7-53.6172.5000105.4I1549 A1551 A1557 F1560I1549-I1555 HydrophobicContact CB-CD1 4.08Å; I1549-I1555 HydrophobicContact CG2-CD1 3.53Å; I1549-I1555 HydrophobicContact CG2-CG1 4.24Å; A1551-I1555 HydrophobicContact CB-CB 4.48Å; A1551-I1555 HydrophobicContact CB-CD1 4.16Å; A1551-I1555 HydrophobicContact CB-CG1 3.31Å; I1555-A1557 HydrophobicContact CG2-CB 4.38Å; I1555-F1560 HydrophobicContact CB-CE1 3.62Å; I1555-F1560 HydrophobicContact CB-CZ 3.63Å; I1555-F1560 HydrophobicContact CD1-CE1 4.35Å; I1555-F1560 HydrophobicContact CG2-CE1 3.44Å; I1555-F1560 VanDerWaalsContact CG2-CE1 3.44Å; I1555-F1560 HydrophobicContact CG2-CZ 3.52Å; I1555-F1560 VanDerWaalsContact O-CZ 3.29Å; I1555-F1560 WeakPolarHBondContact O-CZ 3.39Å
1556S60.8Low60.8Low94 Ų94115.2 Ų115.266%0.65760%0.597SS**  trans-115100.3169.1-178.40000107.1
1557A63.3Low59.8Low41 Ų41118.3 Ų118.334%0.33962%0.616SS.*  trans-122.9151.8173.600000108.4I1555 K1559 F1560I1555-A1557 HydrophobicContact CG2-CB 4.38Å; A1557-K1559 PolarHBondContact O-N 3.04Å; A1557-K1559 VanDerWaalsContact O-N 3.15Å; A1557-F1560 HydrophobicContact CB-CE1 4.17Å; A1557-F1560 HydrophobicContact CB-CE2 4.1Å; A1557-F1560 HydrophobicContact CB-CZ 3.79Å
1558P54.5Low59.2Low69 Ų69114.6 Ų114.645%0.44860%0.598SS.*SBendtrans-49.7-34.3171-31.738.3000114.3Y1613 Y1676P1558-Y1613 VanDerWaalsContact CB-OH 3.27Å; P1558-Y1613 WeakPolarHBondContact CB-OH 3.4Å; P1558-Y1676 HydrophobicContact CB-CD1 3.94Å; P1558-Y1676 HydrophobicContact CB-CD2 3.66Å; P1558-Y1676 HydrophobicContact CB-CE2 4.44Å; P1558-Y1676 HydrophobicContact CB-CG 3.36Å; P1558-Y1676 HydrophobicContact CG-CD1 4.24Å; P1558-Y1676 HydrophobicContact CG-CD2 3.53Å; P1558-Y1676 HydrophobicContact CG-CE2 3.87Å; P1558-Y1676 HydrophobicContact CG-CG 3.73Å
1559K57.1Low58.9Low97 Ų97116.4 Ų116.442%0.42259%0.592SS.*  trans-146.2151.7-175.2-168.4164-177.6157.90112.2A1557 T1580 D1678A1557-K1559 PolarHBondContact O-N 3.04Å; A1557-K1559 VanDerWaalsContact O-N 3.15Å; K1559-T1580 PolarHBondContact NZ-OG1 2.87Å; K1559-D1678 IonicContact NZ-OD1 3.66Å; K1559-D1678 PolarHBondContact NZ-OD1 2.59Å; K1559-D1678 IonicContact NZ-OD2 2.66Å; K1559-D1678 PolarHBondContact NZ-OD2 2.73Å
1560F61.9Low58.9Low67 Ų67112.3 Ų112.329%0.29457%0.573SS.*  trans-141.9142.8174.8-67.1-83.6000110.8I1555 A1557 F1562I1555-F1560 HydrophobicContact CB-CE1 3.62Å; I1555-F1560 HydrophobicContact CB-CZ 3.63Å; I1555-F1560 HydrophobicContact CD1-CE1 4.35Å; I1555-F1560 HydrophobicContact CG2-CE1 3.44Å; I1555-F1560 VanDerWaalsContact CG2-CE1 3.44Å; I1555-F1560 HydrophobicContact CG2-CZ 3.52Å; I1555-F1560 VanDerWaalsContact O-CZ 3.29Å; I1555-F1560 WeakPolarHBondContact O-CZ 3.39Å; A1557-F1560 HydrophobicContact CB-CE1 4.17Å; A1557-F1560 HydrophobicContact CB-CE2 4.1Å; A1557-F1560 HydrophobicContact CB-CZ 3.79Å; F1560-F1562 HydrophobicContact CB-CD2 3.95Å; F1560-F1562 HydrophobicContact CB-CE1 4.42Å; F1560-F1562 HydrophobicContact CB-CE2 3.19Å; F1560-F1562 HydrophobicContact CB-CZ 3.47Å; F1560-F1562 VanDerWaalsContact CB-CZ 3.47Å; F1560-F1562 HydrophobicContact CD1-CE2 4.48Å; F1560-F1562 AromaticContact CD1-CZ 3.9Å; F1560-F1562 HydrophobicContact CD1-CZ 3.9Å; F1560-F1562 HydrophobicContact CD2-CZ 4.45Å; F1560-F1562 AromaticContact CG-CE2 3.87Å; F1560-F1562 HydrophobicContact CG-CE2 3.87Å; F1560-F1562 AromaticContact CG-CZ 3.71Å; F1560-F1562 HydrophobicContact CG-CZ 3.71Å
1561V58.2Low59.4Low138 Ų138104.2 Ų104.284%0.83654%0.542SS*.  trans-115.3126.5173.7-175.20000108.3
1562F50.9Low60.3Low145 Ų145106.5 Ų106.564%0.63655%0.546SS*.  trans-129.9152.2-173-63.1-76.3000111.8F1560F1560-F1562 HydrophobicContact CB-CD2 3.95Å; F1560-F1562 HydrophobicContact CB-CE1 4.42Å; F1560-F1562 HydrophobicContact CB-CE2 3.19Å; F1560-F1562 HydrophobicContact CB-CZ 3.47Å; F1560-F1562 VanDerWaalsContact CB-CZ 3.47Å; F1560-F1562 HydrophobicContact CD1-CE2 4.48Å; F1560-F1562 AromaticContact CD1-CZ 3.9Å; F1560-F1562 HydrophobicContact CD1-CZ 3.9Å; F1560-F1562 HydrophobicContact CD2-CZ 4.45Å; F1560-F1562 AromaticContact CG-CE2 3.87Å; F1560-F1562 HydrophobicContact CG-CE2 3.87Å; F1560-F1562 AromaticContact CG-CZ 3.71Å; F1560-F1562 HydrophobicContact CG-CZ 3.71Å
1563N45.6Very low61.3Low149 Ų14999.5 Ų99.580%0.79752%0.52SS*.SBendtrans-103.1159.2179-161.811.2000113.7I1565N1563-I1565 VanDerWaalsContact C-N 3.34Å; N1563-I1565 PolarHBondContact O-N 2.7Å
1564E41.3Very low62.3Low183 Ų18396.4 Ų96.486%0.85551%0.509SS*.SBendtrans65-21.9177.5-66.8-163.9166.100119.8
1565I41.1Very low64.2Low129 Ų12990.4 Ų90.466%0.66248%0.484SS*.  trans-132.2107.2165.4-55.4178.4000108.9N1563 V1567N1563-I1565 VanDerWaalsContact C-N 3.34Å; N1563-I1565 PolarHBondContact O-N 2.7Å; I1565-V1567 VanDerWaalsContact C-N 3.35Å; I1565-V1567 HydrophobicContact CB-CG2 4.32Å; I1565-V1567 HydrophobicContact CG2-CG2 3.62Å; I1565-V1567 PolarHBondContact O-N 2.96Å
1566S51.2Low65.3Low110 Ų11090.1 Ų90.177%0.76948%0.484SS*.  trans-69.693.7166.9-172.20000108.7
1567V58Low66.6Low105 Ų10585.7 Ų85.764%0.63645%0.452SS*.  trans-85.9108.6175.7-179.80000108.7I1565 K1569I1565-V1567 VanDerWaalsContact C-N 3.35Å; I1565-V1567 HydrophobicContact CB-CG2 4.32Å; I1565-V1567 HydrophobicContact CG2-CG2 3.62Å; I1565-V1567 PolarHBondContact O-N 2.96Å; V1567-K1569 PolarHBondContact O-N 3.05Å; V1567-K1569 VanDerWaalsContact O-N 3.13Å
1568T60.9Low68Low37 Ų3790.6 Ų90.623%0.22746%0.463CS..  trans-65.2109.2171.3-37.10000111A1570 E1571 Q1572 S1698T1568-A1570 PolarHBondContact O-N 2.76Å; T1568-E1571 VanDerWaalsContact CG2-C 3.45Å; T1568-Q1572 HydrophobicContact CG2-CB 3.37Å; T1568-Q1572 HydrophobicContact CG2-CG 3.94Å; T1568-Q1572 PolarHBondContact OG1-OE1 2.91Å; T1568-S1698 PolarHBondContact O-OG 3.14Å
1569K64.2Low69.6Low144 Ų14487.9 Ų87.963%0.62645%0.448SS*.  trans-7998.1175.9-65.9177.4-177172.40109.8V1567 E1571V1567-K1569 PolarHBondContact O-N 3.05Å; V1567-K1569 VanDerWaalsContact O-N 3.13Å; K1569-E1571 VanDerWaalsContact C-N 3.31Å; K1569-E1571 PolarHBondContact O-N 2.85Å
1570A74Confident71.1Confident14 Ų1484.4 Ų84.412%0.11644%0.435CS..SBendtrans69.3-65.5-178.200000115.5T1568 S1697 S1698 R1699T1568-A1570 PolarHBondContact O-N 2.76Å; A1570-S1697 CarbonylContact O-C 3.5Å; A1570-S1697 VanDerWaalsContact O-CA 3.27Å; A1570-S1697 WeakPolarHBondContact O-CA 3.46Å; A1570-S1698 PolarHBondContact N-OG 2.78Å; A1570-S1698 PolarHBondContact O-N 3.19Å; A1570-S1698 PolarHBondContact O-OG 2.82Å; A1570-R1699 HydrophobicContact CB-CB 3.84Å
1571E85.1Confident72.5Confident29 Ų2981.2 Ų81.214%0.13642%0.421CS..EExtended strand (participates in β ladder)trans-131.7138.4-176.2-64.6-177.7-179.800112.9T1568 K1569 W1573 R1610 L1612 Y1695 F1696T1568-E1571 VanDerWaalsContact CG2-C 3.45Å; K1569-E1571 VanDerWaalsContact C-N 3.31Å; K1569-E1571 PolarHBondContact O-N 2.85Å; E1571-W1573 PolarHBondContact OE2-NE1 2.88Å; E1571-R1610 VanDerWaalsContact CD-NH1 3.33Å; E1571-R1610 IonicContact OE1-CZ 3.42Å; E1571-R1610 IonicContact OE1-NH1 3.33Å; E1571-R1610 PolarHBondContact OE1-NH1 2.92Å; E1571-R1610 IonicContact OE2-NH1 3.06Å; E1571-R1610 PolarHBondContact OE2-NH1 3.33Å; E1571-R1610 VanDerWaalsContact OE2-NH1 3.12Å; E1571-L1612 HydrophobicContact CG-CD1 4.25Å; E1571-Y1695 HydrophobicContact CG-CD2 4.25Å; E1571-Y1695 HydrophobicContact CG-CE2 4.47Å; E1571-F1696 CarbonylContact C-O 3.53Å; E1571-F1696 WeakPolarHBondContact CA-O 3.23Å
1572Q87.4Confident73.9Confident89 Ų8979.4 Ų79.442%0.41640%0.403SS..EExtended strand (participates in β ladder)trans-119.8128.1165-140.4172.5-4700109.4T1568 Y1695 F1696T1568-Q1572 HydrophobicContact CG2-CB 3.37Å; T1568-Q1572 HydrophobicContact CG2-CG 3.94Å; T1568-Q1572 PolarHBondContact OG1-OE1 2.91Å; Q1572-Y1695 CarbonylContact O-C 3.37Å; Q1572-Y1695 WeakPolarHBondContact O-CA 3.22Å; Q1572-Y1695 WeakPolarHBondContact O-CB 3.4Å; Q1572-F1696 HydrophobicContact CB-CB 4.08Å; Q1572-F1696 HydrophobicContact CB-CD2 4.02Å; Q1572-F1696 HydrophobicContact CB-CG 4.45Å; Q1572-F1696 PolarHBondContact N-O 3.01Å; Q1572-F1696 PolarHBondContact O-N 2.67Å
1573W88.5Confident75.8Confident53 Ų5375.1 Ų75.120%0.20139%0.391CS..EExtended strand (participates in β ladder)trans-110.1139.8-177-7381000112.2E1571 T1575 F1635 A1680 M1694 Y1695 L1707E1571-W1573 PolarHBondContact OE2-NE1 2.88Å; W1573-T1575 HydrophobicContact CB-CG2 4.38Å; W1573-F1635 AromaticContact CH2-CE1 3.53Å; W1573-F1635 HydrophobicContact CH2-CE1 3.53Å; W1573-F1635 AromaticContact CH2-CZ 3.76Å; W1573-F1635 HydrophobicContact CH2-CZ 3.76Å; W1573-F1635 HydrophobicContact CZ2-CD1 4.49Å; W1573-F1635 AromaticContact CZ2-CE1 3.89Å; W1573-F1635 HydrophobicContact CZ2-CE1 3.89Å; W1573-F1635 HydrophobicContact CZ2-CZ 4.37Å; W1573-A1680 HydrophobicContact CB-CB 3.73Å; W1573-A1680 HydrophobicContact CD2-CB 4Å; W1573-A1680 HydrophobicContact CE3-CB 4.46Å; W1573-A1680 HydrophobicContact CG-CB 3.66Å; W1573-M1694 CarbonylContact C-O 3.54Å; W1573-Y1695 HydrophobicContact CD2-CG 4.16Å; W1573-Y1695 AromaticContact CE2-CG 3.87Å; W1573-Y1695 HydrophobicContact CE3-CD1 4.38Å; W1573-Y1695 HydrophobicContact CE3-CG 4.34Å; W1573-Y1695 AromaticContact CH2-CD1 3.68Å; W1573-Y1695 HydrophobicContact CH2-CD1 3.68Å; W1573-Y1695 HydrophobicContact CH2-CE1 4.13Å; W1573-Y1695 HydrophobicContact CH2-CG 4.02Å; W1573-Y1695 AromaticContact CZ2-CD1 3.92Å; W1573-Y1695 HydrophobicContact CZ2-CD1 3.92Å; W1573-Y1695 HydrophobicContact CZ2-CD2 4.15Å; W1573-Y1695 HydrophobicContact CZ2-CE1 4.38Å; W1573-Y1695 AromaticContact CZ2-CG 3.81Å; W1573-Y1695 HydrophobicContact CZ2-CG 3.81Å; W1573-Y1695 AromaticContact CZ3-CD1 3.91Å; W1573-Y1695 HydrophobicContact CZ3-CD1 3.91Å; W1573-Y1695 HydrophobicContact CZ3-CG 4.27Å; W1573-L1707 HydrophobicContact CH2-CD1 4.34Å; W1573-L1707 HydrophobicContact CZ3-CD1 4.38Å
1574N89Confident77.9Confident109 Ų10969.6 Ų69.658%0.58336%0.363SS*.EExtended strand (participates in β ladder)trans-112.9109.9165.4-174.7-2.8000107.1M1694N1574-M1694 HydrophobicContact CB-CB 4.3Å; N1574-M1694 PolarHBondContact N-O 2.98Å; N1574-M1694 PolarHBondContact O-N 3.5Å
1575T91.7Very high80.2Confident20 Ų2064 Ų6412%0.12334%0.339CS..  trans-154.4163.8-165.7-178.20000111.7W1573 G1577 Y1578 A1680 Q1681W1573-T1575 HydrophobicContact CB-CG2 4.38Å; T1575-G1577 WeakPolarHBondContact CG2-O 3.33Å; T1575-Y1578 HydrophobicContact CG2-CD1 4.33Å; T1575-A1680 HydrophobicContact CG2-CB 4.06Å; T1575-Q1681 VanDerWaalsContact CB-O 3.22Å; T1575-Q1681 WeakPolarHBondContact CB-O 3.21Å; T1575-Q1681 PolarHBondContact OG1-O 2.77Å; T1575-Q1681 PolarHBondContact OG1-OE1 3.34Å
1576N87.5Confident82.4Confident71 Ų7161.7 Ų61.738%0.3833%0.331SS..SBendtrans-83.2-16.3-179.2-55-73.2000113.7R1690N1576-R1690 VanDerWaalsContact C-NH2 3.34Å; N1576-R1690 HydrophobicContact CB-CG 4.26Å; N1576-R1690 PolarHBondContact O-NH1 2.86Å; N1576-R1690 PolarHBondContact O-NH2 3.34Å; N1576-R1690 VanDerWaalsContact O-NH2 3.09Å
1577G88.2Confident83.8Confident0 Ų065.6 Ų65.60%033%0.333CS..  trans-140.9133.8-178.700000112.4T1575 Q1681T1575-G1577 WeakPolarHBondContact CG2-O 3.33Å; G1577-Q1681 WeakPolarHBondContact O-CB 3.3Å; G1577-Q1681 PolarHBondContact O-N 2.75Å
1578Y91.7Very high85Confident145 Ų14565 Ų6557%0.56933%0.327SS*.EExtended strand (participates in β ladder)trans-161167.8-178.655.9-91.3000110.4T1575 S1602 F1679T1575-Y1578 HydrophobicContact CG2-CD1 4.33Å; Y1578-S1602 PolarHBondContact N-OG 2.91Å; Y1578-F1679 WeakPolarHBondContact CA-O 3.22Å
1579G88.5Confident86.3Confident12 Ų1268.3 Ų68.312%0.12434%0.335CS..EExtended strand (participates in β ladder)trans-178.2164.2172.300000113.5F1679G1579-F1679 PolarHBondContact N-O 3.37Å; G1579-F1679 WeakPolarHBondContact O-CD1 3.5Å; G1579-F1679 VanDerWaalsContact O-CE1 3.24Å; G1579-F1679 WeakPolarHBondContact O-CE1 3.12Å; G1579-F1679 PolarHBondContact O-N 2.93Å; G1579-F1679 VanDerWaalsContact O-N 3.07Å
1580T89.3Confident87.5Confident24 Ų2462.4 Ų62.415%0.14731%0.311CS..EExtended strand (participates in β ladder)trans-103.8126.5165.9-55.90000108.3K1559 E1582 L1593 H1594 D1678K1559-T1580 PolarHBondContact NZ-OG1 2.87Å; T1580-E1582 PolarHBondContact O-N 2.89Å; T1580-L1593 WeakPolarHBondContact O-CA 3.47Å; T1580-H1594 PolarHBondContact O-N 3.47Å; T1580-D1678 WeakPolarHBondContact CB-OD1 3.4Å; T1580-D1678 WeakPolarHBondContact CG2-OD1 3.1Å; T1580-D1678 PolarHBondContact OG1-OD1 3.17Å
1581I91.2Very high88.5Confident0 Ų061.7 Ų61.70%031%0.306CS..EExtended strand (participates in β ladder)trans-74.6125179.7-61.9-177.4000109.9V1584 I1591 L1593 P1673 C1674 Y1676 M1677 F1679I1581-V1584 HydrophobicContact CD1-CG2 4.38Å; I1581-V1584 HydrophobicContact CG2-CG2 3.34Å; I1581-I1591 HydrophobicContact CD1-CD1 4.1Å; I1581-I1591 HydrophobicContact CD1-CG1 4.42Å; I1581-I1591 HydrophobicContact CD1-CG2 4.29Å; I1581-I1591 HydrophobicContact CG1-CG2 3.96Å; I1581-I1591 HydrophobicContact CG2-CG2 4.12Å; I1581-L1593 HydrophobicContact CG1-CD2 4.48Å; I1581-P1673 HydrophobicContact CD1-CB 3.57Å; I1581-C1674 WeakPolarHBondContact CB-O 3.42Å; I1581-C1674 WeakPolarHBondContact CG2-O 3.27Å; I1581-Y1676 WeakPolarHBondContact O-CA 3.36Å; I1581-Y1676 PolarHBondContact O-N 3.45Å; I1581-M1677 HydrophobicContact CD1-CB 4.26Å; I1581-M1677 PolarHBondContact N-O 2.9Å; I1581-F1679 HydrophobicContact CD1-CD1 4.06Å; I1581-F1679 HydrophobicContact CD1-CE1 4.33Å; I1581-F1679 HydrophobicContact CG1-CD1 3.72Å; I1581-F1679 HydrophobicContact CG1-CE1 3.69Å
1582E87.1Confident88.8Confident100 Ų10061.8 Ų61.847%0.46731%0.308SS..EExtended strand (participates in β ladder)trans-83.2-49171.2-174.4-177.7-177.200110.7T1580 T1592 H1594 A1675T1580-E1582 PolarHBondContact O-N 2.89Å; E1582-T1592 HydrophobicContact CB-CG2 4.42Å; E1582-T1592 WeakPolarHBondContact CB-O 3.31Å; E1582-T1592 PolarHBondContact N-O 2.99Å; E1582-T1592 WeakPolarHBondContact OE2-CG2 3.25Å; E1582-H1594 HydrophobicContact CB-CB 4.03Å; E1582-A1675 WeakPolarHBondContact O-CB 3.13Å
1583S90Very high89Confident55 Ų5557.6 Ų57.639%0.38529%0.289SS..EExtended strand (participates in β ladder)trans-151.1152.6179.957.70000112I1591 T1592S1583-I1591 WeakPolarHBondContact O-CA 3.35Å; S1583-T1592 PolarHBondContact N-O 2.84Å; S1583-T1592 PolarHBondContact O-N 3.26Å; S1583-T1592 WeakPolarHBondContact OG-CB 3.37Å
1584V89.4Confident88.9Confident33 Ų3360.2 Ų60.220%0.230%0.303CS..EExtended strand (participates in β ladder)trans-129121.2176.3-1710000109.7I1581 V1586 T1590 I1591 Y1663 P1673I1581-V1584 HydrophobicContact CD1-CG2 4.38Å; I1581-V1584 HydrophobicContact CG2-CG2 3.34Å; V1584-V1586 HydrophobicContact CG1-CG2 4.32Å; V1584-V1586 PolarHBondContact O-N 2.69Å; V1584-T1590 CarbonylContact C-O 3.49Å; V1584-T1590 WeakPolarHBondContact CA-O 3.46Å; V1584-I1591 HydrophobicContact CG1-CG1 4.15Å; V1584-I1591 HydrophobicContact CG2-CG1 4.02Å; V1584-Y1663 HydrophobicContact CG1-CE1 3.69Å; V1584-P1673 WeakPolarHBondContact CG1-O 3.28Å; V1584-P1673 HydrophobicContact CG2-CB 4.45Å; V1584-P1673 WeakPolarHBondContact CG2-O 3.45Å
1585D90.3Very high88.5Confident66 Ų6656.7 Ų56.735%0.35328%0.284SS..EExtended strand (participates in β ladder)trans-89.197.6165.1-174.4-23.5000108.5K1587 N1588 R1589 T1590D1585-K1587 PolarHBondContact O-N 3.43Å; D1585-K1587 WeakPolarHBondContact OD1-CB 3.21Å; D1585-K1587 PolarHBondContact OD1-N 2.84Å; D1585-N1588 HydrophobicContact CB-CB 4.34Å; D1585-N1588 PolarHBondContact O-N 3.47Å; D1585-N1588 PolarHBondContact OD1-N 2.86Å; D1585-N1588 PolarHBondContact OD2-ND2 2.82Å; D1585-R1589 CarbonylContact O-C 3.52Å; D1585-R1589 WeakPolarHBondContact O-CA 3.41Å; D1585-R1589 PolarHBondContact O-N 2.97Å; D1585-T1590 PolarHBondContact N-O 2.79Å; D1585-T1590 PolarHBondContact O-N 2.88Å
1586V87.8Confident87.7Confident80 Ų8061.8 Ų61.849%0.48531%0.306SS..THydrogen-bonded Turntrans-64.1-29.8-179.1-176.20000111.8V1584 D1672V1584-V1586 HydrophobicContact CG1-CG2 4.32Å; V1584-V1586 PolarHBondContact O-N 2.69Å; V1586-D1672 HydrophobicContact CG1-CB 4.27Å; V1586-D1672 HydrophobicContact CG2-CB 4.44Å
1587K80.7Confident86.8Confident191 Ų19166.1 Ų66.183%0.8332%0.324SS*.THydrogen-bonded Turntrans-73.8-43.2-178.4-174.2-179.4176.8-174.70111.2D1585D1585-K1587 PolarHBondContact O-N 3.43Å; D1585-K1587 WeakPolarHBondContact OD1-CB 3.21Å; D1585-K1587 PolarHBondContact OD1-N 2.84Å
1588N82Confident85.9Confident92 Ų9271.2 Ų71.249%0.49235%0.351SS..THydrogen-bonded Turntrans-91.6-3178.3-64.9-37.3000113.5D1585 T1590 Q1662D1585-N1588 HydrophobicContact CB-CB 4.34Å; D1585-N1588 PolarHBondContact O-N 3.47Å; D1585-N1588 PolarHBondContact OD1-N 2.86Å; D1585-N1588 PolarHBondContact OD2-ND2 2.82Å; N1588-T1590 VanDerWaalsContact C-N 3.32Å; N1588-T1590 PolarHBondContact O-N 2.87Å; N1588-T1590 PolarHBondContact O-OG1 3.24Å; N1588-Q1662 PolarHBondContact O-NE2 3.47Å
1589R88.5Confident84.9Confident107 Ų10768.3 Ų68.340%0.40435%0.345SS..THydrogen-bonded Turntrans50.548.4-172.9-60.8-173.9178.4-168.1-0.6112.8D1585 Q1662 Y1663D1585-R1589 CarbonylContact O-C 3.52Å; D1585-R1589 WeakPolarHBondContact O-CA 3.41Å; D1585-R1589 PolarHBondContact O-N 2.97Å; R1589-Q1662 CarbonylContact O-C 3.58Å; R1589-Q1662 WeakPolarHBondContact O-CA 3.49Å; R1589-Y1663 VanDerWaalsContact CA-CE1 3.45Å; R1589-Y1663 HydrophobicContact CB-CD1 4.14Å; R1589-Y1663 HydrophobicContact CB-CE1 3.9Å; R1589-Y1663 HydrophobicContact CB-CE2 4.42Å; R1589-Y1663 WeakPolarHBondContact CB-O 3.23Å; R1589-Y1663 WeakPolarHBondContact O-CD1 3.41Å; R1589-Y1663 WeakPolarHBondContact O-CE1 3.24Å; R1589-Y1663 PolarHBondContact O-N 3.16Å
1590T90.5Very high84.4Confident20 Ų2074.4 Ų74.412%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-112.3136.6-178.5-54.80000110.6V1584 D1585 N1588 I1652 V1660 F1661V1584-T1590 CarbonylContact C-O 3.49Å; V1584-T1590 WeakPolarHBondContact CA-O 3.46Å; D1585-T1590 PolarHBondContact N-O 2.79Å; D1585-T1590 PolarHBondContact O-N 2.88Å; N1588-T1590 VanDerWaalsContact C-N 3.32Å; N1588-T1590 PolarHBondContact O-N 2.87Å; N1588-T1590 PolarHBondContact O-OG1 3.24Å; T1590-I1652 HydrophobicContact CG2-CD1 3.49Å; T1590-I1652 VanDerWaalsContact CG2-CD1 3.49Å; T1590-V1660 HydrophobicContact CG2-CG1 3.36Å; T1590-F1661 CarbonylContact C-O 3.35Å; T1590-F1661 WeakPolarHBondContact CA-O 3.36Å
1591I93.5Very high84.2Confident0 Ų073.8 Ų73.80%036%0.364CS..EExtended strand (participates in β ladder)trans-113.8131.7173.3-72.4165.6000108.4I1581 S1583 V1584 L1593 F1646 V1660 F1661 Y1663 P1673I1581-I1591 HydrophobicContact CD1-CD1 4.1Å; I1581-I1591 HydrophobicContact CD1-CG1 4.42Å; I1581-I1591 HydrophobicContact CD1-CG2 4.29Å; I1581-I1591 HydrophobicContact CG1-CG2 3.96Å; I1581-I1591 HydrophobicContact CG2-CG2 4.12Å; S1583-I1591 WeakPolarHBondContact O-CA 3.35Å; V1584-I1591 HydrophobicContact CG1-CG1 4.15Å; V1584-I1591 HydrophobicContact CG2-CG1 4.02Å; I1591-L1593 HydrophobicContact CG2-CD2 3.79Å; I1591-F1646 HydrophobicContact CD1-CD2 4.3Å; I1591-F1646 HydrophobicContact CD1-CE2 3.95Å; I1591-F1646 HydrophobicContact CD1-CZ 4.22Å; I1591-V1660 CarbonylContact O-C 3.54Å; I1591-V1660 VanDerWaalsContact O-CA 3.3Å; I1591-V1660 WeakPolarHBondContact O-CA 3.45Å; I1591-F1661 HydrophobicContact CB-CD1 4.33Å; I1591-F1661 HydrophobicContact CB-CE1 3.87Å; I1591-F1661 HydrophobicContact CB-CE2 4.12Å; I1591-F1661 HydrophobicContact CB-CZ 3.75Å; I1591-F1661 HydrophobicContact CD1-CE2 3.87Å; I1591-F1661 HydrophobicContact CD1-CZ 3.8Å; I1591-F1661 HydrophobicContact CG1-CZ 4.38Å; I1591-F1661 HydrophobicContact CG2-CD1 4.3Å; I1591-F1661 HydrophobicContact CG2-CE1 3.51Å; I1591-F1661 HydrophobicContact CG2-CE2 4.47Å; I1591-F1661 HydrophobicContact CG2-CZ 3.61Å; I1591-F1661 PolarHBondContact N-O 3.27Å; I1591-F1661 PolarHBondContact O-N 3.03Å; I1591-Y1663 HydrophobicContact CD1-CD1 3.53Å; I1591-Y1663 HydrophobicContact CD1-CE1 4.15Å; I1591-Y1663 HydrophobicContact CD1-CG 3.88Å; I1591-Y1663 HydrophobicContact CG1-CD1 3.59Å; I1591-Y1663 HydrophobicContact CG1-CE1 3.93Å; I1591-Y1663 HydrophobicContact CG1-CG 4.43Å; I1591-P1673 HydrophobicContact CD1-CB 3.95Å; I1591-P1673 HydrophobicContact CD1-CG 3.99Å
1592T92.4Very high84.1Confident30 Ų3075.7 Ų75.718%0.18438%0.377CS..EExtended strand (participates in β ladder)trans-105.5132.2165.5-55.90000108.1E1582 S1583 V1660E1582-T1592 HydrophobicContact CB-CG2 4.42Å; E1582-T1592 WeakPolarHBondContact CB-O 3.31Å; E1582-T1592 PolarHBondContact N-O 2.99Å; E1582-T1592 WeakPolarHBondContact OE2-CG2 3.25Å; S1583-T1592 PolarHBondContact N-O 2.84Å; S1583-T1592 PolarHBondContact O-N 3.26Å; S1583-T1592 WeakPolarHBondContact OG-CB 3.37Å; T1592-V1660 HydrophobicContact CG2-CG2 3.96Å
1593L91.4Very high84.2Confident2 Ų271.1 Ų71.11%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-91.9143.7177.6-60.9-172.4000111.7T1580 I1581 I1591 L1595 L1603 F1659 F1661 F1679T1580-L1593 WeakPolarHBondContact O-CA 3.47Å; I1581-L1593 HydrophobicContact CG1-CD2 4.48Å; I1591-L1593 HydrophobicContact CG2-CD2 3.79Å; L1593-L1595 HydrophobicContact CB-CG 4.36Å; L1593-L1595 PolarHBondContact O-N 3.35Å; L1593-L1603 HydrophobicContact CD1-CD1 4.26Å; L1593-F1659 HydrophobicContact CB-CB 4.26Å; L1593-F1659 HydrophobicContact CD1-CB 4.19Å; L1593-F1659 HydrophobicContact CD1-CD1 3.49Å; L1593-F1659 VanDerWaalsContact CD1-CD1 3.49Å; L1593-F1659 HydrophobicContact CD1-CE1 4.22Å; L1593-F1659 HydrophobicContact CD1-CG 4.15Å; L1593-F1659 HydrophobicContact CG-CB 4.39Å; L1593-F1659 HydrophobicContact CG-CD1 3.97Å; L1593-F1659 PolarHBondContact N-O 2.88Å; L1593-F1661 HydrophobicContact CD1-CE1 4.25Å; L1593-F1661 HydrophobicContact CD2-CE1 3.88Å; L1593-F1661 HydrophobicContact CG-CE1 3.98Å; L1593-F1679 HydrophobicContact CD1-CZ 4.45Å; L1593-F1679 HydrophobicContact CD2-CE1 3.57Å; L1593-F1679 HydrophobicContact CD2-CZ 3.73Å
1594H86.8Confident84Confident107 Ų10772.9 Ų72.950%0.49536%0.358SS..EExtended strand (participates in β ladder)trans-79.3116.5167.6-174.773.7000108.8T1580 E1582T1580-H1594 PolarHBondContact O-N 3.47Å; E1582-H1594 HydrophobicContact CB-CB 4.03Å
1595L80.1Confident83.6Confident36 Ų3672.5 Ų72.519%0.18836%0.356CS..  trans-129.6144.6178.3-66.4178.4000109.4L1593 D1599 F1659L1593-L1595 HydrophobicContact CB-CG 4.36Å; L1593-L1595 PolarHBondContact O-N 3.35Å; L1595-D1599 HydrophobicContact CB-CB 4.18Å; L1595-D1599 HydrophobicContact CD2-CB 4.15Å; L1595-F1659 HydrophobicContact CD1-CB 3.63Å
1596E74.3Confident83.1Confident127 Ų12769.5 Ų69.559%0.59334%0.341SS*.  trans-67.1157.4168.8-64-66165.300110.2N1598 D1599 G1657E1596-N1598 PolarHBondContact O-N 3.09Å; E1596-D1599 PolarHBondContact O-N 3.37Å; E1596-G1657 WeakPolarHBondContact O-CA 3.39Å
1597E68.6Low83.1Confident162 Ų16265.8 Ų65.876%0.75732%0.318SS*.THydrogen-bonded Turntrans-53.8-21.4-173.3-166.9-177.5178.400114K1656E1597-K1656 WeakPolarHBondContact O-CE 3.48Å; E1597-K1656 WeakPolarHBondContact O-CG 3.47Å
1598N70.7Confident83.6Confident106 Ų10656.7 Ų56.757%0.56728%0.278SS*.THydrogen-bonded Turntrans-106.8-1.4-179.9-62.4-60000116.3E1596 K1656E1596-N1598 PolarHBondContact O-N 3.09Å; N1598-K1656 VanDerWaalsContact CA-CE 3.43Å; N1598-K1656 WeakPolarHBondContact OD1-CE 3.35Å; N1598-K1656 PolarHBondContact OD1-NZ 3.11Å
1599D70.3Confident84.2Confident84 Ų8452.3 Ų52.345%0.44926%0.255SS..  trans-91.4155.3-174.9-79.8-8.5000113.4L1595 E1596 G1657L1595-D1599 HydrophobicContact CB-CB 4.18Å; L1595-D1599 HydrophobicContact CD2-CB 4.15Å; E1596-D1599 PolarHBondContact O-N 3.37Å; D1599-G1657 PolarHBondContact O-N 2.95Å
1600Y78Confident84.5Confident141 Ų14147.5 Ų47.555%0.55324%0.237SC*.  trans-121.4150.3171.4-73.7-99.6000109.7K1656Y1600-K1656 HydrophobicContact CD2-CG 4.45Å; Y1600-K1656 HydrophobicContact CE1-CB 4.17Å; Y1600-K1656 VanDerWaalsContact CE1-N 3.31Å; Y1600-K1656 HydrophobicContact CE2-CB 3.87Å; Y1600-K1656 HydrophobicContact CE2-CD 4.48Å; Y1600-K1656 HydrophobicContact CE2-CG 3.73Å
1601G85.3Confident84.5Confident11 Ų1146.7 Ų46.711%0.11323%0.232CC..  trans-72.4139.1175.500000112.3F1659G1601-F1659 VanDerWaalsContact CA-CD2 3.45Å
1602S87.8Confident84.2Confident39 Ų3948.4 Ų48.427%0.27324%0.241SC..  trans-98.2-1-175.258.70000114.8Y1578 R1690Y1578-S1602 PolarHBondContact N-OG 2.91Å; S1602-R1690 PolarHBondContact O-NH2 3.41Å
1603L90Very high84Confident4 Ų448.5 Ų48.52%0.02124%0.238CC..  trans-76.5148.7-178.2-72.3170.4000112.8L1593 D1607 V1648 I1651 F1659 F1661 F1679L1593-L1603 HydrophobicContact CD1-CD1 4.26Å; L1603-D1607 HydrophobicContact CD2-CB 4.41Å; L1603-V1648 HydrophobicContact CB-CG2 4.12Å; L1603-V1648 HydrophobicContact CD1-CG2 4.08Å; L1603-V1648 HydrophobicContact CD2-CG2 4.09Å; L1603-V1648 HydrophobicContact CG-CG2 4.35Å; L1603-I1651 WeakPolarHBondContact O-CD1 3.45Å; L1603-F1659 HydrophobicContact CB-CE1 3.89Å; L1603-F1659 HydrophobicContact CB-CZ 3.89Å; L1603-F1659 HydrophobicContact CD1-CE1 4Å; L1603-F1659 HydrophobicContact CG-CE1 4.5Å; L1603-F1661 HydrophobicContact CD1-CD1 4.15Å; L1603-F1661 HydrophobicContact CD1-CE1 3.54Å; L1603-F1661 HydrophobicContact CD1-CE2 4.35Å; L1603-F1661 HydrophobicContact CD1-CZ 3.66Å; L1603-F1679 HydrophobicContact CD1-CE2 3.75Å; L1603-F1679 HydrophobicContact CD1-CZ 3.73Å; L1603-F1679 HydrophobicContact CD2-CE2 4.03Å; L1603-F1679 HydrophobicContact CG-CE2 4.34Å
1604Q84.9Confident83.6Confident93 Ų9350 Ų5044%0.43525%0.251SS..  trans-126.3154.2173.6-64.9-172.8-2.800111.6G1606 D1607 V1648Q1604-G1606 PolarHBondContact O-N 3.29Å; Q1604-D1607 PolarHBondContact N-OD2 3Å; Q1604-D1607 VanDerWaalsContact O-CB 3.31Å; Q1604-D1607 WeakPolarHBondContact O-CB 3.44Å; Q1604-D1607 VanDerWaalsContact O-CG 3.29Å; Q1604-D1607 PolarHBondContact O-N 3.21Å; Q1604-D1607 VanDerWaalsContact O-N 3.12Å; Q1604-V1648 WeakPolarHBondContact O-CB 3.29Å
1605V81.1Confident83.5Confident25 Ų2545.6 Ų45.615%0.15223%0.231CC..THydrogen-bonded Turntrans-57.7127.7176.6172.50000110.6V1648 M1649 I1651 T1686 V1848 T1896V1605-V1648 HydrophobicContact CG2-CG1 4.47Å; V1605-M1649 WeakPolarHBondContact CG1-O 3.48Å; V1605-I1651 HydrophobicContact CG2-CD1 4.34Å; V1605-I1651 HydrophobicContact CG2-CG1 4.18Å; V1605-T1686 PolarHBondContact O-OG1 3.46Å; V1605-V1848 HydrophobicContact CG1-CG1 4.18Å; V1605-V1848 HydrophobicContact CG2-CG1 4.48Å; V1605-T1896 HydrophobicContact CG1-CG2 4.12Å
1606G80Confident83.4Confident3 Ų350 Ų503%0.03125%0.253CS..THydrogen-bonded Turntrans93-4.1-177.500000115.4Q1604 I1608 V1648 S1684 F1685Q1604-G1606 PolarHBondContact O-N 3.29Å; G1606-I1608 PolarHBondContact O-N 3.39Å; G1606-V1648 PolarHBondContact N-O 3.25Å; G1606-S1684 PolarHBondContact O-OG 3.21Å; G1606-F1685 PolarHBondContact O-N 3.17Å
1607D89.2Confident83.5Confident1 Ų151.1 Ų51.11%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-59.7134.2170.3-79.3-16.1000110.8L1603 Q1604 Y1647 V1648 Q1681 R1690L1603-D1607 HydrophobicContact CD2-CB 4.41Å; Q1604-D1607 PolarHBondContact N-OD2 3Å; Q1604-D1607 VanDerWaalsContact O-CB 3.31Å; Q1604-D1607 WeakPolarHBondContact O-CB 3.44Å; Q1604-D1607 VanDerWaalsContact O-CG 3.29Å; Q1604-D1607 PolarHBondContact O-N 3.21Å; Q1604-D1607 VanDerWaalsContact O-N 3.12Å; D1607-Y1647 WeakPolarHBondContact O-CA 3.46Å; D1607-Y1647 VanDerWaalsContact O-CB 3.3Å; D1607-Y1647 WeakPolarHBondContact O-CB 3.29Å; D1607-V1648 HydrophobicContact CB-CG2 4.11Å; D1607-V1648 PolarHBondContact O-N 3.28Å; D1607-V1648 VanDerWaalsContact O-N 3.14Å; D1607-Q1681 HydrophobicContact CB-CG 3.82Å; D1607-R1690 IonicContact OD1-CZ 2.72Å; D1607-R1690 IonicContact OD1-NE 3.65Å; D1607-R1690 PolarHBondContact OD1-NE 3.42Å; D1607-R1690 IonicContact OD1-NH2 3.82Å; D1607-R1690 IonicContact OD2-CZ 3.7Å; D1607-R1690 IonicContact OD2-NE 2.86Å; D1607-R1690 PolarHBondContact OD2-NE 2.94Å; D1607-R1690 IonicContact OD2-NH2 2.66Å; D1607-R1690 PolarHBondContact OD2-NH2 2.89Å
1608I91.3Very high84.3Confident0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-97.7118.6177.6-44.5176.1000108G1606 Q1681 Y1682 G1683 F1685 W1713G1606-I1608 PolarHBondContact O-N 3.39Å; I1608-Q1681 WeakPolarHBondContact O-CA 3.4Å; I1608-Y1682 HydrophobicContact CB-CE1 4.29Å; I1608-Y1682 HydrophobicContact CG2-CE1 3.69Å; I1608-Y1682 HydrophobicContact CG2-CE2 4.14Å; I1608-Y1682 VanDerWaalsContact CG2-CZ 3.41Å; I1608-Y1682 WeakPolarHBondContact CG2-OH 3.18Å; I1608-Y1682 WeakPolarHBondContact O-CD1 3.5Å; I1608-Y1682 PolarHBondContact O-N 3.03Å; I1608-G1683 PolarHBondContact N-O 3.37Å; I1608-F1685 HydrophobicContact CD1-CD1 3.78Å; I1608-F1685 HydrophobicContact CD1-CD2 4.06Å; I1608-F1685 HydrophobicContact CD1-CE1 3.64Å; I1608-F1685 HydrophobicContact CD1-CE2 3.95Å; I1608-F1685 HydrophobicContact CD1-CG 3.97Å; I1608-F1685 HydrophobicContact CD1-CZ 3.71Å; I1608-F1685 HydrophobicContact CG1-CD1 4.34Å; I1608-F1685 HydrophobicContact CG1-CD2 3.69Å; I1608-F1685 HydrophobicContact CG1-CE1 4.28Å; I1608-F1685 HydrophobicContact CG1-CE2 3.63Å; I1608-F1685 HydrophobicContact CG1-CG 4.04Å; I1608-F1685 HydrophobicContact CG1-CZ 3.92Å; I1608-F1685 HydrophobicContact CG2-CE2 4.5Å; I1608-W1713 HydrophobicContact CG2-CD2 4.23Å; I1608-W1713 HydrophobicContact CG2-CE3 3.44Å; I1608-W1713 VanDerWaalsContact CG2-CE3 3.44Å; I1608-W1713 HydrophobicContact CG2-CH2 4.13Å; I1608-W1713 HydrophobicContact CG2-CZ3 3.37Å
1609C94.2Very high84.8Confident0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-117.2147.5-171.6-62.60000112.2F1646 F1679 A1680C1609-F1646 WeakPolarHBondContact CA-O 3.46Å; C1609-F1646 HydrophobicContact CB-CD1 4.42Å; C1609-F1646 HydrophobicContact CB-CD2 4.04Å; C1609-F1646 HydrophobicContact CB-CE1 4.08Å; C1609-F1646 HydrophobicContact CB-CE2 3.65Å; C1609-F1646 HydrophobicContact CB-CG 4.42Å; C1609-F1646 HydrophobicContact CB-CZ 3.69Å; C1609-F1646 WeakPolarHBondContact CB-O 3.46Å; C1609-F1646 PolarHBondContact N-O 3.1Å; C1609-F1646 PolarHBondContact O-N 3.45Å; C1609-F1679 HydrophobicContact CB-CD2 3.97Å; C1609-A1680 WeakPolarHBondContact CA-O 3.46Å
1610R93.2Very high85.6Confident7 Ų745.2 Ų45.23%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-127.6136.4173.5-179-176.2-163.5-134.76.1109.5E1571 D1631 V1636 T1644 Y1645 F1679 A1680 Y1682E1571-R1610 VanDerWaalsContact CD-NH1 3.33Å; E1571-R1610 IonicContact OE1-CZ 3.42Å; E1571-R1610 IonicContact OE1-NH1 3.33Å; E1571-R1610 PolarHBondContact OE1-NH1 2.92Å; E1571-R1610 IonicContact OE2-NH1 3.06Å; E1571-R1610 PolarHBondContact OE2-NH1 3.33Å; E1571-R1610 VanDerWaalsContact OE2-NH1 3.12Å; R1610-D1631 IonicContact NH2-OD2 2.79Å; R1610-D1631 PolarHBondContact NH2-OD2 3.38Å; R1610-D1631 VanDerWaalsContact NH2-OD2 3.1Å; R1610-V1636 PolarHBondContact NH2-O 2.92Å; R1610-T1644 WeakPolarHBondContact CA-O 3.26Å; R1610-Y1645 HydrophobicContact CB-CD1 4.18Å; R1610-Y1645 HydrophobicContact CB-CE1 3.95Å; R1610-Y1645 HydrophobicContact CG-CD1 4.24Å; R1610-Y1645 HydrophobicContact CG-CE1 3.69Å; R1610-Y1645 PolarHBondContact NE-OH 2.92Å; R1610-F1679 VanDerWaalsContact O-CA 3.31Å; R1610-F1679 WeakPolarHBondContact O-CA 3.45Å; R1610-F1679 VanDerWaalsContact O-CB 3.32Å; R1610-F1679 WeakPolarHBondContact O-CB 3.26Å; R1610-A1680 PolarHBondContact N-O 3.03Å; R1610-A1680 PolarHBondContact O-N 3.01Å; R1610-Y1682 HydrophobicContact CB-CD1 3.81Å; R1610-Y1682 HydrophobicContact CB-CE1 3.81Å
1611G91.1Very high85.9Confident2 Ų239.7 Ų39.72%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-126.7143.2170.500000111.3S1643 T1644G1611-S1643 WeakPolarHBondContact O-CA 3.45Å; G1611-T1644 PolarHBondContact N-O 3.34Å; G1611-T1644 VanDerWaalsContact N-O 3.12Å; G1611-T1644 PolarHBondContact O-N 3.45Å
1612L88.5Confident85.9Confident36 Ų3639.2 Ų39.219%0.18823%0.225CC..EExtended strand (participates in β ladder)trans-119.5122.7174.7-73.6168.5000108.2E1571 S1643E1571-L1612 HydrophobicContact CG-CD1 4.25Å; L1612-S1643 VanDerWaalsContact CD2-OG 3.31Å; L1612-S1643 WeakPolarHBondContact CD2-OG 3.44Å
1613Y88.2Confident85.7Confident33 Ų3340.9 Ų40.913%0.12923%0.231CC..EExtended strand (participates in β ladder)trans-140.2151.2-178.5-158.3-104.6000112.2P1558 D1615 F1641 F1642 C1674 Y1676 M1677P1558-Y1613 VanDerWaalsContact CB-OH 3.27Å; P1558-Y1613 WeakPolarHBondContact CB-OH 3.4Å; Y1613-D1615 PolarHBondContact O-N 3.48Å; Y1613-F1641 CarbonylContact O-C 3.52Å; Y1613-F1641 WeakPolarHBondContact O-CA 3.22Å; Y1613-F1642 HydrophobicContact CD1-CE1 4.2Å; Y1613-F1642 PolarHBondContact N-O 3.07Å; Y1613-F1642 VanDerWaalsContact N-O 3.17Å; Y1613-F1642 WeakPolarHBondContact O-CD1 3.49Å; Y1613-F1642 PolarHBondContact O-N 3.13Å; Y1613-C1674 VanDerWaalsContact CD1-SG 3.54Å; Y1613-Y1676 WeakPolarHBondContact CE2-O 3.41Å; Y1613-M1677 VanDerWaalsContact CB-CE 3.4Å; Y1613-M1677 HydrophobicContact CD2-CB 3.94Å; Y1613-M1677 HydrophobicContact CD2-CG 4.32Å; Y1613-M1677 HydrophobicContact CG-CB 4.3Å; Y1613-M1677 HydrophobicContact CG-CE 4.27Å
1614A83Confident85.5Confident33 Ų3349 Ų4927%0.27327%0.266SS..EExtended strand (participates in β ladder)trans-65.1125.8-178.900000109.7I1616 F1641A1614-I1616 HydrophobicContact CB-CG1 4.03Å; A1614-I1616 PolarHBondContact O-N 3.49Å; A1614-F1641 HydrophobicContact CB-CD1 4.36Å; A1614-F1641 HydrophobicContact CB-CE1 4.01Å; A1614-F1641 HydrophobicContact CB-CZ 4.3Å
1615D84.5Confident85.4Confident14 Ų1445.9 Ų45.98%0.07525%0.252CS..  trans-85.869.9175.7-166.79.1000108.7Y1613 D1617 N1618 A1619 H1620 G1621 A1622 G1640 F1642Y1613-D1615 PolarHBondContact O-N 3.48Å; D1615-D1617 VanDerWaalsContact C-N 3.29Å; D1615-D1617 PolarHBondContact O-N 2.9Å; D1615-N1618 WeakPolarHBondContact O-CA 3.27Å; D1615-N1618 PolarHBondContact O-N 3.15Å; D1615-N1618 WeakPolarHBondContact OD1-CA 3.37Å; D1615-N1618 PolarHBondContact OD1-N 3.04Å; D1615-N1618 VanDerWaalsContact OD2-C 3.31Å; D1615-N1618 WeakPolarHBondContact OD2-CA 3.36Å; D1615-A1619 PolarHBondContact OD1-N 3.35Å; D1615-A1619 PolarHBondContact OD2-N 3.06Å; D1615-H1620 IonicContact OD1-CD2 3.02Å; D1615-H1620 PolarHBondContact OD1-N 3.31Å; D1615-H1620 WeakPolarHBondContact OD2-CA 3.45Å; D1615-H1620 WeakPolarHBondContact OD2-CB 3.18Å; D1615-H1620 PolarHBondContact OD2-N 3.01Å; D1615-G1621 PolarHBondContact OD2-N 3.1Å; D1615-A1622 HydrophobicContact CB-CB 3.52Å; D1615-A1622 WeakPolarHBondContact OD2-CB 3.37Å; D1615-A1622 PolarHBondContact OD2-N 3.13Å; D1615-G1640 PolarHBondContact N-O 2.75Å; D1615-F1642 HydrophobicContact CB-CB 4.39Å; D1615-F1642 HydrophobicContact CB-CD1 3.92Å
1616I76.6Confident85.3Confident129 Ų12952.2 Ų52.266%0.66228%0.28SS*.THydrogen-bonded Turntrans-56.4-42.7-168-62.1173.8000111.7A1614 N1618A1614-I1616 HydrophobicContact CB-CG1 4.03Å; A1614-I1616 PolarHBondContact O-N 3.49Å; I1616-N1618 VanDerWaalsContact C-N 3.31Å
1617D78.1Confident85.5Confident150 Ų15055.4 Ų55.480%0.80229%0.294SS*.THydrogen-bonded Turntrans-90.32.1177.9-65.1-36.5000113.1D1615 A1619D1615-D1617 VanDerWaalsContact C-N 3.29Å; D1615-D1617 PolarHBondContact O-N 2.9Å; D1617-A1619 PolarHBondContact O-N 3.22Å
1618N84.4Confident84.6Confident54 Ų5457 Ų5729%0.28931%0.311SS..  trans53.335.8-174.3-16449.8000112.9D1615 I1616 H1620 G1621 A1622 D1623D1615-N1618 WeakPolarHBondContact O-CA 3.27Å; D1615-N1618 PolarHBondContact O-N 3.15Å; D1615-N1618 WeakPolarHBondContact OD1-CA 3.37Å; D1615-N1618 PolarHBondContact OD1-N 3.04Å; D1615-N1618 VanDerWaalsContact OD2-C 3.31Å; D1615-N1618 WeakPolarHBondContact OD2-CA 3.36Å; I1616-N1618 VanDerWaalsContact C-N 3.31Å; N1618-H1620 PolarHBondContact O-N 3.37Å; N1618-G1621 PolarHBondContact O-N 3.1Å; N1618-G1621 VanDerWaalsContact OD1-C 3.24Å; N1618-G1621 WeakPolarHBondContact OD1-CA 3.48Å; N1618-A1622 PolarHBondContact OD1-N 2.77Å; N1618-D1623 PolarHBondContact ND2-OD1 3.46Å; N1618-D1623 PolarHBondContact ND2-OD2 3.37Å; N1618-D1623 WeakPolarHBondContact OD1-CB 3.38Å; N1618-D1623 PolarHBondContact OD1-N 3.39Å; N1618-D1623 PolarHBondContact OD1-OD1 2.9Å; N1618-D1623 VanDerWaalsContact OD1-OD1 3.11Å
1619A82Confident84Confident77 Ų7758.5 Ų58.564%0.63632%0.323SS*.THydrogen-bonded Turntrans-66.7-24.8-176.600000112D1615 D1617D1615-A1619 PolarHBondContact OD1-N 3.35Å; D1615-A1619 PolarHBondContact OD2-N 3.06Å; D1617-A1619 PolarHBondContact O-N 3.22Å
1620H86Confident83.3Confident98 Ų9862.3 Ų62.345%0.45434%0.343SS..THydrogen-bonded Turntrans-105.15.9178.2-54.9-64000112.8D1615 N1618 A1622 F1642D1615-H1620 IonicContact OD1-CD2 3.02Å; D1615-H1620 PolarHBondContact OD1-N 3.31Å; D1615-H1620 WeakPolarHBondContact OD2-CA 3.45Å; D1615-H1620 WeakPolarHBondContact OD2-CB 3.18Å; D1615-H1620 PolarHBondContact OD2-N 3.01Å; N1618-H1620 PolarHBondContact O-N 3.37Å; H1620-A1622 VanDerWaalsContact C-N 3.3Å; H1620-A1622 PolarHBondContact O-N 2.9Å; H1620-F1642 HydrophobicContact CB-CB 3.83Å; H1620-F1642 HydrophobicContact CB-CG 4.39Å; H1620-F1642 AromaticContact CD2-CD1 3.66Å; H1620-F1642 AromaticContact CD2-CD2 3.82Å; H1620-F1642 AromaticContact CD2-CG 3.52Å
1621G85.1Confident83Confident24 Ų2462.4 Ų62.425%0.24734%0.344CS..  trans6827.5178.100000113.8D1615 N1618 D1623 K1624D1615-G1621 PolarHBondContact OD2-N 3.1Å; N1618-G1621 PolarHBondContact O-N 3.1Å; N1618-G1621 VanDerWaalsContact OD1-C 3.24Å; N1618-G1621 WeakPolarHBondContact OD1-CA 3.48Å; G1621-D1623 PolarHBondContact O-N 3.48Å; G1621-D1623 VanDerWaalsContact O-N 3.17Å; G1621-K1624 PolarHBondContact O-N 2.83Å; G1621-K1624 VanDerWaalsContact O-N 3.15Å
1622A84.9Confident82.5Confident1 Ų167.4 Ų67.41%0.00837%0.371CS..G310 helixtrans-64.5-15.8-178.200000113.9D1615 N1618 H1620 K1624 I1625 G1640 F1641D1615-A1622 HydrophobicContact CB-CB 3.52Å; D1615-A1622 WeakPolarHBondContact OD2-CB 3.37Å; D1615-A1622 PolarHBondContact OD2-N 3.13Å; N1618-A1622 PolarHBondContact OD1-N 2.77Å; H1620-A1622 VanDerWaalsContact C-N 3.3Å; H1620-A1622 PolarHBondContact O-N 2.9Å; A1622-K1624 PolarHBondContact O-N 3.11Å; A1622-I1625 HydrophobicContact CB-CD1 3.93Å; A1622-I1625 WeakPolarHBondContact O-CB 3.34Å; A1622-I1625 PolarHBondContact O-N 2.87Å; A1622-G1640 PolarHBondContact O-N 3.47Å; A1622-F1641 WeakPolarHBondContact CB-O 3.19Å
1623D83.2Confident82.4Confident74 Ų7465.7 Ų65.740%0.39636%0.362SS..G310 helixtrans-64.1-22.5172.876.4-40.4000113.8N1618 G1621 K1639N1618-D1623 PolarHBondContact ND2-OD1 3.46Å; N1618-D1623 PolarHBondContact ND2-OD2 3.37Å; N1618-D1623 WeakPolarHBondContact OD1-CB 3.38Å; N1618-D1623 PolarHBondContact OD1-N 3.39Å; N1618-D1623 PolarHBondContact OD1-OD1 2.9Å; N1618-D1623 VanDerWaalsContact OD1-OD1 3.11Å; G1621-D1623 PolarHBondContact O-N 3.48Å; G1621-D1623 VanDerWaalsContact O-N 3.17Å; D1623-K1639 WeakPolarHBondContact O-CE 3.23Å
1624K85.7Confident82.2Confident175 Ų17566.4 Ų66.476%0.76137%0.368SS*.G310 helixtrans-89.6-8.5177.6-68.3170.8-168.7170.90113.5G1621 A1622 E1626G1621-K1624 PolarHBondContact O-N 2.83Å; G1621-K1624 VanDerWaalsContact O-N 3.15Å; A1622-K1624 PolarHBondContact O-N 3.11Å; K1624-E1626 PolarHBondContact O-N 2.87Å
1625I84.1Confident82.4Confident28 Ų2864.9 Ų64.914%0.14436%0.355CS..PPolyproline II helixtrans-63.7127.8175.9-67.2173.4000108.9A1622 E1627 Q1637 K1639 F1641A1622-I1625 HydrophobicContact CB-CD1 3.93Å; A1622-I1625 WeakPolarHBondContact O-CB 3.34Å; A1622-I1625 PolarHBondContact O-N 2.87Å; I1625-E1627 PolarHBondContact O-N 2.98Å; I1625-Q1637 HydrophobicContact CG2-CB 3.45Å; I1625-Q1637 VanDerWaalsContact CG2-CB 3.45Å; I1625-K1639 WeakPolarHBondContact O-CB 3.29Å; I1625-K1639 WeakPolarHBondContact O-CG 3.33Å; I1625-F1641 VanDerWaalsContact CD1-O 3.31Å; I1625-F1641 WeakPolarHBondContact CD1-O 3.46Å
1626E78.8Confident82.3Confident158 Ų15865 Ų6574%0.73836%0.356SS*.PPolyproline II helixtrans-76.5120.2169.1-70-172.3171.400108.9K1624 G1628 A1629K1624-E1626 PolarHBondContact O-N 2.87Å; E1626-G1628 PolarHBondContact O-N 3.43Å; E1626-G1628 VanDerWaalsContact O-N 3.17Å; E1626-A1629 HydrophobicContact CB-CB 4.24Å; E1626-A1629 WeakPolarHBondContact O-CB 3.45Å; E1626-A1629 PolarHBondContact O-N 3.12Å
1627E82.5Confident82.7Confident70 Ų7061.1 Ų61.133%0.32734%0.335SS..THydrogen-bonded Turntrans-57.6120.4179.7-175.373.8-148.800110.3I1625 H1638 K1639 R1699I1625-E1627 PolarHBondContact O-N 2.98Å; E1627-H1638 IonicContact OE1-CE1 3.02Å; E1627-H1638 IonicContact OE1-CG 3.01Å; E1627-H1638 IonicContact OE1-ND1 3.83Å; E1627-H1638 PolarHBondContact OE1-ND1 2.75Å; E1627-K1639 HydrophobicContact CB-CB 4.29Å; E1627-K1639 PolarHBondContact OE2-N 3.44Å; E1627-R1699 WeakPolarHBondContact OE1-CG 3.45Å; E1627-R1699 IonicContact OE1-NE 3.63Å; E1627-R1699 PolarHBondContact OE1-NE 3.02Å; E1627-R1699 IonicContact OE2-CZ 3.8Å; E1627-R1699 IonicContact OE2-NE 3.88Å; E1627-R1699 IonicContact OE2-NH2 3.62Å
1628G71.1Confident83.1Confident34 Ų3454.1 Ų54.135%0.35130%0.298SS..THydrogen-bonded Turntrans96.6-6.2-176.600000114.9E1626 Q1637E1626-G1628 PolarHBondContact O-N 3.43Å; E1626-G1628 VanDerWaalsContact O-N 3.17Å; G1628-Q1637 PolarHBondContact N-O 2.68Å
1629A79.5Confident83Confident32 Ų3257.1 Ų57.126%0.26431%0.308SS..  trans-63.6151.4171.600000111E1626 V1636 Q1637E1626-A1629 HydrophobicContact CB-CB 4.24Å; E1626-A1629 WeakPolarHBondContact O-CB 3.45Å; E1626-A1629 PolarHBondContact O-N 3.12Å; A1629-V1636 CarbonylContact O-C 3.45Å; A1629-V1636 WeakPolarHBondContact O-CA 3.45Å; A1629-Q1637 PolarHBondContact O-N 3.41Å
1630L79.8Confident83.1Confident79 Ų7954.7 Ų54.741%0.41429%0.291SS..BIsolated β-bridgetrans-95137.7175.6-65173.4000110.3F1635 V1636L1630-F1635 CarbonylContact C-O 3.49Å; L1630-F1635 VanDerWaalsContact CA-O 3.26Å; L1630-F1635 WeakPolarHBondContact CA-O 3.33Å; L1630-V1636 HydrophobicContact CD2-CG2 3.97Å
1631D85.5Confident83.2Confident10 Ų1053 Ų535%0.05328%0.282CS..  trans-78176.3168.15838.2000112.2R1610 C1633 N1634 F1635 Q1637 Y1645R1610-D1631 IonicContact NH2-OD2 2.79Å; R1610-D1631 PolarHBondContact NH2-OD2 3.38Å; R1610-D1631 VanDerWaalsContact NH2-OD2 3.1Å; D1631-C1633 PolarHBondContact O-N 3.36Å; D1631-C1633 WeakPolarHBondContact OD1-CA 3.32Å; D1631-C1633 WeakPolarHBondContact OD1-CB 3.41Å; D1631-C1633 PolarHBondContact OD1-N 2.97Å; D1631-N1634 WeakPolarHBondContact O-CA 3.48Å; D1631-N1634 PolarHBondContact O-N 3.08Å; D1631-N1634 PolarHBondContact OD1-N 3.3Å; D1631-N1634 VanDerWaalsContact OD1-N 3.13Å; D1631-F1635 PolarHBondContact N-O 2.94Å; D1631-F1635 PolarHBondContact OD1-N 3.43Å; D1631-Q1637 HydrophobicContact CB-CG 3.69Å; D1631-Y1645 PolarHBondContact OD1-OH 2.78Å; D1631-Y1645 PolarHBondContact OD2-OH 3.01Å
1632D80.9Confident83.4Confident107 Ų10752.6 Ų52.657%0.57227%0.274SS*.THydrogen-bonded Turntrans-66.7-11.7177.151.4-41.9000113.9K1666D1632-K1666 IonicContact OD2-NZ 3.04Å; D1632-K1666 PolarHBondContact OD2-NZ 3.17Å
1633C86.2Confident83.6Confident0 Ų053.4 Ų53.40%028%0.279CS..THydrogen-bonded Turntrans-95.34.4169.7-64.10000112.5D1631 F1635 Y1645 W1713 V1715D1631-C1633 PolarHBondContact O-N 3.36Å; D1631-C1633 WeakPolarHBondContact OD1-CA 3.32Å; D1631-C1633 WeakPolarHBondContact OD1-CB 3.41Å; D1631-C1633 PolarHBondContact OD1-N 2.97Å; C1633-F1635 HydrophobicContact CB-CD2 4.08Å; C1633-Y1645 HydrophobicContact CB-CE1 3.85Å; C1633-Y1645 HydrophobicContact CB-CE2 4.33Å; C1633-W1713 WeakPolarHBondContact CB-O 3.27Å; C1633-V1715 PolarHBondContact O-N 2.86Å; C1633-V1715 VanDerWaalsContact O-N 3.11Å
1634N83.6Confident84.1Confident48 Ų4849.9 Ų49.926%0.25726%0.261SS..SBendtrans63.629.5-175.6-62.3-52.1000114.8D1631 E1714 V1715 R1720D1631-N1634 WeakPolarHBondContact O-CA 3.48Å; D1631-N1634 PolarHBondContact O-N 3.08Å; D1631-N1634 PolarHBondContact OD1-N 3.3Å; D1631-N1634 VanDerWaalsContact OD1-N 3.13Å; N1634-E1714 VanDerWaalsContact ND2-CG 3.35Å; N1634-E1714 WeakPolarHBondContact ND2-CG 3.31Å; N1634-E1714 PolarHBondContact ND2-OE1 2.81Å; N1634-V1715 WeakPolarHBondContact CB-O 3.46Å; N1634-V1715 PolarHBondContact ND2-O 3.43Å; N1634-V1715 VanDerWaalsContact ND2-O 3.09Å; N1634-R1720 PolarHBondContact O-NH2 3.43Å
1635F87.7Confident84.3Confident0 Ų042 Ų420%023%0.226CC..PPolyproline II helixtrans-101.3157.6168.5-73.2-75.8000111.9W1573 L1630 D1631 C1633 Y1645 Y1682 Y1695 L1707 V1715W1573-F1635 AromaticContact CH2-CE1 3.53Å; W1573-F1635 HydrophobicContact CH2-CE1 3.53Å; W1573-F1635 AromaticContact CH2-CZ 3.76Å; W1573-F1635 HydrophobicContact CH2-CZ 3.76Å; W1573-F1635 HydrophobicContact CZ2-CD1 4.49Å; W1573-F1635 AromaticContact CZ2-CE1 3.89Å; W1573-F1635 HydrophobicContact CZ2-CE1 3.89Å; W1573-F1635 HydrophobicContact CZ2-CZ 4.37Å; L1630-F1635 CarbonylContact C-O 3.49Å; L1630-F1635 VanDerWaalsContact CA-O 3.26Å; L1630-F1635 WeakPolarHBondContact CA-O 3.33Å; D1631-F1635 PolarHBondContact N-O 2.94Å; D1631-F1635 PolarHBondContact OD1-N 3.43Å; C1633-F1635 HydrophobicContact CB-CD2 4.08Å; F1635-Y1645 HydrophobicContact CD2-CE1 4.32Å; F1635-Y1682 AromaticContact CE2-CD2 3.99Å; F1635-Y1682 HydrophobicContact CE2-CD2 3.99Å; F1635-Y1682 HydrophobicContact CE2-CE2 4.02Å; F1635-Y1682 HydrophobicContact CE2-CG 4.41Å; F1635-Y1682 AromaticContact CZ-CD2 3.99Å; F1635-Y1682 HydrophobicContact CZ-CD2 3.99Å; F1635-Y1682 HydrophobicContact CZ-CE2 4.47Å; F1635-Y1682 HydrophobicContact CZ-CG 4.26Å; F1635-Y1695 HydrophobicContact CE1-CE1 4.1Å; F1635-L1707 HydrophobicContact CE1-CD1 4.13Å; F1635-L1707 HydrophobicContact CZ-CD1 3.98Å; F1635-V1715 HydrophobicContact CD2-CG2 4.41Å; F1635-V1715 HydrophobicContact CE1-CG2 4.47Å; F1635-V1715 HydrophobicContact CE2-CG2 3.49Å; F1635-V1715 VanDerWaalsContact CE2-CG2 3.49Å; F1635-V1715 HydrophobicContact CZ-CG2 3.54Å
1636V82Confident84.8Confident16 Ų1640.7 Ų40.710%0.09722%0.219CC..BIsolated β-bridgetrans-70.4134.5177.2178.50000109.7R1610 A1629 L1630 F1703R1610-V1636 PolarHBondContact NH2-O 2.92Å; A1629-V1636 CarbonylContact O-C 3.45Å; A1629-V1636 WeakPolarHBondContact O-CA 3.45Å; L1630-V1636 HydrophobicContact CD2-CG2 3.97Å; V1636-F1703 HydrophobicContact CG2-CZ 4.37Å
1637Q84.6Confident85.2Confident49 Ų4934.4 Ų34.423%0.22919%0.189CC..PPolyproline II helixtrans-96.1145.7171.1-57.9-171.8-51.500110.4I1625 G1628 A1629 D1631I1625-Q1637 HydrophobicContact CG2-CB 3.45Å; I1625-Q1637 VanDerWaalsContact CG2-CB 3.45Å; G1628-Q1637 PolarHBondContact N-O 2.68Å; A1629-Q1637 PolarHBondContact O-N 3.41Å; D1631-Q1637 HydrophobicContact CB-CG 3.69Å
1638H86.6Confident85.4Confident3 Ų331 Ų311%0.01417%0.173CC..  trans-117.5134.1-178.9-62.3-64.2000110.6E1627 G1640 F1641 R1699E1627-H1638 IonicContact OE1-CE1 3.02Å; E1627-H1638 IonicContact OE1-CG 3.01Å; E1627-H1638 IonicContact OE1-ND1 3.83Å; E1627-H1638 PolarHBondContact OE1-ND1 2.75Å; H1638-G1640 PolarHBondContact O-N 3.26Å; H1638-F1641 HydrophobicContact CB-CB 4.21Å; H1638-F1641 HydrophobicContact CB-CD2 4.28Å; H1638-F1641 HydrophobicContact CB-CG 4.42Å; H1638-F1641 PolarHBondContact O-N 3.35Å; H1638-F1641 VanDerWaalsContact O-N 3.11Å; H1638-R1699 PolarHBondContact CE1-O 3.29Å
1639K83.4Confident85.8Confident116 Ų11631.4 Ų31.450%0.50417%0.166SC..THydrogen-bonded Turntrans-64.4127.6-178.9-174.8171.6-177.9164.90110.5D1623 I1625 E1627 R1699D1623-K1639 WeakPolarHBondContact O-CE 3.23Å; I1625-K1639 WeakPolarHBondContact O-CB 3.29Å; I1625-K1639 WeakPolarHBondContact O-CG 3.33Å; E1627-K1639 HydrophobicContact CB-CB 4.29Å; E1627-K1639 PolarHBondContact OE2-N 3.44Å; K1639-R1699 PolarHBondContact O-NH2 3.28Å; K1639-R1699 VanDerWaalsContact O-NH2 3.11Å
1640G84.2Confident85.7Confident27 Ų2731 Ų3128%0.27816%0.159SC..THydrogen-bonded Turntrans83.77-17700000115.1D1615 A1622 H1638D1615-G1640 PolarHBondContact N-O 2.75Å; A1622-G1640 PolarHBondContact O-N 3.47Å; H1638-G1640 PolarHBondContact O-N 3.26Å
1641F88.4Confident85.8Confident63 Ų6329 Ų2928%0.27615%0.148SC..EExtended strand (participates in β ladder)trans-123.6133.1177.8-69-106.4000109.7Y1613 A1614 A1622 I1625 H1638Y1613-F1641 CarbonylContact O-C 3.52Å; Y1613-F1641 WeakPolarHBondContact O-CA 3.22Å; A1614-F1641 HydrophobicContact CB-CD1 4.36Å; A1614-F1641 HydrophobicContact CB-CE1 4.01Å; A1614-F1641 HydrophobicContact CB-CZ 4.3Å; A1622-F1641 WeakPolarHBondContact CB-O 3.19Å; I1625-F1641 VanDerWaalsContact CD1-O 3.31Å; I1625-F1641 WeakPolarHBondContact CD1-O 3.46Å; H1638-F1641 HydrophobicContact CB-CB 4.21Å; H1638-F1641 HydrophobicContact CB-CD2 4.28Å; H1638-F1641 HydrophobicContact CB-CG 4.42Å; H1638-F1641 PolarHBondContact O-N 3.35Å; H1638-F1641 VanDerWaalsContact O-N 3.11Å
1642F89.5Confident85.5Confident15 Ų1531.7 Ų31.77%0.06616%0.162CC..EExtended strand (participates in β ladder)trans-95.3150.617276.5-87.3000110.3Y1613 D1615 H1620 P1671 M1677Y1613-F1642 HydrophobicContact CD1-CE1 4.2Å; Y1613-F1642 PolarHBondContact N-O 3.07Å; Y1613-F1642 VanDerWaalsContact N-O 3.17Å; Y1613-F1642 WeakPolarHBondContact O-CD1 3.49Å; Y1613-F1642 PolarHBondContact O-N 3.13Å; D1615-F1642 HydrophobicContact CB-CB 4.39Å; D1615-F1642 HydrophobicContact CB-CD1 3.92Å; H1620-F1642 HydrophobicContact CB-CB 3.83Å; H1620-F1642 HydrophobicContact CB-CG 4.39Å; H1620-F1642 AromaticContact CD2-CD1 3.66Å; H1620-F1642 AromaticContact CD2-CD2 3.82Å; H1620-F1642 AromaticContact CD2-CG 3.52Å; F1642-P1671 HydrophobicContact CD2-CB 3.49Å; F1642-P1671 VanDerWaalsContact CD2-CB 3.49Å; F1642-P1671 HydrophobicContact CD2-CG 3.88Å; F1642-P1671 HydrophobicContact CE2-CB 3.67Å; F1642-M1677 HydrophobicContact CE2-CE 3.69Å; F1642-M1677 HydrophobicContact CZ-CE 3.61Å
1643S89.1Confident85.4Confident18 Ų1828 Ų2813%0.12614%0.144CC..EExtended strand (participates in β ladder)trans-104.3135.9176.1-54.90000109.9G1611 L1612G1611-S1643 WeakPolarHBondContact O-CA 3.45Å; L1612-S1643 VanDerWaalsContact CD2-OG 3.31Å; L1612-S1643 WeakPolarHBondContact CD2-OG 3.44Å
1644T92Very high85.3Confident0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-114.9146166.6-173.80000110.7R1610 G1611 F1646 P1671 P1673 M1677R1610-T1644 WeakPolarHBondContact CA-O 3.26Å; G1611-T1644 PolarHBondContact N-O 3.34Å; G1611-T1644 VanDerWaalsContact N-O 3.12Å; G1611-T1644 PolarHBondContact O-N 3.45Å; T1644-F1646 HydrophobicContact CG2-CD1 4.07Å; T1644-F1646 HydrophobicContact CG2-CE1 4.12Å; T1644-P1671 WeakPolarHBondContact CB-O 3.23Å; T1644-P1671 PolarHBondContact OG1-O 2.76Å; T1644-P1673 HydrophobicContact CG2-CB 4.39Å; T1644-P1673 HydrophobicContact CG2-CG 4.2Å; T1644-M1677 HydrophobicContact CG2-CE 3.66Å; T1644-M1677 HydrophobicContact CG2-SD 3.32Å; T1644-M1677 WeakPolarHBondContact CG2-SD 3.41Å
1645Y91.6Very high85Confident9 Ų935 Ų354%0.03518%0.177CC..EExtended strand (participates in β ladder)trans-130.4117.6177.1-70-82.3000109R1610 D1631 C1633 F1635 K1666 Y1682 W1713R1610-Y1645 HydrophobicContact CB-CD1 4.18Å; R1610-Y1645 HydrophobicContact CB-CE1 3.95Å; R1610-Y1645 HydrophobicContact CG-CD1 4.24Å; R1610-Y1645 HydrophobicContact CG-CE1 3.69Å; R1610-Y1645 PolarHBondContact NE-OH 2.92Å; D1631-Y1645 PolarHBondContact OD1-OH 2.78Å; D1631-Y1645 PolarHBondContact OD2-OH 3.01Å; C1633-Y1645 HydrophobicContact CB-CE1 3.85Å; C1633-Y1645 HydrophobicContact CB-CE2 4.33Å; F1635-Y1645 HydrophobicContact CD2-CE1 4.32Å; Y1645-K1666 PolarHBondContact O-N 3.4Å; Y1645-K1666 VanDerWaalsContact O-N 3.12Å; Y1645-Y1682 HydrophobicContact CD1-CE1 4.12Å; Y1645-Y1682 HydrophobicContact CE1-CE1 4.27Å; Y1645-W1713 HydrophobicContact CD1-CE3 4.41Å
1646F92.9Very high84.3Confident0 Ų040.2 Ų40.20%020%0.2CC..EExtended strand (participates in β ladder)trans-143.9161.6-178.965.2-86.8000111.1I1591 C1609 T1644 F1661 Y1663 G1664 P1673 F1679 W1713I1591-F1646 HydrophobicContact CD1-CD2 4.3Å; I1591-F1646 HydrophobicContact CD1-CE2 3.95Å; I1591-F1646 HydrophobicContact CD1-CZ 4.22Å; C1609-F1646 WeakPolarHBondContact CA-O 3.46Å; C1609-F1646 HydrophobicContact CB-CD1 4.42Å; C1609-F1646 HydrophobicContact CB-CD2 4.04Å; C1609-F1646 HydrophobicContact CB-CE1 4.08Å; C1609-F1646 HydrophobicContact CB-CE2 3.65Å; C1609-F1646 HydrophobicContact CB-CG 4.42Å; C1609-F1646 HydrophobicContact CB-CZ 3.69Å; C1609-F1646 WeakPolarHBondContact CB-O 3.46Å; C1609-F1646 PolarHBondContact N-O 3.1Å; C1609-F1646 PolarHBondContact O-N 3.45Å; T1644-F1646 HydrophobicContact CG2-CD1 4.07Å; T1644-F1646 HydrophobicContact CG2-CE1 4.12Å; F1646-F1661 HydrophobicContact CD2-CE2 4.44Å; F1646-F1661 AromaticContact CE2-CE2 4Å; F1646-F1661 HydrophobicContact CE2-CE2 4Å; F1646-F1661 HydrophobicContact CE2-CZ 4.1Å; F1646-Y1663 HydrophobicContact CB-CD2 4Å; F1646-G1664 CarbonylContact C-O 3.59Å; F1646-G1664 WeakPolarHBondContact CA-O 3.41Å; F1646-G1664 WeakPolarHBondContact CB-O 3.28Å; F1646-P1673 HydrophobicContact CB-CG 4.35Å; F1646-P1673 HydrophobicContact CD1-CB 4.37Å; F1646-P1673 HydrophobicContact CD1-CG 3.42Å; F1646-P1673 VanDerWaalsContact CD1-CG 3.42Å; F1646-P1673 HydrophobicContact CE1-CB 4.22Å; F1646-P1673 HydrophobicContact CE1-CG 3.73Å; F1646-P1673 HydrophobicContact CG-CG 3.88Å; F1646-P1673 HydrophobicContact CZ-CG 4.44Å; F1646-F1679 HydrophobicContact CE1-CB 4.32Å; F1646-F1679 HydrophobicContact CE1-CG 4.34Å; F1646-F1679 HydrophobicContact CE2-CD2 4.36Å; F1646-F1679 HydrophobicContact CE2-CE2 4.44Å; F1646-F1679 HydrophobicContact CZ-CB 4.17Å; F1646-F1679 HydrophobicContact CZ-CD1 4.15Å; F1646-F1679 AromaticContact CZ-CD2 3.68Å; F1646-F1679 HydrophobicContact CZ-CD2 3.68Å; F1646-F1679 HydrophobicContact CZ-CE2 4.12Å; F1646-F1679 AromaticContact CZ-CG 3.71Å; F1646-F1679 HydrophobicContact CZ-CG 3.71Å; F1646-W1713 VanDerWaalsContact C-CH2 3.47Å
1647Y88.1Confident84Confident26 Ų2640.7 Ų40.710%0.10221%0.207CC..EExtended strand (participates in β ladder)trans-124.2152.5174.473.6-82.5000110.4D1607 M1649 Y1663 G1664 F1685 W1713D1607-Y1647 WeakPolarHBondContact O-CA 3.46Å; D1607-Y1647 VanDerWaalsContact O-CB 3.3Å; D1607-Y1647 WeakPolarHBondContact O-CB 3.29Å; Y1647-M1649 HydrophobicContact CD2-CG 4.01Å; Y1647-M1649 HydrophobicContact CE1-CG 4.16Å; Y1647-M1649 HydrophobicContact CE2-CB 4.21Å; Y1647-M1649 HydrophobicContact CE2-CG 3.26Å; Y1647-M1649 PolarHBondContact O-N 3.13Å; Y1647-M1649 VanDerWaalsContact O-N 3.11Å; Y1647-M1649 WeakPolarHBondContact OH-CG 3.43Å; Y1647-Y1663 VanDerWaalsContact O-CA 3.29Å; Y1647-Y1663 WeakPolarHBondContact O-CA 3.22Å; Y1647-G1664 WeakPolarHBondContact CD1-O 3.48Å; Y1647-G1664 VanDerWaalsContact CE1-CA 3.46Å; Y1647-G1664 PolarHBondContact N-O 2.86Å; Y1647-G1664 PolarHBondContact O-N 3.2Å; Y1647-F1685 HydrophobicContact CD1-CE2 4.48Å; Y1647-F1685 HydrophobicContact CG-CD2 4.49Å; Y1647-F1685 HydrophobicContact CG-CE2 4.19Å; Y1647-W1713 HydrophobicContact CD1-CH2 4.02Å; Y1647-W1713 AromaticContact CD1-CZ2 3.87Å; Y1647-W1713 HydrophobicContact CD1-CZ2 3.87Å
1648V86.7Confident83.9Confident0 Ų043.4 Ų43.40%022%0.219CC..EExtended strand (participates in β ladder)trans-72.5105.8176.1-177.80000107.9L1603 Q1604 V1605 G1606 D1607 I1651 F1661L1603-V1648 HydrophobicContact CB-CG2 4.12Å; L1603-V1648 HydrophobicContact CD1-CG2 4.08Å; L1603-V1648 HydrophobicContact CD2-CG2 4.09Å; L1603-V1648 HydrophobicContact CG-CG2 4.35Å; Q1604-V1648 WeakPolarHBondContact O-CB 3.29Å; V1605-V1648 HydrophobicContact CG2-CG1 4.47Å; G1606-V1648 PolarHBondContact N-O 3.25Å; D1607-V1648 HydrophobicContact CB-CG2 4.11Å; D1607-V1648 PolarHBondContact O-N 3.28Å; D1607-V1648 VanDerWaalsContact O-N 3.14Å; V1648-I1651 HydrophobicContact CG1-CG1 4.01Å; V1648-F1661 HydrophobicContact CB-CD2 4.39Å; V1648-F1661 HydrophobicContact CG1-CB 4.3Å; V1648-F1661 HydrophobicContact CG1-CD2 3.98Å; V1648-F1661 HydrophobicContact CG1-CG 4.33Å; V1648-F1661 HydrophobicContact CG2-CD2 4.16Å; V1648-F1661 HydrophobicContact CG2-CE2 4.08Å
1649M80.6Confident84.1Confident41 Ų4143.3 Ų43.320%0.20222%0.218CC..EExtended strand (participates in β ladder)trans-76.3-58.4175.9-80.3178.459.200109.8V1605 Y1647 Q1662 Y1663 G1664 V1848V1605-M1649 WeakPolarHBondContact CG1-O 3.48Å; Y1647-M1649 HydrophobicContact CD2-CG 4.01Å; Y1647-M1649 HydrophobicContact CE1-CG 4.16Å; Y1647-M1649 HydrophobicContact CE2-CB 4.21Å; Y1647-M1649 HydrophobicContact CE2-CG 3.26Å; Y1647-M1649 PolarHBondContact O-N 3.13Å; Y1647-M1649 VanDerWaalsContact O-N 3.11Å; Y1647-M1649 WeakPolarHBondContact OH-CG 3.43Å; M1649-Q1662 WeakPolarHBondContact CA-O 3.37Å; M1649-Q1662 HydrophobicContact CB-CB 4.36Å; M1649-Q1662 WeakPolarHBondContact CB-O 3.36Å; M1649-Q1662 PolarHBondContact N-O 3.37Å; M1649-Y1663 VanDerWaalsContact SD-O 3.39Å; M1649-G1664 WeakPolarHBondContact SD-CA 3.46Å; M1649-G1664 PolarHBondContact SD-N 2.96Å; M1649-G1664 VanDerWaalsContact SD-N 3.39Å; M1649-V1848 HydrophobicContact CB-CG2 4.42Å; M1649-V1848 WeakPolarHBondContact O-CB 3.36Å; M1649-V1848 WeakPolarHBondContact O-CG1 3.26Å; M1649-V1848 WeakPolarHBondContact O-CG2 3.35Å
1650H77Confident84.4Confident23 Ų2338.4 Ų38.411%0.10620%0.198CC..EExtended strand (participates in β ladder)trans-146.5130.9-170.9172.9-113.9000110.3F1661 Q1662 V1848 S1849H1650-F1661 CarbonylContact O-C 3.53Å; H1650-F1661 WeakPolarHBondContact O-CA 3.32Å; H1650-F1661 WeakPolarHBondContact O-CB 3.09Å; H1650-Q1662 HydrophobicContact CB-CB 4.24Å; H1650-Q1662 PolarHBondContact N-O 3.1Å; H1650-Q1662 PolarHBondContact O-N 3.07Å; H1650-V1848 HydrophobicContact CB-CG1 3.83Å; H1650-S1849 PolarHBondContact CD2-O 3.44Å; H1650-S1849 PolarHBondContact CE1-O 3.22Å; H1650-S1849 PolarHBondContact NE2-O 2.76Å
1651I80.9Confident84.6Confident37 Ų3737.1 Ų37.119%0.1919%0.185CC..EExtended strand (participates in β ladder)trans-87.1113.7174.8-61.7171.3000108.6L1603 V1605 V1648 N1654 F1659 F1661L1603-I1651 WeakPolarHBondContact O-CD1 3.45Å; V1605-I1651 HydrophobicContact CG2-CD1 4.34Å; V1605-I1651 HydrophobicContact CG2-CG1 4.18Å; V1648-I1651 HydrophobicContact CG1-CG1 4.01Å; I1651-N1654 HydrophobicContact CG2-CB 4.05Å; I1651-F1659 HydrophobicContact CD1-CE2 4.44Å; I1651-F1659 HydrophobicContact CD1-CZ 3.91Å; I1651-F1659 HydrophobicContact CG1-CZ 4.04Å; I1651-F1659 HydrophobicContact CG2-CE2 3.99Å; I1651-F1659 HydrophobicContact CG2-CZ 3.98Å; I1651-F1661 HydrophobicContact CG1-CB 4.37Å
1652I79.1Confident84.4Confident67 Ų6737.2 Ų37.234%0.34419%0.186SC..EExtended strand (participates in β ladder)trans-81-39.1179.6-64.3162.1000111.3T1590 V1660 Q1662T1590-I1652 HydrophobicContact CG2-CD1 3.49Å; T1590-I1652 VanDerWaalsContact CG2-CD1 3.49Å; I1652-V1660 WeakPolarHBondContact CA-O 3.2Å; I1652-V1660 HydrophobicContact CB-CB 4.22Å; I1652-V1660 HydrophobicContact CB-CG1 4.1Å; I1652-V1660 WeakPolarHBondContact CB-O 3.35Å; I1652-V1660 HydrophobicContact CD1-CG1 3.96Å; I1652-V1660 HydrophobicContact CG2-CG1 4.42Å; I1652-V1660 PolarHBondContact N-O 2.86Å; I1652-Q1662 HydrophobicContact CD1-CG 3.74Å; I1652-Q1662 HydrophobicContact CG1-CG 4.38Å
1653T79.2Confident84.5Confident31 Ų3136.5 Ų36.519%0.1918%0.183CC..EExtended strand (participates in β ladder)trans-149.8133.3-178.2-53.60000109.2E1655 K1658 F1659 V1660T1653-E1655 HydrophobicContact CG2-CB 4.3Å; T1653-E1655 HydrophobicContact CG2-CG 3.86Å; T1653-K1658 HydrophobicContact CG2-CD 4.34Å; T1653-K1658 HydrophobicContact CG2-CG 4.31Å; T1653-F1659 CarbonylContact O-C 3.57Å; T1653-F1659 VanDerWaalsContact O-CA 3.29Å; T1653-F1659 WeakPolarHBondContact O-CA 3.48Å; T1653-V1660 PolarHBondContact N-O 3.14Å; T1653-V1660 PolarHBondContact O-N 3.01Å
1654N83.4Confident84.3Confident75 Ų7535.8 Ų35.840%0.40118%0.178SC..EExtended strand (participates in β ladder)trans-137.681.8171.6-177.810.2000109.2I1651 F1659I1651-N1654 HydrophobicContact CG2-CB 4.05Å; N1654-F1659 HydrophobicContact CB-CD2 3.58Å; N1654-F1659 HydrophobicContact CB-CE2 3.57Å; N1654-F1659 VanDerWaalsContact CG-CD2 3.43Å; N1654-F1659 VanDerWaalsContact OD1-CD2 3.27Å; N1654-F1659 WeakPolarHBondContact OD1-CD2 3.36Å
1655E78.3Confident84.1Confident118 Ų11837.2 Ų37.255%0.55118%0.184SC*.EExtended strand (participates in β ladder)trans-120.9165.5-179.5-66174.9-174.700109.5T1653 G1657 K1658T1653-E1655 HydrophobicContact CG2-CB 4.3Å; T1653-E1655 HydrophobicContact CG2-CG 3.86Å; E1655-G1657 PolarHBondContact O-N 3.19Å; E1655-K1658 PolarHBondContact N-O 3.03Å; E1655-K1658 CarbonylContact O-C 3.59Å; E1655-K1658 PolarHBondContact O-N 2.91Å
1656K73.8Confident83.6Confident111 Ų11139.5 Ų39.548%0.48319%0.194SC..THydrogen-bonded Turntrans-57.2120.5175.1-158.3-175.5167.3-175.20109.8E1597 N1598 Y1600 K1658E1597-K1656 WeakPolarHBondContact O-CE 3.48Å; E1597-K1656 WeakPolarHBondContact O-CG 3.47Å; N1598-K1656 VanDerWaalsContact CA-CE 3.43Å; N1598-K1656 WeakPolarHBondContact OD1-CE 3.35Å; N1598-K1656 PolarHBondContact OD1-NZ 3.11Å; Y1600-K1656 HydrophobicContact CD2-CG 4.45Å; Y1600-K1656 HydrophobicContact CE1-CB 4.17Å; Y1600-K1656 VanDerWaalsContact CE1-N 3.31Å; Y1600-K1656 HydrophobicContact CE2-CB 3.87Å; Y1600-K1656 HydrophobicContact CE2-CD 4.48Å; Y1600-K1656 HydrophobicContact CE2-CG 3.73Å; K1656-K1658 VanDerWaalsContact C-N 3.27Å; K1656-K1658 PolarHBondContact O-N 2.55Å
1657G74.7Confident83Confident25 Ų2540.6 Ų40.626%0.25820%0.202SC..THydrogen-bonded Turntrans73.55.7-17700000115.5E1596 D1599 E1655E1596-G1657 WeakPolarHBondContact O-CA 3.39Å; D1599-G1657 PolarHBondContact O-N 2.95Å; E1655-G1657 PolarHBondContact O-N 3.19Å
1658K83.4Confident82.4Confident107 Ų10742.9 Ų42.947%0.46522%0.222SC..EExtended strand (participates in β ladder)trans-149116-177.5-170.6176.8-178.4-177.30113.1T1653 E1655 K1656 V1660T1653-K1658 HydrophobicContact CG2-CD 4.34Å; T1653-K1658 HydrophobicContact CG2-CG 4.31Å; E1655-K1658 PolarHBondContact N-O 3.03Å; E1655-K1658 CarbonylContact O-C 3.59Å; E1655-K1658 PolarHBondContact O-N 2.91Å; K1656-K1658 VanDerWaalsContact C-N 3.27Å; K1656-K1658 PolarHBondContact O-N 2.55Å; K1658-V1660 HydrophobicContact CG-CG2 4.41Å
1659F88.9Confident82Confident0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-131.7122.2176-166-92.4000111.7L1593 L1595 G1601 L1603 I1651 T1653 N1654 F1661L1593-F1659 HydrophobicContact CB-CB 4.26Å; L1593-F1659 HydrophobicContact CD1-CB 4.19Å; L1593-F1659 HydrophobicContact CD1-CD1 3.49Å; L1593-F1659 VanDerWaalsContact CD1-CD1 3.49Å; L1593-F1659 HydrophobicContact CD1-CE1 4.22Å; L1593-F1659 HydrophobicContact CD1-CG 4.15Å; L1593-F1659 HydrophobicContact CG-CB 4.39Å; L1593-F1659 HydrophobicContact CG-CD1 3.97Å; L1593-F1659 PolarHBondContact N-O 2.88Å; L1595-F1659 HydrophobicContact CD1-CB 3.63Å; G1601-F1659 VanDerWaalsContact CA-CD2 3.45Å; L1603-F1659 HydrophobicContact CB-CE1 3.89Å; L1603-F1659 HydrophobicContact CB-CZ 3.89Å; L1603-F1659 HydrophobicContact CD1-CE1 4Å; L1603-F1659 HydrophobicContact CG-CE1 4.5Å; I1651-F1659 HydrophobicContact CD1-CE2 4.44Å; I1651-F1659 HydrophobicContact CD1-CZ 3.91Å; I1651-F1659 HydrophobicContact CG1-CZ 4.04Å; I1651-F1659 HydrophobicContact CG2-CE2 3.99Å; I1651-F1659 HydrophobicContact CG2-CZ 3.98Å; T1653-F1659 CarbonylContact O-C 3.57Å; T1653-F1659 VanDerWaalsContact O-CA 3.29Å; T1653-F1659 WeakPolarHBondContact O-CA 3.48Å; N1654-F1659 HydrophobicContact CB-CD2 3.58Å; N1654-F1659 HydrophobicContact CB-CE2 3.57Å; N1654-F1659 VanDerWaalsContact CG-CD2 3.43Å; N1654-F1659 VanDerWaalsContact OD1-CD2 3.27Å; N1654-F1659 WeakPolarHBondContact OD1-CD2 3.36Å; F1659-F1661 AromaticContact CD1-CD1 3.73Å; F1659-F1661 HydrophobicContact CD1-CD1 3.73Å; F1659-F1661 HydrophobicContact CD1-CE1 4.27Å; F1659-F1661 HydrophobicContact CE1-CB 4.36Å; F1659-F1661 AromaticContact CE1-CD1 3.54Å; F1659-F1661 HydrophobicContact CE1-CD1 3.54Å; F1659-F1661 HydrophobicContact CE1-CE1 4.18Å; F1659-F1661 HydrophobicContact CE1-CG 4.24Å
1660V91.6Very high82.3Confident14 Ų1447 Ų479%0.08525%0.249CC..EExtended strand (participates in β ladder)trans-131.8132.2-176.2-173.80000109T1590 I1591 T1592 I1652 T1653 K1658T1590-V1660 HydrophobicContact CG2-CG1 3.36Å; I1591-V1660 CarbonylContact O-C 3.54Å; I1591-V1660 VanDerWaalsContact O-CA 3.3Å; I1591-V1660 WeakPolarHBondContact O-CA 3.45Å; T1592-V1660 HydrophobicContact CG2-CG2 3.96Å; I1652-V1660 WeakPolarHBondContact CA-O 3.2Å; I1652-V1660 HydrophobicContact CB-CB 4.22Å; I1652-V1660 HydrophobicContact CB-CG1 4.1Å; I1652-V1660 WeakPolarHBondContact CB-O 3.35Å; I1652-V1660 HydrophobicContact CD1-CG1 3.96Å; I1652-V1660 HydrophobicContact CG2-CG1 4.42Å; I1652-V1660 PolarHBondContact N-O 2.86Å; T1653-V1660 PolarHBondContact N-O 3.14Å; T1653-V1660 PolarHBondContact O-N 3.01Å; K1658-V1660 HydrophobicContact CG-CG2 4.41Å
1661F88Confident82.9Confident0 Ų047.1 Ų47.10%025%0.252CS..EExtended strand (participates in β ladder)trans-147.6152.4179.366.1-84.1000112.2T1590 I1591 L1593 L1603 F1646 V1648 H1650 I1651 F1659 F1679T1590-F1661 CarbonylContact C-O 3.35Å; T1590-F1661 WeakPolarHBondContact CA-O 3.36Å; I1591-F1661 HydrophobicContact CB-CD1 4.33Å; I1591-F1661 HydrophobicContact CB-CE1 3.87Å; I1591-F1661 HydrophobicContact CB-CE2 4.12Å; I1591-F1661 HydrophobicContact CB-CZ 3.75Å; I1591-F1661 HydrophobicContact CD1-CE2 3.87Å; I1591-F1661 HydrophobicContact CD1-CZ 3.8Å; I1591-F1661 HydrophobicContact CG1-CZ 4.38Å; I1591-F1661 HydrophobicContact CG2-CD1 4.3Å; I1591-F1661 HydrophobicContact CG2-CE1 3.51Å; I1591-F1661 HydrophobicContact CG2-CE2 4.47Å; I1591-F1661 HydrophobicContact CG2-CZ 3.61Å; I1591-F1661 PolarHBondContact N-O 3.27Å; I1591-F1661 PolarHBondContact O-N 3.03Å; L1593-F1661 HydrophobicContact CD1-CE1 4.25Å; L1593-F1661 HydrophobicContact CD2-CE1 3.88Å; L1593-F1661 HydrophobicContact CG-CE1 3.98Å; L1603-F1661 HydrophobicContact CD1-CD1 4.15Å; L1603-F1661 HydrophobicContact CD1-CE1 3.54Å; L1603-F1661 HydrophobicContact CD1-CE2 4.35Å; L1603-F1661 HydrophobicContact CD1-CZ 3.66Å; F1646-F1661 HydrophobicContact CD2-CE2 4.44Å; F1646-F1661 AromaticContact CE2-CE2 4Å; F1646-F1661 HydrophobicContact CE2-CE2 4Å; F1646-F1661 HydrophobicContact CE2-CZ 4.1Å; V1648-F1661 HydrophobicContact CB-CD2 4.39Å; V1648-F1661 HydrophobicContact CG1-CB 4.3Å; V1648-F1661 HydrophobicContact CG1-CD2 3.98Å; V1648-F1661 HydrophobicContact CG1-CG 4.33Å; V1648-F1661 HydrophobicContact CG2-CD2 4.16Å; V1648-F1661 HydrophobicContact CG2-CE2 4.08Å; H1650-F1661 CarbonylContact O-C 3.53Å; H1650-F1661 WeakPolarHBondContact O-CA 3.32Å; H1650-F1661 WeakPolarHBondContact O-CB 3.09Å; I1651-F1661 HydrophobicContact CG1-CB 4.37Å; F1659-F1661 AromaticContact CD1-CD1 3.73Å; F1659-F1661 HydrophobicContact CD1-CD1 3.73Å; F1659-F1661 HydrophobicContact CD1-CE1 4.27Å; F1659-F1661 HydrophobicContact CE1-CB 4.36Å; F1659-F1661 AromaticContact CE1-CD1 3.54Å; F1659-F1661 HydrophobicContact CE1-CD1 3.54Å; F1659-F1661 HydrophobicContact CE1-CE1 4.18Å; F1659-F1661 HydrophobicContact CE1-CG 4.24Å; F1661-F1679 HydrophobicContact CZ-CZ 4.25Å
1662Q84.7Confident83.5Confident65 Ų6547.4 Ų47.430%0.30425%0.254SS..EExtended strand (participates in β ladder)trans-84.3144.5167.9-70.8178.7-41.900111.4N1588 R1589 M1649 H1650 I1652N1588-Q1662 PolarHBondContact O-NE2 3.47Å; R1589-Q1662 CarbonylContact O-C 3.58Å; R1589-Q1662 WeakPolarHBondContact O-CA 3.49Å; M1649-Q1662 WeakPolarHBondContact CA-O 3.37Å; M1649-Q1662 HydrophobicContact CB-CB 4.36Å; M1649-Q1662 WeakPolarHBondContact CB-O 3.36Å; M1649-Q1662 PolarHBondContact N-O 3.37Å; H1650-Q1662 HydrophobicContact CB-CB 4.24Å; H1650-Q1662 PolarHBondContact N-O 3.1Å; H1650-Q1662 PolarHBondContact O-N 3.07Å; I1652-Q1662 HydrophobicContact CD1-CG 3.74Å; I1652-Q1662 HydrophobicContact CG1-CG 4.38Å
1663Y90.7Very high84.1Confident0 Ų044.4 Ų44.40%024%0.238CC..EExtended strand (participates in β ladder)trans-119.9151.2179.771.3-86.2000112.7V1584 R1589 I1591 F1646 Y1647 M1649 K1665 D1672 P1673V1584-Y1663 HydrophobicContact CG1-CE1 3.69Å; R1589-Y1663 VanDerWaalsContact CA-CE1 3.45Å; R1589-Y1663 HydrophobicContact CB-CD1 4.14Å; R1589-Y1663 HydrophobicContact CB-CE1 3.9Å; R1589-Y1663 HydrophobicContact CB-CE2 4.42Å; R1589-Y1663 WeakPolarHBondContact CB-O 3.23Å; R1589-Y1663 WeakPolarHBondContact O-CD1 3.41Å; R1589-Y1663 WeakPolarHBondContact O-CE1 3.24Å; R1589-Y1663 PolarHBondContact O-N 3.16Å; I1591-Y1663 HydrophobicContact CD1-CD1 3.53Å; I1591-Y1663 HydrophobicContact CD1-CE1 4.15Å; I1591-Y1663 HydrophobicContact CD1-CG 3.88Å; I1591-Y1663 HydrophobicContact CG1-CD1 3.59Å; I1591-Y1663 HydrophobicContact CG1-CE1 3.93Å; I1591-Y1663 HydrophobicContact CG1-CG 4.43Å; F1646-Y1663 HydrophobicContact CB-CD2 4Å; Y1647-Y1663 VanDerWaalsContact O-CA 3.29Å; Y1647-Y1663 WeakPolarHBondContact O-CA 3.22Å; M1649-Y1663 VanDerWaalsContact SD-O 3.39Å; Y1663-K1665 HydrophobicContact CD2-CG 4.15Å; Y1663-K1665 HydrophobicContact CE2-CD 4.37Å; Y1663-K1665 HydrophobicContact CE2-CG 3.84Å; Y1663-D1672 PolarHBondContact OH-OD1 2.8Å; Y1663-P1673 HydrophobicContact CD2-CG 4.22Å; Y1663-P1673 VanDerWaalsContact CE2-CD 3.43Å; Y1663-P1673 HydrophobicContact CE2-CG 4.12Å
1664G84.9Confident84.5Confident2 Ų244.7 Ų44.72%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-115.5138.9169.300000110.2F1646 Y1647 M1649F1646-G1664 CarbonylContact C-O 3.59Å; F1646-G1664 WeakPolarHBondContact CA-O 3.41Å; F1646-G1664 WeakPolarHBondContact CB-O 3.28Å; Y1647-G1664 WeakPolarHBondContact CD1-O 3.48Å; Y1647-G1664 VanDerWaalsContact CE1-CA 3.46Å; Y1647-G1664 PolarHBondContact N-O 2.86Å; Y1647-G1664 PolarHBondContact O-N 3.2Å; M1649-G1664 WeakPolarHBondContact SD-CA 3.46Å; M1649-G1664 PolarHBondContact SD-N 2.96Å; M1649-G1664 VanDerWaalsContact SD-N 3.39Å
1665K87.3Confident84.6Confident30 Ų3042.6 Ų42.613%0.1323%0.234CC..EExtended strand (participates in β ladder)trans-87.6151.2179.3-62.6-162.1-71.3-176.60111.3Y1663 S1667 S1668 T1670 D1672Y1663-K1665 HydrophobicContact CD2-CG 4.15Å; Y1663-K1665 HydrophobicContact CE2-CD 4.37Å; Y1663-K1665 HydrophobicContact CE2-CG 3.84Å; K1665-S1667 VanDerWaalsContact C-N 3.27Å; K1665-S1667 WeakPolarHBondContact CB-O 3.4Å; K1665-S1667 PolarHBondContact O-N 3.49Å; K1665-S1668 PolarHBondContact NZ-O 2.85Å; K1665-T1670 VanDerWaalsContact CD-O 3.24Å; K1665-T1670 WeakPolarHBondContact CD-O 3.45Å; K1665-T1670 WeakPolarHBondContact CE-O 3.2Å; K1665-T1670 PolarHBondContact NZ-O 3.28Å; K1665-D1672 WeakPolarHBondContact CD-OD1 3.46Å; K1665-D1672 VanDerWaalsContact CE-OD1 3.25Å; K1665-D1672 WeakPolarHBondContact CE-OD1 3.01Å; K1665-D1672 VanDerWaalsContact NZ-CG 3.27Å; K1665-D1672 IonicContact NZ-OD1 3.75Å; K1665-D1672 PolarHBondContact NZ-OD1 3.29Å; K1665-D1672 IonicContact NZ-OD2 2.69Å; K1665-D1672 PolarHBondContact NZ-OD2 2.9Å
1666K82.6Confident84.8Confident58 Ų5843.2 Ų43.225%0.25223%0.233SC..SBendtrans-52.9-43.6170.8173.6178.2176.8-85.70112.7D1632 Y1645 W1713D1632-K1666 IonicContact OD2-NZ 3.04Å; D1632-K1666 PolarHBondContact OD2-NZ 3.17Å; Y1645-K1666 PolarHBondContact O-N 3.4Å; Y1645-K1666 VanDerWaalsContact O-N 3.12Å; K1666-W1713 HydrophobicContact CB-CD2 3.88Å; K1666-W1713 HydrophobicContact CB-CE3 4.07Å; K1666-W1713 HydrophobicContact CB-CG 4.43Å; K1666-W1713 HydrophobicContact CB-CH2 4.24Å; K1666-W1713 HydrophobicContact CB-CZ2 4.02Å; K1666-W1713 HydrophobicContact CB-CZ3 4.26Å; K1666-W1713 HydrophobicContact CD-CB 4.07Å; K1666-W1713 HydrophobicContact CD-CD2 4.17Å; K1666-W1713 HydrophobicContact CD-CE3 4.45Å; K1666-W1713 HydrophobicContact CD-CG 4.01Å; K1666-W1713 HydrophobicContact CG-CD2 3.92Å; K1666-W1713 HydrophobicContact CG-CE3 4.44Å; K1666-W1713 HydrophobicContact CG-CG 3.93Å
1667S79.9Confident85.5Confident23 Ų2337.9 Ų37.916%0.16121%0.21CC..SBendtrans-149.2169.9177.267.70000110.3K1665 V1669 T1670K1665-S1667 VanDerWaalsContact C-N 3.27Å; K1665-S1667 WeakPolarHBondContact CB-O 3.4Å; K1665-S1667 PolarHBondContact O-N 3.49Å; S1667-V1669 VanDerWaalsContact C-N 3.28Å; S1667-V1669 PolarHBondContact O-N 3.3Å; S1667-V1669 WeakPolarHBondContact OG-CG2 3.45Å; S1667-T1670 PolarHBondContact N-OG1 3.36Å; S1667-T1670 WeakPolarHBondContact O-CB 3.31Å; S1667-T1670 PolarHBondContact O-N 3.13Å; S1667-T1670 PolarHBondContact OG-N 2.74Å; S1667-T1670 PolarHBondContact OG-OG1 2.94Å
1668S74.5Confident86.2Confident74 Ų7440.6 Ų40.652%0.51722%0.218SC..THydrogen-bonded Turntrans-68.9-30.8-179.485.80000112.3K1665 E1836K1665-S1668 PolarHBondContact NZ-O 2.85Å; S1668-E1836 WeakPolarHBondContact CA-OE1 3.39Å; S1668-E1836 WeakPolarHBondContact CB-OE1 3.26Å; S1668-E1836 PolarHBondContact N-OE1 3.24Å; S1668-E1836 VanDerWaalsContact N-OE1 3.07Å; S1668-E1836 VanDerWaalsContact OG-CD 3.29Å; S1668-E1836 PolarHBondContact OG-OE1 2.77Å
1669V79.5Confident86.7Confident113 Ų11336 Ų3669%0.68520%0.198SC*.THydrogen-bonded Turntrans-79.9-13.2177.5-60.50000114.1S1667S1667-V1669 VanDerWaalsContact C-N 3.28Å; S1667-V1669 PolarHBondContact O-N 3.3Å; S1667-V1669 WeakPolarHBondContact OG-CG2 3.45Å
1670T87Confident86.8Confident14 Ų1436.4 Ų36.49%0.08620%0.201CC..SBendtrans-61130.2173.7-58.30000109.1K1665 S1667 D1672K1665-T1670 VanDerWaalsContact CD-O 3.24Å; K1665-T1670 WeakPolarHBondContact CD-O 3.45Å; K1665-T1670 WeakPolarHBondContact CE-O 3.2Å; K1665-T1670 PolarHBondContact NZ-O 3.28Å; S1667-T1670 PolarHBondContact N-OG1 3.36Å; S1667-T1670 WeakPolarHBondContact O-CB 3.31Å; S1667-T1670 PolarHBondContact O-N 3.13Å; S1667-T1670 PolarHBondContact OG-N 2.74Å; S1667-T1670 PolarHBondContact OG-OG1 2.94Å; T1670-D1672 PolarHBondContact O-N 2.89Å
1671P89.8Confident87Confident26 Ų2635.7 Ų35.717%0.16920%0.197CC..PPolyproline II helixtrans-54.8137.3175.8-28.536.8000111.8F1642 T1644F1642-P1671 HydrophobicContact CD2-CB 3.49Å; F1642-P1671 VanDerWaalsContact CD2-CB 3.49Å; F1642-P1671 HydrophobicContact CD2-CG 3.88Å; F1642-P1671 HydrophobicContact CE2-CB 3.67Å; T1644-P1671 WeakPolarHBondContact CB-O 3.23Å; T1644-P1671 PolarHBondContact OG1-O 2.76Å
1672D91.8Very high87.2Confident43 Ų4335.7 Ų35.723%0.2320%0.197CC..PPolyproline II helixtrans-68145.3172.9-67.6-82.1000110.2V1586 Y1663 K1665 T1670V1586-D1672 HydrophobicContact CG1-CB 4.27Å; V1586-D1672 HydrophobicContact CG2-CB 4.44Å; Y1663-D1672 PolarHBondContact OH-OD1 2.8Å; K1665-D1672 WeakPolarHBondContact CD-OD1 3.46Å; K1665-D1672 VanDerWaalsContact CE-OD1 3.25Å; K1665-D1672 WeakPolarHBondContact CE-OD1 3.01Å; K1665-D1672 VanDerWaalsContact NZ-CG 3.27Å; K1665-D1672 IonicContact NZ-OD1 3.75Å; K1665-D1672 PolarHBondContact NZ-OD1 3.29Å; K1665-D1672 IonicContact NZ-OD2 2.69Å; K1665-D1672 PolarHBondContact NZ-OD2 2.9Å; T1670-D1672 PolarHBondContact O-N 2.89Å
1673P92.5Very high87.4Confident3 Ų332.6 Ų32.62%0.01918%0.183CC..PPolyproline II helixtrans-58.1152.3169.9-22.535.8000110.6I1581 V1584 I1591 T1644 F1646 Y1663 M1677I1581-P1673 HydrophobicContact CD1-CB 3.57Å; V1584-P1673 WeakPolarHBondContact CG1-O 3.28Å; V1584-P1673 HydrophobicContact CG2-CB 4.45Å; V1584-P1673 WeakPolarHBondContact CG2-O 3.45Å; I1591-P1673 HydrophobicContact CD1-CB 3.95Å; I1591-P1673 HydrophobicContact CD1-CG 3.99Å; T1644-P1673 HydrophobicContact CG2-CB 4.39Å; T1644-P1673 HydrophobicContact CG2-CG 4.2Å; F1646-P1673 HydrophobicContact CB-CG 4.35Å; F1646-P1673 HydrophobicContact CD1-CB 4.37Å; F1646-P1673 HydrophobicContact CD1-CG 3.42Å; F1646-P1673 VanDerWaalsContact CD1-CG 3.42Å; F1646-P1673 HydrophobicContact CE1-CB 4.22Å; F1646-P1673 HydrophobicContact CE1-CG 3.73Å; F1646-P1673 HydrophobicContact CG-CG 3.88Å; F1646-P1673 HydrophobicContact CZ-CG 4.44Å; Y1663-P1673 HydrophobicContact CD2-CG 4.22Å; Y1663-P1673 VanDerWaalsContact CE2-CD 3.43Å; Y1663-P1673 HydrophobicContact CE2-CG 4.12Å; P1673-M1677 HydrophobicContact CB-SD 4.48Å
1674C86.8Confident87.2Confident37 Ų3732.6 Ų32.625%0.2518%0.183CC..  trans-130.7163.5-178.368.10000111.6I1581 Y1613 M1677I1581-C1674 WeakPolarHBondContact CB-O 3.42Å; I1581-C1674 WeakPolarHBondContact CG2-O 3.27Å; Y1613-C1674 VanDerWaalsContact CD1-SG 3.54Å; C1674-M1677 WeakPolarHBondContact O-CB 3.34Å; C1674-M1677 PolarHBondContact O-N 3.38Å
1675A85.3Confident86.9Confident31 Ų3134 Ų3426%0.25619%0.188SC..THydrogen-bonded Turntrans-54.7147.217400000111.6E1582 M1677E1582-A1675 WeakPolarHBondContact O-CB 3.13Å; A1675-M1677 PolarHBondContact O-N 2.78Å
1676Y83.2Confident86.3Confident131 Ų13135.1 Ų35.151%0.51420%0.198SC..THydrogen-bonded Turntrans66.41.6-178.7-43.1-73.6000116.8P1558 I1581 Y1613 D1678P1558-Y1676 HydrophobicContact CB-CD1 3.94Å; P1558-Y1676 HydrophobicContact CB-CD2 3.66Å; P1558-Y1676 HydrophobicContact CB-CE2 4.44Å; P1558-Y1676 HydrophobicContact CB-CG 3.36Å; P1558-Y1676 HydrophobicContact CG-CD1 4.24Å; P1558-Y1676 HydrophobicContact CG-CD2 3.53Å; P1558-Y1676 HydrophobicContact CG-CE2 3.87Å; P1558-Y1676 HydrophobicContact CG-CG 3.73Å; I1581-Y1676 WeakPolarHBondContact O-CA 3.36Å; I1581-Y1676 PolarHBondContact O-N 3.45Å; Y1613-Y1676 WeakPolarHBondContact CE2-O 3.41Å; Y1676-D1678 PolarHBondContact O-N 3.43Å
1677M88.4Confident86.1Confident0 Ų034.5 Ų34.50%020%0.198CC..  trans-70.2126.2174.5-179.3-175.3-77.700110I1581 Y1613 F1642 T1644 P1673 C1674 A1675I1581-M1677 HydrophobicContact CD1-CB 4.26Å; I1581-M1677 PolarHBondContact N-O 2.9Å; Y1613-M1677 VanDerWaalsContact CB-CE 3.4Å; Y1613-M1677 HydrophobicContact CD2-CB 3.94Å; Y1613-M1677 HydrophobicContact CD2-CG 4.32Å; Y1613-M1677 HydrophobicContact CG-CB 4.3Å; Y1613-M1677 HydrophobicContact CG-CE 4.27Å; F1642-M1677 HydrophobicContact CE2-CE 3.69Å; F1642-M1677 HydrophobicContact CZ-CE 3.61Å; T1644-M1677 HydrophobicContact CG2-CE 3.66Å; T1644-M1677 HydrophobicContact CG2-SD 3.32Å; T1644-M1677 WeakPolarHBondContact CG2-SD 3.41Å; P1673-M1677 HydrophobicContact CB-SD 4.48Å; C1674-M1677 WeakPolarHBondContact O-CB 3.34Å; C1674-M1677 PolarHBondContact O-N 3.38Å; A1675-M1677 PolarHBondContact O-N 2.78Å
1678D89.6Confident85.9Confident81 Ų8139.7 Ų39.743%0.43322%0.219SC..EExtended strand (participates in β ladder)trans-82.1132.8163.9-68.2-32.7000108.5K1559 T1580 Y1676K1559-D1678 IonicContact NZ-OD1 3.66Å; K1559-D1678 PolarHBondContact NZ-OD1 2.59Å; K1559-D1678 IonicContact NZ-OD2 2.66Å; K1559-D1678 PolarHBondContact NZ-OD2 2.73Å; T1580-D1678 WeakPolarHBondContact CB-OD1 3.4Å; T1580-D1678 WeakPolarHBondContact CG2-OD1 3.1Å; T1580-D1678 PolarHBondContact OG1-OD1 3.17Å; Y1676-D1678 PolarHBondContact O-N 3.43Å
1679F93.3Very high86.2Confident10 Ų1044.6 Ų44.64%0.04423%0.231CC..EExtended strand (participates in β ladder)trans-135.3157.7178.469.3-87.6000111.3Y1578 G1579 I1581 L1593 L1603 C1609 R1610 F1646 F1661Y1578-F1679 WeakPolarHBondContact CA-O 3.22Å; G1579-F1679 PolarHBondContact N-O 3.37Å; G1579-F1679 WeakPolarHBondContact O-CD1 3.5Å; G1579-F1679 VanDerWaalsContact O-CE1 3.24Å; G1579-F1679 WeakPolarHBondContact O-CE1 3.12Å; G1579-F1679 PolarHBondContact O-N 2.93Å; G1579-F1679 VanDerWaalsContact O-N 3.07Å; I1581-F1679 HydrophobicContact CD1-CD1 4.06Å; I1581-F1679 HydrophobicContact CD1-CE1 4.33Å; I1581-F1679 HydrophobicContact CG1-CD1 3.72Å; I1581-F1679 HydrophobicContact CG1-CE1 3.69Å; L1593-F1679 HydrophobicContact CD1-CZ 4.45Å; L1593-F1679 HydrophobicContact CD2-CE1 3.57Å; L1593-F1679 HydrophobicContact CD2-CZ 3.73Å; L1603-F1679 HydrophobicContact CD1-CE2 3.75Å; L1603-F1679 HydrophobicContact CD1-CZ 3.73Å; L1603-F1679 HydrophobicContact CD2-CE2 4.03Å; L1603-F1679 HydrophobicContact CG-CE2 4.34Å; C1609-F1679 HydrophobicContact CB-CD2 3.97Å; R1610-F1679 VanDerWaalsContact O-CA 3.31Å; R1610-F1679 WeakPolarHBondContact O-CA 3.45Å; R1610-F1679 VanDerWaalsContact O-CB 3.32Å; R1610-F1679 WeakPolarHBondContact O-CB 3.26Å; F1646-F1679 HydrophobicContact CE1-CB 4.32Å; F1646-F1679 HydrophobicContact CE1-CG 4.34Å; F1646-F1679 HydrophobicContact CE2-CD2 4.36Å; F1646-F1679 HydrophobicContact CE2-CE2 4.44Å; F1646-F1679 HydrophobicContact CZ-CB 4.17Å; F1646-F1679 HydrophobicContact CZ-CD1 4.15Å; F1646-F1679 AromaticContact CZ-CD2 3.68Å; F1646-F1679 HydrophobicContact CZ-CD2 3.68Å; F1646-F1679 HydrophobicContact CZ-CE2 4.12Å; F1646-F1679 AromaticContact CZ-CG 3.71Å; F1646-F1679 HydrophobicContact CZ-CG 3.71Å; F1661-F1679 HydrophobicContact CZ-CZ 4.25Å
1680A92.3Very high86.6Confident9 Ų940.3 Ų40.37%0.07420%0.203CC..EExtended strand (participates in β ladder)trans-131.9142.3-18000000111W1573 T1575 C1609 R1610W1573-A1680 HydrophobicContact CB-CB 3.73Å; W1573-A1680 HydrophobicContact CD2-CB 4Å; W1573-A1680 HydrophobicContact CE3-CB 4.46Å; W1573-A1680 HydrophobicContact CG-CB 3.66Å; T1575-A1680 HydrophobicContact CG2-CB 4.06Å; C1609-A1680 WeakPolarHBondContact CA-O 3.46Å; R1610-A1680 PolarHBondContact N-O 3.03Å; R1610-A1680 PolarHBondContact O-N 3.01Å
1681Q94.7Very high86.7Confident0 Ų040.6 Ų40.60%020%0.203CC..EExtended strand (participates in β ladder)trans-69.7132.9164.6-178.3-90.7-5900108.2T1575 G1577 D1607 I1608 G1683 R1690T1575-Q1681 VanDerWaalsContact CB-O 3.22Å; T1575-Q1681 WeakPolarHBondContact CB-O 3.21Å; T1575-Q1681 PolarHBondContact OG1-O 2.77Å; T1575-Q1681 PolarHBondContact OG1-OE1 3.34Å; G1577-Q1681 WeakPolarHBondContact O-CB 3.3Å; G1577-Q1681 PolarHBondContact O-N 2.75Å; D1607-Q1681 HydrophobicContact CB-CG 3.82Å; I1608-Q1681 WeakPolarHBondContact O-CA 3.4Å; Q1681-G1683 VanDerWaalsContact NE2-C 3.27Å; Q1681-G1683 PolarHBondContact NE2-O 2.91Å; Q1681-R1690 PolarHBondContact NE2-O 3.08Å
1682Y93.1Very high86.6Confident0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-126-13.2177.367.1-87.8000113.1I1608 R1610 F1635 Y1645 S1693 V1710 W1713 V1715I1608-Y1682 HydrophobicContact CB-CE1 4.29Å; I1608-Y1682 HydrophobicContact CG2-CE1 3.69Å; I1608-Y1682 HydrophobicContact CG2-CE2 4.14Å; I1608-Y1682 VanDerWaalsContact CG2-CZ 3.41Å; I1608-Y1682 WeakPolarHBondContact CG2-OH 3.18Å; I1608-Y1682 WeakPolarHBondContact O-CD1 3.5Å; I1608-Y1682 PolarHBondContact O-N 3.03Å; R1610-Y1682 HydrophobicContact CB-CD1 3.81Å; R1610-Y1682 HydrophobicContact CB-CE1 3.81Å; F1635-Y1682 AromaticContact CE2-CD2 3.99Å; F1635-Y1682 HydrophobicContact CE2-CD2 3.99Å; F1635-Y1682 HydrophobicContact CE2-CE2 4.02Å; F1635-Y1682 HydrophobicContact CE2-CG 4.41Å; F1635-Y1682 AromaticContact CZ-CD2 3.99Å; F1635-Y1682 HydrophobicContact CZ-CD2 3.99Å; F1635-Y1682 HydrophobicContact CZ-CE2 4.47Å; F1635-Y1682 HydrophobicContact CZ-CG 4.26Å; Y1645-Y1682 HydrophobicContact CD1-CE1 4.12Å; Y1645-Y1682 HydrophobicContact CE1-CE1 4.27Å; Y1682-S1693 PolarHBondContact O-OG 3.49Å; Y1682-S1693 VanDerWaalsContact O-OG 3.06Å; Y1682-V1710 HydrophobicContact CD2-CG1 3.86Å; Y1682-V1710 HydrophobicContact CE2-CG1 3.93Å; Y1682-W1713 PolarHBondContact OH-O 2.88Å; Y1682-V1715 HydrophobicContact CD2-CG2 4.26Å; Y1682-V1715 HydrophobicContact CE2-CG2 4.26Å
1683G89.4Confident86.6Confident0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-158.1-176172.700000111.6I1608 Q1681 R1690 V1710I1608-G1683 PolarHBondContact N-O 3.37Å; Q1681-G1683 VanDerWaalsContact NE2-C 3.27Å; Q1681-G1683 PolarHBondContact NE2-O 2.91Å; G1683-R1690 CarbonylContact C-O 3.58Å; G1683-V1710 WeakPolarHBondContact CA-O 3.44Å
1684S85.9Confident86.7Confident0 Ų042.4 Ų42.40%021%0.214CC..EExtended strand (participates in β ladder)trans-146.4135.6174.2-178.10000110G1606 T1686 D1687 Q1691 V1710G1606-S1684 PolarHBondContact O-OG 3.21Å; S1684-T1686 PolarHBondContact O-N 3.28Å; S1684-T1686 PolarHBondContact OG-N 3.07Å; S1684-T1686 PolarHBondContact OG-OG1 3.3Å; S1684-D1687 PolarHBondContact OG-N 3.1Å; S1684-Q1691 WeakPolarHBondContact O-CG 3.41Å; S1684-Q1691 PolarHBondContact O-NE2 3.17Å; S1684-V1710 PolarHBondContact N-O 2.67Å; S1684-V1710 VanDerWaalsContact N-O 3.11Å
1685F78.6Confident86.8Confident30 Ų3040.7 Ų40.713%0.13220%0.203CC..SBendtrans-69.1-23.6173.7-72.7-58.2000112.6G1606 I1608 Y1647 K1711 W1713 S1906G1606-F1685 PolarHBondContact O-N 3.17Å; I1608-F1685 HydrophobicContact CD1-CD1 3.78Å; I1608-F1685 HydrophobicContact CD1-CD2 4.06Å; I1608-F1685 HydrophobicContact CD1-CE1 3.64Å; I1608-F1685 HydrophobicContact CD1-CE2 3.95Å; I1608-F1685 HydrophobicContact CD1-CG 3.97Å; I1608-F1685 HydrophobicContact CD1-CZ 3.71Å; I1608-F1685 HydrophobicContact CG1-CD1 4.34Å; I1608-F1685 HydrophobicContact CG1-CD2 3.69Å; I1608-F1685 HydrophobicContact CG1-CE1 4.28Å; I1608-F1685 HydrophobicContact CG1-CE2 3.63Å; I1608-F1685 HydrophobicContact CG1-CG 4.04Å; I1608-F1685 HydrophobicContact CG1-CZ 3.92Å; I1608-F1685 HydrophobicContact CG2-CE2 4.5Å; Y1647-F1685 HydrophobicContact CD1-CE2 4.48Å; Y1647-F1685 HydrophobicContact CG-CD2 4.49Å; Y1647-F1685 HydrophobicContact CG-CE2 4.19Å; F1685-K1711 VanDerWaalsContact CD1-O 3.31Å; F1685-K1711 WeakPolarHBondContact CD1-O 3.26Å; F1685-W1713 HydrophobicContact CE2-CH2 4.35Å; F1685-W1713 AromaticContact CE2-CZ2 3.88Å; F1685-W1713 HydrophobicContact CE2-CZ2 3.88Å; F1685-W1713 HydrophobicContact CZ-CD2 4.01Å; F1685-W1713 AromaticContact CZ-CE2 3.54Å; F1685-W1713 HydrophobicContact CZ-CG 4.31Å; F1685-W1713 AromaticContact CZ-CZ2 3.84Å; F1685-W1713 HydrophobicContact CZ-CZ2 3.84Å; F1685-W1713 AromaticContact CZ-NE1 3.58Å; F1685-S1906 WeakPolarHBondContact CB-OG 3.44Å; F1685-S1906 WeakPolarHBondContact CD1-OG 3.29Å; F1685-S1906 WeakPolarHBondContact CG-OG 3.37Å
1686T74.9Confident86.9Confident54 Ų5443.2 Ų43.233%0.33121%0.208SC..SBendtrans-122-41.5-16254.40000113.2V1605 S1684 T1908V1605-T1686 PolarHBondContact O-OG1 3.46Å; S1684-T1686 PolarHBondContact O-N 3.28Å; S1684-T1686 PolarHBondContact OG-N 3.07Å; S1684-T1686 PolarHBondContact OG-OG1 3.3Å; T1686-T1908 VanDerWaalsContact CG2-CB 3.43Å; T1686-T1908 HydrophobicContact CG2-CG2 3.87Å; T1686-T1908 WeakPolarHBondContact CG2-OG1 3.33Å
1687D77.5Confident87Confident46 Ų4637.2 Ų37.225%0.24619%0.185CC..  trans-102.4105.9-174.6-174.5-4.9000111.3S1684 K1689 R1690 Q1691S1684-D1687 PolarHBondContact OG-N 3.1Å; D1687-K1689 PolarHBondContact O-N 3.15Å; D1687-K1689 VanDerWaalsContact O-N 3.13Å; D1687-K1689 WeakPolarHBondContact OD1-CB 3.34Å; D1687-K1689 PolarHBondContact OD1-N 3.16Å; D1687-R1690 HydrophobicContact CB-CB 4.2Å; D1687-R1690 HydrophobicContact CB-CG 4.25Å; D1687-R1690 PolarHBondContact O-N 3.11Å; D1687-R1690 VanDerWaalsContact OD2-CD 3.28Å; D1687-R1690 WeakPolarHBondContact OD2-CD 3.48Å; D1687-R1690 WeakPolarHBondContact OD2-CG 3.48Å; D1687-Q1691 WeakPolarHBondContact O-CG 3.49Å; D1687-Q1691 PolarHBondContact O-N 3.13Å
1688E75.7Confident86.5Confident132 Ų13239.6 Ų39.662%0.61720%0.202SC*.G310 helixtrans-54.7-29.6176.6-66.9-167.1155.200112.9R1690 Q1691 R1772E1688-R1690 VanDerWaalsContact C-N 3.31Å; E1688-R1690 PolarHBondContact O-N 2.96Å; E1688-Q1691 PolarHBondContact O-N 3.45Å; E1688-R1772 IonicContact OE1-NH2 3.93Å; E1688-R1772 PolarHBondContact OE1-NH2 3.34Å; E1688-R1772 IonicContact OE2-NH2 3.93Å
1689K80.1Confident85.6Confident176 Ų17640 Ų4077%0.76520%0.197SC*.G310 helixtrans-75.3-22.2-180-62.6-177.9-179.4177.40112.9D1687D1687-K1689 PolarHBondContact O-N 3.15Å; D1687-K1689 VanDerWaalsContact O-N 3.13Å; D1687-K1689 WeakPolarHBondContact OD1-CB 3.34Å; D1687-K1689 PolarHBondContact OD1-N 3.16Å
1690R89.2Confident84.4Confident23 Ų2341.8 Ų41.89%0.08722%0.218CC..G310 helixtrans-98.510.3179-62.3176.871.390.8-3112.2N1576 S1602 D1607 Q1681 G1683 D1687 E1688 S1692N1576-R1690 VanDerWaalsContact C-NH2 3.34Å; N1576-R1690 HydrophobicContact CB-CG 4.26Å; N1576-R1690 PolarHBondContact O-NH1 2.86Å; N1576-R1690 PolarHBondContact O-NH2 3.34Å; N1576-R1690 VanDerWaalsContact O-NH2 3.09Å; S1602-R1690 PolarHBondContact O-NH2 3.41Å; D1607-R1690 IonicContact OD1-CZ 2.72Å; D1607-R1690 IonicContact OD1-NE 3.65Å; D1607-R1690 PolarHBondContact OD1-NE 3.42Å; D1607-R1690 IonicContact OD1-NH2 3.82Å; D1607-R1690 IonicContact OD2-CZ 3.7Å; D1607-R1690 IonicContact OD2-NE 2.86Å; D1607-R1690 PolarHBondContact OD2-NE 2.94Å; D1607-R1690 IonicContact OD2-NH2 2.66Å; D1607-R1690 PolarHBondContact OD2-NH2 2.89Å; Q1681-R1690 PolarHBondContact NE2-O 3.08Å; G1683-R1690 CarbonylContact C-O 3.58Å; D1687-R1690 HydrophobicContact CB-CB 4.2Å; D1687-R1690 HydrophobicContact CB-CG 4.25Å; D1687-R1690 PolarHBondContact O-N 3.11Å; D1687-R1690 VanDerWaalsContact OD2-CD 3.28Å; D1687-R1690 WeakPolarHBondContact OD2-CD 3.48Å; D1687-R1690 WeakPolarHBondContact OD2-CG 3.48Å; E1688-R1690 VanDerWaalsContact C-N 3.31Å; E1688-R1690 PolarHBondContact O-N 2.96Å; R1690-S1692 PolarHBondContact O-N 3.45Å
1691Q89.6Confident83.5Confident20 Ų2044.2 Ų44.29%0.09323%0.23CC..SBendtrans-84.48.1177.6-71.2177.7-1.200114.2S1684 D1687 E1688 D1708 G1709 V1710 K1711S1684-Q1691 WeakPolarHBondContact O-CG 3.41Å; S1684-Q1691 PolarHBondContact O-NE2 3.17Å; D1687-Q1691 WeakPolarHBondContact O-CG 3.49Å; D1687-Q1691 PolarHBondContact O-N 3.13Å; E1688-Q1691 PolarHBondContact O-N 3.45Å; Q1691-D1708 CarbonylContact O-C 3.55Å; Q1691-G1709 PolarHBondContact O-N 3.07Å; Q1691-V1710 WeakPolarHBondContact CG-O 3.25Å; Q1691-V1710 PolarHBondContact O-N 3.07Å; Q1691-K1711 VanDerWaalsContact NE2-CB 3.28Å
1692S87.5Confident82.8Confident46 Ų4648 Ų4832%0.32226%0.256SS..  trans-113.3146.1178.561.50000111.8R1690 L1707R1690-S1692 PolarHBondContact O-N 3.45Å; S1692-L1707 VanDerWaalsContact CA-O 3.32Å; S1692-L1707 WeakPolarHBondContact CA-O 3.4Å
1693S91.9Very high82.5Confident9 Ų948.4 Ų48.46%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-160.6164.6176.456.50000110.9Y1682 L1707Y1682-S1693 PolarHBondContact O-OG 3.49Å; Y1682-S1693 VanDerWaalsContact O-OG 3.06Å; S1693-L1707 PolarHBondContact N-O 3.3Å; S1693-L1707 WeakPolarHBondContact O-CA 3.38Å; S1693-L1707 PolarHBondContact O-N 3.05Å; S1693-L1707 VanDerWaalsContact O-O 3.07Å
1694M92.9Very high82.6Confident56 Ų5650.5 Ų50.528%0.27627%0.269SS..EExtended strand (participates in β ladder)trans-140.9144.6177170.4-176.5-172.400109.5W1573 N1574 F1696 I1704 E1705 V1706W1573-M1694 CarbonylContact C-O 3.54Å; N1574-M1694 HydrophobicContact CB-CB 4.3Å; N1574-M1694 PolarHBondContact N-O 2.98Å; N1574-M1694 PolarHBondContact O-N 3.5Å; M1694-F1696 HydrophobicContact CE-CZ 4.29Å; M1694-I1704 HydrophobicContact CE-CG2 3.23Å; M1694-I1704 HydrophobicContact CG-CG2 4.47Å; M1694-E1705 CarbonylContact C-O 3.54Å; M1694-E1705 VanDerWaalsContact CA-O 3.29Å; M1694-E1705 WeakPolarHBondContact CA-O 3.45Å; M1694-V1706 HydrophobicContact CE-CG2 4.49Å; M1694-V1706 HydrophobicContact CG-CG2 4.13Å; M1694-V1706 HydrophobicContact SD-CG2 4.32Å
1695Y90.2Very high82.7Confident1 Ų150.5 Ų50.50%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-146.8154.717676-76.6000115E1571 Q1572 W1573 F1635 F1703 I1704 E1705 L1707E1571-Y1695 HydrophobicContact CG-CD2 4.25Å; E1571-Y1695 HydrophobicContact CG-CE2 4.47Å; Q1572-Y1695 CarbonylContact O-C 3.37Å; Q1572-Y1695 WeakPolarHBondContact O-CA 3.22Å; Q1572-Y1695 WeakPolarHBondContact O-CB 3.4Å; W1573-Y1695 HydrophobicContact CD2-CG 4.16Å; W1573-Y1695 AromaticContact CE2-CG 3.87Å; W1573-Y1695 HydrophobicContact CE3-CD1 4.38Å; W1573-Y1695 HydrophobicContact CE3-CG 4.34Å; W1573-Y1695 AromaticContact CH2-CD1 3.68Å; W1573-Y1695 HydrophobicContact CH2-CD1 3.68Å; W1573-Y1695 HydrophobicContact CH2-CE1 4.13Å; W1573-Y1695 HydrophobicContact CH2-CG 4.02Å; W1573-Y1695 AromaticContact CZ2-CD1 3.92Å; W1573-Y1695 HydrophobicContact CZ2-CD1 3.92Å; W1573-Y1695 HydrophobicContact CZ2-CD2 4.15Å; W1573-Y1695 HydrophobicContact CZ2-CE1 4.38Å; W1573-Y1695 AromaticContact CZ2-CG 3.81Å; W1573-Y1695 HydrophobicContact CZ2-CG 3.81Å; W1573-Y1695 AromaticContact CZ3-CD1 3.91Å; W1573-Y1695 HydrophobicContact CZ3-CD1 3.91Å; W1573-Y1695 HydrophobicContact CZ3-CG 4.27Å; F1635-Y1695 HydrophobicContact CE1-CE1 4.1Å; Y1695-F1703 HydrophobicContact CE2-CE2 4.01Å; Y1695-F1703 HydrophobicContact CE2-CZ 4.33Å; Y1695-F1703 AromaticContact CZ-CE2 3.87Å; Y1695-F1703 WeakPolarHBondContact OH-CE2 3.42Å; Y1695-I1704 CarbonylContact O-C 3.43Å; Y1695-I1704 WeakPolarHBondContact O-CA 2.76Å; Y1695-E1705 HydrophobicContact CD1-CB 4.12Å; Y1695-E1705 HydrophobicContact CE1-CB 3.61Å; Y1695-E1705 HydrophobicContact CE1-CG 3.89Å; Y1695-E1705 VanDerWaalsContact CE1-OE2 3.31Å; Y1695-E1705 WeakPolarHBondContact CE1-OE2 3.47Å; Y1695-E1705 VanDerWaalsContact CZ-OE2 3.29Å; Y1695-E1705 PolarHBondContact N-O 2.72Å; Y1695-E1705 PolarHBondContact O-N 3.24Å; Y1695-E1705 PolarHBondContact OH-OE2 2.97Å; Y1695-L1707 HydrophobicContact CE1-CD1 4.45Å
1696F87.4Confident83.4Confident83 Ų8351.4 Ų51.436%0.36428%0.277SS..EExtended strand (participates in β ladder)trans-102.8120.5173-61.1-101.3000108.4E1571 Q1572 M1694 I1704E1571-F1696 CarbonylContact C-O 3.53Å; E1571-F1696 WeakPolarHBondContact CA-O 3.23Å; Q1572-F1696 HydrophobicContact CB-CB 4.08Å; Q1572-F1696 HydrophobicContact CB-CD2 4.02Å; Q1572-F1696 HydrophobicContact CB-CG 4.45Å; Q1572-F1696 PolarHBondContact N-O 3.01Å; Q1572-F1696 PolarHBondContact O-N 2.67Å; M1694-F1696 HydrophobicContact CE-CZ 4.29Å; F1696-I1704 HydrophobicContact CD1-CB 4.49Å; F1696-I1704 HydrophobicContact CD1-CD1 3.75Å; F1696-I1704 HydrophobicContact CD1-CG1 3.56Å; F1696-I1704 HydrophobicContact CD1-CG2 4.38Å; F1696-I1704 HydrophobicContact CE1-CD1 3.42Å; F1696-I1704 VanDerWaalsContact CE1-CD1 3.42Å; F1696-I1704 HydrophobicContact CE1-CG1 3.77Å; F1696-I1704 HydrophobicContact CE1-CG2 4.3Å; F1696-I1704 HydrophobicContact CG-CG1 4.43Å; F1696-I1704 HydrophobicContact CZ-CD1 4.39Å
1697S85.8Confident84.1Confident5 Ų548.9 Ų48.94%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-102.3133.4171.2-168.70000110A1570 S1702 F1703A1570-S1697 CarbonylContact O-C 3.5Å; A1570-S1697 VanDerWaalsContact O-CA 3.27Å; A1570-S1697 WeakPolarHBondContact O-CA 3.46Å; S1697-S1702 CarbonylContact O-C 3.4Å; S1697-S1702 WeakPolarHBondContact O-CA 3.38Å; S1697-F1703 PolarHBondContact N-O 3.39Å; S1697-F1703 PolarHBondContact O-N 3.36Å
1698S77.8Confident84.6Confident50 Ų5050.8 Ų50.835%0.3527%0.271SS..  trans-122.6-23.2-176.766.60000114.2T1568 A1570 S1702T1568-S1698 PolarHBondContact O-OG 3.14Å; A1570-S1698 PolarHBondContact N-OG 2.78Å; A1570-S1698 PolarHBondContact O-N 3.19Å; A1570-S1698 PolarHBondContact O-OG 2.82Å; S1698-S1702 PolarHBondContact O-OG 3.41Å
1699R70.2Confident85Confident90 Ų9044.9 Ų44.934%0.3425%0.246SC..SBendtrans-102131.8-171.5-165.8-174.8165.7161.7-7.1111.3A1570 E1627 H1638 K1639 N1701A1570-R1699 HydrophobicContact CB-CB 3.84Å; E1627-R1699 WeakPolarHBondContact OE1-CG 3.45Å; E1627-R1699 IonicContact OE1-NE 3.63Å; E1627-R1699 PolarHBondContact OE1-NE 3.02Å; E1627-R1699 IonicContact OE2-CZ 3.8Å; E1627-R1699 IonicContact OE2-NE 3.88Å; E1627-R1699 IonicContact OE2-NH2 3.62Å; H1638-R1699 PolarHBondContact CE1-O 3.29Å; K1639-R1699 PolarHBondContact O-NH2 3.28Å; K1639-R1699 VanDerWaalsContact O-NH2 3.11Å; R1699-N1701 PolarHBondContact O-N 2.91Å; R1699-N1701 VanDerWaalsContact O-N 3.15Å
1700G67.3Low85.3Confident47 Ų4736.5 Ų36.549%0.48521%0.21SC..SBendtrans84.3-62.3-168.400000111.1
1701N73.6Confident84.9Confident61 Ų6137.2 Ų37.233%0.32621%0.213SC..SBendtrans-149.5137.6176.4-71-60.4000111.4R1699 F1703 W1726R1699-N1701 PolarHBondContact O-N 2.91Å; R1699-N1701 VanDerWaalsContact O-N 3.15Å; N1701-F1703 WeakPolarHBondContact O-CD1 3.49Å; N1701-W1726 HydrophobicContact CB-CB 3.66Å; N1701-W1726 HydrophobicContact CB-CD2 4.21Å; N1701-W1726 HydrophobicContact CB-CG 3.42Å; N1701-W1726 VanDerWaalsContact CB-CG 3.42Å; N1701-W1726 PolarHBondContact ND2-NE1 3.22Å; N1701-W1726 VanDerWaalsContact ND2-NE1 3.18Å; N1701-W1726 PolarHBondContact OD1-NE1 3.12Å
1702S80.7Confident84.5Confident78 Ų7837.5 Ų37.555%0.54522%0.217SC..  trans-89.6119.1-175.6-480000112.7S1697 S1698 W1726S1697-S1702 CarbonylContact O-C 3.4Å; S1697-S1702 WeakPolarHBondContact O-CA 3.38Å; S1698-S1702 PolarHBondContact O-OG 3.41Å; S1702-W1726 PolarHBondContact O-N 3.5Å
1703F87.1Confident84.3Confident10 Ų1036.8 Ų36.84%0.04421%0.207CC..EExtended strand (participates in β ladder)trans-152.9160.8174.863-91.1000112.4V1636 Y1695 S1697 N1701 E1705 R1723 Y1724V1636-F1703 HydrophobicContact CG2-CZ 4.37Å; Y1695-F1703 HydrophobicContact CE2-CE2 4.01Å; Y1695-F1703 HydrophobicContact CE2-CZ 4.33Å; Y1695-F1703 AromaticContact CZ-CE2 3.87Å; Y1695-F1703 WeakPolarHBondContact OH-CE2 3.42Å; S1697-F1703 PolarHBondContact N-O 3.39Å; S1697-F1703 PolarHBondContact O-N 3.36Å; N1701-F1703 WeakPolarHBondContact O-CD1 3.49Å; F1703-E1705 HydrophobicContact CD2-CB 4.06Å; F1703-E1705 HydrophobicContact CE2-CB 4.03Å; F1703-R1723 HydrophobicContact CB-CG 4.08Å; F1703-R1723 HydrophobicContact CD2-CG 3.92Å; F1703-R1723 HydrophobicContact CG-CG 4.23Å; F1703-Y1724 CarbonylContact C-O 3.55Å; F1703-Y1724 WeakPolarHBondContact CA-O 3.43Å; F1703-Y1724 WeakPolarHBondContact CB-O 3.43Å
1704I89.8Confident83.9Confident43 Ų4340.2 Ų40.222%0.22122%0.222CC..EExtended strand (participates in β ladder)trans-109.9135.3170.9-52.7179.1000107.1M1694 Y1695 F1696 R1723 Y1724M1694-I1704 HydrophobicContact CE-CG2 3.23Å; M1694-I1704 HydrophobicContact CG-CG2 4.47Å; Y1695-I1704 CarbonylContact O-C 3.43Å; Y1695-I1704 WeakPolarHBondContact O-CA 2.76Å; F1696-I1704 HydrophobicContact CD1-CB 4.49Å; F1696-I1704 HydrophobicContact CD1-CD1 3.75Å; F1696-I1704 HydrophobicContact CD1-CG1 3.56Å; F1696-I1704 HydrophobicContact CD1-CG2 4.38Å; F1696-I1704 HydrophobicContact CE1-CD1 3.42Å; F1696-I1704 VanDerWaalsContact CE1-CD1 3.42Å; F1696-I1704 HydrophobicContact CE1-CG1 3.77Å; F1696-I1704 HydrophobicContact CE1-CG2 4.3Å; F1696-I1704 HydrophobicContact CG-CG1 4.43Å; F1696-I1704 HydrophobicContact CZ-CD1 4.39Å; I1704-R1723 CarbonylContact O-C 3.55Å; I1704-R1723 WeakPolarHBondContact O-CA 3.4Å; I1704-Y1724 HydrophobicContact CD1-CD1 3.92Å; I1704-Y1724 HydrophobicContact CG1-CD1 4.29Å; I1704-Y1724 PolarHBondContact N-O 2.97Å; I1704-Y1724 PolarHBondContact O-N 3.4Å
1705E89.7Confident83.6Confident0 Ų037.6 Ų37.60%021%0.209CC..EExtended strand (participates in β ladder)trans-133.3138.2179.4-178.9158.3-114.400112.4M1694 Y1695 F1703 L1707 R1720 A1722 R1723M1694-E1705 CarbonylContact C-O 3.54Å; M1694-E1705 VanDerWaalsContact CA-O 3.29Å; M1694-E1705 WeakPolarHBondContact CA-O 3.45Å; Y1695-E1705 HydrophobicContact CD1-CB 4.12Å; Y1695-E1705 HydrophobicContact CE1-CB 3.61Å; Y1695-E1705 HydrophobicContact CE1-CG 3.89Å; Y1695-E1705 VanDerWaalsContact CE1-OE2 3.31Å; Y1695-E1705 WeakPolarHBondContact CE1-OE2 3.47Å; Y1695-E1705 VanDerWaalsContact CZ-OE2 3.29Å; Y1695-E1705 PolarHBondContact N-O 2.72Å; Y1695-E1705 PolarHBondContact O-N 3.24Å; Y1695-E1705 PolarHBondContact OH-OE2 2.97Å; F1703-E1705 HydrophobicContact CD2-CB 4.06Å; F1703-E1705 HydrophobicContact CE2-CB 4.03Å; E1705-L1707 HydrophobicContact CG-CD2 3.99Å; E1705-R1720 VanDerWaalsContact OE1-CD 3.31Å; E1705-R1720 WeakPolarHBondContact OE1-CD 3.4Å; E1705-R1720 IonicContact OE1-CZ 3.57Å; E1705-R1720 IonicContact OE1-NE 3.74Å; E1705-R1720 IonicContact OE1-NH1 3.47Å; E1705-R1720 PolarHBondContact OE1-NH1 3.35Å; E1705-R1720 IonicContact OE2-CZ 2.77Å; E1705-R1720 IonicContact OE2-NH1 3.8Å; E1705-R1720 PolarHBondContact OE2-NH1 2.93Å; E1705-A1722 WeakPolarHBondContact CA-O 3.46Å; E1705-R1723 IonicContact OE1-CZ 3.81Å; E1705-R1723 IonicContact OE1-NE 3.44Å; E1705-R1723 PolarHBondContact OE1-NE 3.01Å; E1705-R1723 IonicContact OE1-NH2 3.2Å; E1705-R1723 PolarHBondContact OE1-NH2 3.19Å; E1705-R1723 IonicContact OE2-CZ 3.09Å; E1705-R1723 IonicContact OE2-NE 3.79Å; E1705-R1723 IonicContact OE2-NH2 2.69Å; E1705-R1723 PolarHBondContact OE2-NH2 2.71Å
1706V91.6Very high82.9Confident49 Ų4940 Ų4030%0.29722%0.22SC..EExtended strand (participates in β ladder)trans-112.4125.4178-176.70000108.6M1694 V1721 A1722M1694-V1706 HydrophobicContact CE-CG2 4.49Å; M1694-V1706 HydrophobicContact CG-CG2 4.13Å; M1694-V1706 HydrophobicContact SD-CG2 4.32Å; V1706-V1721 HydrophobicContact CB-CB 4.34Å; V1706-V1721 HydrophobicContact CG1-CB 4.14Å; V1706-V1721 PolarHBondContact O-N 3.14Å; V1706-A1722 HydrophobicContact CB-CB 4.44Å; V1706-A1722 HydrophobicContact CG2-CB 4.42Å; V1706-A1722 PolarHBondContact N-O 3.06Å
1707L91.1Very high82.2Confident2 Ų237.1 Ų37.11%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-111.6140179.1-57.9-177.9000110.8W1573 F1635 S1692 S1693 Y1695 E1705 V1710 V1715 N1719 R1720W1573-L1707 HydrophobicContact CH2-CD1 4.34Å; W1573-L1707 HydrophobicContact CZ3-CD1 4.38Å; F1635-L1707 HydrophobicContact CE1-CD1 4.13Å; F1635-L1707 HydrophobicContact CZ-CD1 3.98Å; S1692-L1707 VanDerWaalsContact CA-O 3.32Å; S1692-L1707 WeakPolarHBondContact CA-O 3.4Å; S1693-L1707 PolarHBondContact N-O 3.3Å; S1693-L1707 WeakPolarHBondContact O-CA 3.38Å; S1693-L1707 PolarHBondContact O-N 3.05Å; S1693-L1707 VanDerWaalsContact O-O 3.07Å; Y1695-L1707 HydrophobicContact CE1-CD1 4.45Å; E1705-L1707 HydrophobicContact CG-CD2 3.99Å; L1707-V1710 HydrophobicContact CB-CG2 4.09Å; L1707-V1715 HydrophobicContact CD1-CG1 4.21Å; L1707-V1715 HydrophobicContact CD1-CG2 4.31Å; L1707-V1715 HydrophobicContact CD2-CG1 3.64Å; L1707-N1719 CarbonylContact C-O 3.59Å; L1707-N1719 VanDerWaalsContact CA-O 3.23Å; L1707-N1719 WeakPolarHBondContact CA-O 3.47Å; L1707-R1720 HydrophobicContact CD2-CG 3.85Å
1708D87.2Confident81.5Confident85 Ų8537.6 Ų37.646%0.45521%0.212SC..  trans-144.7151.5173.2-167.220.9000111.5Q1691 V1710 N1719 V1721Q1691-D1708 CarbonylContact O-C 3.55Å; D1708-V1710 VanDerWaalsContact C-N 3.33Å; D1708-V1710 PolarHBondContact O-N 2.9Å; D1708-N1719 PolarHBondContact N-O 2.69Å; D1708-N1719 VanDerWaalsContact O-CA 3.32Å; D1708-N1719 WeakPolarHBondContact O-CA 3.46Å; D1708-N1719 WeakPolarHBondContact O-CB 3.37Å; D1708-N1719 PolarHBondContact O-ND2 3.34Å; D1708-V1721 HydrophobicContact CB-CG2 3.5Å
1709G83.4Confident81.8Confident9 Ų935.4 Ų35.49%0.09320%0.197CC..  trans65.325.4179.700000115.8Q1691 K1711 N1719Q1691-G1709 PolarHBondContact O-N 3.07Å; G1709-K1711 PolarHBondContact O-N 2.87Å; G1709-N1719 VanDerWaalsContact C-ND2 3.26Å; G1709-N1719 PolarHBondContact O-ND2 3.21Å
1710V87.1Confident82.4Confident0 Ų031.9 Ų31.90%018%0.183CC..  trans-77.498.2179.5-174.40000110.9Y1682 G1683 S1684 Q1691 L1707 D1708 V1715 N1719Y1682-V1710 HydrophobicContact CD2-CG1 3.86Å; Y1682-V1710 HydrophobicContact CE2-CG1 3.93Å; G1683-V1710 WeakPolarHBondContact CA-O 3.44Å; S1684-V1710 PolarHBondContact N-O 2.67Å; S1684-V1710 VanDerWaalsContact N-O 3.11Å; Q1691-V1710 WeakPolarHBondContact CG-O 3.25Å; Q1691-V1710 PolarHBondContact O-N 3.07Å; L1707-V1710 HydrophobicContact CB-CG2 4.09Å; D1708-V1710 VanDerWaalsContact C-N 3.33Å; D1708-V1710 PolarHBondContact O-N 2.9Å; V1710-V1715 HydrophobicContact CG1-CG2 4.25Å; V1710-V1715 HydrophobicContact CG2-CG2 4.49Å; V1710-N1719 HydrophobicContact CG2-CB 3.93Å
1711K81.3Confident83.1Confident37 Ų3731.9 Ų31.916%0.16117%0.174CC..  trans-115.47.7-178.869.6-179.1179.8174.40114.7F1685 Q1691 G1709 L1771F1685-K1711 VanDerWaalsContact CD1-O 3.31Å; F1685-K1711 WeakPolarHBondContact CD1-O 3.26Å; Q1691-K1711 VanDerWaalsContact NE2-CB 3.28Å; G1709-K1711 PolarHBondContact O-N 2.87Å; K1711-L1771 PolarHBondContact NZ-O 3.49Å
1712T82Confident83.7Confident26 Ų2630.1 Ų30.116%0.1617%0.168CC..SBendtrans-135.8163.7-178.349.20000108.9E1714 K1904T1712-E1714 VanDerWaalsContact C-N 3.28Å; T1712-E1714 PolarHBondContact O-N 3.24Å; T1712-E1714 PolarHBondContact OG1-O 3.49Å; T1712-E1714 VanDerWaalsContact OG1-O 3.13Å; T1712-K1904 WeakPolarHBondContact CG2-O 3.4Å
1713W83.3Confident84.1Confident32 Ų3226.9 Ų26.912%0.12114%0.144CC..SBendtrans-60.4-37.4174.5-64.6109.7000112.9I1608 C1633 Y1645 F1646 Y1647 K1666 Y1682 F1685I1608-W1713 HydrophobicContact CG2-CD2 4.23Å; I1608-W1713 HydrophobicContact CG2-CE3 3.44Å; I1608-W1713 VanDerWaalsContact CG2-CE3 3.44Å; I1608-W1713 HydrophobicContact CG2-CH2 4.13Å; I1608-W1713 HydrophobicContact CG2-CZ3 3.37Å; C1633-W1713 WeakPolarHBondContact CB-O 3.27Å; Y1645-W1713 HydrophobicContact CD1-CE3 4.41Å; F1646-W1713 VanDerWaalsContact C-CH2 3.47Å; Y1647-W1713 HydrophobicContact CD1-CH2 4.02Å; Y1647-W1713 AromaticContact CD1-CZ2 3.87Å; Y1647-W1713 HydrophobicContact CD1-CZ2 3.87Å; K1666-W1713 HydrophobicContact CB-CD2 3.88Å; K1666-W1713 HydrophobicContact CB-CE3 4.07Å; K1666-W1713 HydrophobicContact CB-CG 4.43Å; K1666-W1713 HydrophobicContact CB-CH2 4.24Å; K1666-W1713 HydrophobicContact CB-CZ2 4.02Å; K1666-W1713 HydrophobicContact CB-CZ3 4.26Å; K1666-W1713 HydrophobicContact CD-CB 4.07Å; K1666-W1713 HydrophobicContact CD-CD2 4.17Å; K1666-W1713 HydrophobicContact CD-CE3 4.45Å; K1666-W1713 HydrophobicContact CD-CG 4.01Å; K1666-W1713 HydrophobicContact CG-CD2 3.92Å; K1666-W1713 HydrophobicContact CG-CE3 4.44Å; K1666-W1713 HydrophobicContact CG-CG 3.93Å; Y1682-W1713 PolarHBondContact OH-O 2.88Å; F1685-W1713 HydrophobicContact CE2-CH2 4.35Å; F1685-W1713 AromaticContact CE2-CZ2 3.88Å; F1685-W1713 HydrophobicContact CE2-CZ2 3.88Å; F1685-W1713 HydrophobicContact CZ-CD2 4.01Å; F1685-W1713 AromaticContact CZ-CE2 3.54Å; F1685-W1713 HydrophobicContact CZ-CG 4.31Å; F1685-W1713 AromaticContact CZ-CZ2 3.84Å; F1685-W1713 HydrophobicContact CZ-CZ2 3.84Å; F1685-W1713 AromaticContact CZ-NE1 3.58Å
1714E83.1Confident84.1Confident80 Ų8033.3 Ų33.337%0.37417%0.169SC..SBendtrans-82.9129.3-178.9-170.9-169.7-173.400111.8N1634 T1712 Q1716N1634-E1714 VanDerWaalsContact ND2-CG 3.35Å; N1634-E1714 WeakPolarHBondContact ND2-CG 3.31Å; N1634-E1714 PolarHBondContact ND2-OE1 2.81Å; T1712-E1714 VanDerWaalsContact C-N 3.28Å; T1712-E1714 PolarHBondContact O-N 3.24Å; T1712-E1714 PolarHBondContact OG1-O 3.49Å; T1712-E1714 VanDerWaalsContact OG1-O 3.13Å; E1714-Q1716 HydrophobicContact CG-CG 4.18Å; E1714-Q1716 PolarHBondContact OE2-NE2 3.46Å
1715V85.5Confident84.1Confident1 Ų132 Ų321%0.00617%0.165CC..  trans-89.8106.2171.6-179.30000110.1C1633 N1634 F1635 Y1682 L1707 V1710 N1719 R1720C1633-V1715 PolarHBondContact O-N 2.86Å; C1633-V1715 VanDerWaalsContact O-N 3.11Å; N1634-V1715 WeakPolarHBondContact CB-O 3.46Å; N1634-V1715 PolarHBondContact ND2-O 3.43Å; N1634-V1715 VanDerWaalsContact ND2-O 3.09Å; F1635-V1715 HydrophobicContact CD2-CG2 4.41Å; F1635-V1715 HydrophobicContact CE1-CG2 4.47Å; F1635-V1715 HydrophobicContact CE2-CG2 3.49Å; F1635-V1715 VanDerWaalsContact CE2-CG2 3.49Å; F1635-V1715 HydrophobicContact CZ-CG2 3.54Å; Y1682-V1715 HydrophobicContact CD2-CG2 4.26Å; Y1682-V1715 HydrophobicContact CE2-CG2 4.26Å; L1707-V1715 HydrophobicContact CD1-CG1 4.21Å; L1707-V1715 HydrophobicContact CD1-CG2 4.31Å; L1707-V1715 HydrophobicContact CD2-CG1 3.64Å; V1710-V1715 HydrophobicContact CG1-CG2 4.25Å; V1710-V1715 HydrophobicContact CG2-CG2 4.49Å; V1715-N1719 HydrophobicContact CG1-CB 4Å; V1715-R1720 HydrophobicContact CG1-CG 4.27Å
1716Q76.4Confident83.9Confident51 Ų5135.8 Ų35.824%0.23818%0.18CC..  trans-89.1168.2-176.2-60.4-171.3-700112E1714 Q1718 N1719E1714-Q1716 HydrophobicContact CG-CG 4.18Å; E1714-Q1716 PolarHBondContact OE2-NE2 3.46Å; Q1716-Q1718 PolarHBondContact O-N 2.64Å; Q1716-Q1718 VanDerWaalsContact O-N 3.17Å; Q1716-N1719 PolarHBondContact N-OD1 2.88Å; Q1716-N1719 WeakPolarHBondContact O-CB 3.3Å; Q1716-N1719 PolarHBondContact O-N 3.01Å
1717S71.4Confident83.3Confident23 Ų2333.5 Ų33.516%0.16117%0.166CC..G310 helixtrans-56.6-33.3-177.736.60000113.6N1719 R1720 L1731S1717-N1719 VanDerWaalsContact C-N 3.3Å; S1717-N1719 PolarHBondContact O-N 3.21Å; S1717-R1720 PolarHBondContact O-N 3.35Å; S1717-L1731 WeakPolarHBondContact CB-O 3.35Å
1718Q71.5Confident82.5Confident16 Ų1634.4 Ų34.48%0.07518%0.175CC..G310 helixtrans-77.1-13.3178.666.4-85.914.500114.2Q1716 R1720 Q1750 L1768 L1771Q1716-Q1718 PolarHBondContact O-N 2.64Å; Q1716-Q1718 VanDerWaalsContact O-N 3.17Å; Q1718-R1720 VanDerWaalsContact C-N 3.33Å; Q1718-Q1750 PolarHBondContact O-NE2 3.26Å; Q1718-L1768 HydrophobicContact CB-CB 4.36Å; Q1718-L1768 HydrophobicContact CG-CB 4.01Å; Q1718-L1768 HydrophobicContact CG-CD1 3.61Å; Q1718-L1768 HydrophobicContact CG-CG 4.45Å; Q1718-L1771 VanDerWaalsContact NE2-CD1 3.26Å
1719N83.9Confident81.7Confident4 Ų433 Ų332%0.02118%0.181CC..G310 helixtrans-81.8-15.9173.3-62.3119000112.1L1707 D1708 G1709 V1710 V1715 Q1716 S1717 V1721L1707-N1719 CarbonylContact C-O 3.59Å; L1707-N1719 VanDerWaalsContact CA-O 3.23Å; L1707-N1719 WeakPolarHBondContact CA-O 3.47Å; D1708-N1719 PolarHBondContact N-O 2.69Å; D1708-N1719 VanDerWaalsContact O-CA 3.32Å; D1708-N1719 WeakPolarHBondContact O-CA 3.46Å; D1708-N1719 WeakPolarHBondContact O-CB 3.37Å; D1708-N1719 PolarHBondContact O-ND2 3.34Å; G1709-N1719 VanDerWaalsContact C-ND2 3.26Å; G1709-N1719 PolarHBondContact O-ND2 3.21Å; V1710-N1719 HydrophobicContact CG2-CB 3.93Å; V1715-N1719 HydrophobicContact CG1-CB 4Å; Q1716-N1719 PolarHBondContact N-OD1 2.88Å; Q1716-N1719 WeakPolarHBondContact O-CB 3.3Å; Q1716-N1719 PolarHBondContact O-N 3.01Å; S1717-N1719 VanDerWaalsContact C-N 3.3Å; S1717-N1719 PolarHBondContact O-N 3.21Å; N1719-V1721 PolarHBondContact O-N 3.2Å
1720R82.4Confident81.5Confident15 Ų1532.7 Ų32.76%0.05718%0.177CC..EExtended strand (participates in β ladder)trans-91.193.1-175.9-61.9177.4-169.4-93.4-6109.8N1634 E1705 L1707 V1715 S1717 Q1718 Y1748N1634-R1720 PolarHBondContact O-NH2 3.43Å; E1705-R1720 VanDerWaalsContact OE1-CD 3.31Å; E1705-R1720 WeakPolarHBondContact OE1-CD 3.4Å; E1705-R1720 IonicContact OE1-CZ 3.57Å; E1705-R1720 IonicContact OE1-NE 3.74Å; E1705-R1720 IonicContact OE1-NH1 3.47Å; E1705-R1720 PolarHBondContact OE1-NH1 3.35Å; E1705-R1720 IonicContact OE2-CZ 2.77Å; E1705-R1720 IonicContact OE2-NH1 3.8Å; E1705-R1720 PolarHBondContact OE2-NH1 2.93Å; L1707-R1720 HydrophobicContact CD2-CG 3.85Å; V1715-R1720 HydrophobicContact CG1-CG 4.27Å; S1717-R1720 PolarHBondContact O-N 3.35Å; Q1718-R1720 VanDerWaalsContact C-N 3.33Å; R1720-Y1748 WeakPolarHBondContact O-CE1 3.23Å
1721V83.5Confident80.9Confident48 Ų4836.4 Ų36.429%0.29120%0.197SC..EExtended strand (participates in β ladder)trans-68.5-41-177.3-178.80000111.4V1706 D1708 N1719 Q1750V1706-V1721 HydrophobicContact CB-CB 4.34Å; V1706-V1721 HydrophobicContact CG1-CB 4.14Å; V1706-V1721 PolarHBondContact O-N 3.14Å; D1708-V1721 HydrophobicContact CB-CG2 3.5Å; N1719-V1721 PolarHBondContact O-N 3.2Å; V1721-Q1750 VanDerWaalsContact O-CB 3.32Å; V1721-Q1750 WeakPolarHBondContact O-CB 3.37Å; V1721-Q1750 PolarHBondContact O-N 2.79Å
1722A86.2Confident80.5Confident24 Ų2434.6 Ų34.620%0.19819%0.189CC..EExtended strand (participates in β ladder)trans-154.5150.2178.100000112.2E1705 V1706 Y1748 V1749E1705-A1722 WeakPolarHBondContact CA-O 3.46Å; V1706-A1722 HydrophobicContact CB-CB 4.44Å; V1706-A1722 HydrophobicContact CG2-CB 4.42Å; V1706-A1722 PolarHBondContact N-O 3.06Å; A1722-Y1748 CarbonylContact C-O 3.58Å; A1722-Y1748 VanDerWaalsContact CA-O 3.24Å; A1722-Y1748 WeakPolarHBondContact CA-O 3.5Å; A1722-V1749 HydrophobicContact CB-CG2 4.49Å
1723R87.9Confident79.9Confident10 Ų1035.1 Ų35.14%0.03819%0.192CC..EExtended strand (participates in β ladder)trans-136.1128.9168.1-175.1177.6-76.3-156.6-10.8110.8F1703 I1704 E1705 L1727 I1747 Y1748F1703-R1723 HydrophobicContact CB-CG 4.08Å; F1703-R1723 HydrophobicContact CD2-CG 3.92Å; F1703-R1723 HydrophobicContact CG-CG 4.23Å; I1704-R1723 CarbonylContact O-C 3.55Å; I1704-R1723 WeakPolarHBondContact O-CA 3.4Å; E1705-R1723 IonicContact OE1-CZ 3.81Å; E1705-R1723 IonicContact OE1-NE 3.44Å; E1705-R1723 PolarHBondContact OE1-NE 3.01Å; E1705-R1723 IonicContact OE1-NH2 3.2Å; E1705-R1723 PolarHBondContact OE1-NH2 3.19Å; E1705-R1723 IonicContact OE2-CZ 3.09Å; E1705-R1723 IonicContact OE2-NE 3.79Å; E1705-R1723 IonicContact OE2-NH2 2.69Å; E1705-R1723 PolarHBondContact OE2-NH2 2.71Å; R1723-L1727 HydrophobicContact CB-CD2 3.99Å; R1723-L1727 HydrophobicContact CG-CD2 3.83Å; R1723-I1747 CarbonylContact O-C 3.37Å; R1723-I1747 WeakPolarHBondContact O-CA 3.26Å; R1723-Y1748 HydrophobicContact CB-CD1 4.46Å; R1723-Y1748 PolarHBondContact N-O 3.34Å; R1723-Y1748 PolarHBondContact O-N 3.16Å
1724Y88.4Confident79Confident145 Ų14536.5 Ų36.557%0.56920%0.199SC*.EExtended strand (participates in β ladder)trans-122.6122.7178.8173.1-100.4000110.8F1703 I1704 I1747F1703-Y1724 CarbonylContact C-O 3.55Å; F1703-Y1724 WeakPolarHBondContact CA-O 3.43Å; F1703-Y1724 WeakPolarHBondContact CB-O 3.43Å; I1704-Y1724 HydrophobicContact CD1-CD1 3.92Å; I1704-Y1724 HydrophobicContact CG1-CD1 4.29Å; I1704-Y1724 PolarHBondContact N-O 2.97Å; I1704-Y1724 PolarHBondContact O-N 3.4Å; Y1724-I1747 HydrophobicContact CD2-CB 4.01Å; Y1724-I1747 HydrophobicContact CD2-CD1 4.05Å; Y1724-I1747 HydrophobicContact CD2-CG1 4.07Å
1725G88.6Confident78Confident14 Ų1440.3 Ų40.314%0.14421%0.214CC..EExtended strand (participates in β ladder)trans119.8-138.3-175.600000111.3L1727 N1745 G1746G1725-L1727 PolarHBondContact O-N 2.96Å; G1725-N1745 CarbonylContact O-C 3.56Å; G1725-N1745 WeakPolarHBondContact O-CA 3.24Å; G1725-G1746 PolarHBondContact N-O 3.24Å; G1725-G1746 PolarHBondContact O-N 2.57Å
1726W85.3Confident77Confident81 Ų8146 Ų4631%0.30724%0.244SC..EExtended strand (participates in β ladder)trans-67.3127.3178.1-175-99.8000112.4N1701 S1702 G1728 N1745N1701-W1726 HydrophobicContact CB-CB 3.66Å; N1701-W1726 HydrophobicContact CB-CD2 4.21Å; N1701-W1726 HydrophobicContact CB-CG 3.42Å; N1701-W1726 VanDerWaalsContact CB-CG 3.42Å; N1701-W1726 PolarHBondContact ND2-NE1 3.22Å; N1701-W1726 VanDerWaalsContact ND2-NE1 3.18Å; N1701-W1726 PolarHBondContact OD1-NE1 3.12Å; S1702-W1726 PolarHBondContact O-N 3.5Å; W1726-G1728 PolarHBondContact NE1-O 3.12Å; W1726-N1745 WeakPolarHBondContact CA-OD1 3.28Å; W1726-N1745 PolarHBondContact N-OD1 3.47Å
1727L79.6Confident76.3Confident0 Ų046.1 Ų46.10%026%0.259CS..  trans-107.6-8.6-176.4-58.8168.9000113.8R1723 G1725 G1729 L1730 P1742 G1744 Y1754R1723-L1727 HydrophobicContact CB-CD2 3.99Å; R1723-L1727 HydrophobicContact CG-CD2 3.83Å; G1725-L1727 PolarHBondContact O-N 2.96Å; L1727-G1729 PolarHBondContact O-N 3Å; L1727-L1730 HydrophobicContact CD2-CD2 4.33Å; L1727-L1730 WeakPolarHBondContact O-CB 2.91Å; L1727-L1730 PolarHBondContact O-N 3.06Å; L1727-P1742 CarbonylContact C-O 3.56Å; L1727-P1742 HydrophobicContact CB-CB 3.91Å; L1727-P1742 HydrophobicContact CD1-CB 4.26Å; L1727-P1742 VanDerWaalsContact O-O 3.14Å; L1727-G1744 PolarHBondContact N-O 3.48Å; L1727-Y1754 HydrophobicContact CD1-CD2 3.46Å; L1727-Y1754 VanDerWaalsContact CD1-CD2 3.46Å; L1727-Y1754 HydrophobicContact CD1-CE2 3.07Å
1728G74.7Confident76.1Confident21 Ų2147.3 Ų47.322%0.21627%0.268CS..THydrogen-bonded Turntrans-58.713117500000110.9W1726W1726-G1728 PolarHBondContact NE1-O 3.12Å
1729G71.3Confident76Confident55 Ų5550.1 Ų50.157%0.56729%0.286SS*.THydrogen-bonded Turntrans95.6-12.9-173.500000114.4L1727 L1731L1727-G1729 PolarHBondContact O-N 3Å; G1729-L1731 PolarHBondContact O-N 3Å
1730L77.5Confident75.4Confident4 Ų451.8 Ų51.82%0.02130%0.297CS..  trans-72.8114173.1-174.165.6000110L1727 L1732 P1742 Y1748L1727-L1730 HydrophobicContact CD2-CD2 4.33Å; L1727-L1730 WeakPolarHBondContact O-CB 2.91Å; L1727-L1730 PolarHBondContact O-N 3.06Å; L1730-L1732 HydrophobicContact CD1-CD2 4.13Å; L1730-L1732 HydrophobicContact CD2-CD1 4.32Å; L1730-L1732 HydrophobicContact CD2-CD2 4.06Å; L1730-L1732 HydrophobicContact CD2-CG 4.26Å; L1730-L1732 HydrophobicContact CG-CD2 3.87Å; L1730-L1732 HydrophobicContact CG-CG 4.07Å; L1730-P1742 HydrophobicContact CD2-CG 4.3Å; L1730-P1742 WeakPolarHBondContact O-CD 3.48Å; L1730-Y1748 HydrophobicContact CD2-CD1 3.64Å; L1730-Y1748 HydrophobicContact CD2-CD2 4.49Å; L1730-Y1748 HydrophobicContact CD2-CE1 4.31Å; L1730-Y1748 HydrophobicContact CD2-CG 3.73Å
1731L74.1Confident75.2Confident77 Ų7759.7 Ų59.740%0.40333%0.326SS..  trans-98.3118.4173.5-171.685000109.1S1717 G1729 V1733 T1739 R1741S1717-L1731 WeakPolarHBondContact CB-O 3.35Å; G1729-L1731 PolarHBondContact O-N 3Å; L1731-V1733 HydrophobicContact CD2-CG2 4.28Å; L1731-T1739 HydrophobicContact CD1-CG2 3.77Å; L1731-T1739 HydrophobicContact CD2-CG2 4.34Å; L1731-T1739 HydrophobicContact CG-CG2 4.16Å; L1731-R1741 HydrophobicContact CD1-CG 4.06Å
1732L74.9Confident74.8Confident0 Ų057.7 Ų57.70%032%0.315CS..EExtended strand (participates in β ladder)trans-112.4118177.1-57.9176.6000109.4L1730 T1739 V1740 P1742 Y1748 L1762 L1765L1730-L1732 HydrophobicContact CD1-CD2 4.13Å; L1730-L1732 HydrophobicContact CD2-CD1 4.32Å; L1730-L1732 HydrophobicContact CD2-CD2 4.06Å; L1730-L1732 HydrophobicContact CD2-CG 4.26Å; L1730-L1732 HydrophobicContact CG-CD2 3.87Å; L1730-L1732 HydrophobicContact CG-CG 4.07Å; L1732-T1739 CarbonylContact O-C 3.5Å; L1732-T1739 WeakPolarHBondContact O-CA 3.46Å; L1732-V1740 HydrophobicContact CB-CB 4.19Å; L1732-V1740 PolarHBondContact N-O 3.18Å; L1732-V1740 PolarHBondContact O-N 2.83Å; L1732-P1742 HydrophobicContact CD1-CG 3.81Å; L1732-P1742 HydrophobicContact CG-CG 4.47Å; L1732-Y1748 HydrophobicContact CD1-CD2 3.62Å; L1732-Y1748 HydrophobicContact CD1-CE2 3.41Å; L1732-Y1748 VanDerWaalsContact CD1-CE2 3.41Å; L1732-Y1748 HydrophobicContact CD1-CG 4.36Å; L1732-Y1748 HydrophobicContact CD2-CD1 4.44Å; L1732-Y1748 HydrophobicContact CD2-CD2 4.44Å; L1732-Y1748 HydrophobicContact CD2-CE1 3.78Å; L1732-Y1748 HydrophobicContact CD2-CE2 3.81Å; L1732-Y1748 VanDerWaalsContact CD2-CZ 3.41Å; L1732-Y1748 WeakPolarHBondContact CD2-OH 3.33Å; L1732-Y1748 HydrophobicContact CG-CE2 4.26Å; L1732-L1762 HydrophobicContact CD1-CD1 3.69Å; L1732-L1765 HydrophobicContact CB-CD2 3.81Å
1733V67.6Low74.2Confident37 Ų3763.6 Ų63.622%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-95.8125.4179.5-173.50000109.9L1731 T1739 L1765 S1766L1731-V1733 HydrophobicContact CD2-CG2 4.28Å; V1733-T1739 HydrophobicContact CG2-CG2 4.22Å; V1733-L1765 WeakPolarHBondContact O-CA 3.46Å; V1733-L1765 VanDerWaalsContact O-CD2 3.28Å; V1733-L1765 WeakPolarHBondContact O-CD2 3.31Å; V1733-S1766 PolarHBondContact O-N 3.4Å; V1733-S1766 VanDerWaalsContact O-N 3.14Å; V1733-S1766 PolarHBondContact O-OG 3.22Å
1734K65.2Low73.6Confident61 Ų6164.3 Ų64.327%0.26535%0.349SS..BIsolated β-bridgetrans-79.8159.3171.4-71.2-174.2-176.5176.10111.2D1736 G1737 S1738 V1740 G1764 L1765K1734-D1736 WeakPolarHBondContact CB-OD1 3.5Å; K1734-D1736 PolarHBondContact O-N 3.39Å; K1734-D1736 VanDerWaalsContact O-N 3.08Å; K1734-G1737 WeakPolarHBondContact O-CA 3.35Å; K1734-G1737 PolarHBondContact O-N 3.28Å; K1734-S1738 PolarHBondContact N-O 3.4Å; K1734-V1740 HydrophobicContact CD-CG2 4.4Å; K1734-V1740 HydrophobicContact CG-CG2 4.46Å; K1734-G1764 CarbonylContact C-O 3.54Å; K1734-G1764 WeakPolarHBondContact CA-O 3.34Å; K1734-G1764 WeakPolarHBondContact CB-O 3Å; K1734-L1765 HydrophobicContact CG-CD2 4.06Å
1735K61.4Low73.2Confident159 Ų15962.9 Ų62.969%0.69135%0.351SS*.THydrogen-bonded Turntrans-52.8-25.3173.4-75.5-175.8178.5-175.10113.6G1737 G1764 L1765K1735-G1737 VanDerWaalsContact C-N 3.28Å; K1735-G1764 PolarHBondContact N-O 3.16Å; K1735-L1765 WeakPolarHBondContact CE-O 3.27Å
1736D64.9Low72.8Confident120 Ų12063 Ų6364%0.64235%0.351SS*.THydrogen-bonded Turntrans-84.31.317566.6-0.9000113.8K1734 S1738K1734-D1736 WeakPolarHBondContact CB-OD1 3.5Å; K1734-D1736 PolarHBondContact O-N 3.39Å; K1734-D1736 VanDerWaalsContact O-N 3.08Å; D1736-S1738 VanDerWaalsContact C-N 3.3Å; D1736-S1738 WeakPolarHBondContact OD1-CB 3.47Å; D1736-S1738 PolarHBondContact OD1-N 3.13Å; D1736-S1738 PolarHBondContact OD1-OG 3.49Å; D1736-S1738 PolarHBondContact OD2-OG 2.96Å
1737G61.3Low72.7Confident54 Ų5461.7 Ų61.756%0.55735%0.35SS*.SBendtrans83.1-3.3-175.900000114.4K1734 K1735K1734-G1737 WeakPolarHBondContact O-CA 3.35Å; K1734-G1737 PolarHBondContact O-N 3.28Å; K1735-G1737 VanDerWaalsContact C-N 3.28Å
1738S69.2Low72.8Confident48 Ų4861.8 Ų61.834%0.33635%0.35SS..PPolyproline II helixtrans-73.6142.7177.569.40000111.6K1734 D1736K1734-S1738 PolarHBondContact N-O 3.4Å; D1736-S1738 VanDerWaalsContact C-N 3.3Å; D1736-S1738 WeakPolarHBondContact OD1-CB 3.47Å; D1736-S1738 PolarHBondContact OD1-N 3.13Å; D1736-S1738 PolarHBondContact OD1-OG 3.49Å; D1736-S1738 PolarHBondContact OD2-OG 2.96Å
1739T68.2Low73Confident76 Ų7663 Ų6347%0.46635%0.354SS..EExtended strand (participates in β ladder)trans-100.4129.8-179.852.40000111.2L1731 L1732 V1733L1731-T1739 HydrophobicContact CD1-CG2 3.77Å; L1731-T1739 HydrophobicContact CD2-CG2 4.34Å; L1731-T1739 HydrophobicContact CG-CG2 4.16Å; L1732-T1739 CarbonylContact O-C 3.5Å; L1732-T1739 WeakPolarHBondContact O-CA 3.46Å; V1733-T1739 HydrophobicContact CG2-CG2 4.22Å
1740V72.5Confident73Confident39 Ų3962.4 Ų62.424%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-99.1133.1165.2-178.50000108.6L1732 K1734 P1742 L1762L1732-V1740 HydrophobicContact CB-CB 4.19Å; L1732-V1740 PolarHBondContact N-O 3.18Å; L1732-V1740 PolarHBondContact O-N 2.83Å; K1734-V1740 HydrophobicContact CD-CG2 4.4Å; K1734-V1740 HydrophobicContact CG-CG2 4.46Å; V1740-P1742 HydrophobicContact CG1-CG 4.36Å; V1740-L1762 HydrophobicContact CB-CD2 4.34Å; V1740-L1762 HydrophobicContact CG1-CD2 3.97Å; V1740-L1762 HydrophobicContact CG2-CD2 4.04Å
1741R77.3Confident72.3Confident180 Ų18066.8 Ų66.868%0.67936%0.36SS*.  trans-120.990.6177.8-67-179.6177.4-156.1-3.6108.9L1731L1731-R1741 HydrophobicContact CD1-CG 4.06Å
1742P75.4Confident71.5Confident7 Ų767.6 Ų67.65%0.04536%0.364CS..  trans-62.7148.1175.4-20.434.8000110.8L1727 L1730 L1732 V1740 Y1754L1727-P1742 CarbonylContact C-O 3.56Å; L1727-P1742 HydrophobicContact CB-CB 3.91Å; L1727-P1742 HydrophobicContact CD1-CB 4.26Å; L1727-P1742 VanDerWaalsContact O-O 3.14Å; L1730-P1742 HydrophobicContact CD2-CG 4.3Å; L1730-P1742 WeakPolarHBondContact O-CD 3.48Å; L1732-P1742 HydrophobicContact CD1-CG 3.81Å; L1732-P1742 HydrophobicContact CG-CG 4.47Å; V1740-P1742 HydrophobicContact CG1-CG 4.36Å; P1742-Y1754 HydrophobicContact CB-CD2 4.37Å; P1742-Y1754 HydrophobicContact CB-CE2 4.19Å
1743E74Confident70.7Confident147 Ų14769.6 Ų69.669%0.68738%0.375SS*.  trans-130.8159.7-179.7-67.1-174.8-179.900110.6Y1754E1743-Y1754 PolarHBondContact O-OH 3.47Å
1744G74Confident70.4Confident26 Ų2668.9 Ų68.927%0.26837%0.368SS..SBendtrans74.1-172.8178.400000114.5L1727L1727-G1744 PolarHBondContact N-O 3.48Å
1745N79.5Confident70Confident115 Ų11570.5 Ų70.562%0.61538%0.375SS*.EExtended strand (participates in β ladder)trans-83.8130.5176.5-71.2-36.1000110.4G1725 W1726G1725-N1745 CarbonylContact O-C 3.56Å; G1725-N1745 WeakPolarHBondContact O-CA 3.24Å; W1726-N1745 WeakPolarHBondContact CA-OD1 3.28Å; W1726-N1745 PolarHBondContact N-OD1 3.47Å
1746G80.2Confident69.6Low15 Ų1563.8 Ų63.816%0.15535%0.352CS..EExtended strand (participates in β ladder)trans-174.3-171.7-173.800000113.9G1725 F1755G1725-G1746 PolarHBondContact N-O 3.24Å; G1725-G1746 PolarHBondContact O-N 2.57Å; G1746-F1755 CarbonylContact C-O 3.54Å; G1746-F1755 WeakPolarHBondContact CA-O 3.19Å
1747I84.6Confident69.3Low54 Ų5462.3 Ų62.328%0.27736%0.364SS..EExtended strand (participates in β ladder)trans-124132.6169.9-165.9176.3000109.6R1723 Y1724 V1749 Y1754 F1755R1723-I1747 CarbonylContact O-C 3.37Å; R1723-I1747 WeakPolarHBondContact O-CA 3.26Å; Y1724-I1747 HydrophobicContact CD2-CB 4.01Å; Y1724-I1747 HydrophobicContact CD2-CD1 4.05Å; Y1724-I1747 HydrophobicContact CD2-CG1 4.07Å; I1747-V1749 HydrophobicContact CD1-CG2 4.19Å; I1747-V1749 HydrophobicContact CG1-CG2 4.19Å; I1747-Y1754 CarbonylContact O-C 3.55Å; I1747-Y1754 VanDerWaalsContact O-CA 3.27Å; I1747-Y1754 WeakPolarHBondContact O-CA 3.49Å; I1747-F1755 HydrophobicContact CG2-CB 4.01Å; I1747-F1755 HydrophobicContact CG2-CD2 3.27Å; I1747-F1755 HydrophobicContact CG2-CE2 4.03Å; I1747-F1755 HydrophobicContact CG2-CG 4Å; I1747-F1755 PolarHBondContact N-O 3.22Å; I1747-F1755 VanDerWaalsContact N-O 3.11Å; I1747-F1755 PolarHBondContact O-N 3.44Å
1748Y81.4Confident69Low2 Ų265.4 Ų65.41%0.00837%0.368CS..EExtended strand (participates in β ladder)trans-110.2131.8167.2162.7-107.5000108.3R1720 A1722 R1723 L1730 L1732 Q1750 L1762 L1765R1720-Y1748 WeakPolarHBondContact O-CE1 3.23Å; A1722-Y1748 CarbonylContact C-O 3.58Å; A1722-Y1748 VanDerWaalsContact CA-O 3.24Å; A1722-Y1748 WeakPolarHBondContact CA-O 3.5Å; R1723-Y1748 HydrophobicContact CB-CD1 4.46Å; R1723-Y1748 PolarHBondContact N-O 3.34Å; R1723-Y1748 PolarHBondContact O-N 3.16Å; L1730-Y1748 HydrophobicContact CD2-CD1 3.64Å; L1730-Y1748 HydrophobicContact CD2-CD2 4.49Å; L1730-Y1748 HydrophobicContact CD2-CE1 4.31Å; L1730-Y1748 HydrophobicContact CD2-CG 3.73Å; L1732-Y1748 HydrophobicContact CD1-CD2 3.62Å; L1732-Y1748 HydrophobicContact CD1-CE2 3.41Å; L1732-Y1748 VanDerWaalsContact CD1-CE2 3.41Å; L1732-Y1748 HydrophobicContact CD1-CG 4.36Å; L1732-Y1748 HydrophobicContact CD2-CD1 4.44Å; L1732-Y1748 HydrophobicContact CD2-CD2 4.44Å; L1732-Y1748 HydrophobicContact CD2-CE1 3.78Å; L1732-Y1748 HydrophobicContact CD2-CE2 3.81Å; L1732-Y1748 VanDerWaalsContact CD2-CZ 3.41Å; L1732-Y1748 WeakPolarHBondContact CD2-OH 3.33Å; L1732-Y1748 HydrophobicContact CG-CE2 4.26Å; Y1748-Q1750 WeakPolarHBondContact OH-CA 3.17Å; Y1748-L1762 HydrophobicContact CD2-CD1 3.89Å; Y1748-L1762 HydrophobicContact CE2-CD1 3.9Å; Y1748-L1765 HydrophobicContact CE2-CD1 4.06Å; Y1748-L1765 WeakPolarHBondContact OH-CD1 3.49Å
1749V77.9Confident68.1Low48 Ų4868.2 Ų68.229%0.29138%0.378SS..EExtended strand (participates in β ladder)trans-128.2126.5169.4-176.90000107.7A1722 I1747 D1751 N1752 I1753A1722-V1749 HydrophobicContact CB-CG2 4.49Å; I1747-V1749 HydrophobicContact CD1-CG2 4.19Å; I1747-V1749 HydrophobicContact CG1-CG2 4.19Å; V1749-D1751 PolarHBondContact O-N 2.66Å; V1749-N1752 HydrophobicContact CB-CB 4.43Å; V1749-N1752 HydrophobicContact CG1-CB 4.34Å; V1749-N1752 PolarHBondContact O-N 3.02Å; V1749-I1753 PolarHBondContact N-O 3.28Å; V1749-I1753 VanDerWaalsContact N-O 3.11Å; V1749-I1753 PolarHBondContact O-N 2.74Å
1750Q72.5Confident67.5Low41 Ų4168.5 Ų68.519%0.19238%0.377CS..THydrogen-bonded Turntrans-50.3136.9-179-170.6176.523.600111.4Q1718 V1721 Y1748 N1752Q1718-Q1750 PolarHBondContact O-NE2 3.26Å; V1721-Q1750 VanDerWaalsContact O-CB 3.32Å; V1721-Q1750 WeakPolarHBondContact O-CB 3.37Å; V1721-Q1750 PolarHBondContact O-N 2.79Å; Y1748-Q1750 WeakPolarHBondContact OH-CA 3.17Å; Q1750-N1752 PolarHBondContact O-N 2.99Å; Q1750-N1752 PolarHBondContact O-ND2 3.06Å
1751D61.2Low66.5Low96 Ų9674.7 Ų74.751%0.51340%0.397SS..THydrogen-bonded Turntrans56.54.8-179.4-63.3-35.7000117.9V1749V1749-D1751 PolarHBondContact O-N 2.66Å
1752N57.8Low65.6Low94 Ų9466.6 Ų66.650%0.50337%0.367SS..THydrogen-bonded Turntrans-118.6-84.5-173.1-71.5-70.9000112.1V1749 Q1750V1749-N1752 HydrophobicContact CB-CB 4.43Å; V1749-N1752 HydrophobicContact CG1-CB 4.34Å; V1749-N1752 PolarHBondContact O-N 3.02Å; Q1750-N1752 PolarHBondContact O-N 2.99Å; Q1750-N1752 PolarHBondContact O-ND2 3.06Å
1753I59.3Low64.3Low42 Ų4274 Ų7422%0.21540%0.402CS..EExtended strand (participates in β ladder)trans-145.5141.5-161.1-56.2173.5000110.6V1749 F1755 I1759 Y1761V1749-I1753 PolarHBondContact N-O 3.28Å; V1749-I1753 VanDerWaalsContact N-O 3.11Å; V1749-I1753 PolarHBondContact O-N 2.74Å; I1753-F1755 HydrophobicContact CB-CE2 4.05Å; I1753-F1755 HydrophobicContact CG2-CD2 3.63Å; I1753-F1755 HydrophobicContact CG2-CE1 4.41Å; I1753-F1755 HydrophobicContact CG2-CE2 3.29Å; I1753-F1755 HydrophobicContact CG2-CG 4.37Å; I1753-F1755 HydrophobicContact CG2-CZ 3.72Å; I1753-I1759 HydrophobicContact CG2-CG2 3.93Å; I1753-Y1761 HydrophobicContact CD1-CE1 4.45Å; I1753-Y1761 HydrophobicContact CG1-CD1 4.4Å; I1753-Y1761 HydrophobicContact CG1-CE1 4.07Å
1754Y60.2Low63.3Low23 Ų2368.7 Ų68.79%0.0939%0.386CS..EExtended strand (participates in β ladder)trans-113.7132.6160.5158.3-116.1000110.9L1727 P1742 E1743 I1747 G1756 I1759 N1760L1727-Y1754 HydrophobicContact CD1-CD2 3.46Å; L1727-Y1754 VanDerWaalsContact CD1-CD2 3.46Å; L1727-Y1754 HydrophobicContact CD1-CE2 3.07Å; P1742-Y1754 HydrophobicContact CB-CD2 4.37Å; P1742-Y1754 HydrophobicContact CB-CE2 4.19Å; E1743-Y1754 PolarHBondContact O-OH 3.47Å; I1747-Y1754 CarbonylContact O-C 3.55Å; I1747-Y1754 VanDerWaalsContact O-CA 3.27Å; I1747-Y1754 WeakPolarHBondContact O-CA 3.49Å; Y1754-G1756 VanDerWaalsContact CZ-CA 3.44Å; Y1754-G1756 VanDerWaalsContact OH-CA 3.31Å; Y1754-G1756 WeakPolarHBondContact OH-CA 3.43Å; Y1754-G1756 PolarHBondContact OH-O 2.86Å; Y1754-I1759 WeakPolarHBondContact O-CA 3.33Å; Y1754-N1760 HydrophobicContact CD1-CB 4.28Å; Y1754-N1760 PolarHBondContact N-O 3.48Å; Y1754-N1760 PolarHBondContact O-N 3.44Å
1755F56.2Low62.4Low94 Ų9468 Ų6841%0.41238%0.376SS..EExtended strand (participates in β ladder)trans-114.1111169.7-59.2-102.6000110.1G1746 I1747 I1753 I1759G1746-F1755 CarbonylContact C-O 3.54Å; G1746-F1755 WeakPolarHBondContact CA-O 3.19Å; I1747-F1755 HydrophobicContact CG2-CB 4.01Å; I1747-F1755 HydrophobicContact CG2-CD2 3.27Å; I1747-F1755 HydrophobicContact CG2-CE2 4.03Å; I1747-F1755 HydrophobicContact CG2-CG 4Å; I1747-F1755 PolarHBondContact N-O 3.22Å; I1747-F1755 VanDerWaalsContact N-O 3.11Å; I1747-F1755 PolarHBondContact O-N 3.44Å; I1753-F1755 HydrophobicContact CB-CE2 4.05Å; I1753-F1755 HydrophobicContact CG2-CD2 3.63Å; I1753-F1755 HydrophobicContact CG2-CE1 4.41Å; I1753-F1755 HydrophobicContact CG2-CE2 3.29Å; I1753-F1755 HydrophobicContact CG2-CG 4.37Å; I1753-F1755 HydrophobicContact CG2-CZ 3.72Å; F1755-I1759 HydrophobicContact CD1-CD1 4.1Å; F1755-I1759 HydrophobicContact CD1-CG1 3.69Å; F1755-I1759 HydrophobicContact CE1-CD1 3.75Å; F1755-I1759 HydrophobicContact CE1-CG1 3.82Å; F1755-I1759 HydrophobicContact CE1-CG2 4.49Å
1756G54.6Low60.9Low19 Ų1964 Ų6420%0.19636%0.357CS..SBendtrans-168106.1169.700000110.3Y1754 N1758Y1754-G1756 VanDerWaalsContact CZ-CA 3.44Å; Y1754-G1756 VanDerWaalsContact OH-CA 3.31Å; Y1754-G1756 WeakPolarHBondContact OH-CA 3.43Å; Y1754-G1756 PolarHBondContact OH-O 2.86Å; G1756-N1758 PolarHBondContact N-O 3.26Å; G1756-N1758 VanDerWaalsContact N-O 3.12Å; G1756-N1758 PolarHBondContact O-N 3.17Å
1757G57.6Low59.5Low88 Ų8864.5 Ų64.591%0.90736%0.362SS*.SBendtrans69-46.5-164.900000113.9
1758N54.5Low57.7Low119 Ų11964.7 Ų64.764%0.63636%0.363SS*.SBendtrans-134.2159178.8-61.6-33000110.8G1756G1756-N1758 PolarHBondContact N-O 3.26Å; G1756-N1758 VanDerWaalsContact N-O 3.12Å; G1756-N1758 PolarHBondContact O-N 3.17Å
1759I50.3Low56.2Low107 Ų10770 Ų7055%0.54939%0.392SS..EExtended strand (participates in β ladder)trans-87.5118168.1-57177.7000108.1I1753 Y1754 F1755I1753-I1759 HydrophobicContact CG2-CG2 3.93Å; Y1754-I1759 WeakPolarHBondContact O-CA 3.33Å; F1755-I1759 HydrophobicContact CD1-CD1 4.1Å; F1755-I1759 HydrophobicContact CD1-CG1 3.69Å; F1755-I1759 HydrophobicContact CE1-CD1 3.75Å; F1755-I1759 HydrophobicContact CE1-CG1 3.82Å; F1755-I1759 HydrophobicContact CE1-CG2 4.49Å
1760N57.3Low55Low82 Ų8273.1 Ų73.144%0.43941%0.407SS..EExtended strand (participates in β ladder)trans-121.9128.2174.7-73.6-57.4000110.8Y1754Y1754-N1760 HydrophobicContact CD1-CB 4.28Å; Y1754-N1760 PolarHBondContact N-O 3.48Å; Y1754-N1760 PolarHBondContact O-N 3.44Å
1761Y51.1Low54Low170 Ų17073.3 Ų73.367%0.66741%0.409SS*.EExtended strand (participates in β ladder)trans-78.8121.4170.8-81.2-85.2000110.1I1753 Q1763I1753-Y1761 HydrophobicContact CD1-CE1 4.45Å; I1753-Y1761 HydrophobicContact CG1-CD1 4.4Å; I1753-Y1761 HydrophobicContact CG1-CE1 4.07Å; Y1761-Q1763 PolarHBondContact O-N 2.85Å
1762L58.3Low53.5Low9 Ų974.6 Ų74.65%0.04741%0.406CS..  trans-97.986.1176.6-68.6167.5000108.8L1732 V1740 Y1748L1732-L1762 HydrophobicContact CD1-CD1 3.69Å; V1740-L1762 HydrophobicContact CB-CD2 4.34Å; V1740-L1762 HydrophobicContact CG1-CD2 3.97Å; V1740-L1762 HydrophobicContact CG2-CD2 4.04Å; Y1748-L1762 HydrophobicContact CD2-CD1 3.89Å; Y1748-L1762 HydrophobicContact CE2-CD1 3.9Å
1763Q48.6Very low53.4Low164 Ų16475.2 Ų75.277%0.76641%0.406SS*.  trans-85.8138.9169.7-74.7-166.2-1200111.3Y1761Y1761-Q1763 PolarHBondContact O-N 2.85Å
1764G51.5Low53.6Low34 Ų3477 Ų7735%0.35141%0.414SS..  trans82.742.8167.200000114.5K1734 K1735K1734-G1764 CarbonylContact C-O 3.54Å; K1734-G1764 WeakPolarHBondContact CA-O 3.34Å; K1734-G1764 WeakPolarHBondContact CB-O 3Å; K1735-G1764 PolarHBondContact N-O 3.16Å
1765L55.5Low53.5Low13 Ų1376.9 Ų76.97%0.06842%0.417CS..BIsolated β-bridgetrans-69.2138.5164.1-64.4172.2000109.8L1732 V1733 K1734 K1735 Y1748L1732-L1765 HydrophobicContact CB-CD2 3.81Å; V1733-L1765 WeakPolarHBondContact O-CA 3.46Å; V1733-L1765 VanDerWaalsContact O-CD2 3.28Å; V1733-L1765 WeakPolarHBondContact O-CD2 3.31Å; K1734-L1765 HydrophobicContact CG-CD2 4.06Å; K1735-L1765 WeakPolarHBondContact CE-O 3.27Å; Y1748-L1765 HydrophobicContact CE2-CD1 4.06Å; Y1748-L1765 WeakPolarHBondContact OH-CD1 3.49Å
1766S48.4Very low53.9Low31 Ų3178.7 Ų78.722%0.21743%0.425CS..PPolyproline II helixtrans-73.6143.1179.848.20000111.2V1733V1733-S1766 PolarHBondContact O-N 3.4Å; V1733-S1766 VanDerWaalsContact O-N 3.14Å; V1733-S1766 PolarHBondContact O-OG 3.22Å
1767G51.6Low54.7Low25 Ų2579.6 Ų79.626%0.25843%0.431SS..PPolyproline II helixtrans-99159.4-154.200000115.5D1769G1767-D1769 PolarHBondContact O-N 2.89Å
1768L45Very low55.7Low58 Ų5875.6 Ų75.630%0.30439%0.389SS..Hα-helixtrans-65.8-21.5166.7-16475.4000111.9Q1718 D1770 L1771 R1772Q1718-L1768 HydrophobicContact CB-CB 4.36Å; Q1718-L1768 HydrophobicContact CG-CB 4.01Å; Q1718-L1768 HydrophobicContact CG-CD1 3.61Å; Q1718-L1768 HydrophobicContact CG-CG 4.45Å; L1768-D1770 VanDerWaalsContact C-N 3.33Å; L1768-D1770 PolarHBondContact O-N 3.47Å; L1768-L1771 PolarHBondContact O-N 2.88Å; L1768-R1772 WeakPolarHBondContact O-CB 3.31Å; L1768-R1772 PolarHBondContact O-N 3.5Å
1769D51Low56.8Low114 Ų11474.1 Ų74.161%0.6138%0.381SS*.Hα-helixtrans-59.3-38.3177.7-72.1-31.5000112.7G1767 L1771 R1772 E1773G1767-D1769 PolarHBondContact O-N 2.89Å; D1769-L1771 PolarHBondContact O-N 2.84Å; D1769-R1772 CarbonylContact O-C 3.58Å; D1769-R1772 PolarHBondContact O-N 3.38Å; D1769-R1772 VanDerWaalsContact O-N 3.16Å; D1769-E1773 WeakPolarHBondContact O-CB 3.47Å; D1769-E1773 WeakPolarHBondContact O-CG 3.46Å; D1769-E1773 PolarHBondContact O-N 3.2Å
1770D53.6Low58.3Low113 Ų11369.5 Ų69.560%0.60436%0.357SS*.Hα-helixtrans-65.3-39.5-178.4-63.7-27.2000111.5L1768 E1774L1768-D1770 VanDerWaalsContact C-N 3.33Å; L1768-D1770 PolarHBondContact O-N 3.47Å; D1770-E1774 PolarHBondContact O-N 3.47Å
1771L50.4Low59.5Low44 Ų4467.1 Ų67.123%0.2335%0.347CS..Hα-helixtrans-74.9-29.5173.3-90.3160.2000113.1K1711 Q1718 L1768 D1769 A1775K1711-L1771 PolarHBondContact NZ-O 3.49Å; Q1718-L1771 VanDerWaalsContact NE2-CD1 3.26Å; L1768-L1771 PolarHBondContact O-N 2.88Å; D1769-L1771 PolarHBondContact O-N 2.84Å; L1771-A1775 VanDerWaalsContact O-CB 3.26Å; L1771-A1775 WeakPolarHBondContact O-CB 3.35Å; L1771-A1775 PolarHBondContact O-N 3.02Å
1772R50Low61.3Low124 Ų12459.6 Ų59.647%0.46832%0.318SS..Hα-helixtrans-70.6-36.8173.8-152.6175.5-170.2-178.16.1110.4E1688 L1768 D1769 K1776E1688-R1772 IonicContact OE1-NH2 3.93Å; E1688-R1772 PolarHBondContact OE1-NH2 3.34Å; E1688-R1772 IonicContact OE2-NH2 3.93Å; L1768-R1772 WeakPolarHBondContact O-CB 3.31Å; L1768-R1772 PolarHBondContact O-N 3.5Å; D1769-R1772 CarbonylContact O-C 3.58Å; D1769-R1772 PolarHBondContact O-N 3.38Å; D1769-R1772 VanDerWaalsContact O-N 3.16Å; R1772-K1776 WeakPolarHBondContact O-CG 3.4Å; R1772-K1776 PolarHBondContact O-N 3.23Å
1773E57.2Low62.4Low107 Ų10762.6 Ų62.650%0.534%0.34SS..Hα-helixtrans-71.1-41.8171.9-72.7-57.4139.100112.6D1769 A1775 K1776 A1777D1769-E1773 WeakPolarHBondContact O-CB 3.47Å; D1769-E1773 WeakPolarHBondContact O-CG 3.46Å; D1769-E1773 PolarHBondContact O-N 3.2Å; E1773-A1775 VanDerWaalsContact C-N 3.31Å; E1773-A1775 PolarHBondContact O-N 2.91Å; E1773-K1776 WeakPolarHBondContact O-CB 3.28Å; E1773-K1776 PolarHBondContact O-N 3.02Å; E1773-K1776 IonicContact OE1-NZ 2.72Å; E1773-K1776 PolarHBondContact OE1-NZ 2.8Å; E1773-A1777 PolarHBondContact O-N 3.03Å
1774E63.3Low63.9Low79 Ų7958.9 Ų58.937%0.36932%0.323SS..Hα-helixtrans-61.4-39.7173.1-113.8-164.7151.600111.5D1770 K1776 A1777 Y1778 K1904D1770-E1774 PolarHBondContact O-N 3.47Å; E1774-K1776 VanDerWaalsContact C-N 3.35Å; E1774-K1776 PolarHBondContact O-N 2.68Å; E1774-A1777 WeakPolarHBondContact O-CB 3.33Å; E1774-A1777 PolarHBondContact O-N 2.8Å; E1774-Y1778 VanDerWaalsContact O-CD2 3.32Å; E1774-Y1778 WeakPolarHBondContact O-CD2 3.26Å; E1774-Y1778 VanDerWaalsContact O-CE2 3.24Å; E1774-Y1778 WeakPolarHBondContact O-CE2 3.35Å; E1774-K1904 IonicContact OE1-NZ 2.73Å; E1774-K1904 PolarHBondContact OE1-NZ 3.13Å; E1774-K1904 IonicContact OE2-NZ 3.3Å
1775A57Low65.5Low20 Ų2062.9 Ų62.917%0.16533%0.328CS..Hα-helixtrans-66.5-32.2177.400000113.3L1771 E1773 A1777 Y1778L1771-A1775 VanDerWaalsContact O-CB 3.26Å; L1771-A1775 WeakPolarHBondContact O-CB 3.35Å; L1771-A1775 PolarHBondContact O-N 3.02Å; E1773-A1775 VanDerWaalsContact C-N 3.31Å; E1773-A1775 PolarHBondContact O-N 2.91Å; A1775-A1777 PolarHBondContact O-N 2.78Å; A1775-Y1778 PolarHBondContact O-N 3.47Å
1776K64.3Low67Low132 Ų13268.8 Ų68.857%0.57436%0.355SS*.Hα-helixtrans-65-24.3175.1-78.1174.3-173.6173.90113R1772 E1773 E1774 Y1778R1772-K1776 WeakPolarHBondContact O-CG 3.4Å; R1772-K1776 PolarHBondContact O-N 3.23Å; E1773-K1776 WeakPolarHBondContact O-CB 3.28Å; E1773-K1776 PolarHBondContact O-N 3.02Å; E1773-K1776 IonicContact OE1-NZ 2.72Å; E1773-K1776 PolarHBondContact OE1-NZ 2.8Å; E1774-K1776 VanDerWaalsContact C-N 3.35Å; E1774-K1776 PolarHBondContact O-N 2.68Å; K1776-Y1778 VanDerWaalsContact C-N 3.26Å; K1776-Y1778 PolarHBondContact O-N 2.79Å
1777A72.6Confident68.8Low39 Ų3968.2 Ų68.232%0.32235%0.352SS..THydrogen-bonded Turntrans-67.1-28.2178.600000112.3E1773 E1774 A1775 K1823 G1824E1773-A1777 PolarHBondContact O-N 3.03Å; E1774-A1777 WeakPolarHBondContact O-CB 3.33Å; E1774-A1777 PolarHBondContact O-N 2.8Å; A1775-A1777 PolarHBondContact O-N 2.78Å; A1777-K1823 HydrophobicContact CB-CG 3.95Å; A1777-K1823 CarbonylContact O-C 3.53Å; A1777-K1823 VanDerWaalsContact O-CA 3.28Å; A1777-K1823 WeakPolarHBondContact O-CA 3.48Å; A1777-G1824 PolarHBondContact O-N 3.03Å
1778Y77.8Confident70.4Confident4 Ų470.6 Ų70.62%0.01636%0.361CS..EExtended strand (participates in β ladder)trans-80.6139.2-179-56.1-87.9000111.8E1774 A1775 K1776 R1822 K1823 L1828 L1901 E1902 T1905 K1907E1774-Y1778 VanDerWaalsContact O-CD2 3.32Å; E1774-Y1778 WeakPolarHBondContact O-CD2 3.26Å; E1774-Y1778 VanDerWaalsContact O-CE2 3.24Å; E1774-Y1778 WeakPolarHBondContact O-CE2 3.35Å; A1775-Y1778 PolarHBondContact O-N 3.47Å; K1776-Y1778 VanDerWaalsContact C-N 3.26Å; K1776-Y1778 PolarHBondContact O-N 2.79Å; Y1778-R1822 CarbonylContact C-O 3.49Å; Y1778-R1822 WeakPolarHBondContact CA-O 3.31Å; Y1778-K1823 HydrophobicContact CD1-CB 3.77Å; Y1778-K1823 HydrophobicContact CD1-CD 4.2Å; Y1778-K1823 HydrophobicContact CD1-CG 3.93Å; Y1778-K1823 HydrophobicContact CE1-CB 3.93Å; Y1778-K1823 HydrophobicContact CE1-CD 3.54Å; Y1778-K1823 HydrophobicContact CE1-CG 3.79Å; Y1778-K1823 HydrophobicContact CG-CG 4.46Å; Y1778-K1823 WeakPolarHBondContact OH-CE 2.98Å; Y1778-K1823 PolarHBondContact OH-NZ 3.35Å; Y1778-L1828 HydrophobicContact CD1-CD2 4.38Å; Y1778-L1828 HydrophobicContact CE1-CD2 4.31Å; Y1778-L1901 HydrophobicContact CD1-CB 4.04Å; Y1778-L1901 HydrophobicContact CD1-CD1 4.11Å; Y1778-L1901 HydrophobicContact CD1-CD2 4.1Å; Y1778-L1901 HydrophobicContact CD1-CG 4.31Å; Y1778-L1901 HydrophobicContact CD2-CD1 4.35Å; Y1778-L1901 HydrophobicContact CE1-CB 4.11Å; Y1778-L1901 HydrophobicContact CG-CB 4.44Å; Y1778-L1901 HydrophobicContact CG-CD1 3.8Å; Y1778-L1901 HydrophobicContact CG-CG 4.49Å; Y1778-E1902 HydrophobicContact CE1-CG 4.22Å; Y1778-E1902 WeakPolarHBondContact CE1-OE2 3.07Å; Y1778-E1902 PolarHBondContact OH-OE2 3.46Å; Y1778-T1905 HydrophobicContact CD2-CG2 4.13Å; Y1778-T1905 HydrophobicContact CE2-CG2 4.09Å; Y1778-K1907 WeakPolarHBondContact O-CE 3.31Å; Y1778-K1907 PolarHBondContact O-NZ 3.31Å
1779D77.9Confident72.2Confident88 Ų8868 Ų6847%0.47135%0.347SS..EExtended strand (participates in β ladder)trans-128.3131.9174.7-173.241.7000109.6V1821 R1822D1779-V1821 WeakPolarHBondContact O-CA 3.35Å; D1779-R1822 PolarHBondContact N-O 3.45Å; D1779-R1822 PolarHBondContact O-N 3.3Å
1780V82.9Confident73.7Confident10 Ų1065.1 Ų65.16%0.06133%0.334CS..EExtended strand (participates in β ladder)trans-123.3119.7179.4176.50000107.2V1819 F1820 V1821 V1899 L1901 K1907 V1909V1780-V1819 HydrophobicContact CG1-CG1 4.09Å; V1780-F1820 WeakPolarHBondContact CA-O 3.4Å; V1780-V1821 HydrophobicContact CG2-CG1 4.35Å; V1780-V1821 HydrophobicContact CG2-CG2 4.38Å; V1780-V1899 HydrophobicContact CG1-CB 4.39Å; V1780-V1899 HydrophobicContact CG1-CG2 3.7Å; V1780-V1899 HydrophobicContact CG2-CB 4.13Å; V1780-V1899 HydrophobicContact CG2-CG1 4.13Å; V1780-V1899 HydrophobicContact CG2-CG2 4.33Å; V1780-L1901 HydrophobicContact CG2-CD2 4.44Å; V1780-K1907 HydrophobicContact CB-CD 4.47Å; V1780-K1907 HydrophobicContact CG2-CB 3.84Å; V1780-K1907 HydrophobicContact CG2-CD 3.97Å; V1780-K1907 HydrophobicContact CG2-CG 4.5Å; V1780-V1909 HydrophobicContact CB-CG2 4.29Å; V1780-V1909 HydrophobicContact CG1-CG2 3.81Å
1781S82.3Confident75Confident32 Ų3259.7 Ų59.722%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-123.5145.4-17852.30000111.6Y1785 F1820S1781-Y1785 WeakPolarHBondContact CA-OH 3.26Å; S1781-F1820 PolarHBondContact N-O 2.81Å; S1781-F1820 PolarHBondContact O-N 2.76Å; S1781-F1820 PolarHBondContact OG-O 2.96Å
1782L87.2Confident76.3Confident11 Ų1159.6 Ų59.66%0.05830%0.304CS..EExtended strand (participates in β ladder)trans-110.8146.2179.7-58-177.2000110Q1784 Y1785 A1818 V1819 I1897 V1909L1782-Q1784 PolarHBondContact O-N 2.93Å; L1782-Y1785 HydrophobicContact CB-CD1 4.25Å; L1782-Y1785 HydrophobicContact CB-CD2 4.1Å; L1782-Y1785 HydrophobicContact CB-CE1 4.07Å; L1782-Y1785 HydrophobicContact CB-CE2 3.9Å; L1782-Y1785 HydrophobicContact CB-CG 4.28Å; L1782-Y1785 HydrophobicContact CD1-CD1 3.92Å; L1782-Y1785 HydrophobicContact CD1-CE1 4.12Å; L1782-Y1785 HydrophobicContact CD1-CG 4.4Å; L1782-Y1785 HydrophobicContact CG-CD1 4.3Å; L1782-Y1785 HydrophobicContact CG-CE1 4.04Å; L1782-Y1785 PolarHBondContact N-OH 3.48Å; L1782-Y1785 WeakPolarHBondContact O-CE2 3.45Å; L1782-A1818 CarbonylContact C-O 3.38Å; L1782-A1818 WeakPolarHBondContact CA-O 3.3Å; L1782-V1819 HydrophobicContact CD2-CB 4.46Å; L1782-V1819 HydrophobicContact CD2-CG1 4.5Å; L1782-V1819 HydrophobicContact CD2-CG2 3.84Å; L1782-I1897 HydrophobicContact CD1-CD1 3.71Å; L1782-I1897 HydrophobicContact CD2-CD1 3.59Å; L1782-I1897 HydrophobicContact CG-CD1 4.32Å; L1782-V1909 HydrophobicContact CD1-CB 4.01Å; L1782-V1909 HydrophobicContact CD1-CG1 3.37Å; L1782-V1909 HydrophobicContact CG-CB 4.36Å; L1782-V1909 HydrophobicContact CG-CG1 3.88Å
1783S81.7Confident77.4Confident73 Ų7356 Ų5651%0.5129%0.294SS..SBendtrans-68.6-27.5171.467.50000112.4T1817 A1818S1783-T1817 PolarHBondContact N-OG1 3.37Å; S1783-T1817 WeakPolarHBondContact OG-CA 3.31Å; S1783-T1817 PolarHBondContact OG-OG1 3.02Å; S1783-A1818 PolarHBondContact N-O 3.3Å; S1783-A1818 PolarHBondContact OG-N 3.42Å
1784Q81.6Confident78.3Confident85 Ų8553 Ų5340%0.39728%0.281SS..  trans-145.6126.4178.1-140.7171.812.300109.9L1782 S1816 T1817L1782-Q1784 PolarHBondContact O-N 2.93Å; Q1784-S1816 PolarHBondContact OE1-O 3.17Å; Q1784-T1817 PolarHBondContact N-OG1 2.8Å; Q1784-T1817 WeakPolarHBondContact O-CB 3.31Å; Q1784-T1817 PolarHBondContact O-OG1 2.91Å
1785Y84.6Confident79Confident119 Ų11949.2 Ų49.247%0.46726%0.263SS..SBendtrans-99.1-9.8-175.8-74.4-96.6000113.7S1781 L1782 V1909 M1911 P1912S1781-Y1785 WeakPolarHBondContact CA-OH 3.26Å; L1782-Y1785 HydrophobicContact CB-CD1 4.25Å; L1782-Y1785 HydrophobicContact CB-CD2 4.1Å; L1782-Y1785 HydrophobicContact CB-CE1 4.07Å; L1782-Y1785 HydrophobicContact CB-CE2 3.9Å; L1782-Y1785 HydrophobicContact CB-CG 4.28Å; L1782-Y1785 HydrophobicContact CD1-CD1 3.92Å; L1782-Y1785 HydrophobicContact CD1-CE1 4.12Å; L1782-Y1785 HydrophobicContact CD1-CG 4.4Å; L1782-Y1785 HydrophobicContact CG-CD1 4.3Å; L1782-Y1785 HydrophobicContact CG-CE1 4.04Å; L1782-Y1785 PolarHBondContact N-OH 3.48Å; L1782-Y1785 WeakPolarHBondContact O-CE2 3.45Å; Y1785-V1909 HydrophobicContact CD1-CG1 4.07Å; Y1785-V1909 HydrophobicContact CE1-CG1 3.88Å; Y1785-M1911 WeakPolarHBondContact O-CA 3.48Å; Y1785-P1912 WeakPolarHBondContact O-CD 3.5Å
1786Q87.7Confident80.2Confident136 Ų13649 Ų4964%0.63626%0.259SS*.  trans-161.3160.3177.263179.915.500111P1912Q1786-P1912 CarbonylContact C-O 3.54Å; Q1786-P1912 VanDerWaalsContact CA-O 3.24Å; Q1786-P1912 WeakPolarHBondContact CA-O 3.19Å; Q1786-P1912 HydrophobicContact CB-CG 4.08Å
1787S85.4Confident81Confident20 Ų2042.9 Ų42.914%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-141.9164.6174.5-166.30000112.3P1912 I1913 R1914S1787-P1912 PolarHBondContact N-O 2.82Å; S1787-I1913 CarbonylContact O-C 3.45Å; S1787-I1913 VanDerWaalsContact O-CA 3.3Å; S1787-I1913 WeakPolarHBondContact O-CA 3.46Å; S1787-R1914 PolarHBondContact O-N 3.25Å
1788V84.2Confident81.1Confident75 Ų7544.3 Ų44.346%0.45523%0.234SC..EExtended strand (participates in β ladder)trans-141.1137.3178.1-176.20000110R1914V1788-R1914 CarbonylContact C-O 3.57Å; V1788-R1914 WeakPolarHBondContact CA-O 3.5Å; V1788-R1914 HydrophobicContact CG1-CB 4.39Å; V1788-R1914 HydrophobicContact CG2-CB 4.18Å
1789I83.6Confident81Confident3 Ų350.5 Ų50.52%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-126.9154.317157.9148.8000111.7V1791 V1797 I1815 I1866 R1914 I1915 Q1916I1789-V1791 HydrophobicContact CD1-CG2 4.08Å; I1789-V1797 HydrophobicContact CB-CG1 4.24Å; I1789-V1797 HydrophobicContact CD1-CG2 3.83Å; I1789-V1797 HydrophobicContact CG2-CG1 4.34Å; I1789-I1815 HydrophobicContact CG2-CD1 3.87Å; I1789-I1866 HydrophobicContact CD1-CD1 3.36Å; I1789-I1866 HydrophobicContact CG1-CD1 4.12Å; I1789-R1914 PolarHBondContact N-O 3.39Å; I1789-I1915 HydrophobicContact CD1-CG1 4.11Å; I1789-I1915 HydrophobicContact CD1-CG2 4.26Å; I1789-I1915 HydrophobicContact CG1-CB 4.45Å; I1789-I1915 HydrophobicContact CG1-CG1 4.08Å; I1789-I1915 HydrophobicContact CG1-CG2 4.45Å; I1789-Q1916 PolarHBondContact O-N 3.07Å
1790T81.6Confident81Confident53 Ų5346.6 Ų46.633%0.32525%0.249SC..EExtended strand (participates in β ladder)trans-117.4139.2175.5-46.20000109.4V1797 I1798 Q1916T1790-V1797 CarbonylContact O-C 3.55Å; T1790-V1797 WeakPolarHBondContact O-CA 3.31Å; T1790-I1798 HydrophobicContact CG2-CD1 3.69Å; T1790-I1798 HydrophobicContact CG2-CG1 4.45Å; T1790-I1798 PolarHBondContact O-N 3.01Å; T1790-Q1916 CarbonylContact C-O 3.53Å; T1790-Q1916 WeakPolarHBondContact CA-O 3.33Å; T1790-Q1916 HydrophobicContact CG2-CB 4.28Å; T1790-Q1916 WeakPolarHBondContact CG2-O 3.48Å
1791V82.5Confident81Confident0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-125.1133.5-173.9-173.10000109.7I1789 G1795 N1796 V1797 I1869 M1887 I1915 Q1916 H1917 D1918I1789-V1791 HydrophobicContact CD1-CG2 4.08Å; V1791-G1795 WeakPolarHBondContact CG1-O 3.39Å; V1791-N1796 CarbonylContact C-O 3.59Å; V1791-N1796 VanDerWaalsContact CA-O 3.26Å; V1791-N1796 WeakPolarHBondContact CA-O 3.48Å; V1791-V1797 HydrophobicContact CG2-CG2 4.47Å; V1791-I1869 HydrophobicContact CG1-CD1 4.23Å; V1791-I1869 HydrophobicContact CG1-CG2 4.03Å; V1791-I1869 HydrophobicContact CG2-CD1 4.17Å; V1791-I1869 HydrophobicContact CG2-CG2 3.72Å; V1791-M1887 HydrophobicContact CG1-CE 3.81Å; V1791-I1915 HydrophobicContact CG2-CG2 3.65Å; V1791-Q1916 PolarHBondContact N-O 2.86Å; V1791-H1917 CarbonylContact O-C 3.48Å; V1791-D1918 PolarHBondContact O-N 2.73Å
1792D78.2Confident81Confident41 Ų4146.3 Ų46.322%0.21924%0.242CC..  trans-75.1174.1176.372.213.8000112.9M1794 G1795 N1796 M1887D1792-M1794 PolarHBondContact O-N 3.13Å; D1792-M1794 VanDerWaalsContact O-N 3.15Å; D1792-M1794 WeakPolarHBondContact OD1-CA 3.28Å; D1792-M1794 PolarHBondContact OD1-N 2.9Å; D1792-G1795 PolarHBondContact O-N 3.05Å; D1792-G1795 VanDerWaalsContact O-N 3.08Å; D1792-G1795 PolarHBondContact OD1-N 2.88Å; D1792-N1796 PolarHBondContact N-O 3.14Å; D1792-N1796 WeakPolarHBondContact OD1-CB 3.47Å; D1792-N1796 PolarHBondContact OD1-N 3.37Å; D1792-N1796 PolarHBondContact OD1-ND2 3.23Å; D1792-N1796 WeakPolarHBondContact OD2-CB 3.28Å; D1792-N1796 PolarHBondContact OD2-ND2 3.4Å; D1792-M1887 VanDerWaalsContact O-CE 3.27Å; D1792-M1887 WeakPolarHBondContact O-CE 3.42Å
1793D71.7Confident80.4Confident48 Ų4849.7 Ų49.726%0.25726%0.264SS..THydrogen-bonded Turntrans-67.5-11.1-179.170.5-35000114.2P1921 Y2013D1793-P1921 HydrophobicContact CB-CG 4.48Å; D1793-Y2013 PolarHBondContact OD2-OH 2.95Å
1794M77.1Confident79.9Confident45 Ų4549.6 Ų49.622%0.22226%0.255CS..THydrogen-bonded Turntrans-98.31.4175.7-58.9-167.773.100113.2D1792 K1870 T1876D1792-M1794 PolarHBondContact O-N 3.13Å; D1792-M1794 VanDerWaalsContact O-N 3.15Å; D1792-M1794 WeakPolarHBondContact OD1-CA 3.28Å; D1792-M1794 PolarHBondContact OD1-N 2.9Å; M1794-K1870 PolarHBondContact O-NZ 3.33Å; M1794-T1876 WeakPolarHBondContact CE-O 3.39Å
1795G78Confident79.2Confident0 Ų048.5 Ų48.50%025%0.252CS..SBendtrans91.19.217700000115.7V1791 D1792 K1870 M1887V1791-G1795 WeakPolarHBondContact CG1-O 3.39Å; D1792-G1795 PolarHBondContact O-N 3.05Å; D1792-G1795 VanDerWaalsContact O-N 3.08Å; D1792-G1795 PolarHBondContact OD1-N 2.88Å; G1795-K1870 WeakPolarHBondContact O-CA 3.42Å; G1795-K1870 WeakPolarHBondContact O-CB 3.5Å; G1795-K1870 PolarHBondContact O-N 2.88Å; G1795-M1887 WeakPolarHBondContact CA-SD 3.29Å
1796N80.9Confident78.1Confident14 Ų1452.8 Ų52.88%0.07528%0.276CS..BIsolated β-bridgetrans-88.8134.6-177.7-55-61.3000113.1V1791 D1792 I1798 K1870 T1876V1791-N1796 CarbonylContact C-O 3.59Å; V1791-N1796 VanDerWaalsContact CA-O 3.26Å; V1791-N1796 WeakPolarHBondContact CA-O 3.48Å; D1792-N1796 PolarHBondContact N-O 3.14Å; D1792-N1796 WeakPolarHBondContact OD1-CB 3.47Å; D1792-N1796 PolarHBondContact OD1-N 3.37Å; D1792-N1796 PolarHBondContact OD1-ND2 3.23Å; D1792-N1796 WeakPolarHBondContact OD2-CB 3.28Å; D1792-N1796 PolarHBondContact OD2-ND2 3.4Å; N1796-I1798 PolarHBondContact O-N 2.96Å; N1796-K1870 WeakPolarHBondContact OD1-CB 3.24Å; N1796-K1870 WeakPolarHBondContact OD1-CD 3.35Å; N1796-T1876 PolarHBondContact ND2-OG1 3.09Å
1797V81.6Confident77Confident4 Ų449.6 Ų49.62%0.02427%0.273CS..BIsolated β-bridgetrans-65.1121.2169.3179.60000110.9I1789 T1790 V1791 N1799 G1800 I1869 K1870 G1872I1789-V1797 HydrophobicContact CB-CG1 4.24Å; I1789-V1797 HydrophobicContact CD1-CG2 3.83Å; I1789-V1797 HydrophobicContact CG2-CG1 4.34Å; T1790-V1797 CarbonylContact O-C 3.55Å; T1790-V1797 WeakPolarHBondContact O-CA 3.31Å; V1791-V1797 HydrophobicContact CG2-CG2 4.47Å; V1797-N1799 PolarHBondContact O-N 3.22Å; V1797-G1800 PolarHBondContact O-N 2.9Å; V1797-I1869 HydrophobicContact CG2-CG2 3.52Å; V1797-K1870 WeakPolarHBondContact CG2-O 3.42Å; V1797-K1870 PolarHBondContact N-O 3.14Å; V1797-G1872 WeakPolarHBondContact O-CA 3.41Å
1798I74.7Confident75.9Confident69 Ų6955.8 Ų55.835%0.35430%0.297SS..THydrogen-bonded Turntrans-63.9124.6175.4-58.6-176.5000109.9T1790 N1796 G1800 R1814T1790-I1798 HydrophobicContact CG2-CD1 3.69Å; T1790-I1798 HydrophobicContact CG2-CG1 4.45Å; T1790-I1798 PolarHBondContact O-N 3.01Å; N1796-I1798 PolarHBondContact O-N 2.96Å; I1798-G1800 VanDerWaalsContact C-N 3.27Å; I1798-G1800 PolarHBondContact O-N 2.67Å; I1798-R1814 PolarHBondContact O-NH1 2.94Å
1799N75.2Confident74.7Confident134 Ų13457.2 Ų57.272%0.71731%0.307SS*.THydrogen-bonded Turntrans68.511.5-171.4-51.7-42.2000115.9V1797V1797-N1799 PolarHBondContact O-N 3.22Å
1800G79.4Confident73.9Confident7 Ų761.3 Ų61.37%0.07233%0.332CS..  trans76.6154.3176.600000115.2V1797 I1798 R1814 D1871V1797-G1800 PolarHBondContact O-N 2.9Å; I1798-G1800 VanDerWaalsContact C-N 3.27Å; I1798-G1800 PolarHBondContact O-N 2.67Å; G1800-R1814 WeakPolarHBondContact O-CD 3.35Å; G1800-R1814 PolarHBondContact O-NH1 3.46Å; G1800-D1871 CarbonylContact C-O 3.46Å; G1800-D1871 VanDerWaalsContact CA-O 3.3Å; G1800-D1871 WeakPolarHBondContact CA-O 3.46Å
1801L83.1Confident73.5Confident5 Ų563.2 Ų63.23%0.02634%0.335CS..SBendtrans-81.8-26.7174.5-166.769.9000112.4R1814 I1815 I1866 D1871L1801-R1814 WeakPolarHBondContact O-CB 3.31Å; L1801-R1814 PolarHBondContact O-N 3.36Å; L1801-I1815 HydrophobicContact CD1-CD1 4.08Å; L1801-I1866 HydrophobicContact CD1-CD1 3.78Å; L1801-I1866 HydrophobicContact CD1-CG1 4.28Å; L1801-I1866 HydrophobicContact CD2-CG1 4.46Å; L1801-D1871 PolarHBondContact N-O 2.75Å
1802Y80.9Confident73.3Confident31 Ų3170 Ų7012%0.12237%0.367CS..EExtended strand (participates in β ladder)trans-140161.1173.559.4-87.3000110.5E1804 K1811 Q1812 Y1813 D1871Y1802-E1804 HydrophobicContact CD2-CG 3.85Å; Y1802-E1804 HydrophobicContact CE2-CG 3.62Å; Y1802-K1811 HydrophobicContact CD1-CD 4.47Å; Y1802-K1811 HydrophobicContact CD2-CB 4.08Å; Y1802-K1811 HydrophobicContact CD2-CD 3.74Å; Y1802-K1811 HydrophobicContact CD2-CG 3.76Å; Y1802-K1811 HydrophobicContact CE1-CD 4.4Å; Y1802-K1811 HydrophobicContact CE2-CD 3.64Å; Y1802-K1811 HydrophobicContact CE2-CG 3.96Å; Y1802-K1811 HydrophobicContact CG-CB 4.42Å; Y1802-K1811 HydrophobicContact CG-CD 4.18Å; Y1802-K1811 HydrophobicContact CG-CG 4.44Å; Y1802-K1811 VanDerWaalsContact CZ-NZ 3.31Å; Y1802-K1811 PolarHBondContact OH-NZ 3.5Å; Y1802-K1811 VanDerWaalsContact OH-NZ 3.11Å; Y1802-Q1812 WeakPolarHBondContact CA-O 3.4Å; Y1802-Q1812 WeakPolarHBondContact CB-O 3.43Å; Y1802-Y1813 HydrophobicContact CD1-CE1 4.5Å; Y1802-D1871 HydrophobicContact CE1-CB 3.86Å; Y1802-D1871 WeakPolarHBondContact CE1-OD2 3.46Å; Y1802-D1871 PolarHBondContact OH-OD2 3.05Å
1803T76Confident73.6Confident82 Ų8270.6 Ų70.650%0.50337%0.367SS..EExtended strand (participates in β ladder)trans-108.9144.6166530000109.4Q1812T1803-Q1812 PolarHBondContact N-O 3.05Å; T1803-Q1812 PolarHBondContact O-N 3.3Å
1804E70Confident74.1Confident71 Ų7174 Ų7433%0.33238%0.376SS..EExtended strand (participates in β ladder)trans-103144.3173-66.7-174.5153.100108.9Y1802 K1808 K1811Y1802-E1804 HydrophobicContact CD2-CG 3.85Å; Y1802-E1804 HydrophobicContact CE2-CG 3.62Å; E1804-K1808 HydrophobicContact CB-CG 4.41Å; E1804-K1808 WeakPolarHBondContact OE2-CD 3.24Å; E1804-K1808 VanDerWaalsContact OE2-CG 3.3Å; E1804-K1808 WeakPolarHBondContact OE2-CG 3.27Å; E1804-K1811 HydrophobicContact CG-CG 4.4Å
1805D67.4Low74.6Confident62 Ų6272 Ų7233%0.33237%0.366SS..  trans-62.7164.616565.1-22.5000111A1807 K1808 T1809 T1810D1805-A1807 PolarHBondContact O-N 3.4Å; D1805-K1808 PolarHBondContact O-N 3.3Å; D1805-K1808 WeakPolarHBondContact OD1-CA 3.48Å; D1805-K1808 PolarHBondContact OD1-N 3.01Å; D1805-T1809 PolarHBondContact OD1-N 3.06Å; D1805-T1809 PolarHBondContact OD2-OG1 3.38Å; D1805-T1810 PolarHBondContact N-O 2.94Å; D1805-T1810 PolarHBondContact OD1-N 3.35Å
1806E61.7Low75Confident209 Ų20973.7 Ų73.798%0.97738%0.378SS*.THydrogen-bonded Turntrans-56.1-25.4180-74.7-171.116300113.1
1807A64.4Low75.5Confident69 Ų6973 Ų7357%0.5738%0.375SS*.THydrogen-bonded Turntrans-84.3-8176.800000114.4D1805 T1809D1805-A1807 PolarHBondContact O-N 3.4Å; A1807-T1809 HydrophobicContact CB-CG2 4.02Å; A1807-T1809 PolarHBondContact O-N 2.89Å
1808K61.8Low75.7Confident149 Ų14973.8 Ų73.865%0.64838%0.381SS*.SBendtrans55.330.3-174.3-53.7-171.5171.2-164.70114.7E1804 D1805E1804-K1808 HydrophobicContact CB-CG 4.41Å; E1804-K1808 WeakPolarHBondContact OE2-CD 3.24Å; E1804-K1808 VanDerWaalsContact OE2-CG 3.3Å; E1804-K1808 WeakPolarHBondContact OE2-CG 3.27Å; D1805-K1808 PolarHBondContact O-N 3.3Å; D1805-K1808 WeakPolarHBondContact OD1-CA 3.48Å; D1805-K1808 PolarHBondContact OD1-N 3.01Å
1809T59.8Low76.3Confident106 Ų10670.7 Ų70.765%0.6537%0.365SS*.  trans-99-27.5-178.460.60000112.7D1805 A1807D1805-T1809 PolarHBondContact OD1-N 3.06Å; D1805-T1809 PolarHBondContact OD2-OG1 3.38Å; A1807-T1809 HydrophobicContact CB-CG2 4.02Å; A1807-T1809 PolarHBondContact O-N 2.89Å
1810T65.7Low76.6Confident88 Ų8869.6 Ų69.654%0.5435%0.354SS..  trans-124.3119.2-173.7-39.30000109.7D1805D1805-T1810 PolarHBondContact N-O 2.94Å; D1805-T1810 PolarHBondContact OD1-N 3.35Å
1811K74.8Confident77.1Confident93 Ų9369.4 Ų69.440%0.40435%0.352SS..EExtended strand (participates in β ladder)trans-90.4118.5174.8-66.4-170.2177.7-163.90109.5Y1802 E1804 Y1813Y1802-K1811 HydrophobicContact CD1-CD 4.47Å; Y1802-K1811 HydrophobicContact CD2-CB 4.08Å; Y1802-K1811 HydrophobicContact CD2-CD 3.74Å; Y1802-K1811 HydrophobicContact CD2-CG 3.76Å; Y1802-K1811 HydrophobicContact CE1-CD 4.4Å; Y1802-K1811 HydrophobicContact CE2-CD 3.64Å; Y1802-K1811 HydrophobicContact CE2-CG 3.96Å; Y1802-K1811 HydrophobicContact CG-CB 4.42Å; Y1802-K1811 HydrophobicContact CG-CD 4.18Å; Y1802-K1811 HydrophobicContact CG-CG 4.44Å; Y1802-K1811 VanDerWaalsContact CZ-NZ 3.31Å; Y1802-K1811 PolarHBondContact OH-NZ 3.5Å; Y1802-K1811 VanDerWaalsContact OH-NZ 3.11Å; E1804-K1811 HydrophobicContact CG-CG 4.4Å; K1811-Y1813 HydrophobicContact CB-CE1 4.46Å; K1811-Y1813 HydrophobicContact CB-CE2 4.11Å
1812Q77.8Confident76.8Confident144 Ų14474.7 Ų74.767%0.67337%0.372SS*.EExtended strand (participates in β ladder)trans-97.1101.5170.9-166.7171.612.700108.6Y1802 T1803Y1802-Q1812 WeakPolarHBondContact CA-O 3.4Å; Y1802-Q1812 WeakPolarHBondContact CB-O 3.43Å; T1803-Q1812 PolarHBondContact N-O 3.05Å; T1803-Q1812 PolarHBondContact O-N 3.3Å
1813Y83.8Confident76.8Confident53 Ų5375.6 Ų75.621%0.20838%0.376CS..EExtended strand (participates in β ladder)trans-69.5134.5-178.7-63.4-77.9000111.3Y1802 K1811 M1855 F1862 V1863 T1864Y1802-Y1813 HydrophobicContact CD1-CE1 4.5Å; K1811-Y1813 HydrophobicContact CB-CE1 4.46Å; K1811-Y1813 HydrophobicContact CB-CE2 4.11Å; Y1813-M1855 HydrophobicContact CD2-CE 4.35Å; Y1813-M1855 HydrophobicContact CE2-CE 3.86Å; Y1813-F1862 HydrophobicContact CD2-CB 4.25Å; Y1813-F1862 HydrophobicContact CD2-CD1 4.47Å; Y1813-F1862 HydrophobicContact CG-CB 4.48Å; Y1813-V1863 WeakPolarHBondContact CD1-O 3.34Å; Y1813-T1864 HydrophobicContact CD1-CG2 4.25Å; Y1813-T1864 HydrophobicContact CD2-CG2 4.5Å; Y1813-T1864 HydrophobicContact CE1-CG2 3.75Å; Y1813-T1864 HydrophobicContact CE2-CG2 4.02Å
1814R82.8Confident76.7Confident120 Ų12074.4 Ų74.445%0.45338%0.381SS..SBendtrans-76.5-25.4-174.4-172.8174.8174.3-169.1-5.2113.4I1798 G1800 L1801I1798-R1814 PolarHBondContact O-NH1 2.94Å; G1800-R1814 WeakPolarHBondContact O-CD 3.35Å; G1800-R1814 PolarHBondContact O-NH1 3.46Å; L1801-R1814 WeakPolarHBondContact O-CB 3.31Å; L1801-R1814 PolarHBondContact O-N 3.36Å
1815I87.9Confident76.8Confident1 Ų179.5 Ų79.51%0.00541%0.406CS..  trans-112.9112.2-178.7-49.4176.5000108.3I1789 L1801 V1863 M1911 I1913I1789-I1815 HydrophobicContact CG2-CD1 3.87Å; L1801-I1815 HydrophobicContact CD1-CD1 4.08Å; I1815-V1863 HydrophobicContact CB-CB 4Å; I1815-V1863 HydrophobicContact CB-CG2 4Å; I1815-V1863 HydrophobicContact CG2-CB 4.22Å; I1815-V1863 HydrophobicContact CG2-CG2 3.65Å; I1815-V1863 PolarHBondContact O-N 2.87Å; I1815-M1911 HydrophobicContact CG2-CE 4.08Å; I1815-I1913 HydrophobicContact CD1-CD1 4.47Å; I1815-I1913 HydrophobicContact CD1-CG2 3.94Å; I1815-I1913 HydrophobicContact CG2-CD1 4.3Å
1816S86.3Confident77Confident37 Ų3782.2 Ų82.226%0.25942%0.421SS..EExtended strand (participates in β ladder)trans-152.1146.517863.90000112.3Q1784 I1861Q1784-S1816 PolarHBondContact OE1-O 3.17Å; S1816-I1861 CarbonylContact C-O 3.46Å; S1816-I1861 WeakPolarHBondContact CA-O 3.4Å
1817T89.7Confident77.9Confident0 Ų077.5 Ų77.50%040%0.401CS..EExtended strand (participates in β ladder)trans-137.6133.4175-162.50000112.2S1783 Q1784 T1860 I1861 I1897 M1911S1783-T1817 PolarHBondContact N-OG1 3.37Å; S1783-T1817 WeakPolarHBondContact OG-CA 3.31Å; S1783-T1817 PolarHBondContact OG-OG1 3.02Å; Q1784-T1817 PolarHBondContact N-OG1 2.8Å; Q1784-T1817 WeakPolarHBondContact O-CB 3.31Å; Q1784-T1817 PolarHBondContact O-OG1 2.91Å; T1817-T1860 CarbonylContact O-C 3.49Å; T1817-T1860 WeakPolarHBondContact O-CA 3.34Å; T1817-I1861 HydrophobicContact CG2-CB 4.25Å; T1817-I1861 HydrophobicContact CG2-CD1 4.22Å; T1817-I1861 PolarHBondContact N-O 3.01Å; T1817-I1861 PolarHBondContact O-N 3.3Å; T1817-I1897 HydrophobicContact CG2-CD1 3.82Å; T1817-M1911 HydrophobicContact CG2-CE 4.31Å; T1817-M1911 HydrophobicContact CG2-SD 3.53Å; T1817-M1911 VanDerWaalsContact CG2-SD 3.53Å
1818A86.1Confident78.8Confident20 Ų2074.6 Ų74.617%0.16538%0.376CS..EExtended strand (participates in β ladder)trans-93.5140174.500000110.8L1782 S1783 F1820 S1859 T1860L1782-A1818 CarbonylContact C-O 3.38Å; L1782-A1818 WeakPolarHBondContact CA-O 3.3Å; S1783-A1818 PolarHBondContact N-O 3.3Å; S1783-A1818 PolarHBondContact OG-N 3.42Å; A1818-F1820 HydrophobicContact CB-CE2 3.97Å; A1818-F1820 HydrophobicContact CB-CZ 4.02Å; A1818-S1859 WeakPolarHBondContact CA-O 3.38Å; A1818-T1860 HydrophobicContact CB-CG2 4.43Å
1819V88.3Confident79.8Confident3 Ų372.8 Ų72.82%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-101.4129.3-178.7-175.60000110V1780 L1782 V1821 V1845 S1859 I1861 I1897 V1899V1780-V1819 HydrophobicContact CG1-CG1 4.09Å; L1782-V1819 HydrophobicContact CD2-CB 4.46Å; L1782-V1819 HydrophobicContact CD2-CG1 4.5Å; L1782-V1819 HydrophobicContact CD2-CG2 3.84Å; V1819-V1821 HydrophobicContact CG1-CG2 4.11Å; V1819-V1845 HydrophobicContact CB-CG2 4.09Å; V1819-V1845 HydrophobicContact CG1-CG2 3.98Å; V1819-V1845 HydrophobicContact CG2-CG1 3.99Å; V1819-V1845 HydrophobicContact CG2-CG2 4.34Å; V1819-S1859 PolarHBondContact N-O 2.97Å; V1819-I1861 HydrophobicContact CG2-CD1 3.92Å; V1819-I1897 HydrophobicContact CG2-CG2 3.97Å; V1819-V1899 HydrophobicContact CG1-CG2 3.86Å
1820F81.4Confident80.9Confident111 Ų11171.8 Ų71.849%0.48736%0.361SS..EExtended strand (participates in β ladder)trans-123.6131.8175.9-53.9-86.9000110.4V1780 S1781 A1818V1780-F1820 WeakPolarHBondContact CA-O 3.4Å; S1781-F1820 PolarHBondContact N-O 2.81Å; S1781-F1820 PolarHBondContact O-N 2.76Å; S1781-F1820 PolarHBondContact OG-O 2.96Å; A1818-F1820 HydrophobicContact CB-CE2 3.97Å; A1818-F1820 HydrophobicContact CB-CZ 4.02Å
1821V88.9Confident81.7Confident3 Ų368.4 Ų68.42%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-124.6133.5-173.1-172.90000111.2D1779 V1780 V1819 L1828 Y1843 V1899 L1901D1779-V1821 WeakPolarHBondContact O-CA 3.35Å; V1780-V1821 HydrophobicContact CG2-CG1 4.35Å; V1780-V1821 HydrophobicContact CG2-CG2 4.38Å; V1819-V1821 HydrophobicContact CG1-CG2 4.11Å; V1821-L1828 HydrophobicContact CB-CB 4.35Å; V1821-L1828 HydrophobicContact CG1-CB 4.14Å; V1821-L1828 HydrophobicContact CG1-CD1 4.24Å; V1821-L1828 HydrophobicContact CG1-CD2 4.12Å; V1821-L1828 HydrophobicContact CG1-CG 4.4Å; V1821-L1828 PolarHBondContact O-N 3.39Å; V1821-Y1843 HydrophobicContact CB-CD1 3.7Å; V1821-Y1843 HydrophobicContact CB-CD2 4.3Å; V1821-Y1843 HydrophobicContact CB-CE1 4.01Å; V1821-Y1843 HydrophobicContact CB-CG 3.85Å; V1821-Y1843 HydrophobicContact CG1-CD1 4.28Å; V1821-Y1843 HydrophobicContact CG1-CG 4.2Å; V1821-Y1843 HydrophobicContact CG2-CD1 3.84Å; V1821-Y1843 HydrophobicContact CG2-CD2 3.5Å; V1821-Y1843 HydrophobicContact CG2-CE1 4.03Å; V1821-Y1843 HydrophobicContact CG2-CE2 3.74Å; V1821-Y1843 HydrophobicContact CG2-CG 3.56Å; V1821-V1899 HydrophobicContact CG1-CG1 4.4Å; V1821-V1899 HydrophobicContact CG2-CG1 3.63Å; V1821-L1901 HydrophobicContact CG1-CD2 3.21Å
1822R77.9Confident81.4Confident117 Ų11769.2 Ų69.244%0.44235%0.348SS..EExtended strand (participates in β ladder)trans-136156178-58.6-174.6-177-151.7-0.1111.5Y1778 D1779 D1826 I1827 L1828Y1778-R1822 CarbonylContact C-O 3.49Å; Y1778-R1822 WeakPolarHBondContact CA-O 3.31Å; D1779-R1822 PolarHBondContact N-O 3.45Å; D1779-R1822 PolarHBondContact O-N 3.3Å; R1822-D1826 CarbonylContact C-O 3.55Å; R1822-D1826 WeakPolarHBondContact CA-O 3.27Å; R1822-D1826 WeakPolarHBondContact CB-O 3.24Å; R1822-I1827 HydrophobicContact CG-CG1 4.23Å; R1822-L1828 VanDerWaalsContact C-CD1 3.4Å
1823K80Confident80.7Confident49 Ų4965.8 Ų65.821%0.21335%0.351CS..EExtended strand (participates in β ladder)trans-126.9105.5166.7-177.9-173.3-167.4168.50108.4A1777 Y1778 M1825 D1826 L1828 E1902A1777-K1823 HydrophobicContact CB-CG 3.95Å; A1777-K1823 CarbonylContact O-C 3.53Å; A1777-K1823 VanDerWaalsContact O-CA 3.28Å; A1777-K1823 WeakPolarHBondContact O-CA 3.48Å; Y1778-K1823 HydrophobicContact CD1-CB 3.77Å; Y1778-K1823 HydrophobicContact CD1-CD 4.2Å; Y1778-K1823 HydrophobicContact CD1-CG 3.93Å; Y1778-K1823 HydrophobicContact CE1-CB 3.93Å; Y1778-K1823 HydrophobicContact CE1-CD 3.54Å; Y1778-K1823 HydrophobicContact CE1-CG 3.79Å; Y1778-K1823 HydrophobicContact CG-CG 4.46Å; Y1778-K1823 WeakPolarHBondContact OH-CE 2.98Å; Y1778-K1823 PolarHBondContact OH-NZ 3.35Å; K1823-M1825 PolarHBondContact O-N 3.34Å; K1823-M1825 VanDerWaalsContact O-N 3.12Å; K1823-D1826 PolarHBondContact N-O 2.97Å; K1823-D1826 PolarHBondContact O-N 3.36Å; K1823-L1828 HydrophobicContact CB-CD1 3.67Å; K1823-L1828 VanDerWaalsContact N-CD1 3.29Å; K1823-E1902 WeakPolarHBondContact CD-OE2 3.49Å; K1823-E1902 IonicContact NZ-OE2 3.85Å; K1823-E1902 PolarHBondContact NZ-OE2 3.48Å
1824G73.9Confident79.6Confident58 Ų5870.4 Ų70.460%0.59838%0.379SS*.THydrogen-bonded Turntrans59.5-113.9-168.700000110.7A1777A1777-G1824 PolarHBondContact O-N 3.03Å
1825M73.6Confident78.1Confident178 Ų17867.2 Ų67.288%0.87737%0.373SS*.THydrogen-bonded Turntrans-92.5-13.4176.2-74.7-84.3-72.600113.3K1823K1823-M1825 PolarHBondContact O-N 3.34Å; K1823-M1825 VanDerWaalsContact O-N 3.12Å
1826D71.6Confident76.4Confident118 Ų11871.8 Ų71.863%0.63139%0.394SS*.EExtended strand (participates in β ladder)trans-85.6131.6-172.9-61.9-36.6000110.6R1822 K1823R1822-D1826 CarbonylContact C-O 3.55Å; R1822-D1826 WeakPolarHBondContact CA-O 3.27Å; R1822-D1826 WeakPolarHBondContact CB-O 3.24Å; K1823-D1826 PolarHBondContact N-O 2.97Å; K1823-D1826 PolarHBondContact O-N 3.36Å
1827I78.9Confident75.1Confident111 Ų11175.3 Ų75.357%0.56941%0.41SS*.EExtended strand (participates in β ladder)trans-85129.6173.7-62.6171.1000107.6R1822R1822-I1827 HydrophobicContact CG-CG1 4.23Å
1828L84.7Confident74.3Confident8 Ų875.6 Ų75.64%0.04241%0.412CS..PPolyproline II helixtrans-84.8150.4172.6-71.273000108.9Y1778 V1821 R1822 K1823 G1841 Y1843 L1901 E1902Y1778-L1828 HydrophobicContact CD1-CD2 4.38Å; Y1778-L1828 HydrophobicContact CE1-CD2 4.31Å; V1821-L1828 HydrophobicContact CB-CB 4.35Å; V1821-L1828 HydrophobicContact CG1-CB 4.14Å; V1821-L1828 HydrophobicContact CG1-CD1 4.24Å; V1821-L1828 HydrophobicContact CG1-CD2 4.12Å; V1821-L1828 HydrophobicContact CG1-CG 4.4Å; V1821-L1828 PolarHBondContact O-N 3.39Å; R1822-L1828 VanDerWaalsContact C-CD1 3.4Å; K1823-L1828 HydrophobicContact CB-CD1 3.67Å; K1823-L1828 VanDerWaalsContact N-CD1 3.29Å; L1828-G1841 WeakPolarHBondContact CA-O 3.34Å; L1828-Y1843 HydrophobicContact CB-CD1 3.7Å; L1828-Y1843 HydrophobicContact CB-CE1 4.49Å; L1828-Y1843 VanDerWaalsContact O-CE1 3.25Å; L1828-Y1843 WeakPolarHBondContact O-CE1 3.46Å; L1828-L1901 HydrophobicContact CD2-CD2 4.31Å; L1828-E1902 HydrophobicContact CD2-CG 3.73Å
1829L81.4Confident73.8Confident111 Ų11177.5 Ų77.558%0.58142%0.422SS*.EExtended strand (participates in β ladder)trans-98.5149177.2-63.5173.8000110.4E1831 G1841 H1842 Y1843L1829-E1831 PolarHBondContact O-N 2.76Å; L1829-G1841 PolarHBondContact N-O 3.05Å; L1829-G1841 VanDerWaalsContact N-O 3.08Å; L1829-H1842 CarbonylContact O-C 3.55Å; L1829-H1842 WeakPolarHBondContact O-CA 3.32Å; L1829-H1842 WeakPolarHBondContact O-CB 3.42Å; L1829-Y1843 VanDerWaalsContact C-CD1 3.41Å; L1829-Y1843 WeakPolarHBondContact O-CD1 3.44Å; L1829-Y1843 PolarHBondContact O-N 3.11Å
1830E83.7Confident73.1Confident85 Ų8581.2 Ų81.240%0.39745%0.453SS..EExtended strand (participates in β ladder)trans-62.1128.2171.1-173.4171.2-168.400108.6Y1843 S1859E1830-Y1843 WeakPolarHBondContact CA-O 3.46Å; E1830-Y1843 HydrophobicContact CB-CE1 4.34Å; E1830-Y1843 HydrophobicContact CB-CE2 4.4Å; E1830-Y1843 VanDerWaalsContact N-CE1 3.3Å; E1830-S1859 PolarHBondContact OE1-N 3.27Å; E1830-S1859 PolarHBondContact OE2-N 3.36Å; E1830-S1859 VanDerWaalsContact OE2-N 3.12Å; E1830-S1859 PolarHBondContact OE2-OG 2.93Å
1831E83.4Confident73Confident17 Ų1777.5 Ų77.58%0.07945%0.446CS..PPolyproline II helixtrans-62.5141.6178.3-176.358.7-107.700110.5L1829 G1833 T1835 T1839 H1842 Y1843L1829-E1831 PolarHBondContact O-N 2.76Å; E1831-G1833 PolarHBondContact O-N 2.65Å; E1831-T1835 WeakPolarHBondContact CG-OG1 3.22Å; E1831-T1835 PolarHBondContact OE1-OG1 3.2Å; E1831-T1839 WeakPolarHBondContact OE2-CB 3.47Å; E1831-T1839 PolarHBondContact OE2-N 2.74Å; E1831-T1839 PolarHBondContact OE2-OG1 2.94Å; E1831-H1842 HydrophobicContact CB-CB 3.95Å; E1831-H1842 HydrophobicContact CG-CB 4.46Å; E1831-H1842 WeakPolarHBondContact OE2-CB 3.47Å; E1831-H1842 IonicContact OE2-CG 2.61Å; E1831-H1842 IonicContact OE2-ND1 2.69Å; E1831-Y1843 WeakPolarHBondContact CB-O 3.36Å; E1831-Y1843 PolarHBondContact N-O 3.28Å
1832D67.5Low72.7Confident109 Ų10979.8 Ų79.858%0.58346%0.456SS*.PPolyproline II helixtrans-66137.8-178.4-160.6-2.8000109.6N1834 T1835D1832-N1834 PolarHBondContact O-N 3.32Å; D1832-T1835 PolarHBondContact O-N 2.6Å; D1832-T1835 PolarHBondContact O-OG1 2.86Å; D1832-T1835 VanDerWaalsContact O-OG1 3.05Å
1833G62.6Low73.2Confident72 Ų7275.1 Ų75.174%0.74244%0.439SS*.THydrogen-bonded Turntrans-64.1-4.6-170.500000115.2E1831E1831-G1833 PolarHBondContact O-N 2.65Å
1834N61.4Low73.3Confident151 Ų15175.1 Ų75.181%0.80744%0.437SS*.THydrogen-bonded Turntrans-102.2-1.1-177.5-64.2-44.9000114.5D1832D1832-N1834 PolarHBondContact O-N 3.32Å
1835T51.9Low73.7Confident52 Ų5273 Ų7332%0.31941%0.413SS..  trans-95142178.754.10000111.2E1831 D1832 R1844E1831-T1835 WeakPolarHBondContact CG-OG1 3.22Å; E1831-T1835 PolarHBondContact OE1-OG1 3.2Å; D1832-T1835 PolarHBondContact O-N 2.6Å; D1832-T1835 PolarHBondContact O-OG1 2.86Å; D1832-T1835 VanDerWaalsContact O-OG1 3.05Å; T1835-R1844 PolarHBondContact O-NH2 3.39Å; T1835-R1844 PolarHBondContact OG1-NH2 3.1Å
1836E52.3Low73.9Confident97 Ų9767.3 Ų67.345%0.45338%0.384SS..SBendtrans-74.7-47.4-179.5-133.5-178.3152.100110.8S1668 R1844S1668-E1836 WeakPolarHBondContact CA-OE1 3.39Å; S1668-E1836 WeakPolarHBondContact CB-OE1 3.26Å; S1668-E1836 PolarHBondContact N-OE1 3.24Å; S1668-E1836 VanDerWaalsContact N-OE1 3.07Å; S1668-E1836 VanDerWaalsContact OG-CD 3.29Å; S1668-E1836 PolarHBondContact OG-OE1 2.77Å; E1836-R1844 PolarHBondContact O-NH1 3.11Å
1837D58.4Low74.1Confident111 Ų11162.6 Ų62.659%0.59436%0.361SS*.SBendtrans-103150.2-179.7-57.2-44.3000111.9T1839D1837-T1839 PolarHBondContact O-N 2.81Å
1838V72.3Confident73.8Confident7 Ų757.5 Ų57.54%0.04234%0.335CS..PPolyproline II helixtrans-77.1119.3171.5-176.70000109.5H1842 R1844 E1900 E1902 G1903V1838-H1842 HydrophobicContact CG1-CB 4.25Å; V1838-H1842 WeakPolarHBondContact CG1-O 3.31Å; V1838-R1844 HydrophobicContact CG2-CB 3.64Å; V1838-E1900 HydrophobicContact CG2-CB 4.14Å; V1838-E1900 HydrophobicContact CG2-CG 4.01Å; V1838-E1900 WeakPolarHBondContact CG2-OE2 3.47Å; V1838-E1902 CarbonylContact O-C 3.5Å; V1838-E1902 VanDerWaalsContact O-C 3.29Å; V1838-G1903 PolarHBondContact O-N 3.24Å
1839T75Confident73.4Confident60 Ų6058.2 Ų58.237%0.36834%0.341SS..PPolyproline II helixtrans-85.5162-175.963.30000112.4E1831 D1837 G1841 H1842E1831-T1839 WeakPolarHBondContact OE2-CB 3.47Å; E1831-T1839 PolarHBondContact OE2-N 2.74Å; E1831-T1839 PolarHBondContact OE2-OG1 2.94Å; D1837-T1839 PolarHBondContact O-N 2.81Å; T1839-G1841 PolarHBondContact O-N 2.97Å; T1839-H1842 WeakPolarHBondContact O-CB 3.4Å; T1839-H1842 PolarHBondContact O-N 3.02Å; T1839-H1842 PolarHBondContact OG1-ND1 3.08Å
1840A75.3Confident73.2Confident80 Ų8055.8 Ų55.866%0.66133%0.327SS*.THydrogen-bonded Turntrans-56.7134.4174.400000111.2H1842A1840-H1842 PolarHBondContact O-ND1 2.78Å
1841G77.5Confident73.2Confident33 Ų3355.6 Ų55.634%0.3433%0.328SS..THydrogen-bonded Turntrans87.3-5.6-172.100000115.3L1828 L1829 T1839 E1902L1828-G1841 WeakPolarHBondContact CA-O 3.34Å; L1829-G1841 PolarHBondContact N-O 3.05Å; L1829-G1841 VanDerWaalsContact N-O 3.08Å; T1839-G1841 PolarHBondContact O-N 2.97Å; G1841-E1902 PolarHBondContact N-OE1 3.47Å
1842H84.1Confident73.4Confident52 Ų5255.2 Ų55.224%0.24133%0.328CS..EExtended strand (participates in β ladder)trans-120.1160.7-173.4-59.786.3000114.1L1829 E1831 V1838 T1839 A1840 E1902L1829-H1842 CarbonylContact O-C 3.55Å; L1829-H1842 WeakPolarHBondContact O-CA 3.32Å; L1829-H1842 WeakPolarHBondContact O-CB 3.42Å; E1831-H1842 HydrophobicContact CB-CB 3.95Å; E1831-H1842 HydrophobicContact CG-CB 4.46Å; E1831-H1842 WeakPolarHBondContact OE2-CB 3.47Å; E1831-H1842 IonicContact OE2-CG 2.61Å; E1831-H1842 IonicContact OE2-ND1 2.69Å; V1838-H1842 HydrophobicContact CG1-CB 4.25Å; V1838-H1842 WeakPolarHBondContact CG1-O 3.31Å; T1839-H1842 WeakPolarHBondContact O-CB 3.4Å; T1839-H1842 PolarHBondContact O-N 3.02Å; T1839-H1842 PolarHBondContact OG1-ND1 3.08Å; A1840-H1842 PolarHBondContact O-ND1 2.78Å; H1842-E1902 PolarHBondContact O-N 3.28Å
1843Y87.3Confident74.1Confident18 Ų1855.6 Ų55.67%0.07133%0.326CS..EExtended strand (participates in β ladder)trans-133.4158.9172.672.4-86.3000111.5V1821 L1828 L1829 E1830 E1831 V1845 S1859 V1899 E1900V1821-Y1843 HydrophobicContact CB-CD1 3.7Å; V1821-Y1843 HydrophobicContact CB-CD2 4.3Å; V1821-Y1843 HydrophobicContact CB-CE1 4.01Å; V1821-Y1843 HydrophobicContact CB-CG 3.85Å; V1821-Y1843 HydrophobicContact CG1-CD1 4.28Å; V1821-Y1843 HydrophobicContact CG1-CG 4.2Å; V1821-Y1843 HydrophobicContact CG2-CD1 3.84Å; V1821-Y1843 HydrophobicContact CG2-CD2 3.5Å; V1821-Y1843 HydrophobicContact CG2-CE1 4.03Å; V1821-Y1843 HydrophobicContact CG2-CE2 3.74Å; V1821-Y1843 HydrophobicContact CG2-CG 3.56Å; L1828-Y1843 HydrophobicContact CB-CD1 3.7Å; L1828-Y1843 HydrophobicContact CB-CE1 4.49Å; L1828-Y1843 VanDerWaalsContact O-CE1 3.25Å; L1828-Y1843 WeakPolarHBondContact O-CE1 3.46Å; L1829-Y1843 VanDerWaalsContact C-CD1 3.41Å; L1829-Y1843 WeakPolarHBondContact O-CD1 3.44Å; L1829-Y1843 PolarHBondContact O-N 3.11Å; E1830-Y1843 WeakPolarHBondContact CA-O 3.46Å; E1830-Y1843 HydrophobicContact CB-CE1 4.34Å; E1830-Y1843 HydrophobicContact CB-CE2 4.4Å; E1830-Y1843 VanDerWaalsContact N-CE1 3.3Å; E1831-Y1843 WeakPolarHBondContact CB-O 3.36Å; E1831-Y1843 PolarHBondContact N-O 3.28Å; Y1843-V1845 HydrophobicContact CD2-CG2 3.7Å; Y1843-V1845 HydrophobicContact CE2-CG2 3.46Å; Y1843-V1845 VanDerWaalsContact CE2-CG2 3.46Å; Y1843-S1859 WeakPolarHBondContact OH-CB 3.12Å; Y1843-S1859 PolarHBondContact OH-OG 3.33Å; Y1843-V1899 HydrophobicContact CD2-CG1 4.05Å; Y1843-V1899 HydrophobicContact CG-CG1 4.41Å; Y1843-E1900 CarbonylContact C-O 3.59Å; Y1843-E1900 WeakPolarHBondContact CA-O 3.35Å; Y1843-E1900 WeakPolarHBondContact CB-O 3.5Å
1844R83.3Confident75.2Confident50 Ų5053.9 Ų53.919%0.18930%0.301CS..EExtended strand (participates in β ladder)trans-128.9137.8172.1-174174.6-70.6165.7-2.9110.1T1835 E1836 V1838 H1846 V1899 E1900T1835-R1844 PolarHBondContact O-NH2 3.39Å; T1835-R1844 PolarHBondContact OG1-NH2 3.1Å; E1836-R1844 PolarHBondContact O-NH1 3.11Å; V1838-R1844 HydrophobicContact CG2-CB 3.64Å; R1844-H1846 VanDerWaalsContact CD-NE2 3.33Å; R1844-H1846 WeakPolarHBondContact CD-NE2 3.35Å; R1844-H1846 WeakPolarHBondContact CG-NE2 3.24Å; R1844-V1899 WeakPolarHBondContact O-CA 3.24Å; R1844-E1900 HydrophobicContact CB-CB 4.42Å; R1844-E1900 PolarHBondContact N-O 3.01Å; R1844-E1900 PolarHBondContact O-N 2.93Å
1845V81.6Confident76.2Confident14 Ų1450 Ų509%0.08528%0.279CS..EExtended strand (participates in β ladder)trans-105.4127.6-179.4-177.80000109.5V1819 Y1843 V1856 I1861 I1897V1819-V1845 HydrophobicContact CB-CG2 4.09Å; V1819-V1845 HydrophobicContact CG1-CG2 3.98Å; V1819-V1845 HydrophobicContact CG2-CG1 3.99Å; V1819-V1845 HydrophobicContact CG2-CG2 4.34Å; Y1843-V1845 HydrophobicContact CD2-CG2 3.7Å; Y1843-V1845 HydrophobicContact CE2-CG2 3.46Å; Y1843-V1845 VanDerWaalsContact CE2-CG2 3.46Å; V1845-V1856 HydrophobicContact CB-CG1 4.49Å; V1845-V1856 HydrophobicContact CG1-CG1 4.27Å; V1845-I1861 HydrophobicContact CG1-CD1 4.25Å; V1845-I1897 HydrophobicContact CG1-CG2 3.9Å
1846H77.2Confident77.6Confident57 Ų5750.2 Ų50.226%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-117.1135.8168-58.7-77.6000108.4R1844 I1897 V1898R1844-H1846 VanDerWaalsContact CD-NE2 3.33Å; R1844-H1846 WeakPolarHBondContact CD-NE2 3.35Å; R1844-H1846 WeakPolarHBondContact CG-NE2 3.24Å; H1846-I1897 CarbonylContact O-C 3.5Å; H1846-I1897 WeakPolarHBondContact O-CA 3.43Å; H1846-V1898 HydrophobicContact CB-CB 4.33Å; H1846-V1898 PolarHBondContact N-O 2.86Å; H1846-V1898 PolarHBondContact O-N 2.93Å
1847A77.3Confident78.8Confident19 Ų1950.9 Ų50.916%0.15728%0.283CS..EExtended strand (participates in β ladder)trans-113.9134.5172.700000109.3V1854 V1856 I1861 V1895A1847-V1854 HydrophobicContact CB-CG2 3.94Å; A1847-V1856 HydrophobicContact CB-CG2 3.5Å; A1847-I1861 HydrophobicContact CB-CD1 4.12Å; A1847-I1861 HydrophobicContact CB-CG1 4.11Å; A1847-I1861 HydrophobicContact CB-CG2 3.99Å; A1847-V1895 HydrophobicContact CB-CG1 4.27Å
1848V71.5Confident79.8Confident4 Ų451.7 Ų51.72%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-116.3127.8176.7164.50000106.2V1605 M1649 H1650 V1895 T1896V1605-V1848 HydrophobicContact CG1-CG1 4.18Å; V1605-V1848 HydrophobicContact CG2-CG1 4.48Å; M1649-V1848 HydrophobicContact CB-CG2 4.42Å; M1649-V1848 WeakPolarHBondContact O-CB 3.36Å; M1649-V1848 WeakPolarHBondContact O-CG1 3.26Å; M1649-V1848 WeakPolarHBondContact O-CG2 3.35Å; H1650-V1848 HydrophobicContact CB-CG1 3.83Å; V1848-V1895 CarbonylContact O-C 3.35Å; V1848-V1895 WeakPolarHBondContact O-CA 3.39Å; V1848-T1896 WeakPolarHBondContact CB-O 3.24Å; V1848-T1896 PolarHBondContact N-O 3.43Å; V1848-T1896 PolarHBondContact O-N 3.2Å
1849S77.4Confident80.2Confident24 Ų2451.8 Ų51.817%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-122117.5-174560000112.1H1650 C1852 M1894H1650-S1849 PolarHBondContact CD2-O 3.44Å; H1650-S1849 PolarHBondContact CE1-O 3.22Å; H1650-S1849 PolarHBondContact NE2-O 2.76Å; S1849-C1852 VanDerWaalsContact CB-O 3.24Å; S1849-C1852 WeakPolarHBondContact CB-O 3.32Å; S1849-C1852 PolarHBondContact OG-O 3.32Å; S1849-M1894 CarbonylContact C-O 3.6Å; S1849-M1894 WeakPolarHBondContact CA-O 3.17Å
1850E75.4Confident80.7Confident59 Ų5950.4 Ų50.428%0.27628%0.28SS..EExtended strand (participates in β ladder)trans-95.4130171-67.3165.3-160.600108.9C1852 A1893 M1894E1850-C1852 PolarHBondContact O-N 2.94Å; E1850-C1852 PolarHBondContact O-SG 3.28Å; E1850-C1852 VanDerWaalsContact O-SG 3.39Å; E1850-A1893 WeakPolarHBondContact O-CA 3.11Å; E1850-A1893 WeakPolarHBondContact O-CB 3.49Å; E1850-M1894 HydrophobicContact CB-CB 4.24Å; E1850-M1894 PolarHBondContact N-O 2.87Å; E1850-M1894 PolarHBondContact O-N 3.31Å
1851D85.2Confident81.2Confident81 Ų8146.6 Ų46.643%0.43325%0.249SC..SBendtrans54.714.8-178.1-65.8-46.2000117R1867 A1893D1851-R1867 PolarHBondContact O-N 3.4Å; D1851-A1893 HydrophobicContact CB-CB 4.07Å
1852C86.2Confident81.7Confident10 Ų1047.4 Ų47.47%0.06824%0.243CC..EExtended strand (participates in β ladder)trans-142.3166.5173.359.70000112.1S1849 E1850 V1863 A1865 I1866 A1893S1849-C1852 VanDerWaalsContact CB-O 3.24Å; S1849-C1852 WeakPolarHBondContact CB-O 3.32Å; S1849-C1852 PolarHBondContact OG-O 3.32Å; E1850-C1852 PolarHBondContact O-N 2.94Å; E1850-C1852 PolarHBondContact O-SG 3.28Å; E1850-C1852 VanDerWaalsContact O-SG 3.39Å; C1852-V1863 HydrophobicContact CB-CG1 3.91Å; C1852-A1865 WeakPolarHBondContact CA-O 3.43Å; C1852-A1865 WeakPolarHBondContact CB-O 3.36Å; C1852-I1866 HydrophobicContact CB-CG1 4.33Å; C1852-A1893 HydrophobicContact CB-CB 3.98Å
1853E82.9Confident81.9Confident117 Ų11745 Ų4555%0.54723%0.231SC..EExtended strand (participates in β ladder)trans-106.9135.5170.4-65.8-178.2179.900109.3V1863 T1864 A1865E1853-V1863 CarbonylContact O-C 3.59Å; E1853-V1863 WeakPolarHBondContact O-CA 3.41Å; E1853-T1864 WeakPolarHBondContact CB-OG1 3.47Å; E1853-T1864 PolarHBondContact O-N 3.13Å; E1853-T1864 PolarHBondContact O-OG1 2.9Å; E1853-A1865 HydrophobicContact CB-CB 4.11Å; E1853-A1865 HydrophobicContact CG-CB 4.15Å; E1853-A1865 PolarHBondContact N-O 3.38Å
1854V86.2Confident81.8Confident35 Ų3545.6 Ų45.621%0.21224%0.237CC..EExtended strand (participates in β ladder)trans-126.3150-179-64.10000112.7A1847 I1861 F1862 V1863 V1895A1847-V1854 HydrophobicContact CB-CG2 3.94Å; V1854-I1861 HydrophobicContact CB-CG2 4.03Å; V1854-I1861 HydrophobicContact CG1-CG2 4.18Å; V1854-F1862 CarbonylContact C-O 3.59Å; V1854-F1862 VanDerWaalsContact CA-O 3.23Å; V1854-F1862 WeakPolarHBondContact CA-O 3.2Å; V1854-V1863 HydrophobicContact CG1-CG2 4.26Å; V1854-V1895 HydrophobicContact CG1-CG1 4.16Å; V1854-V1895 HydrophobicContact CG1-CG2 3.67Å
1855M82.1Confident81.9Confident69 Ų6944.6 Ų44.634%0.3424%0.24SC..EExtended strand (participates in β ladder)trans-125.5126.9173.3171.6175.350.900108.9Y1813 I1861 F1862 T1864Y1813-M1855 HydrophobicContact CD2-CE 4.35Å; Y1813-M1855 HydrophobicContact CE2-CE 3.86Å; M1855-I1861 CarbonylContact O-C 3.59Å; M1855-I1861 WeakPolarHBondContact O-CA 3.49Å; M1855-F1862 HydrophobicContact CE-CB 4.17Å; M1855-F1862 HydrophobicContact CE-CD2 4.25Å; M1855-F1862 HydrophobicContact CE-CG 4.38Å; M1855-F1862 PolarHBondContact N-O 2.84Å; M1855-F1862 PolarHBondContact O-N 3.28Å; M1855-T1864 HydrophobicContact CB-CG2 4.07Å; M1855-T1864 HydrophobicContact CE-CG2 4.02Å
1856V80.9Confident82.2Confident58 Ų5844.5 Ų44.535%0.35224%0.239SC..EExtended strand (participates in β ladder)trans-101.3121.3174.5-169.10000108.9V1845 A1847 T1860 I1861V1845-V1856 HydrophobicContact CB-CG1 4.49Å; V1845-V1856 HydrophobicContact CG1-CG1 4.27Å; A1847-V1856 HydrophobicContact CB-CG2 3.5Å; V1856-T1860 CarbonylContact C-O 3.47Å; V1856-T1860 WeakPolarHBondContact CA-O 3.32Å; V1856-I1861 HydrophobicContact CG1-CG1 4.28Å; V1856-I1861 HydrophobicContact CG2-CG1 4.08Å
1857Q76.6Confident82.5Confident111 Ų11148.8 Ų48.852%0.51925%0.253SS..EExtended strand (participates in β ladder)trans-145.3126.2177.7-167.8174.97.200110S1859 T1860 F1862Q1857-S1859 PolarHBondContact O-N 3.22Å; Q1857-T1860 PolarHBondContact N-O 3.44Å; Q1857-T1860 WeakPolarHBondContact O-CA 3.38Å; Q1857-T1860 WeakPolarHBondContact O-CB 3.31Å; Q1857-T1860 PolarHBondContact O-N 2.73Å; Q1857-F1862 HydrophobicContact CB-CE2 4.35Å
1858N79.8Confident82.9Confident127 Ų12751 Ų5168%0.67926%0.262SS*.THydrogen-bonded Turntrans51.354.2-179.7-61.736.6000112.3T1860N1858-T1860 PolarHBondContact O-N 2.96Å; N1858-T1860 PolarHBondContact O-OG1 3.46Å
1859S81.4Confident83.7Confident9 Ų951.7 Ų51.76%0.06327%0.265CS..THydrogen-bonded Turntrans53.520.7-174.6-63.20000115.2A1818 V1819 E1830 Y1843 Q1857A1818-S1859 WeakPolarHBondContact CA-O 3.38Å; V1819-S1859 PolarHBondContact N-O 2.97Å; E1830-S1859 PolarHBondContact OE1-N 3.27Å; E1830-S1859 PolarHBondContact OE2-N 3.36Å; E1830-S1859 VanDerWaalsContact OE2-N 3.12Å; E1830-S1859 PolarHBondContact OE2-OG 2.93Å; Y1843-S1859 WeakPolarHBondContact OH-CB 3.12Å; Y1843-S1859 PolarHBondContact OH-OG 3.33Å; Q1857-S1859 PolarHBondContact O-N 3.22Å
1860T85.7Confident83.9Confident32 Ų3251.9 Ų51.920%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-119.2133.5176.3-520000110.3T1817 A1818 V1856 Q1857 N1858 F1862T1817-T1860 CarbonylContact O-C 3.49Å; T1817-T1860 WeakPolarHBondContact O-CA 3.34Å; A1818-T1860 HydrophobicContact CB-CG2 4.43Å; V1856-T1860 CarbonylContact C-O 3.47Å; V1856-T1860 WeakPolarHBondContact CA-O 3.32Å; Q1857-T1860 PolarHBondContact N-O 3.44Å; Q1857-T1860 WeakPolarHBondContact O-CA 3.38Å; Q1857-T1860 WeakPolarHBondContact O-CB 3.31Å; Q1857-T1860 PolarHBondContact O-N 2.73Å; N1858-T1860 PolarHBondContact O-N 2.96Å; N1858-T1860 PolarHBondContact O-OG1 3.46Å; T1860-F1862 HydrophobicContact CG2-CD2 4.37Å; T1860-F1862 HydrophobicContact CG2-CE1 4Å; T1860-F1862 HydrophobicContact CG2-CE2 3.7Å; T1860-F1862 HydrophobicContact CG2-CZ 3.48Å; T1860-F1862 VanDerWaalsContact CG2-CZ 3.48Å
1861I86.3Confident83.7Confident0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-106.7123.7-178.2-57.4154.6000108.3S1816 T1817 V1819 V1845 A1847 V1854 M1855 V1856 V1895 I1897S1816-I1861 CarbonylContact C-O 3.46Å; S1816-I1861 WeakPolarHBondContact CA-O 3.4Å; T1817-I1861 HydrophobicContact CG2-CB 4.25Å; T1817-I1861 HydrophobicContact CG2-CD1 4.22Å; T1817-I1861 PolarHBondContact N-O 3.01Å; T1817-I1861 PolarHBondContact O-N 3.3Å; V1819-I1861 HydrophobicContact CG2-CD1 3.92Å; V1845-I1861 HydrophobicContact CG1-CD1 4.25Å; A1847-I1861 HydrophobicContact CB-CD1 4.12Å; A1847-I1861 HydrophobicContact CB-CG1 4.11Å; A1847-I1861 HydrophobicContact CB-CG2 3.99Å; V1854-I1861 HydrophobicContact CB-CG2 4.03Å; V1854-I1861 HydrophobicContact CG1-CG2 4.18Å; M1855-I1861 CarbonylContact O-C 3.59Å; M1855-I1861 WeakPolarHBondContact O-CA 3.49Å; V1856-I1861 HydrophobicContact CG1-CG1 4.28Å; V1856-I1861 HydrophobicContact CG2-CG1 4.08Å; I1861-V1895 HydrophobicContact CG2-CG1 4.09Å; I1861-I1897 HydrophobicContact CD1-CB 4.26Å; I1861-I1897 HydrophobicContact CD1-CD1 3.37Å; I1861-I1897 HydrophobicContact CD1-CG1 3.52Å; I1861-I1897 HydrophobicContact CD1-CG2 3.79Å
1862F87.6Confident82.8Confident50 Ų5048.9 Ų48.922%0.21925%0.253CS..EExtended strand (participates in β ladder)trans-112.5134.5179.2-58.9-87.8000110Y1813 V1854 M1855 Q1857 T1860Y1813-F1862 HydrophobicContact CD2-CB 4.25Å; Y1813-F1862 HydrophobicContact CD2-CD1 4.47Å; Y1813-F1862 HydrophobicContact CG-CB 4.48Å; V1854-F1862 CarbonylContact C-O 3.59Å; V1854-F1862 VanDerWaalsContact CA-O 3.23Å; V1854-F1862 WeakPolarHBondContact CA-O 3.2Å; M1855-F1862 HydrophobicContact CE-CB 4.17Å; M1855-F1862 HydrophobicContact CE-CD2 4.25Å; M1855-F1862 HydrophobicContact CE-CG 4.38Å; M1855-F1862 PolarHBondContact N-O 2.84Å; M1855-F1862 PolarHBondContact O-N 3.28Å; Q1857-F1862 HydrophobicContact CB-CE2 4.35Å; T1860-F1862 HydrophobicContact CG2-CD2 4.37Å; T1860-F1862 HydrophobicContact CG2-CE1 4Å; T1860-F1862 HydrophobicContact CG2-CE2 3.7Å; T1860-F1862 HydrophobicContact CG2-CZ 3.48Å; T1860-F1862 VanDerWaalsContact CG2-CZ 3.48Å
1863V88.6Confident81.4Confident0 Ų052.6 Ų52.60%028%0.275CS..EExtended strand (participates in β ladder)trans-90.5116.7172.7-176.40000108.8Y1813 I1815 C1852 E1853 V1854 I1866 V1895 M1911 I1913Y1813-V1863 WeakPolarHBondContact CD1-O 3.34Å; I1815-V1863 HydrophobicContact CB-CB 4Å; I1815-V1863 HydrophobicContact CB-CG2 4Å; I1815-V1863 HydrophobicContact CG2-CB 4.22Å; I1815-V1863 HydrophobicContact CG2-CG2 3.65Å; I1815-V1863 PolarHBondContact O-N 2.87Å; C1852-V1863 HydrophobicContact CB-CG1 3.91Å; E1853-V1863 CarbonylContact O-C 3.59Å; E1853-V1863 WeakPolarHBondContact O-CA 3.41Å; V1854-V1863 HydrophobicContact CG1-CG2 4.26Å; V1863-I1866 HydrophobicContact CG1-CG1 4.32Å; V1863-V1895 HydrophobicContact CG2-CG2 4.3Å; V1863-M1911 HydrophobicContact CG2-CE 4.27Å; V1863-I1913 HydrophobicContact CG1-CD1 4.22Å; V1863-I1913 HydrophobicContact CG2-CD1 3.68Å
1864T84.5Confident79.6Confident31 Ų3152 Ų5219%0.1929%0.29CS..EExtended strand (participates in β ladder)trans-98.4-27.4-170.8560000113.7Y1813 E1853 M1855Y1813-T1864 HydrophobicContact CD1-CG2 4.25Å; Y1813-T1864 HydrophobicContact CD2-CG2 4.5Å; Y1813-T1864 HydrophobicContact CE1-CG2 3.75Å; Y1813-T1864 HydrophobicContact CE2-CG2 4.02Å; E1853-T1864 WeakPolarHBondContact CB-OG1 3.47Å; E1853-T1864 PolarHBondContact O-N 3.13Å; E1853-T1864 PolarHBondContact O-OG1 2.9Å; M1855-T1864 HydrophobicContact CB-CG2 4.07Å; M1855-T1864 HydrophobicContact CE-CG2 4.02Å
1865A85.4Confident77.9Confident30 Ų3053.8 Ų53.825%0.24832%0.316CS..EExtended strand (participates in β ladder)trans-153.3159.4176.500000110.9C1852 E1853C1852-A1865 WeakPolarHBondContact CA-O 3.43Å; C1852-A1865 WeakPolarHBondContact CB-O 3.36Å; E1853-A1865 HydrophobicContact CB-CB 4.11Å; E1853-A1865 HydrophobicContact CG-CB 4.15Å; E1853-A1865 PolarHBondContact N-O 3.38Å
1866I87.2Confident76.6Confident11 Ų1153.3 Ų53.36%0.05632%0.317CS..EExtended strand (participates in β ladder)trans-124.5130171.8-64.1173.6000107.2I1789 L1801 C1852 V1863 I1869 I1915I1789-I1866 HydrophobicContact CD1-CD1 3.36Å; I1789-I1866 HydrophobicContact CG1-CD1 4.12Å; L1801-I1866 HydrophobicContact CD1-CD1 3.78Å; L1801-I1866 HydrophobicContact CD1-CG1 4.28Å; L1801-I1866 HydrophobicContact CD2-CG1 4.46Å; C1852-I1866 HydrophobicContact CB-CG1 4.33Å; V1863-I1866 HydrophobicContact CG1-CG1 4.32Å; I1866-I1869 HydrophobicContact CB-CB 4.29Å; I1866-I1869 HydrophobicContact CB-CG1 4.5Å; I1866-I1869 HydrophobicContact CG2-CB 4.11Å; I1866-I1869 HydrophobicContact CG2-CG1 3.77Å; I1866-I1869 PolarHBondContact O-N 2.68Å; I1866-I1915 HydrophobicContact CG2-CD1 3.75Å
1867R85Confident75.7Confident148 Ų14859.3 Ų59.356%0.55834%0.338SS*.THydrogen-bonded Turntrans-63.6138.4-174.3-170.3177.3-71.1-98.2-2.5110.1D1851 I1869D1851-R1867 PolarHBondContact O-N 3.4Å; R1867-I1869 PolarHBondContact O-N 3.47Å; R1867-I1869 VanDerWaalsContact O-N 3.12Å
1868N86Confident74.9Confident66 Ų6658.4 Ų58.435%0.35334%0.337SS..THydrogen-bonded Turntrans60.912.6-179.7-49.8-38.8000116F1882 A1886 M1887N1868-F1882 WeakPolarHBondContact O-CZ 3.35Å; N1868-A1886 HydrophobicContact CB-CB 4.03Å; N1868-M1887 WeakPolarHBondContact O-CA 3.29Å; N1868-M1887 WeakPolarHBondContact O-CB 3.41Å; N1868-M1887 WeakPolarHBondContact O-CG 3.49Å
1869I87Confident74.4Confident18 Ų1855.7 Ų55.79%0.09232%0.322CS..SBendtrans-120.3136.1175.5-54.7-60.4000109V1791 V1797 I1866 R1867 M1887 A1890 I1915V1791-I1869 HydrophobicContact CG1-CD1 4.23Å; V1791-I1869 HydrophobicContact CG1-CG2 4.03Å; V1791-I1869 HydrophobicContact CG2-CD1 4.17Å; V1791-I1869 HydrophobicContact CG2-CG2 3.72Å; V1797-I1869 HydrophobicContact CG2-CG2 3.52Å; I1866-I1869 HydrophobicContact CB-CB 4.29Å; I1866-I1869 HydrophobicContact CB-CG1 4.5Å; I1866-I1869 HydrophobicContact CG2-CB 4.11Å; I1866-I1869 HydrophobicContact CG2-CG1 3.77Å; I1866-I1869 PolarHBondContact O-N 2.68Å; R1867-I1869 PolarHBondContact O-N 3.47Å; R1867-I1869 VanDerWaalsContact O-N 3.12Å; I1869-M1887 HydrophobicContact CD1-CG 3.84Å; I1869-A1890 HydrophobicContact CD1-CB 4.22Å; I1869-I1915 HydrophobicContact CD1-CG2 4.39Å; I1869-I1915 HydrophobicContact CG1-CD1 4.39Å
1870K82.1Confident73.6Confident27 Ų2760 Ų6012%0.11735%0.352CS..BIsolated β-bridgetrans-78.3144.1176-59.9173.3-179.2162.30110.4M1794 G1795 N1796 V1797 G1872 F1882M1794-K1870 PolarHBondContact O-NZ 3.33Å; G1795-K1870 WeakPolarHBondContact O-CA 3.42Å; G1795-K1870 WeakPolarHBondContact O-CB 3.5Å; G1795-K1870 PolarHBondContact O-N 2.88Å; N1796-K1870 WeakPolarHBondContact OD1-CB 3.24Å; N1796-K1870 WeakPolarHBondContact OD1-CD 3.35Å; V1797-K1870 WeakPolarHBondContact CG2-O 3.42Å; V1797-K1870 PolarHBondContact N-O 3.14Å; K1870-G1872 PolarHBondContact O-N 3.03Å; K1870-F1882 HydrophobicContact CD-CD2 4.39Å; K1870-F1882 HydrophobicContact CD-CE2 4.18Å; K1870-F1882 HydrophobicContact CD-CZ 4.3Å; K1870-F1882 VanDerWaalsContact CE-CG 3.4Å; K1870-F1882 HydrophobicContact CG-CD2 4.09Å; K1870-F1882 HydrophobicContact CG-CE1 4.49Å; K1870-F1882 HydrophobicContact CG-CE2 3.5Å; K1870-F1882 VanDerWaalsContact CG-CE2 3.5Å; K1870-F1882 HydrophobicContact CG-CZ 3.72Å
1871D71.9Confident72.9Confident61 Ų6165.5 Ų65.533%0.32638%0.381SS..  trans-65.8-12.3-171.467.1-9.4000115.6G1800 L1801 Y1802G1800-D1871 CarbonylContact C-O 3.46Å; G1800-D1871 VanDerWaalsContact CA-O 3.3Å; G1800-D1871 WeakPolarHBondContact CA-O 3.46Å; L1801-D1871 PolarHBondContact N-O 2.75Å; Y1802-D1871 HydrophobicContact CE1-CB 3.86Å; Y1802-D1871 WeakPolarHBondContact CE1-OD2 3.46Å; Y1802-D1871 PolarHBondContact OH-OD2 3.05Å
1872G65.4Low72.4Confident17 Ų1767.4 Ų67.418%0.17539%0.389CS..  trans95.515.1170.700000115.7V1797 K1870 A1874V1797-G1872 WeakPolarHBondContact O-CA 3.41Å; K1870-G1872 PolarHBondContact O-N 3.03Å; G1872-A1874 PolarHBondContact O-N 2.93Å
1873V57.6Low71.8Confident88 Ų8869.6 Ų69.653%0.53340%0.403SS..  trans-71.8112.3172.6-172.60000109.4
1874A45Very low71.2Confident103 Ų10369.9 Ų69.985%0.85140%0.404SS*.SBendtrans-45.1131.2-167.700000116.3G1872G1872-A1874 PolarHBondContact O-N 2.93Å
1875G51.2Low70.5Confident74 Ų7473 Ų7376%0.76342%0.419SS*.  trans111.227.2154.400000119
1876T54.2Low69.9Low58 Ų5872.6 Ų72.636%0.35642%0.416SS..  trans-77.7132.5179.857.40000112.5M1794 N1796M1794-T1876 WeakPolarHBondContact CE-O 3.39Å; N1796-T1876 PolarHBondContact ND2-OG1 3.09Å
1877K61.1Low69.6Low185 Ų18572.2 Ų72.280%0.80441%0.414SS*.  trans-71.3170.3165.6-66.5-180179.7178.40110.4D1879K1877-D1879 PolarHBondContact O-N 3.25Å
1878D60.8Low69.1Low92 Ų9268.1 Ų68.149%0.49240%0.399SS..  trans-52.6113.9170.7-173.29.4000109.7Y1884 A2014D1878-Y1884 WeakPolarHBondContact CA-OH 3.26Å; D1878-Y1884 WeakPolarHBondContact OD1-CE2 3.21Å; D1878-Y1884 PolarHBondContact OD1-OH 3.2Å; D1878-A2014 PolarHBondContact OD2-N 3.29Å
1879D68.9Low68.6Low70 Ų7073 Ų7337%0.37442%0.417SS..  trans-98.7108.3179.6-176-6.3000108.9K1877 N1881 F1882 Y1884K1877-D1879 PolarHBondContact O-N 3.25Å; D1879-N1881 PolarHBondContact O-N 2.96Å; D1879-N1881 VanDerWaalsContact O-N 3.1Å; D1879-N1881 WeakPolarHBondContact OD1-CB 3.41Å; D1879-N1881 PolarHBondContact OD1-N 2.95Å; D1879-F1882 HydrophobicContact CB-CB 4.06Å; D1879-F1882 PolarHBondContact O-N 3.46Å; D1879-F1882 VanDerWaalsContact O-N 3.13Å; D1879-Y1884 PolarHBondContact N-OH 3.34Å; D1879-Y1884 VanDerWaalsContact O-CE2 3.3Å; D1879-Y1884 WeakPolarHBondContact O-CE2 3.36Å
1880S65.2Low68.2Low99 Ų9973 Ų7369%0.69242%0.419SS*.THydrogen-bonded Turntrans-63.6-14.6179.6570000114.1
1881N71Confident68.1Low148 Ų14875.7 Ų75.779%0.79144%0.438SS*.THydrogen-bonded Turntrans-95.4-5.1178.9-67.4-7.8000113.2D1879D1879-N1881 PolarHBondContact O-N 2.96Å; D1879-N1881 VanDerWaalsContact O-N 3.1Å; D1879-N1881 WeakPolarHBondContact OD1-CB 3.41Å; D1879-N1881 PolarHBondContact OD1-N 2.95Å
1882F75Confident68.8Low40 Ų4077 Ų7718%0.17545%0.445CS..SBendtrans-87.5133.3178.5-172.5-102.7000111.1N1868 K1870 D1879 Y1884 M1887N1868-F1882 WeakPolarHBondContact O-CZ 3.35Å; K1870-F1882 HydrophobicContact CD-CD2 4.39Å; K1870-F1882 HydrophobicContact CD-CE2 4.18Å; K1870-F1882 HydrophobicContact CD-CZ 4.3Å; K1870-F1882 VanDerWaalsContact CE-CG 3.4Å; K1870-F1882 HydrophobicContact CG-CD2 4.09Å; K1870-F1882 HydrophobicContact CG-CE1 4.49Å; K1870-F1882 HydrophobicContact CG-CE2 3.5Å; K1870-F1882 VanDerWaalsContact CG-CE2 3.5Å; K1870-F1882 HydrophobicContact CG-CZ 3.72Å; D1879-F1882 HydrophobicContact CB-CB 4.06Å; D1879-F1882 PolarHBondContact O-N 3.46Å; D1879-F1882 VanDerWaalsContact O-N 3.13Å; F1882-Y1884 HydrophobicContact CB-CE2 4.27Å; F1882-Y1884 AromaticContact CD1-CD1 3.65Å; F1882-Y1884 HydrophobicContact CD1-CD1 3.65Å; F1882-Y1884 HydrophobicContact CD1-CD2 4.26Å; F1882-Y1884 AromaticContact CD1-CE1 3.71Å; F1882-Y1884 HydrophobicContact CD1-CE1 3.71Å; F1882-Y1884 HydrophobicContact CD1-CE2 4.34Å; F1882-Y1884 AromaticContact CD1-CG 3.96Å; F1882-Y1884 HydrophobicContact CD1-CG 3.96Å; F1882-Y1884 HydrophobicContact CE1-CD1 4.07Å; F1882-Y1884 HydrophobicContact CE1-CE1 4.32Å; F1882-Y1884 VanDerWaalsContact O-CD2 3.24Å; F1882-Y1884 WeakPolarHBondContact O-CD2 3.23Å; F1882-Y1884 PolarHBondContact O-N 3.01Å; F1882-Y1884 VanDerWaalsContact O-N 3.08Å; F1882-M1887 HydrophobicContact CE1-CB 3.83Å; F1882-M1887 HydrophobicContact CE1-CG 4.09Å; F1882-M1887 HydrophobicContact CE1-SD 4.48Å; F1882-M1887 HydrophobicContact CZ-CB 4.18Å; F1882-M1887 HydrophobicContact CZ-CG 4.38Å
1883D74.8Confident69.6Low95 Ų9576.2 Ų76.251%0.50844%0.437SS..  trans-82.385.6179.1-168.5-17.8000111.1D1885 A1886 M1887D1883-D1885 PolarHBondContact O-N 2.9Å; D1883-D1885 PolarHBondContact OD1-N 3.02Å; D1883-A1886 HydrophobicContact CB-CB 4.07Å; D1883-A1886 VanDerWaalsContact CG-CB 3.48Å; D1883-A1886 PolarHBondContact O-N 3.44Å; D1883-A1886 PolarHBondContact OD1-N 3.22Å; D1883-M1887 PolarHBondContact O-N 2.71Å; D1883-M1887 VanDerWaalsContact O-N 3.14Å
1884Y75.5Confident71Confident7 Ų774.3 Ų74.33%0.02742%0.423CS..Hα-helixtrans-65.7-24.4179.8-66.9-80.1000113.8D1878 D1879 F1882 R1888 A2014D1878-Y1884 WeakPolarHBondContact CA-OH 3.26Å; D1878-Y1884 WeakPolarHBondContact OD1-CE2 3.21Å; D1878-Y1884 PolarHBondContact OD1-OH 3.2Å; D1879-Y1884 PolarHBondContact N-OH 3.34Å; D1879-Y1884 VanDerWaalsContact O-CE2 3.3Å; D1879-Y1884 WeakPolarHBondContact O-CE2 3.36Å; F1882-Y1884 HydrophobicContact CB-CE2 4.27Å; F1882-Y1884 AromaticContact CD1-CD1 3.65Å; F1882-Y1884 HydrophobicContact CD1-CD1 3.65Å; F1882-Y1884 HydrophobicContact CD1-CD2 4.26Å; F1882-Y1884 AromaticContact CD1-CE1 3.71Å; F1882-Y1884 HydrophobicContact CD1-CE1 3.71Å; F1882-Y1884 HydrophobicContact CD1-CE2 4.34Å; F1882-Y1884 AromaticContact CD1-CG 3.96Å; F1882-Y1884 HydrophobicContact CD1-CG 3.96Å; F1882-Y1884 HydrophobicContact CE1-CD1 4.07Å; F1882-Y1884 HydrophobicContact CE1-CE1 4.32Å; F1882-Y1884 VanDerWaalsContact O-CD2 3.24Å; F1882-Y1884 WeakPolarHBondContact O-CD2 3.23Å; F1882-Y1884 PolarHBondContact O-N 3.01Å; F1882-Y1884 VanDerWaalsContact O-N 3.08Å; Y1884-R1888 VanDerWaalsContact O-CG 3.26Å; Y1884-R1888 WeakPolarHBondContact O-CG 3.4Å; Y1884-R1888 PolarHBondContact O-N 3.33Å; Y1884-A2014 HydrophobicContact CD1-CB 4.38Å; Y1884-A2014 WeakPolarHBondContact CD2-O 3.24Å; Y1884-A2014 HydrophobicContact CE1-CB 4.25Å
1885D69.5Low72.7Confident95 Ų9569.4 Ų69.451%0.50838%0.382SS..Hα-helixtrans-75.3-40.7179.2-76-19.1000110.5D1883 M1887 R1888 K1889D1883-D1885 PolarHBondContact O-N 2.9Å; D1883-D1885 PolarHBondContact OD1-N 3.02Å; D1885-M1887 VanDerWaalsContact C-N 3.34Å; D1885-R1888 PolarHBondContact O-N 2.94Å; D1885-K1889 WeakPolarHBondContact O-CG 3.16Å; D1885-K1889 PolarHBondContact O-N 3.41Å
1886A74.2Confident74Confident22 Ų2266 Ų6618%0.18235%0.347CS..Hα-helixtrans-64.6-38.3173.100000111.9N1868 D1883 K1889 A1890N1868-A1886 HydrophobicContact CB-CB 4.03Å; D1883-A1886 HydrophobicContact CB-CB 4.07Å; D1883-A1886 VanDerWaalsContact CG-CB 3.48Å; D1883-A1886 PolarHBondContact O-N 3.44Å; D1883-A1886 PolarHBondContact OD1-N 3.22Å; A1886-K1889 PolarHBondContact O-N 3.35Å; A1886-A1890 PolarHBondContact O-N 3.07Å
1887M81.3Confident75.2Confident4 Ų463.3 Ų63.32%0.0233%0.33CS..Hα-helixtrans-58.6-50174.7174.4-126147.300112.2V1791 D1792 G1795 N1868 I1869 F1882 D1883 D1885 K1889 A1890 H1917V1791-M1887 HydrophobicContact CG1-CE 3.81Å; D1792-M1887 VanDerWaalsContact O-CE 3.27Å; D1792-M1887 WeakPolarHBondContact O-CE 3.42Å; G1795-M1887 WeakPolarHBondContact CA-SD 3.29Å; N1868-M1887 WeakPolarHBondContact O-CA 3.29Å; N1868-M1887 WeakPolarHBondContact O-CB 3.41Å; N1868-M1887 WeakPolarHBondContact O-CG 3.49Å; I1869-M1887 HydrophobicContact CD1-CG 3.84Å; F1882-M1887 HydrophobicContact CE1-CB 3.83Å; F1882-M1887 HydrophobicContact CE1-CG 4.09Å; F1882-M1887 HydrophobicContact CE1-SD 4.48Å; F1882-M1887 HydrophobicContact CZ-CB 4.18Å; F1882-M1887 HydrophobicContact CZ-CG 4.38Å; D1883-M1887 PolarHBondContact O-N 2.71Å; D1883-M1887 VanDerWaalsContact O-N 3.14Å; D1885-M1887 VanDerWaalsContact C-N 3.34Å; M1887-K1889 PolarHBondContact O-N 3.32Å; M1887-A1890 WeakPolarHBondContact O-CB 3.18Å; M1887-A1890 PolarHBondContact O-N 3.03Å; M1887-H1917 WeakPolarHBondContact CE-ND1 3.23Å; M1887-H1917 PolarHBondContact O-CE1 3.23Å; M1887-H1917 PolarHBondContact O-NE2 3.3Å; M1887-H1917 VanDerWaalsContact O-NE2 3.12Å
1888R73.4Confident76Confident61 Ų6155 Ų5523%0.2330%0.295CS..Hα-helixtrans-65.6-24.2-176-68.9167.3-162.2-168.48.5113.9Y1884 D1885 L1920Y1884-R1888 VanDerWaalsContact O-CG 3.26Å; Y1884-R1888 WeakPolarHBondContact O-CG 3.4Å; Y1884-R1888 PolarHBondContact O-N 3.33Å; D1885-R1888 PolarHBondContact O-N 2.94Å; R1888-L1920 HydrophobicContact CG-CD2 4.02Å
1889K76.7Confident77Confident170 Ų17050.6 Ų50.674%0.73927%0.272SS*.Hα-helixtrans-83.1-17.6178.4-70.1176.8-177.6175.30113.2D1885 A1886 M1887 T1891D1885-K1889 WeakPolarHBondContact O-CG 3.16Å; D1885-K1889 PolarHBondContact O-N 3.41Å; A1886-K1889 PolarHBondContact O-N 3.35Å; M1887-K1889 PolarHBondContact O-N 3.32Å; K1889-T1891 PolarHBondContact O-N 3.47Å
1890A76.9Confident77.3Confident17 Ų1749.9 Ų49.914%0.1427%0.266CS..  trans-74.9102.4-177.900000111.3I1869 A1886 M1887 I1915 H1917I1869-A1890 HydrophobicContact CD1-CB 4.22Å; A1886-A1890 PolarHBondContact O-N 3.07Å; M1887-A1890 WeakPolarHBondContact O-CB 3.18Å; M1887-A1890 PolarHBondContact O-N 3.03Å; A1890-I1915 HydrophobicContact CB-CD1 4.12Å; A1890-H1917 PolarHBondContact O-NE2 2.97Å
1891T80.9Confident78Confident83 Ų8345.2 Ų45.251%0.50923%0.233SC..  trans-100.3-23.7-176.8510000114.3K1889 I1915K1889-T1891 PolarHBondContact O-N 3.47Å; T1891-I1915 PolarHBondContact O-N 3.18Å
1892D86.4Confident78.3Confident88 Ų8839.6 Ų39.647%0.47120%0.202SC..EExtended strand (participates in β ladder)trans-157.4170.2-17946.860000110.4I1913D1892-I1913 CarbonylContact C-O 3.56Å; D1892-I1913 WeakPolarHBondContact CA-O 3.48Å; D1892-I1913 WeakPolarHBondContact CB-O 3.23Å
1893A83.2Confident77.7Confident2 Ų240 Ų402%0.01722%0.218CC..EExtended strand (participates in β ladder)trans-141.5153.8167.100000107.4E1850 D1851 C1852 I1913E1850-A1893 WeakPolarHBondContact O-CA 3.11Å; E1850-A1893 WeakPolarHBondContact O-CB 3.49Å; D1851-A1893 HydrophobicContact CB-CB 4.07Å; C1852-A1893 HydrophobicContact CB-CB 3.98Å; A1893-I1913 HydrophobicContact CB-CB 4.25Å; A1893-I1913 HydrophobicContact CB-CD1 4.45Å; A1893-I1913 PolarHBondContact N-O 2.95Å; A1893-I1913 WeakPolarHBondContact O-CA 3.29Å; A1893-I1913 WeakPolarHBondContact O-CB 3.42Å; A1893-I1913 PolarHBondContact O-N 2.87Å
1894M85.1Confident77.3Confident47 Ų4740 Ų4023%0.23221%0.213CC..EExtended strand (participates in β ladder)trans-131.8139-175.8-175.3100.498.600110.7S1849 E1850 Q1910 P1912S1849-M1894 CarbonylContact C-O 3.6Å; S1849-M1894 WeakPolarHBondContact CA-O 3.17Å; E1850-M1894 HydrophobicContact CB-CB 4.24Å; E1850-M1894 PolarHBondContact N-O 2.87Å; E1850-M1894 PolarHBondContact O-N 3.31Å; M1894-Q1910 HydrophobicContact CE-CB 4.49Å; M1894-Q1910 HydrophobicContact CE-CG 4.42Å; M1894-Q1910 HydrophobicContact SD-CB 4.03Å; M1894-Q1910 HydrophobicContact SD-CG 4.46Å; M1894-P1912 HydrophobicContact SD-CB 3.94Å
1895V81.6Confident76.8Confident0 Ų040.7 Ų40.70%022%0.219CC..EExtended strand (participates in β ladder)trans-113.3114.6167.2-175.30000109.4A1847 V1848 V1854 I1861 V1863 I1897 Q1910 M1911 I1913A1847-V1895 HydrophobicContact CB-CG1 4.27Å; V1848-V1895 CarbonylContact O-C 3.35Å; V1848-V1895 WeakPolarHBondContact O-CA 3.39Å; V1854-V1895 HydrophobicContact CG1-CG1 4.16Å; V1854-V1895 HydrophobicContact CG1-CG2 3.67Å; I1861-V1895 HydrophobicContact CG2-CG1 4.09Å; V1863-V1895 HydrophobicContact CG2-CG2 4.3Å; V1895-I1897 HydrophobicContact CG1-CG1 4.12Å; V1895-Q1910 CarbonylContact O-C 3.46Å; V1895-M1911 HydrophobicContact CB-CB 4.36Å; V1895-M1911 HydrophobicContact CB-CE 4.19Å; V1895-M1911 HydrophobicContact CG2-CE 3.99Å; V1895-M1911 PolarHBondContact N-O 2.82Å; V1895-M1911 PolarHBondContact O-N 3.45Å; V1895-I1913 HydrophobicContact CG2-CD1 4.24Å
1896T77.6Confident76.9Confident4 Ų436.8 Ų36.83%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-94.9119.3173.7-650000109.3V1605 V1848 V1898 T1908 Q1910V1605-T1896 HydrophobicContact CG1-CG2 4.12Å; V1848-T1896 WeakPolarHBondContact CB-O 3.24Å; V1848-T1896 PolarHBondContact N-O 3.43Å; V1848-T1896 PolarHBondContact O-N 3.2Å; T1896-V1898 HydrophobicContact CG2-CG2 4.49Å; T1896-T1908 HydrophobicContact CG2-CG2 3.28Å; T1896-Q1910 HydrophobicContact CG2-CG 4.41Å
1897I81.3Confident76.8Confident0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-106.1112.8-173.7-53.5174.1000108L1782 T1817 V1819 V1845 H1846 I1861 V1895 V1899 T1908 V1909L1782-I1897 HydrophobicContact CD1-CD1 3.71Å; L1782-I1897 HydrophobicContact CD2-CD1 3.59Å; L1782-I1897 HydrophobicContact CG-CD1 4.32Å; T1817-I1897 HydrophobicContact CG2-CD1 3.82Å; V1819-I1897 HydrophobicContact CG2-CG2 3.97Å; V1845-I1897 HydrophobicContact CG1-CG2 3.9Å; H1846-I1897 CarbonylContact O-C 3.5Å; H1846-I1897 WeakPolarHBondContact O-CA 3.43Å; I1861-I1897 HydrophobicContact CD1-CB 4.26Å; I1861-I1897 HydrophobicContact CD1-CD1 3.37Å; I1861-I1897 HydrophobicContact CD1-CG1 3.52Å; I1861-I1897 HydrophobicContact CD1-CG2 3.79Å; V1895-I1897 HydrophobicContact CG1-CG1 4.12Å; I1897-V1899 HydrophobicContact CG2-CG2 4.16Å; I1897-T1908 CarbonylContact O-C 3.54Å; I1897-T1908 WeakPolarHBondContact O-CA 3.23Å; I1897-V1909 WeakPolarHBondContact CA-O 3.18Å; I1897-V1909 VanDerWaalsContact CB-O 3.31Å; I1897-V1909 WeakPolarHBondContact CB-O 3.21Å; I1897-V1909 PolarHBondContact N-O 3.14Å; I1897-V1909 PolarHBondContact O-N 2.85Å
1898V77.4Confident76.4Confident11 Ų1141 Ų417%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-101.5120.8177.4-174.60000108.6H1846 T1896 T1908H1846-V1898 HydrophobicContact CB-CB 4.33Å; H1846-V1898 PolarHBondContact N-O 2.86Å; H1846-V1898 PolarHBondContact O-N 2.93Å; T1896-V1898 HydrophobicContact CG2-CG2 4.49Å; V1898-T1908 HydrophobicContact CG2-CG2 4.25Å
1899V80.8Confident76.6Confident0 Ų039.4 Ų39.40%021%0.213CC..EExtended strand (participates in β ladder)trans-111.5113.4178.9-176.40000108.9V1780 V1819 V1821 Y1843 R1844 I1897 L1901 S1906 K1907V1780-V1899 HydrophobicContact CG1-CB 4.39Å; V1780-V1899 HydrophobicContact CG1-CG2 3.7Å; V1780-V1899 HydrophobicContact CG2-CB 4.13Å; V1780-V1899 HydrophobicContact CG2-CG1 4.13Å; V1780-V1899 HydrophobicContact CG2-CG2 4.33Å; V1819-V1899 HydrophobicContact CG1-CG2 3.86Å; V1821-V1899 HydrophobicContact CG1-CG1 4.4Å; V1821-V1899 HydrophobicContact CG2-CG1 3.63Å; Y1843-V1899 HydrophobicContact CD2-CG1 4.05Å; Y1843-V1899 HydrophobicContact CG-CG1 4.41Å; R1844-V1899 WeakPolarHBondContact O-CA 3.24Å; I1897-V1899 HydrophobicContact CG2-CG2 4.16Å; V1899-L1901 HydrophobicContact CG1-CD2 3.83Å; V1899-L1901 HydrophobicContact CG1-CG 4.33Å; V1899-S1906 CarbonylContact O-C 3.53Å; V1899-S1906 WeakPolarHBondContact O-CA 3.47Å; V1899-K1907 PolarHBondContact N-O 3.25Å; V1899-K1907 PolarHBondContact O-N 2.93Å
1900E76.7Confident76.8Confident55 Ų5536.4 Ų36.426%0.25720%0.202SC..EExtended strand (participates in β ladder)trans-85.3129.6175.5-162.3172.9-151.200109.4V1838 Y1843 R1844V1838-E1900 HydrophobicContact CG2-CB 4.14Å; V1838-E1900 HydrophobicContact CG2-CG 4.01Å; V1838-E1900 WeakPolarHBondContact CG2-OE2 3.47Å; Y1843-E1900 CarbonylContact C-O 3.59Å; Y1843-E1900 WeakPolarHBondContact CA-O 3.35Å; Y1843-E1900 WeakPolarHBondContact CB-O 3.5Å; R1844-E1900 HydrophobicContact CB-CB 4.42Å; R1844-E1900 PolarHBondContact N-O 3.01Å; R1844-E1900 PolarHBondContact O-N 2.93Å
1901L79.9Confident77.2Confident0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-119.7104.5-165-62.4165.2000110.4Y1778 V1780 V1821 L1828 V1899 G1903 K1904 T1905 K1907Y1778-L1901 HydrophobicContact CD1-CB 4.04Å; Y1778-L1901 HydrophobicContact CD1-CD1 4.11Å; Y1778-L1901 HydrophobicContact CD1-CD2 4.1Å; Y1778-L1901 HydrophobicContact CD1-CG 4.31Å; Y1778-L1901 HydrophobicContact CD2-CD1 4.35Å; Y1778-L1901 HydrophobicContact CE1-CB 4.11Å; Y1778-L1901 HydrophobicContact CG-CB 4.44Å; Y1778-L1901 HydrophobicContact CG-CD1 3.8Å; Y1778-L1901 HydrophobicContact CG-CG 4.49Å; V1780-L1901 HydrophobicContact CG2-CD2 4.44Å; V1821-L1901 HydrophobicContact CG1-CD2 3.21Å; L1828-L1901 HydrophobicContact CD2-CD2 4.31Å; V1899-L1901 HydrophobicContact CG1-CD2 3.83Å; V1899-L1901 HydrophobicContact CG1-CG 4.33Å; L1901-G1903 PolarHBondContact O-N 3.12Å; L1901-K1904 PolarHBondContact O-N 3.23Å; L1901-T1905 HydrophobicContact CB-CG2 4.07Å; L1901-T1905 WeakPolarHBondContact CB-O 3.49Å; L1901-T1905 HydrophobicContact CD1-CG2 3.93Å; L1901-T1905 PolarHBondContact N-O 2.99Å; L1901-T1905 PolarHBondContact O-N 3.27Å; L1901-K1907 HydrophobicContact CD1-CB 4.13Å; L1901-K1907 HydrophobicContact CD1-CD 4.39Å; L1901-K1907 HydrophobicContact CD1-CG 4.01Å
1902E75.2Confident77.5Confident30 Ų3034.1 Ų34.114%0.1419%0.187CC..THydrogen-bonded Turntrans53.121.3177.8-54-170.797.500115Y1778 K1823 L1828 V1838 G1841 H1842 K1904Y1778-E1902 HydrophobicContact CE1-CG 4.22Å; Y1778-E1902 WeakPolarHBondContact CE1-OE2 3.07Å; Y1778-E1902 PolarHBondContact OH-OE2 3.46Å; K1823-E1902 WeakPolarHBondContact CD-OE2 3.49Å; K1823-E1902 IonicContact NZ-OE2 3.85Å; K1823-E1902 PolarHBondContact NZ-OE2 3.48Å; L1828-E1902 HydrophobicContact CD2-CG 3.73Å; V1838-E1902 CarbonylContact O-C 3.5Å; V1838-E1902 VanDerWaalsContact O-C 3.29Å; G1841-E1902 PolarHBondContact N-OE1 3.47Å; H1842-E1902 PolarHBondContact O-N 3.28Å; E1902-K1904 HydrophobicContact CB-CG 4.47Å; E1902-K1904 PolarHBondContact O-N 2.69Å
1903G62.8Low77.6Confident50 Ų5030 Ų3052%0.51517%0.165SC..THydrogen-bonded Turntrans68.59-173.100000114.6V1838 L1901V1838-G1903 PolarHBondContact O-N 3.24Å; L1901-G1903 PolarHBondContact O-N 3.12Å
1904K67.8Low77.8Confident93 Ų9337.8 Ų37.840%0.40419%0.194SC..THydrogen-bonded Turntrans-100-36.4-174.7-69.4-177.3168.5-166.10113.6T1712 E1774 L1901 E1902T1712-K1904 WeakPolarHBondContact CG2-O 3.4Å; E1774-K1904 IonicContact OE1-NZ 2.73Å; E1774-K1904 PolarHBondContact OE1-NZ 3.13Å; E1774-K1904 IonicContact OE2-NZ 3.3Å; L1901-K1904 PolarHBondContact O-N 3.23Å; E1902-K1904 HydrophobicContact CB-CG 4.47Å; E1902-K1904 PolarHBondContact O-N 2.69Å
1905T64Low77.8Confident22 Ų2236 Ų3614%0.13519%0.185CC..EExtended strand (participates in β ladder)trans-159172.2-176.2-164.70000109.7Y1778 L1901Y1778-T1905 HydrophobicContact CD2-CG2 4.13Å; Y1778-T1905 HydrophobicContact CE2-CG2 4.09Å; L1901-T1905 HydrophobicContact CB-CG2 4.07Å; L1901-T1905 WeakPolarHBondContact CB-O 3.49Å; L1901-T1905 HydrophobicContact CD1-CG2 3.93Å; L1901-T1905 PolarHBondContact N-O 2.99Å; L1901-T1905 PolarHBondContact O-N 3.27Å
1906S72.1Confident77.6Confident14 Ų1440.8 Ų40.810%0.09821%0.208CC..EExtended strand (participates in β ladder)trans-131.1148.7173.356.30000110.4F1685 V1899F1685-S1906 WeakPolarHBondContact CB-OG 3.44Å; F1685-S1906 WeakPolarHBondContact CD1-OG 3.29Å; F1685-S1906 WeakPolarHBondContact CG-OG 3.37Å; V1899-S1906 CarbonylContact O-C 3.53Å; V1899-S1906 WeakPolarHBondContact O-CA 3.47Å
1907K72.7Confident77.5Confident73 Ų7343.3 Ų43.332%0.31722%0.219SC..EExtended strand (participates in β ladder)trans-119.6138169.5-88.4-169.2168.9-167.40109.9Y1778 V1780 V1899 L1901Y1778-K1907 WeakPolarHBondContact O-CE 3.31Å; Y1778-K1907 PolarHBondContact O-NZ 3.31Å; V1780-K1907 HydrophobicContact CB-CD 4.47Å; V1780-K1907 HydrophobicContact CG2-CB 3.84Å; V1780-K1907 HydrophobicContact CG2-CD 3.97Å; V1780-K1907 HydrophobicContact CG2-CG 4.5Å; V1899-K1907 PolarHBondContact N-O 3.25Å; V1899-K1907 PolarHBondContact O-N 2.93Å; L1901-K1907 HydrophobicContact CD1-CB 4.13Å; L1901-K1907 HydrophobicContact CD1-CD 4.39Å; L1901-K1907 HydrophobicContact CD1-CG 4.01Å
1908T71.5Confident76.8Confident42 Ų4247.7 Ų47.726%0.25824%0.243SC..EExtended strand (participates in β ladder)trans-113.9135.4177.9-61.30000111.3T1686 T1896 I1897 V1898T1686-T1908 VanDerWaalsContact CG2-CB 3.43Å; T1686-T1908 HydrophobicContact CG2-CG2 3.87Å; T1686-T1908 WeakPolarHBondContact CG2-OG1 3.33Å; T1896-T1908 HydrophobicContact CG2-CG2 3.28Å; I1897-T1908 CarbonylContact O-C 3.54Å; I1897-T1908 WeakPolarHBondContact O-CA 3.23Å; V1898-T1908 HydrophobicContact CG2-CG2 4.25Å
1909V77.4Confident75.9Confident26 Ų2653 Ų5316%0.15828%0.276CS..EExtended strand (participates in β ladder)trans-129.1130.4176.9-167.50000108.7V1780 L1782 Y1785 I1897V1780-V1909 HydrophobicContact CB-CG2 4.29Å; V1780-V1909 HydrophobicContact CG1-CG2 3.81Å; L1782-V1909 HydrophobicContact CD1-CB 4.01Å; L1782-V1909 HydrophobicContact CD1-CG1 3.37Å; L1782-V1909 HydrophobicContact CG-CB 4.36Å; L1782-V1909 HydrophobicContact CG-CG1 3.88Å; Y1785-V1909 HydrophobicContact CD1-CG1 4.07Å; Y1785-V1909 HydrophobicContact CE1-CG1 3.88Å; I1897-V1909 WeakPolarHBondContact CA-O 3.18Å; I1897-V1909 VanDerWaalsContact CB-O 3.31Å; I1897-V1909 WeakPolarHBondContact CB-O 3.21Å; I1897-V1909 PolarHBondContact N-O 3.14Å; I1897-V1909 PolarHBondContact O-N 2.85Å
1910Q82.4Confident74.7Confident108 Ų10857.7 Ų57.751%0.50530%0.3SS..EExtended strand (participates in β ladder)trans-98.2137.2179.3-69.3179.2-24.300110.9M1894 V1895 T1896M1894-Q1910 HydrophobicContact CE-CB 4.49Å; M1894-Q1910 HydrophobicContact CE-CG 4.42Å; M1894-Q1910 HydrophobicContact SD-CB 4.03Å; M1894-Q1910 HydrophobicContact SD-CG 4.46Å; V1895-Q1910 CarbonylContact O-C 3.46Å; T1896-Q1910 HydrophobicContact CG2-CG 4.41Å
1911M85.4Confident73.8Confident0 Ų055.6 Ų55.60%029%0.291CS..EExtended strand (participates in β ladder)trans-119.593.2173.1-175.7-175.179.400109.7Y1785 I1815 T1817 V1863 V1895Y1785-M1911 WeakPolarHBondContact O-CA 3.48Å; I1815-M1911 HydrophobicContact CG2-CE 4.08Å; T1817-M1911 HydrophobicContact CG2-CE 4.31Å; T1817-M1911 HydrophobicContact CG2-SD 3.53Å; T1817-M1911 VanDerWaalsContact CG2-SD 3.53Å; V1863-M1911 HydrophobicContact CG2-CE 4.27Å; V1895-M1911 HydrophobicContact CB-CB 4.36Å; V1895-M1911 HydrophobicContact CB-CE 4.19Å; V1895-M1911 HydrophobicContact CG2-CE 3.99Å; V1895-M1911 PolarHBondContact N-O 2.82Å; V1895-M1911 PolarHBondContact O-N 3.45Å
1912P87.4Confident72.8Confident52 Ų5261.9 Ų61.934%0.33832%0.319SS..EExtended strand (participates in β ladder)trans-72.1145.5175.626.8-35.1000113Y1785 Q1786 S1787 M1894Y1785-P1912 WeakPolarHBondContact O-CD 3.5Å; Q1786-P1912 CarbonylContact C-O 3.54Å; Q1786-P1912 VanDerWaalsContact CA-O 3.24Å; Q1786-P1912 WeakPolarHBondContact CA-O 3.19Å; Q1786-P1912 HydrophobicContact CB-CG 4.08Å; S1787-P1912 PolarHBondContact N-O 2.82Å; M1894-P1912 HydrophobicContact SD-CB 3.94Å
1913I88.5Confident72.6Confident1 Ų161 Ų611%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-122.6111.1176.1-53.2168.2000107.9S1787 I1815 V1863 D1892 A1893 V1895S1787-I1913 CarbonylContact O-C 3.45Å; S1787-I1913 VanDerWaalsContact O-CA 3.3Å; S1787-I1913 WeakPolarHBondContact O-CA 3.46Å; I1815-I1913 HydrophobicContact CD1-CD1 4.47Å; I1815-I1913 HydrophobicContact CD1-CG2 3.94Å; I1815-I1913 HydrophobicContact CG2-CD1 4.3Å; V1863-I1913 HydrophobicContact CG1-CD1 4.22Å; V1863-I1913 HydrophobicContact CG2-CD1 3.68Å; D1892-I1913 CarbonylContact C-O 3.56Å; D1892-I1913 WeakPolarHBondContact CA-O 3.48Å; D1892-I1913 WeakPolarHBondContact CB-O 3.23Å; A1893-I1913 HydrophobicContact CB-CB 4.25Å; A1893-I1913 HydrophobicContact CB-CD1 4.45Å; A1893-I1913 PolarHBondContact N-O 2.95Å; A1893-I1913 WeakPolarHBondContact O-CA 3.29Å; A1893-I1913 WeakPolarHBondContact O-CB 3.42Å; A1893-I1913 PolarHBondContact O-N 2.87Å; V1895-I1913 HydrophobicContact CG2-CD1 4.24Å
1914R85.4Confident73.3Confident165 Ų16561.7 Ų61.762%0.62331%0.309SS*.EExtended strand (participates in β ladder)trans-88.2135.3-179.6-168.9-179.6-96.6-168.9-8.2111.3S1787 V1788 I1789S1787-R1914 PolarHBondContact O-N 3.25Å; V1788-R1914 CarbonylContact C-O 3.57Å; V1788-R1914 WeakPolarHBondContact CA-O 3.5Å; V1788-R1914 HydrophobicContact CG1-CB 4.39Å; V1788-R1914 HydrophobicContact CG2-CB 4.18Å; I1789-R1914 PolarHBondContact N-O 3.39Å
1915I86.5Confident74.2Confident9 Ų957.5 Ų57.55%0.04629%0.291CS..EExtended strand (participates in β ladder)trans-106.8119.7177.8-52.9172.6000109.2I1789 V1791 I1866 I1869 A1890 T1891I1789-I1915 HydrophobicContact CD1-CG1 4.11Å; I1789-I1915 HydrophobicContact CD1-CG2 4.26Å; I1789-I1915 HydrophobicContact CG1-CB 4.45Å; I1789-I1915 HydrophobicContact CG1-CG1 4.08Å; I1789-I1915 HydrophobicContact CG1-CG2 4.45Å; V1791-I1915 HydrophobicContact CG2-CG2 3.65Å; I1866-I1915 HydrophobicContact CG2-CD1 3.75Å; I1869-I1915 HydrophobicContact CD1-CG2 4.39Å; I1869-I1915 HydrophobicContact CG1-CD1 4.39Å; A1890-I1915 HydrophobicContact CB-CD1 4.12Å; T1891-I1915 PolarHBondContact O-N 3.18Å
1916Q77.9Confident75.3Confident102 Ų10260.3 Ų60.348%0.47731%0.305SS..EExtended strand (participates in β ladder)trans-105.9112.6174.5-78.3-177.6-35.600110.4I1789 T1790 V1791I1789-Q1916 PolarHBondContact O-N 3.07Å; T1790-Q1916 CarbonylContact C-O 3.53Å; T1790-Q1916 WeakPolarHBondContact CA-O 3.33Å; T1790-Q1916 HydrophobicContact CG2-CB 4.28Å; T1790-Q1916 WeakPolarHBondContact CG2-O 3.48Å; V1791-Q1916 PolarHBondContact N-O 2.86Å
1917H75.4Confident76.1Confident56 Ų5660 Ų6026%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-79.5134.7169.9-63.8-72.1000110.5V1791 M1887 A1890V1791-H1917 CarbonylContact O-C 3.48Å; M1887-H1917 WeakPolarHBondContact CE-ND1 3.23Å; M1887-H1917 PolarHBondContact O-CE1 3.23Å; M1887-H1917 PolarHBondContact O-NE2 3.3Å; M1887-H1917 VanDerWaalsContact O-NE2 3.12Å; A1890-H1917 PolarHBondContact O-NE2 2.97Å
1918D66Low76.8Confident92 Ų9260.3 Ų60.349%0.49231%0.314SS..PPolyproline II helixtrans-63.5152.8164.9-155.8-4.2000109.6V1791 L1920V1791-D1918 PolarHBondContact O-N 2.73Å; D1918-L1920 PolarHBondContact O-N 2.86Å
1919T58.5Low77.5Confident124 Ų12461 Ų6176%0.76132%0.316SS*.PPolyproline II helixtrans-60.8133-168.837.10000113.3
1920L55.3Low77.9Confident98 Ų9864.2 Ų64.251%0.51333%0.329SS..PPolyproline II helixtrans-57.7137.6179.1-79.3164.2000112.8R1888 D1918 F1922R1888-L1920 HydrophobicContact CG-CD2 4.02Å; D1918-L1920 PolarHBondContact O-N 2.86Å; L1920-F1922 PolarHBondContact O-N 3.13Å
1921P57.1Low78.1Confident10 Ų1062.3 Ų62.37%0.06533%0.328CS..PPolyproline II helixtrans-66.8120.8170.617.1-20.8000111.3D1793 Y1956 Y2013 Y2018D1793-P1921 HydrophobicContact CB-CG 4.48Å; P1921-Y1956 HydrophobicContact CB-CD2 4.26Å; P1921-Y1956 HydrophobicContact CB-CE2 3.23Å; P1921-Y1956 WeakPolarHBondContact CB-OH 3.17Å; P1921-Y1956 HydrophobicContact CG-CE2 4.45Å; P1921-Y2013 HydrophobicContact CB-CD1 4.44Å; P1921-Y2013 HydrophobicContact CB-CE1 4Å; P1921-Y2013 HydrophobicContact CG-CD1 3.81Å; P1921-Y2013 HydrophobicContact CG-CE1 3.2Å; P1921-Y2018 PolarHBondContact O-OH 3.39Å; P1921-Y2018 VanDerWaalsContact O-OH 3.05Å
1922F59.3Low78.2Confident133 Ų13363 Ų6358%0.58333%0.334SS*.PPolyproline II helixtrans-91.1128.9174.962.3-87.8000110.7L1920 V1924L1920-F1922 PolarHBondContact O-N 3.13Å; F1922-V1924 HydrophobicContact CD2-CG2 3.97Å; F1922-V1924 HydrophobicContact CE2-CG2 4.34Å
1923M71.9Confident78.1Confident10 Ų1064.4 Ų64.45%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-99.5148.8167.9-163.5138.161.400108.5L1954 L1955 W1961 Y2018 Y2020M1923-L1954 HydrophobicContact CG-CD2 4.47Å; M1923-L1955 CarbonylContact C-O 3.44Å; M1923-L1955 WeakPolarHBondContact CA-O 3.38Å; M1923-L1955 WeakPolarHBondContact CG-O 3.4Å; M1923-W1961 HydrophobicContact SD-CB 3.91Å; M1923-W1961 HydrophobicContact SD-CD2 4.26Å; M1923-W1961 HydrophobicContact SD-CG 3.61Å; M1923-Y2018 HydrophobicContact CB-CD1 3.93Å; M1923-Y2018 HydrophobicContact CB-CE1 4.38Å; M1923-Y2018 HydrophobicContact CB-CG 4.11Å; M1923-Y2018 HydrophobicContact CE-CD2 3.55Å; M1923-Y2018 HydrophobicContact CE-CE2 4.37Å; M1923-Y2018 HydrophobicContact CE-CG 3.65Å; M1923-Y2020 PolarHBondContact O-OH 3.29Å
1924V77.5Confident78Confident66 Ų6664.5 Ų64.540%0.435%0.345SS..EExtended strand (participates in β ladder)trans-122.7132.9-177.9-178.30000109F1922 L1954 L1955F1922-V1924 HydrophobicContact CD2-CG2 3.97Å; F1922-V1924 HydrophobicContact CE2-CG2 4.34Å; V1924-L1954 CarbonylContact O-C 3.55Å; V1924-L1954 VanDerWaalsContact O-CA 3.27Å; V1924-L1954 WeakPolarHBondContact O-CA 3.44Å; V1924-L1955 HydrophobicContact CB-CB 4.39Å; V1924-L1955 PolarHBondContact N-O 3.07Å; V1924-L1955 PolarHBondContact O-N 3.47Å
1925C85.9Confident77.7Confident4 Ų457.4 Ų57.43%0.02732%0.322CS..EExtended strand (participates in β ladder)trans-110.1129.5172.2-176.70000110.7S1953 L1954 Y2020 R2022C1925-S1953 WeakPolarHBondContact CA-O 3.48Å; C1925-L1954 HydrophobicContact CB-CD2 3.68Å; C1925-Y2020 HydrophobicContact CB-CD1 3.71Å; C1925-Y2020 HydrophobicContact CB-CD2 3.45Å; C1925-Y2020 VanDerWaalsContact CB-CD2 3.45Å; C1925-Y2020 HydrophobicContact CB-CE1 4.3Å; C1925-Y2020 HydrophobicContact CB-CE2 4.07Å; C1925-Y2020 HydrophobicContact CB-CG 3.25Å; C1925-R2022 PolarHBondContact O-NH2 3.19Å
1926D86.3Confident77.5Confident82 Ų8258 Ų5844%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-127.5139.7-176.3-174.951.6000111.4V1952 S1953D1926-V1952 WeakPolarHBondContact O-CA 3.22Å; D1926-S1953 PolarHBondContact N-O 2.77Å; D1926-S1953 PolarHBondContact O-N 3.28Å
1927L89.5Confident77.5Confident6 Ų653.1 Ų53.13%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-113.7129.5172-84.5172.2000108.7N1929 E1930 T1950 K1951 V1952 I2007 R2022L1927-N1929 PolarHBondContact O-N 2.7Å; L1927-E1930 HydrophobicContact CB-CG 3.61Å; L1927-E1930 HydrophobicContact CD1-CG 3.66Å; L1927-E1930 HydrophobicContact CG-CG 4.31Å; L1927-T1950 HydrophobicContact CD2-CG2 4.08Å; L1927-K1951 CarbonylContact C-O 3.53Å; L1927-K1951 VanDerWaalsContact CA-O 3.29Å; L1927-K1951 WeakPolarHBondContact CA-O 3.38Å; L1927-V1952 HydrophobicContact CD2-CB 4.42Å; L1927-V1952 HydrophobicContact CD2-CG2 3.5Å; L1927-V1952 VanDerWaalsContact CD2-CG2 3.5Å; L1927-I2007 HydrophobicContact CD1-CD1 4.26Å; L1927-I2007 HydrophobicContact CD2-CD1 3.86Å; L1927-R2022 HydrophobicContact CD1-CB 3.29Å; L1927-R2022 HydrophobicContact CD1-CG 3.9Å; L1927-R2022 HydrophobicContact CG-CB 4.12Å; L1927-R2022 HydrophobicContact CG-CG 4.29Å
1928S88.2Confident77.3Confident80 Ų8054.5 Ų54.556%0.55931%0.313SS*.SBendtrans-69.1-18178.273.90000113.9K1951S1928-K1951 PolarHBondContact N-O 3Å; S1928-K1951 PolarHBondContact OG-N 3.28Å
1929N85.2Confident77.5Confident58 Ų5856.2 Ų56.231%0.3132%0.316SS..  trans-154.6123174.5-171.711000111.1L1927 S1931 T1950L1927-N1929 PolarHBondContact O-N 2.7Å; N1929-S1931 PolarHBondContact OD1-N 3.3Å; N1929-S1931 PolarHBondContact OD1-O 2.96Å; N1929-T1950 PolarHBondContact N-OG1 2.76Å; N1929-T1950 VanDerWaalsContact O-CB 3.29Å; N1929-T1950 WeakPolarHBondContact O-CB 3.49Å; N1929-T1950 PolarHBondContact O-OG1 3.2Å
1930E87.5Confident78.2Confident93 Ų9353.9 Ų53.944%0.43530%0.302SS..SBendtrans-110.9-10-177.5-64.3140.6152.300112.7L1927 L2024 T2025L1927-E1930 HydrophobicContact CB-CG 3.61Å; L1927-E1930 HydrophobicContact CD1-CG 3.66Å; L1927-E1930 HydrophobicContact CG-CG 4.31Å; E1930-L2024 WeakPolarHBondContact O-CA 3.46Å; E1930-T2025 PolarHBondContact O-N 3.48Å
1931S85.4Confident79.2Confident67 Ų6752 Ų5247%0.46930%0.297SS..EExtended strand (participates in β ladder)trans-141.9132-179.3-173.70000111.8N1929 T2025N1929-S1931 PolarHBondContact OD1-N 3.3Å; N1929-S1931 PolarHBondContact OD1-O 2.96Å; S1931-T2025 CarbonylContact C-O 3.54Å; S1931-T2025 WeakPolarHBondContact CA-O 3.37Å
1932A87.3Confident80.4Confident15 Ų1558.1 Ų58.112%0.12432%0.323CS..EExtended strand (participates in β ladder)trans-135.5162.2174.900000110.1I1948 T2025 I2026 L2027A1932-I1948 HydrophobicContact CB-CB 4.42Å; A1932-I1948 HydrophobicContact CB-CD1 3.54Å; A1932-I1948 HydrophobicContact CB-CG1 3.78Å; A1932-I1948 HydrophobicContact CB-CG2 3.73Å; A1932-T2025 PolarHBondContact N-O 2.79Å; A1932-I2026 CarbonylContact O-C 3.48Å; A1932-I2026 VanDerWaalsContact O-CA 3.27Å; A1932-I2026 WeakPolarHBondContact O-CA 3.01Å; A1932-L2027 PolarHBondContact O-N 3.07Å
1933S84.7Confident81.5Confident82 Ų8252.8 Ų52.857%0.57330%0.299SS*.EExtended strand (participates in β ladder)trans-128.3142.9177.157.10000110.6L2027S1933-L2027 CarbonylContact C-O 3.41Å; S1933-L2027 VanDerWaalsContact CA-O 3.26Å; S1933-L2027 WeakPolarHBondContact CA-O 3.39Å
1934V87Confident81.9Confident3 Ų355.8 Ų55.82%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-126145.5171.8-62.80000110.1Y1943 I1944 L1946 I1948 L1999 I2026 L2027 K2028 S2029V1934-Y1943 HydrophobicContact CB-CD1 4.33Å; V1934-Y1943 HydrophobicContact CG2-CD1 4.19Å; V1934-I1944 VanDerWaalsContact CA-O 3.23Å; V1934-I1944 WeakPolarHBondContact CA-O 3.49Å; V1934-L1946 HydrophobicContact CG1-CD2 4.15Å; V1934-L1946 HydrophobicContact CG1-CG 4.05Å; V1934-I1948 HydrophobicContact CG1-CD1 4.22Å; V1934-L1999 HydrophobicContact CG2-CD1 4.36Å; V1934-I2026 HydrophobicContact CB-CG2 4.47Å; V1934-I2026 HydrophobicContact CG1-CG2 4Å; V1934-I2026 HydrophobicContact CG2-CG2 3.77Å; V1934-L2027 PolarHBondContact N-O 2.9Å; V1934-K2028 HydrophobicContact CG2-CB 4.25Å; V1934-K2028 HydrophobicContact CG2-CG 4.43Å; V1934-K2028 VanDerWaalsContact O-CA 3.28Å; V1934-K2028 WeakPolarHBondContact O-CA 3.39Å; V1934-S2029 PolarHBondContact O-N 3Å
1935A78.3Confident82.1Confident16 Ų1654.7 Ų54.713%0.13232%0.316CS..EExtended strand (participates in β ladder)trans-123.8134.5176.900000109.8Y1943 I1944 S2029A1935-Y1943 WeakPolarHBondContact O-CA 3.29Å; A1935-I1944 PolarHBondContact N-O 2.88Å; A1935-I1944 PolarHBondContact O-N 2.88Å; A1935-S2029 WeakPolarHBondContact CB-OG 3.48Å
1936W82.7Confident82.2Confident21 Ų2156 Ų568%0.0832%0.323CS..EExtended strand (participates in β ladder)trans-74.9130.2172.1-177.7-113.3000110S1941 Y1943 T1995 D1997 S2029 D2031W1936-S1941 WeakPolarHBondContact CH2-O 3.34Å; W1936-Y1943 HydrophobicContact CB-CD1 4.3Å; W1936-Y1943 HydrophobicContact CB-CE1 3.95Å; W1936-Y1943 HydrophobicContact CD2-CE1 4.41Å; W1936-Y1943 AromaticContact CE3-CD1 3.89Å; W1936-Y1943 HydrophobicContact CE3-CD1 3.89Å; W1936-Y1943 AromaticContact CE3-CD2 3.81Å; W1936-Y1943 HydrophobicContact CE3-CD2 3.81Å; W1936-Y1943 AromaticContact CE3-CE1 3.7Å; W1936-Y1943 HydrophobicContact CE3-CE1 3.7Å; W1936-Y1943 AromaticContact CE3-CE2 3.64Å; W1936-Y1943 HydrophobicContact CE3-CE2 3.64Å; W1936-Y1943 AromaticContact CE3-CG 3.94Å; W1936-Y1943 HydrophobicContact CE3-CG 3.94Å; W1936-Y1943 AromaticContact CE3-CZ 3.6Å; W1936-Y1943 AromaticContact CZ3-CD2 3.86Å; W1936-Y1943 HydrophobicContact CZ3-CD2 3.86Å; W1936-Y1943 AromaticContact CZ3-CE2 3.72Å; W1936-Y1943 HydrophobicContact CZ3-CE2 3.72Å; W1936-Y1943 HydrophobicContact CZ3-CG 4.38Å; W1936-T1995 WeakPolarHBondContact CH2-O 3.46Å; W1936-D1997 HydrophobicContact CB-CB 4.46Å; W1936-D1997 HydrophobicContact CD2-CB 3.69Å; W1936-D1997 HydrophobicContact CE3-CB 4.24Å; W1936-D1997 HydrophobicContact CG-CB 3.77Å; W1936-D1997 HydrophobicContact CZ2-CB 4.33Å; W1936-S2029 PolarHBondContact N-O 2.73Å; W1936-D2031 WeakPolarHBondContact O-CB 3.38Å
1937N78.1Confident82.3Confident0 Ų055.3 Ų55.30%032%0.323CS..EExtended strand (participates in β ladder)trans-106.3106172.6-178.2-70.5000109.3K1939 T1940 S1941 K1942 I1944 D2067N1937-K1939 PolarHBondContact O-N 3.21Å; N1937-K1939 VanDerWaalsContact O-N 3.12Å; N1937-K1939 PolarHBondContact OD1-N 2.97Å; N1937-T1940 WeakPolarHBondContact CB-OG1 3.44Å; N1937-T1940 VanDerWaalsContact CG-OG1 3.27Å; N1937-T1940 PolarHBondContact O-N 3.43Å; N1937-T1940 PolarHBondContact OD1-N 3.08Å; N1937-T1940 PolarHBondContact OD1-OG1 2.78Å; N1937-S1941 PolarHBondContact O-N 3.43Å; N1937-K1942 PolarHBondContact N-O 3.01Å; N1937-I1944 HydrophobicContact CB-CD1 4.01Å; N1937-I1944 HydrophobicContact CB-CG1 4.21Å; N1937-D2067 WeakPolarHBondContact ND2-CB 3.46Å; N1937-D2067 PolarHBondContact ND2-OD2 3.05Å
1938T70.8Confident82.4Confident85 Ų8555.5 Ų55.552%0.52132%0.324SS..THydrogen-bonded Turntrans-63.4-24.2-172.9-34.90000112.5D2031T1938-D2031 VanDerWaalsContact CB-OD2 3.27Å; T1938-D2031 WeakPolarHBondContact CB-OD2 3.4Å; T1938-D2031 PolarHBondContact N-OD2 3.46Å; T1938-D2031 WeakPolarHBondContact OG1-CB 3.28Å; T1938-D2031 VanDerWaalsContact OG1-CG 3.28Å; T1938-D2031 PolarHBondContact OG1-OD2 2.75Å
1939K70.1Confident82.5Confident128 Ų12858 Ų5856%0.55733%0.325SS*.THydrogen-bonded Turntrans-84.8-34-176.7-167.6173.1-176.7174.30113.8N1937 Y2071N1937-K1939 PolarHBondContact O-N 3.21Å; N1937-K1939 VanDerWaalsContact O-N 3.12Å; N1937-K1939 PolarHBondContact OD1-N 2.97Å; K1939-Y2071 HydrophobicContact CD-CD2 4.32Å; K1939-Y2071 HydrophobicContact CD-CE1 4.39Å; K1939-Y2071 HydrophobicContact CD-CE2 4.17Å
1940T74.9Confident82.9Confident74 Ų7455.4 Ų55.445%0.45431%0.311SS..THydrogen-bonded Turntrans-98.6-7.8179.359.20000113.4N1937 K1942N1937-T1940 WeakPolarHBondContact CB-OG1 3.44Å; N1937-T1940 VanDerWaalsContact CG-OG1 3.27Å; N1937-T1940 PolarHBondContact O-N 3.43Å; N1937-T1940 PolarHBondContact OD1-N 3.08Å; N1937-T1940 PolarHBondContact OD1-OG1 2.78Å; T1940-K1942 VanDerWaalsContact C-N 3.28Å; T1940-K1942 PolarHBondContact O-N 2.79Å
1941S74.8Confident83.1Confident58 Ų5853.7 Ų53.741%0.40630%0.302SS..THydrogen-bonded Turntrans53.143.6-175.4-58.30000112.5W1936 N1937W1936-S1941 WeakPolarHBondContact CH2-O 3.34Å; N1937-S1941 PolarHBondContact O-N 3.43Å
1942K82.1Confident83.5Confident140 Ų14050.5 Ų50.561%0.60928%0.28SS*.EExtended strand (participates in β ladder)trans-142.7151.9-177.8-70.2-178-177.3-173.90111.5N1937 T1940N1937-K1942 PolarHBondContact N-O 3.01Å; T1940-K1942 VanDerWaalsContact C-N 3.28Å; T1940-K1942 PolarHBondContact O-N 2.79Å
1943Y84.1Confident83.6Confident20 Ų2051 Ų518%0.07828%0.282CS..EExtended strand (participates in β ladder)trans-81.4128169.3-72-75.8000111.6V1934 A1935 W1936 L1994 D1997 T1998 L1999 K2028V1934-Y1943 HydrophobicContact CB-CD1 4.33Å; V1934-Y1943 HydrophobicContact CG2-CD1 4.19Å; A1935-Y1943 WeakPolarHBondContact O-CA 3.29Å; W1936-Y1943 HydrophobicContact CB-CD1 4.3Å; W1936-Y1943 HydrophobicContact CB-CE1 3.95Å; W1936-Y1943 HydrophobicContact CD2-CE1 4.41Å; W1936-Y1943 AromaticContact CE3-CD1 3.89Å; W1936-Y1943 HydrophobicContact CE3-CD1 3.89Å; W1936-Y1943 AromaticContact CE3-CD2 3.81Å; W1936-Y1943 HydrophobicContact CE3-CD2 3.81Å; W1936-Y1943 AromaticContact CE3-CE1 3.7Å; W1936-Y1943 HydrophobicContact CE3-CE1 3.7Å; W1936-Y1943 AromaticContact CE3-CE2 3.64Å; W1936-Y1943 HydrophobicContact CE3-CE2 3.64Å; W1936-Y1943 AromaticContact CE3-CG 3.94Å; W1936-Y1943 HydrophobicContact CE3-CG 3.94Å; W1936-Y1943 AromaticContact CE3-CZ 3.6Å; W1936-Y1943 AromaticContact CZ3-CD2 3.86Å; W1936-Y1943 HydrophobicContact CZ3-CD2 3.86Å; W1936-Y1943 AromaticContact CZ3-CE2 3.72Å; W1936-Y1943 HydrophobicContact CZ3-CE2 3.72Å; W1936-Y1943 HydrophobicContact CZ3-CG 4.38Å; Y1943-L1994 HydrophobicContact CD2-CB 4.34Å; Y1943-L1994 HydrophobicContact CD2-CD1 3.87Å; Y1943-L1994 HydrophobicContact CE2-CB 4.31Å; Y1943-L1994 HydrophobicContact CE2-CD1 3.83Å; Y1943-L1994 HydrophobicContact CE2-CG 4.47Å; Y1943-D1997 VanDerWaalsContact OH-CA 3.27Å; Y1943-D1997 WeakPolarHBondContact OH-CA 3.26Å; Y1943-D1997 PolarHBondContact OH-OD1 3.49Å; Y1943-T1998 PolarHBondContact OH-N 3.38Å; Y1943-T1998 VanDerWaalsContact OH-N 3.11Å; Y1943-L1999 HydrophobicContact CD1-CD1 4.22Å; Y1943-L1999 HydrophobicContact CD2-CD1 3.87Å; Y1943-L1999 HydrophobicContact CE1-CB 4.34Å; Y1943-L1999 HydrophobicContact CE1-CD1 4.01Å; Y1943-L1999 HydrophobicContact CE2-CB 4.43Å; Y1943-L1999 HydrophobicContact CE2-CD1 3.61Å; Y1943-L1999 HydrophobicContact CE2-CG 4.04Å; Y1943-L1999 HydrophobicContact CG-CD1 4.15Å; Y1943-L1999 WeakPolarHBondContact OH-CB 3.42Å; Y1943-L1999 PolarHBondContact OH-N 3.47Å; Y1943-K2028 HydrophobicContact CE1-CD 3.93Å; Y1943-K2028 HydrophobicContact CE1-CG 4.17Å
1944I80.5Confident83.8Confident73 Ų7347.2 Ų47.237%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-85.6134.8169.6-57.4178.9000108.2V1934 A1935 N1937 D2067V1934-I1944 VanDerWaalsContact CA-O 3.23Å; V1934-I1944 WeakPolarHBondContact CA-O 3.49Å; A1935-I1944 PolarHBondContact N-O 2.88Å; A1935-I1944 PolarHBondContact O-N 2.88Å; N1937-I1944 HydrophobicContact CB-CD1 4.01Å; N1937-I1944 HydrophobicContact CB-CG1 4.21Å; I1944-D2067 HydrophobicContact CD1-CB 3.63Å
1945G81.3Confident83.4Confident43 Ų4349.6 Ų49.644%0.44327%0.268SS..THydrogen-bonded Turntrans114.4-11.8178.900000114.9
1946L87.7Confident83.3Confident33 Ų3350.3 Ų50.317%0.17327%0.267CS..PPolyproline II helixtrans-89.1146.5172.4-65.4172.4000111.5V1934 I1948 L1974 A1991V1934-L1946 HydrophobicContact CG1-CD2 4.15Å; V1934-L1946 HydrophobicContact CG1-CG 4.05Å; L1946-I1948 HydrophobicContact CD2-CD1 3.91Å; L1946-I1948 HydrophobicContact CD2-CG1 4.17Å; L1946-L1974 HydrophobicContact CD1-CD2 4.19Å; L1946-L1974 HydrophobicContact CD2-CD2 4.42Å; L1946-A1991 HydrophobicContact CD1-CB 3.77Å
1947P87.7Confident82.6Confident67 Ų6754.9 Ų54.944%0.43529%0.289SS..SBendcis-82.6147.8-2.330.8-33.7000114.1T1988 I1989 D1990P1947-T1988 HydrophobicContact CB-CG2 3.95Å; P1947-I1989 CarbonylContact C-O 3.57Å; P1947-I1989 WeakPolarHBondContact CA-O 3.45Å; P1947-I1989 WeakPolarHBondContact CB-O 3.26Å; P1947-D1990 HydrophobicContact CB-CB 3.99Å
1948I91.4Very high82.2Confident10 Ų1061.7 Ų61.75%0.05133%0.326CS..EExtended strand (participates in β ladder)trans-92.9139.7175.3-62.8156.9000109.5A1932 V1934 L1946 T1988 I1989 I2026A1932-I1948 HydrophobicContact CB-CB 4.42Å; A1932-I1948 HydrophobicContact CB-CD1 3.54Å; A1932-I1948 HydrophobicContact CB-CG1 3.78Å; A1932-I1948 HydrophobicContact CB-CG2 3.73Å; V1934-I1948 HydrophobicContact CG1-CD1 4.22Å; L1946-I1948 HydrophobicContact CD2-CD1 3.91Å; L1946-I1948 HydrophobicContact CD2-CG1 4.17Å; I1948-T1988 CarbonylContact O-C 3.53Å; I1948-T1988 VanDerWaalsContact O-CA 3.31Å; I1948-T1988 WeakPolarHBondContact O-CA 3.35Å; I1948-I1989 HydrophobicContact CB-CB 4.31Å; I1948-I1989 HydrophobicContact CG2-CD1 4.43Å; I1948-I1989 PolarHBondContact N-O 3.2Å; I1948-I1989 PolarHBondContact O-N 3.32Å; I1948-I2026 HydrophobicContact CD1-CD1 3.89Å; I1948-I2026 HydrophobicContact CD1-CG1 3.99Å; I1948-I2026 HydrophobicContact CD1-CG2 4.25Å
1949K91.7Very high82.4Confident133 Ų13363.7 Ų63.758%0.57833%0.329SS*.EExtended strand (participates in β ladder)trans-126.5139.4177.2-65.5-174.1177.3-179.90112.3I1987 T1988K1949-I1987 CarbonylContact C-O 3.59Å; K1949-I1987 WeakPolarHBondContact CA-O 3.41Å; K1949-T1988 HydrophobicContact CG-CG2 4Å
1950T93.4Very high83Confident2 Ų260.6 Ų60.61%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-144.6143.6173.4-168.80000112.2L1927 N1929 V1986 I1987 I2007 L2024L1927-T1950 HydrophobicContact CD2-CG2 4.08Å; N1929-T1950 PolarHBondContact N-OG1 2.76Å; N1929-T1950 VanDerWaalsContact O-CB 3.29Å; N1929-T1950 WeakPolarHBondContact O-CB 3.49Å; N1929-T1950 PolarHBondContact O-OG1 3.2Å; T1950-V1986 CarbonylContact O-C 3.4Å; T1950-V1986 WeakPolarHBondContact O-CA 3.44Å; T1950-I1987 HydrophobicContact CG2-CB 4.01Å; T1950-I1987 HydrophobicContact CG2-CD1 4.45Å; T1950-I1987 PolarHBondContact N-O 3.13Å; T1950-I1987 PolarHBondContact O-N 2.8Å; T1950-I2007 HydrophobicContact CG2-CD1 4.23Å; T1950-L2024 HydrophobicContact CG2-CD1 3.7Å
1951K92.1Very high83.5Confident58 Ų5860.9 Ų60.925%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-109128.9-179.8178.8178.6178.2173.80110.4L1927 S1928 E1981 A1984 K1985 V1986L1927-K1951 CarbonylContact C-O 3.53Å; L1927-K1951 VanDerWaalsContact CA-O 3.29Å; L1927-K1951 WeakPolarHBondContact CA-O 3.38Å; S1928-K1951 PolarHBondContact N-O 3Å; S1928-K1951 PolarHBondContact OG-N 3.28Å; K1951-E1981 VanDerWaalsContact NZ-CD 3.29Å; K1951-E1981 IonicContact NZ-OE1 3.73Å; K1951-E1981 PolarHBondContact NZ-OE1 3.37Å; K1951-E1981 IonicContact NZ-OE2 2.76Å; K1951-A1984 HydrophobicContact CD-CB 4.38Å; K1951-A1984 VanDerWaalsContact CE-CB 3.43Å; K1951-A1984 HydrophobicContact CG-CB 4.07Å; K1951-K1985 CarbonylContact C-O 3.46Å; K1951-K1985 WeakPolarHBondContact CA-O 3.4Å; K1951-V1986 HydrophobicContact CB-CG2 4.11Å; K1951-V1986 HydrophobicContact CD-CG2 4.47Å; K1951-V1986 HydrophobicContact CG-CG2 4.06Å
1952V93Very high84Confident0 Ų060.7 Ų60.70%032%0.317CS..EExtended strand (participates in β ladder)trans-103.5124.4179.8-177.60000109.9D1926 L1927 I1963 L1966 A1984 K1985 I1987 I2007 V2009D1926-V1952 WeakPolarHBondContact O-CA 3.22Å; L1927-V1952 HydrophobicContact CD2-CB 4.42Å; L1927-V1952 HydrophobicContact CD2-CG2 3.5Å; L1927-V1952 VanDerWaalsContact CD2-CG2 3.5Å; V1952-I1963 HydrophobicContact CB-CD1 4.27Å; V1952-I1963 HydrophobicContact CG1-CD1 3.8Å; V1952-I1963 WeakPolarHBondContact O-CD1 3.48Å; V1952-L1966 HydrophobicContact CB-CD1 4.28Å; V1952-L1966 HydrophobicContact CG1-CD1 4.3Å; V1952-L1966 HydrophobicContact CG2-CD1 4.13Å; V1952-A1984 CarbonylContact O-C 3.56Å; V1952-A1984 VanDerWaalsContact O-CA 3.26Å; V1952-A1984 WeakPolarHBondContact O-CA 3.49Å; V1952-A1984 WeakPolarHBondContact O-CB 3.24Å; V1952-K1985 PolarHBondContact N-O 3.1Å; V1952-K1985 PolarHBondContact O-N 3.08Å; V1952-I1987 HydrophobicContact CG2-CD1 3.76Å; V1952-I1987 HydrophobicContact CG2-CG1 4.45Å; V1952-I2007 HydrophobicContact CG2-CG2 4.04Å; V1952-V2009 HydrophobicContact CG1-CB 4.35Å; V1952-V2009 HydrophobicContact CG1-CG1 3.99Å; V1952-V2009 HydrophobicContact CG1-CG2 3.44Å; V1952-V2009 VanDerWaalsContact CG1-CG2 3.44Å
1953S90Very high84.4Confident26 Ų2655 Ų5518%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-133.4143.7-179.7-50.30000112.4C1925 D1926 A1984C1925-S1953 WeakPolarHBondContact CA-O 3.48Å; D1926-S1953 PolarHBondContact N-O 2.77Å; D1926-S1953 PolarHBondContact O-N 3.28Å; S1953-A1984 WeakPolarHBondContact OG-CB 3.35Å
1954L88.5Confident84.4Confident2 Ų257.7 Ų57.71%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-109.2143.8167.5-70.8173.3000110.5M1923 V1924 C1925 P1960 W1961 I1963 V2009 Y2020M1923-L1954 HydrophobicContact CG-CD2 4.47Å; V1924-L1954 CarbonylContact O-C 3.55Å; V1924-L1954 VanDerWaalsContact O-CA 3.27Å; V1924-L1954 WeakPolarHBondContact O-CA 3.44Å; C1925-L1954 HydrophobicContact CB-CD2 3.68Å; L1954-P1960 CarbonylContact O-C 3.54Å; L1954-P1960 WeakPolarHBondContact O-CA 3.46Å; L1954-W1961 HydrophobicContact CB-CB 3.98Å; L1954-W1961 PolarHBondContact O-N 3.31Å; L1954-I1963 HydrophobicContact CD1-CB 4.47Å; L1954-I1963 HydrophobicContact CD1-CG1 3.86Å; L1954-I1963 HydrophobicContact CG-CG1 4Å; L1954-V2009 HydrophobicContact CD1-CG1 4.18Å; L1954-V2009 HydrophobicContact CD2-CG1 4.44Å; L1954-V2009 HydrophobicContact CG-CG1 4.22Å; L1954-Y2020 HydrophobicContact CD2-CD2 3.74Å; L1954-Y2020 HydrophobicContact CD2-CE2 3.75Å
1955L79.2Confident84.9Confident53 Ų5357 Ų5728%0.27732%0.316SS..EExtended strand (participates in β ladder)trans-133.9132179.4-67.5135.1000111M1923 V1924 E1959M1923-L1955 CarbonylContact C-O 3.44Å; M1923-L1955 WeakPolarHBondContact CA-O 3.38Å; M1923-L1955 WeakPolarHBondContact CG-O 3.4Å; V1924-L1955 HydrophobicContact CB-CB 4.39Å; V1924-L1955 PolarHBondContact N-O 3.07Å; V1924-L1955 PolarHBondContact O-N 3.47Å; L1955-E1959 WeakPolarHBondContact CA-O 3.26Å
1956Y74.5Confident85.2Confident30 Ų3056 Ų5612%0.11830%0.301CS..EExtended strand (participates in β ladder)trans-126.9124.4172.2174.5-125.5000109.3P1921 N1958 E1959 W1961 Y2013P1921-Y1956 HydrophobicContact CB-CD2 4.26Å; P1921-Y1956 HydrophobicContact CB-CE2 3.23Å; P1921-Y1956 WeakPolarHBondContact CB-OH 3.17Å; P1921-Y1956 HydrophobicContact CG-CE2 4.45Å; Y1956-N1958 PolarHBondContact O-N 3.35Å; Y1956-E1959 PolarHBondContact N-O 3.4Å; Y1956-E1959 WeakPolarHBondContact O-CB 3.23Å; Y1956-E1959 PolarHBondContact O-N 3.36Å; Y1956-W1961 AromaticContact CD1-CE3 3.98Å; Y1956-W1961 HydrophobicContact CD1-CE3 3.98Å; Y1956-W1961 HydrophobicContact CD1-CH2 4.2Å; Y1956-W1961 AromaticContact CD1-CZ3 3.7Å; Y1956-W1961 HydrophobicContact CD1-CZ3 3.7Å; Y1956-W1961 HydrophobicContact CG-CE3 4.41Å; Y1956-Y2013 HydrophobicContact CE1-CD2 4.11Å; Y1956-Y2013 AromaticContact CE1-CE2 3.75Å; Y1956-Y2013 HydrophobicContact CE1-CE2 3.75Å; Y1956-Y2013 AromaticContact CZ-CE2 3.88Å; Y1956-Y2013 AromaticContact CZ-CZ 3.98Å; Y1956-Y2013 PolarHBondContact OH-OH 2.6Å
1957H69Low85.4Confident118 Ų11860.3 Ų60.355%0.54632%0.324SS..THydrogen-bonded Turntrans47.542-168.5-69.7-64.5000114.1E1959H1957-E1959 PolarHBondContact O-N 3.43Å; H1957-E1959 VanDerWaalsContact O-N 3.13Å
1958N70.2Confident85.5Confident142 Ų14258.3 Ų58.376%0.75931%0.309SS*.THydrogen-bonded Turntrans61.79.2-174.8-59.1-35.1000115.3Y1956Y1956-N1958 PolarHBondContact O-N 3.35Å
1959E74.5Confident85.4Confident128 Ų12859.9 Ų59.960%0.59832%0.321SS*.EExtended strand (participates in β ladder)trans-97.6133.5171.9-75.7-64.6151.500110.3L1955 Y1956 H1957 W1961L1955-E1959 WeakPolarHBondContact CA-O 3.26Å; Y1956-E1959 PolarHBondContact N-O 3.4Å; Y1956-E1959 WeakPolarHBondContact O-CB 3.23Å; Y1956-E1959 PolarHBondContact O-N 3.36Å; H1957-E1959 PolarHBondContact O-N 3.43Å; H1957-E1959 VanDerWaalsContact O-N 3.13Å; E1959-W1961 PolarHBondContact O-N 3.06Å
1960P82.8Confident85.1Confident63 Ų6363.5 Ų63.541%0.40934%0.337SS..EExtended strand (participates in β ladder)trans-56.3130.7177.2-2634.7000111.7L1954 K1983L1954-P1960 CarbonylContact O-C 3.54Å; L1954-P1960 WeakPolarHBondContact O-CA 3.46Å; P1960-K1983 HydrophobicContact CB-CB 4.35Å; P1960-K1983 HydrophobicContact CB-CD 4.14Å; P1960-K1983 WeakPolarHBondContact O-CD 3.37Å; P1960-K1983 WeakPolarHBondContact O-CE 3.41Å; P1960-K1983 PolarHBondContact O-NZ 3.42Å
1961W84.9Confident84.8Confident79 Ų7965.3 Ų65.330%0.29935%0.348SS..EExtended strand (participates in β ladder)trans-109.7148.3179.3-155.5-102.7000111.5M1923 L1954 Y1956 E1959 R2012 Y2013M1923-W1961 HydrophobicContact SD-CB 3.91Å; M1923-W1961 HydrophobicContact SD-CD2 4.26Å; M1923-W1961 HydrophobicContact SD-CG 3.61Å; L1954-W1961 HydrophobicContact CB-CB 3.98Å; L1954-W1961 PolarHBondContact O-N 3.31Å; Y1956-W1961 AromaticContact CD1-CE3 3.98Å; Y1956-W1961 HydrophobicContact CD1-CE3 3.98Å; Y1956-W1961 HydrophobicContact CD1-CH2 4.2Å; Y1956-W1961 AromaticContact CD1-CZ3 3.7Å; Y1956-W1961 HydrophobicContact CD1-CZ3 3.7Å; Y1956-W1961 HydrophobicContact CG-CE3 4.41Å; E1959-W1961 PolarHBondContact O-N 3.06Å; W1961-R2012 PolarHBondContact NE1-O 3.31Å; W1961-Y2013 HydrophobicContact CZ2-CD2 4.41Å
1962A85.3Confident84.3Confident54 Ų5467 Ų6745%0.44637%0.373SS..  trans-77.9129-177.100000111S1964A1962-S1964 PolarHBondContact O-N 2.79Å
1963I89.9Confident83.9Confident20 Ų2068 Ų6810%0.10338%0.383CS..  trans-71.3118.9173.6-64.6169.7000109.4V1952 L1954 S1965 L1966 K1985 V2009V1952-I1963 HydrophobicContact CB-CD1 4.27Å; V1952-I1963 HydrophobicContact CG1-CD1 3.8Å; V1952-I1963 WeakPolarHBondContact O-CD1 3.48Å; L1954-I1963 HydrophobicContact CD1-CB 4.47Å; L1954-I1963 HydrophobicContact CD1-CG1 3.86Å; L1954-I1963 HydrophobicContact CG-CG1 4Å; I1963-S1965 WeakPolarHBondContact CG2-O 3.46Å; I1963-L1966 HydrophobicContact CG2-CB 4.19Å; I1963-K1985 HydrophobicContact CD1-CB 4.4Å; I1963-K1985 HydrophobicContact CD1-CG 4.27Å; I1963-K1985 HydrophobicContact CG2-CD 4.44Å; I1963-V2009 HydrophobicContact CB-CG1 4.33Å; I1963-V2009 HydrophobicContact CD1-CG1 4.01Å; I1963-V2009 HydrophobicContact CG1-CG1 3.84Å; I1963-V2009 HydrophobicContact CG2-CG1 3.62Å
1964S85.4Confident84Confident77 Ų7767.6 Ų67.654%0.53838%0.379SS..SBendtrans-79.2-40.5-179-55.50000112A1962 V2010A1962-S1964 PolarHBondContact O-N 2.79Å; S1964-V2010 WeakPolarHBondContact CA-O 3.47Å; S1964-V2010 VanDerWaalsContact CB-O 3.3Å; S1964-V2010 WeakPolarHBondContact CB-O 3.48Å; S1964-V2010 PolarHBondContact N-O 3Å
1965S89.6Confident84.2Confident59 Ų5971.4 Ų71.441%0.41340%0.399SS..EExtended strand (participates in β ladder)trans-146.5153.2172.568.90000111.3I1963 V2010I1963-S1965 WeakPolarHBondContact CG2-O 3.46Å; S1965-V2010 PolarHBondContact N-O 3.28Å; S1965-V2010 PolarHBondContact O-N 2.83Å; S1965-V2010 WeakPolarHBondContact OG-CB 3.44Å; S1965-V2010 WeakPolarHBondContact OG-CG2 3.47Å
1966L88.6Confident84.8Confident23 Ų2372.2 Ų72.212%0.1241%0.406CS..EExtended strand (participates in β ladder)trans-144.6129.2176.9-176.5160.1000109.4V1952 I1963 I1968 M1978 K1985 I1987 I2007 T2008V1952-L1966 HydrophobicContact CB-CD1 4.28Å; V1952-L1966 HydrophobicContact CG1-CD1 4.3Å; V1952-L1966 HydrophobicContact CG2-CD1 4.13Å; I1963-L1966 HydrophobicContact CG2-CB 4.19Å; L1966-I1968 HydrophobicContact CD2-CD1 3.94Å; L1966-I1968 HydrophobicContact CD2-CG1 3.59Å; L1966-M1978 HydrophobicContact CD1-SD 4.34Å; L1966-M1978 HydrophobicContact CD2-CE 4.36Å; L1966-M1978 HydrophobicContact CD2-SD 3.49Å; L1966-M1978 WeakPolarHBondContact CD2-SD 3.43Å; L1966-M1978 HydrophobicContact CG-SD 4.45Å; L1966-K1985 HydrophobicContact CB-CD 4.18Å; L1966-K1985 HydrophobicContact CD1-CB 3.94Å; L1966-K1985 HydrophobicContact CD1-CD 3.74Å; L1966-K1985 HydrophobicContact CD1-CG 4.44Å; L1966-I1987 HydrophobicContact CD1-CD1 4.44Å; L1966-I1987 HydrophobicContact CD2-CD1 4.41Å; L1966-I2007 HydrophobicContact CG-CG2 4.46Å; L1966-T2008 CarbonylContact C-O 3.59Å; L1966-T2008 VanDerWaalsContact CA-O 3.29Å; L1966-T2008 WeakPolarHBondContact CA-O 3.39Å
1967N90.7Very high85.5Confident122 Ų12274.2 Ų74.265%0.65242%0.424SS*.EExtended strand (participates in β ladder)trans-130.9146178-143.9-17.9000111.3I2007 T2008N1967-I2007 WeakPolarHBondContact O-CA 3.37Å; N1967-T2008 PolarHBondContact N-O 2.82Å; N1967-T2008 PolarHBondContact O-N 3.49Å
1968I90.9Very high86.3Confident25 Ų2573.7 Ų73.713%0.12842%0.423CS..EExtended strand (participates in β ladder)trans-131.9129.3-175.5-47.7169.5000109.1L1966 T1976 M1978 I1987 M2005 N2006 I2007L1966-I1968 HydrophobicContact CD2-CD1 3.94Å; L1966-I1968 HydrophobicContact CD2-CG1 3.59Å; I1968-T1976 HydrophobicContact CG2-CG2 4.39Å; I1968-M1978 HydrophobicContact CD1-CG 4.29Å; I1968-M1978 HydrophobicContact CD1-SD 4.27Å; I1968-I1987 HydrophobicContact CD1-CB 4.44Å; I1968-I1987 HydrophobicContact CD1-CD1 3.69Å; I1968-I1987 HydrophobicContact CD1-CG1 3.81Å; I1968-I1987 HydrophobicContact CD1-CG2 3.76Å; I1968-I1987 HydrophobicContact CG1-CD1 4.11Å; I1968-M2005 HydrophobicContact CG2-CE 3.59Å; I1968-N2006 WeakPolarHBondContact CA-O 3.42Å; I1968-I2007 HydrophobicContact CG2-CG1 4.5Å
1969S88.3Confident87.1Confident44 Ų4470 Ų7031%0.30841%0.408SS..  trans-67.1138.1176.760.20000112.5M2005 N2006S1969-M2005 VanDerWaalsContact OG-CA 3.27Å; S1969-M2005 WeakPolarHBondContact OG-CA 3.47Å; S1969-N2006 PolarHBondContact N-O 2.89Å; S1969-N2006 PolarHBondContact OG-N 2.89Å
1970K86.2Confident87.6Confident209 Ų20970.2 Ų70.291%0.90941%0.412SS*.  trans-80.3142.5178.4-65.5-176179.8-179.10111.9
1971V86.7Confident87.5Confident39 Ų3972.1 Ų72.124%0.23642%0.416CS..  trans-131132.5172.8179.80000108.7G1973 L1974 T2003 M2005V1971-G1973 PolarHBondContact O-N 3.15Å; V1971-L1974 HydrophobicContact CB-CD1 4.36Å; V1971-L1974 HydrophobicContact CG1-CD1 4.24Å; V1971-L1974 PolarHBondContact O-N 2.82Å; V1971-T2003 HydrophobicContact CB-CG2 4.35Å; V1971-T2003 HydrophobicContact CG1-CG2 3.69Å; V1971-T2003 HydrophobicContact CG2-CG2 3.95Å; V1971-M2005 HydrophobicContact CG2-CG 3.76Å; V1971-M2005 HydrophobicContact CG2-SD 4.35Å
1972A82.3Confident87.6Confident94 Ų9471.9 Ų71.978%0.77744%0.437SS*.THydrogen-bonded Turntrans-61.3134.117900000111.6L1974A1972-L1974 VanDerWaalsContact C-N 3.34Å
1973G84.8Confident87.7Confident21 Ų2174.7 Ų74.722%0.21644%0.439CS..THydrogen-bonded Turntrans84.8-5.6-178.600000115.6V1971 D1992 L1994V1971-G1973 PolarHBondContact O-N 3.15Å; G1973-D1992 PolarHBondContact O-N 2.79Å; G1973-L1994 VanDerWaalsContact O-CD1 3.22Å; G1973-L1994 WeakPolarHBondContact O-CD1 3.47Å; G1973-L1994 WeakPolarHBondContact O-CG 3.48Å
1974L92.2Very high87.7Confident18 Ų1874 Ų749%0.09444%0.437CS..EExtended strand (participates in β ladder)trans-117.1138.6175.4-62.1177.2000111.2L1946 V1971 A1972 I1989 D1990 L1994 L1999 T2003 I2026L1946-L1974 HydrophobicContact CD1-CD2 4.19Å; L1946-L1974 HydrophobicContact CD2-CD2 4.42Å; V1971-L1974 HydrophobicContact CB-CD1 4.36Å; V1971-L1974 HydrophobicContact CG1-CD1 4.24Å; V1971-L1974 PolarHBondContact O-N 2.82Å; A1972-L1974 VanDerWaalsContact C-N 3.34Å; L1974-I1989 HydrophobicContact CB-CG2 4.22Å; L1974-I1989 HydrophobicContact CD1-CG2 4.12Å; L1974-I1989 HydrophobicContact CD2-CG2 4.41Å; L1974-I1989 HydrophobicContact CG-CG2 4.49Å; L1974-D1990 WeakPolarHBondContact CA-O 3.33Å; L1974-L1994 HydrophobicContact CD2-CD1 4.38Å; L1974-L1999 HydrophobicContact CD1-CD2 4Å; L1974-L1999 HydrophobicContact CD2-CD1 4.31Å; L1974-L1999 HydrophobicContact CD2-CD2 4.28Å; L1974-L1999 HydrophobicContact CG-CD2 3.97Å; L1974-T2003 HydrophobicContact CD1-CG2 4.37Å; L1974-I2026 HydrophobicContact CD1-CD1 3.91Å
1975I91.7Very high88Confident82 Ų8272.7 Ų72.742%0.42142%0.422SS..EExtended strand (participates in β ladder)trans-110144.9172.248.9163.1000110.9I1989 D1990 D1992I1975-I1989 WeakPolarHBondContact O-CA 3.32Å; I1975-D1990 HydrophobicContact CD1-CB 4.42Å; I1975-D1990 HydrophobicContact CG1-CB 4.16Å; I1975-D1990 WeakPolarHBondContact CG1-O 3.48Å; I1975-D1990 PolarHBondContact N-O 3.36Å; I1975-D1990 PolarHBondContact O-N 3.36Å; I1975-D1992 HydrophobicContact CB-CB 4.4Å; I1975-D1992 HydrophobicContact CG1-CB 4.31Å; I1975-D1992 HydrophobicContact CG2-CB 3.58Å
1976T91.7Very high88.1Confident70 Ų7070.9 Ų70.943%0.42941%0.408SS..EExtended strand (participates in β ladder)trans-117.1140.8176.958.30000111.4I1968 T1988 I1989 M2005I1968-T1976 HydrophobicContact CG2-CG2 4.39Å; T1976-T1988 CarbonylContact C-O 3.5Å; T1976-T1988 VanDerWaalsContact CA-O 3.31Å; T1976-T1988 WeakPolarHBondContact CA-O 3.48Å; T1976-I1989 HydrophobicContact CG2-CG1 4.16Å; T1976-M2005 HydrophobicContact CG2-CE 3.54Å
1977S88.9Confident88.2Confident71 Ų7169.9 Ų69.950%0.49740%0.402SS..EExtended strand (participates in β ladder)trans-133.3152.9171.559.50000110.6I1987 T1988S1977-I1987 WeakPolarHBondContact O-CA 3.39Å; S1977-T1988 PolarHBondContact N-O 2.92Å; S1977-T1988 PolarHBondContact O-N 3.13Å
1978M87Confident88.4Confident108 Ų10865.1 Ų65.153%0.53238%0.378SS..EExtended strand (participates in β ladder)trans-124.5144.6-177.7-80.2-172.4-74.400112.5L1966 I1968 V1986 I1987L1966-M1978 HydrophobicContact CD1-SD 4.34Å; L1966-M1978 HydrophobicContact CD2-CE 4.36Å; L1966-M1978 HydrophobicContact CD2-SD 3.49Å; L1966-M1978 WeakPolarHBondContact CD2-SD 3.43Å; L1966-M1978 HydrophobicContact CG-SD 4.45Å; I1968-M1978 HydrophobicContact CD1-CG 4.29Å; I1968-M1978 HydrophobicContact CD1-SD 4.27Å; M1978-V1986 CarbonylContact C-O 3.3Å; M1978-V1986 VanDerWaalsContact CA-O 3.25Å; M1978-V1986 WeakPolarHBondContact CA-O 3.37Å; M1978-I1987 HydrophobicContact CG-CG1 4.14Å
1979S86.7Confident88.5Confident63 Ų6364.1 Ų64.144%0.44137%0.373SS..EExtended strand (participates in β ladder)trans-131.8158.4166.3640000111.2K1985 V1986S1979-K1985 CarbonylContact O-C 3.58Å; S1979-K1985 WeakPolarHBondContact O-CA 3.47Å; S1979-V1986 PolarHBondContact N-O 2.95Å; S1979-V1986 PolarHBondContact O-N 3.08Å
1980I84.4Confident88.7Confident134 Ų13465 Ų6569%0.68737%0.374SS*.EExtended strand (participates in β ladder)trans-104.2134.2-178.8-59.6172.6000108.9
1981E81.5Confident88.7Confident103 Ų10356.8 Ų56.848%0.48135%0.345SS..EExtended strand (participates in β ladder)trans-13293.7177.3-163.8-165.7135.400109.8K1951 K1983 A1984 V1986K1951-E1981 VanDerWaalsContact NZ-CD 3.29Å; K1951-E1981 IonicContact NZ-OE1 3.73Å; K1951-E1981 PolarHBondContact NZ-OE1 3.37Å; K1951-E1981 IonicContact NZ-OE2 2.76Å; E1981-K1983 PolarHBondContact O-N 2.65Å; E1981-A1984 PolarHBondContact N-O 2.62Å; E1981-A1984 WeakPolarHBondContact O-CB 3.24Å; E1981-A1984 PolarHBondContact O-N 2.83Å; E1981-A1984 VanDerWaalsContact O-N 3.14Å; E1981-V1986 HydrophobicContact CB-CG2 4.19Å
1982G86.6Confident88.8Confident73 Ų7358.8 Ų58.875%0.75335%0.354SS*.THydrogen-bonded Turntrans67.2-122.8-172.100000111.4
1983K88.2Confident88.8Confident113 Ų11361.2 Ų61.249%0.49136%0.355SS..THydrogen-bonded Turntrans-92-3.7173.7-65.9-175.8-173.9177.30113.5P1960 E1981P1960-K1983 HydrophobicContact CB-CB 4.35Å; P1960-K1983 HydrophobicContact CB-CD 4.14Å; P1960-K1983 WeakPolarHBondContact O-CD 3.37Å; P1960-K1983 WeakPolarHBondContact O-CE 3.41Å; P1960-K1983 PolarHBondContact O-NZ 3.42Å; E1981-K1983 PolarHBondContact O-N 2.65Å
1984A89Confident88.5Confident6 Ų661.3 Ų61.35%0.0535%0.35CS..EExtended strand (participates in β ladder)trans-96.1163.7178.400000111.7K1951 V1952 S1953 E1981K1951-A1984 HydrophobicContact CD-CB 4.38Å; K1951-A1984 VanDerWaalsContact CE-CB 3.43Å; K1951-A1984 HydrophobicContact CG-CB 4.07Å; V1952-A1984 CarbonylContact O-C 3.56Å; V1952-A1984 VanDerWaalsContact O-CA 3.26Å; V1952-A1984 WeakPolarHBondContact O-CA 3.49Å; V1952-A1984 WeakPolarHBondContact O-CB 3.24Å; S1953-A1984 WeakPolarHBondContact OG-CB 3.35Å; E1981-A1984 PolarHBondContact N-O 2.62Å; E1981-A1984 WeakPolarHBondContact O-CB 3.24Å; E1981-A1984 PolarHBondContact O-N 2.83Å; E1981-A1984 VanDerWaalsContact O-N 3.14Å
1985K91.4Very high87.9Confident50 Ų5064.8 Ų64.822%0.21737%0.372CS..EExtended strand (participates in β ladder)trans-123.4137.5175.9-68.3-177.5177.1-179.80110.6K1951 V1952 I1963 L1966 S1979K1951-K1985 CarbonylContact C-O 3.46Å; K1951-K1985 WeakPolarHBondContact CA-O 3.4Å; V1952-K1985 PolarHBondContact N-O 3.1Å; V1952-K1985 PolarHBondContact O-N 3.08Å; I1963-K1985 HydrophobicContact CD1-CB 4.4Å; I1963-K1985 HydrophobicContact CD1-CG 4.27Å; I1963-K1985 HydrophobicContact CG2-CD 4.44Å; L1966-K1985 HydrophobicContact CB-CD 4.18Å; L1966-K1985 HydrophobicContact CD1-CB 3.94Å; L1966-K1985 HydrophobicContact CD1-CD 3.74Å; L1966-K1985 HydrophobicContact CD1-CG 4.44Å; S1979-K1985 CarbonylContact O-C 3.58Å; S1979-K1985 WeakPolarHBondContact O-CA 3.47Å
1986V91.4Very high87.2Confident20 Ų2066 Ų6612%0.12138%0.379CS..EExtended strand (participates in β ladder)trans-107128.3178.1-177.70000109.5T1950 K1951 M1978 S1979 E1981T1950-V1986 CarbonylContact O-C 3.4Å; T1950-V1986 WeakPolarHBondContact O-CA 3.44Å; K1951-V1986 HydrophobicContact CB-CG2 4.11Å; K1951-V1986 HydrophobicContact CD-CG2 4.47Å; K1951-V1986 HydrophobicContact CG-CG2 4.06Å; M1978-V1986 CarbonylContact C-O 3.3Å; M1978-V1986 VanDerWaalsContact CA-O 3.25Å; M1978-V1986 WeakPolarHBondContact CA-O 3.37Å; S1979-V1986 PolarHBondContact N-O 2.95Å; S1979-V1986 PolarHBondContact O-N 3.08Å; E1981-V1986 HydrophobicContact CB-CG2 4.19Å
1987I92.5Very high86.8Confident2 Ų265.7 Ų65.71%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-104.9131.6178.5-59.3167.1000108.5K1949 T1950 V1952 L1966 I1968 S1977 M1978 I1989 I2007K1949-I1987 CarbonylContact C-O 3.59Å; K1949-I1987 WeakPolarHBondContact CA-O 3.41Å; T1950-I1987 HydrophobicContact CG2-CB 4.01Å; T1950-I1987 HydrophobicContact CG2-CD1 4.45Å; T1950-I1987 PolarHBondContact N-O 3.13Å; T1950-I1987 PolarHBondContact O-N 2.8Å; V1952-I1987 HydrophobicContact CG2-CD1 3.76Å; V1952-I1987 HydrophobicContact CG2-CG1 4.45Å; L1966-I1987 HydrophobicContact CD1-CD1 4.44Å; L1966-I1987 HydrophobicContact CD2-CD1 4.41Å; I1968-I1987 HydrophobicContact CD1-CB 4.44Å; I1968-I1987 HydrophobicContact CD1-CD1 3.69Å; I1968-I1987 HydrophobicContact CD1-CG1 3.81Å; I1968-I1987 HydrophobicContact CD1-CG2 3.76Å; I1968-I1987 HydrophobicContact CG1-CD1 4.11Å; S1977-I1987 WeakPolarHBondContact O-CA 3.39Å; M1978-I1987 HydrophobicContact CG-CG1 4.14Å; I1987-I1989 HydrophobicContact CG2-CG1 4.3Å; I1987-I2007 HydrophobicContact CD1-CD1 3.75Å; I1987-I2007 HydrophobicContact CD1-CG1 4.01Å; I1987-I2007 HydrophobicContact CD1-CG2 3.81Å
1988T93.4Very high86.6Confident23 Ų2367 Ų6714%0.14138%0.38CS..EExtended strand (participates in β ladder)trans-118.2129.3173.2-55.50000109.7P1947 I1948 K1949 T1976 S1977P1947-T1988 HydrophobicContact CB-CG2 3.95Å; I1948-T1988 CarbonylContact O-C 3.53Å; I1948-T1988 VanDerWaalsContact O-CA 3.31Å; I1948-T1988 WeakPolarHBondContact O-CA 3.35Å; K1949-T1988 HydrophobicContact CG-CG2 4Å; T1976-T1988 CarbonylContact C-O 3.5Å; T1976-T1988 VanDerWaalsContact CA-O 3.31Å; T1976-T1988 WeakPolarHBondContact CA-O 3.48Å; S1977-T1988 PolarHBondContact N-O 2.92Å; S1977-T1988 PolarHBondContact O-N 3.13Å
1989I93.4Very high86.5Confident3 Ų362.4 Ų62.42%0.01536%0.358CS..EExtended strand (participates in β ladder)trans-114.7122.3-179.2-54.1160.5000108.2P1947 I1948 L1974 I1975 T1976 I1987 M2005 L2024 I2026P1947-I1989 CarbonylContact C-O 3.57Å; P1947-I1989 WeakPolarHBondContact CA-O 3.45Å; P1947-I1989 WeakPolarHBondContact CB-O 3.26Å; I1948-I1989 HydrophobicContact CB-CB 4.31Å; I1948-I1989 HydrophobicContact CG2-CD1 4.43Å; I1948-I1989 PolarHBondContact N-O 3.2Å; I1948-I1989 PolarHBondContact O-N 3.32Å; L1974-I1989 HydrophobicContact CB-CG2 4.22Å; L1974-I1989 HydrophobicContact CD1-CG2 4.12Å; L1974-I1989 HydrophobicContact CD2-CG2 4.41Å; L1974-I1989 HydrophobicContact CG-CG2 4.49Å; I1975-I1989 WeakPolarHBondContact O-CA 3.32Å; T1976-I1989 HydrophobicContact CG2-CG1 4.16Å; I1987-I1989 HydrophobicContact CG2-CG1 4.3Å; I1989-M2005 HydrophobicContact CD1-CE 4.1Å; I1989-M2005 HydrophobicContact CD1-SD 3.85Å; I1989-M2005 HydrophobicContact CG1-CE 4.2Å; I1989-M2005 HydrophobicContact CG1-SD 4.35Å; I1989-M2005 HydrophobicContact CG2-SD 4.32Å; I1989-L2024 HydrophobicContact CD1-CD1 3.95Å; I1989-L2024 HydrophobicContact CD1-CD2 3.57Å; I1989-L2024 HydrophobicContact CD1-CG 4.42Å; I1989-I2026 HydrophobicContact CD1-CD1 4.45Å; I1989-I2026 HydrophobicContact CG2-CD1 4.33Å
1990D92.2Very high86.3Confident64 Ų6462.2 Ų62.234%0.34236%0.36SS..EExtended strand (participates in β ladder)trans-133.2168.5-178.3-150.2-13.8000111.4P1947 L1974 I1975P1947-D1990 HydrophobicContact CB-CB 3.99Å; L1974-D1990 WeakPolarHBondContact CA-O 3.33Å; I1975-D1990 HydrophobicContact CD1-CB 4.42Å; I1975-D1990 HydrophobicContact CG1-CB 4.16Å; I1975-D1990 WeakPolarHBondContact CG1-O 3.48Å; I1975-D1990 PolarHBondContact N-O 3.36Å; I1975-D1990 PolarHBondContact O-N 3.36Å
1991A86.5Confident86.1Confident36 Ų3663.1 Ų63.130%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-72.8138.3176.900000111.6L1946 L1994L1946-A1991 HydrophobicContact CD1-CB 3.77Å; A1991-L1994 HydrophobicContact CB-CB 4.49Å; A1991-L1994 HydrophobicContact CB-CD1 4.21Å
1992D89.4Confident86.4Confident80 Ų8061.7 Ų61.743%0.42836%0.36SS..SBendtrans-105.884.5170.7-166.713.7000109.9G1973 I1975 L1994G1973-D1992 PolarHBondContact O-N 2.79Å; I1975-D1992 HydrophobicContact CB-CB 4.4Å; I1975-D1992 HydrophobicContact CG1-CB 4.31Å; I1975-D1992 HydrophobicContact CG2-CB 3.58Å; D1992-L1994 VanDerWaalsContact C-N 3.27Å; D1992-L1994 PolarHBondContact O-N 3.08Å; D1992-L1994 VanDerWaalsContact O-N 3.14Å
1993N81.1Confident86.5Confident146 Ų14658.8 Ų58.878%0.78133%0.327SS*.SBendtrans53.233.6178.3-63.9-42.2000115.8T1995N1993-T1995 PolarHBondContact O-N 2.83Å
1994L80.5Confident86.6Confident23 Ų2358.7 Ų58.712%0.1233%0.327CS..  trans-67.4110.5174.1-73.7167000111.4Y1943 G1973 L1974 A1991 D1992 T1998 L1999Y1943-L1994 HydrophobicContact CD2-CB 4.34Å; Y1943-L1994 HydrophobicContact CD2-CD1 3.87Å; Y1943-L1994 HydrophobicContact CE2-CB 4.31Å; Y1943-L1994 HydrophobicContact CE2-CD1 3.83Å; Y1943-L1994 HydrophobicContact CE2-CG 4.47Å; G1973-L1994 VanDerWaalsContact O-CD1 3.22Å; G1973-L1994 WeakPolarHBondContact O-CD1 3.47Å; G1973-L1994 WeakPolarHBondContact O-CG 3.48Å; L1974-L1994 HydrophobicContact CD2-CD1 4.38Å; A1991-L1994 HydrophobicContact CB-CB 4.49Å; A1991-L1994 HydrophobicContact CB-CD1 4.21Å; D1992-L1994 VanDerWaalsContact C-N 3.27Å; D1992-L1994 PolarHBondContact O-N 3.08Å; D1992-L1994 VanDerWaalsContact O-N 3.14Å; L1994-T1998 WeakPolarHBondContact CD2-OG1 3.38Å; L1994-L1999 HydrophobicContact CD1-CD1 4Å; L1994-L1999 HydrophobicContact CD1-CG 4.19Å
1995T78.4Confident86.7Confident91 Ų9158.6 Ų58.656%0.55833%0.326SS*.  trans-105.7-13.917351.70000114W1936 N1993W1936-T1995 WeakPolarHBondContact CH2-O 3.46Å; N1993-T1995 PolarHBondContact O-N 2.83Å
1996D78.2Confident86.7Confident106 Ų10659.7 Ų59.757%0.56733%0.334SS*.SBendtrans-129156.8-178-59.7-44.8000111.1T1998D1996-T1998 VanDerWaalsContact C-N 3.32Å; D1996-T1998 HydrophobicContact CB-CG2 4.15Å; D1996-T1998 PolarHBondContact O-N 2.79Å; D1996-T1998 PolarHBondContact O-OG1 2.83Å
1997D82.9Confident86.7Confident64 Ų6458.9 Ų58.934%0.34233%0.329SS..  trans-74.676.4-179.3-174.521.2000112.4W1936 Y1943 K2028W1936-D1997 HydrophobicContact CB-CB 4.46Å; W1936-D1997 HydrophobicContact CD2-CB 3.69Å; W1936-D1997 HydrophobicContact CE3-CB 4.24Å; W1936-D1997 HydrophobicContact CG-CB 3.77Å; W1936-D1997 HydrophobicContact CZ2-CB 4.33Å; Y1943-D1997 VanDerWaalsContact OH-CA 3.27Å; Y1943-D1997 WeakPolarHBondContact OH-CA 3.26Å; Y1943-D1997 PolarHBondContact OH-OD1 3.49Å; D1997-K2028 WeakPolarHBondContact OD1-CD 3.45Å; D1997-K2028 IonicContact OD1-NZ 3.71Å; D1997-K2028 PolarHBondContact OD1-NZ 3.15Å; D1997-K2028 IonicContact OD2-NZ 3.65Å; D1997-K2028 PolarHBondContact OD2-NZ 3.13Å
1998T84.7Confident86.6Confident100 Ų10060.4 Ų60.461%0.61334%0.338SS*.  trans-106.7-9.8-173.854.50000114.8Y1943 L1994 D1996Y1943-T1998 PolarHBondContact OH-N 3.38Å; Y1943-T1998 VanDerWaalsContact OH-N 3.11Å; L1994-T1998 WeakPolarHBondContact CD2-OG1 3.38Å; D1996-T1998 VanDerWaalsContact C-N 3.32Å; D1996-T1998 HydrophobicContact CB-CG2 4.15Å; D1996-T1998 PolarHBondContact O-N 2.79Å; D1996-T1998 PolarHBondContact O-OG1 2.83Å
1999L84.2Confident86.4Confident10 Ų1059.4 Ų59.45%0.05233%0.332CS..SBendtrans-67.6143.1176.6-75.5167.2000111.5V1934 Y1943 L1974 L1994 K2028V1934-L1999 HydrophobicContact CG2-CD1 4.36Å; Y1943-L1999 HydrophobicContact CD1-CD1 4.22Å; Y1943-L1999 HydrophobicContact CD2-CD1 3.87Å; Y1943-L1999 HydrophobicContact CE1-CB 4.34Å; Y1943-L1999 HydrophobicContact CE1-CD1 4.01Å; Y1943-L1999 HydrophobicContact CE2-CB 4.43Å; Y1943-L1999 HydrophobicContact CE2-CD1 3.61Å; Y1943-L1999 HydrophobicContact CE2-CG 4.04Å; Y1943-L1999 HydrophobicContact CG-CD1 4.15Å; Y1943-L1999 WeakPolarHBondContact OH-CB 3.42Å; Y1943-L1999 PolarHBondContact OH-N 3.47Å; L1974-L1999 HydrophobicContact CD1-CD2 4Å; L1974-L1999 HydrophobicContact CD2-CD1 4.31Å; L1974-L1999 HydrophobicContact CD2-CD2 4.28Å; L1974-L1999 HydrophobicContact CG-CD2 3.97Å; L1994-L1999 HydrophobicContact CD1-CD1 4Å; L1994-L1999 HydrophobicContact CD1-CG 4.19Å; L1999-K2028 HydrophobicContact CB-CD 4.03Å; L1999-K2028 WeakPolarHBondContact O-CD 3.37Å; L1999-K2028 WeakPolarHBondContact O-CE 3.46Å; L1999-K2028 PolarHBondContact O-NZ 2.94Å
2000A82.2Confident86.1Confident60 Ų6059.9 Ų59.950%0.49634%0.335SS..  trans-70.3153.9174.500000111.8V2002 T2003 K2028A2000-V2002 PolarHBondContact O-N 3.47Å; A2000-T2003 PolarHBondContact O-OG1 2.6Å; A2000-K2028 WeakPolarHBondContact O-CB 3.41Å
2001Q81.1Confident85.7Confident152 Ų15256.9 Ų56.971%0.7132%0.319SS*.SBendtrans-57.3-36.5-177.9-168175.74.900113.2K2028Q2001-K2028 PolarHBondContact O-N 3.23Å
2002V87.5Confident85.4Confident74 Ų7462.2 Ų62.245%0.44833%0.331SS..EExtended strand (participates in β ladder)trans-129.1115.2171.9-176.90000107.5A2000 K2004 T2025 L2027A2000-V2002 PolarHBondContact O-N 3.47Å; V2002-K2004 HydrophobicContact CG1-CG 4.3Å; V2002-T2025 HydrophobicContact CG1-CG2 3.97Å; V2002-L2027 HydrophobicContact CB-CD2 4.49Å; V2002-L2027 HydrophobicContact CG1-CD2 4.2Å; V2002-L2027 HydrophobicContact CG2-CD2 3.88Å
2003T88.6Confident84.7Confident11 Ų1160.6 Ų60.67%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-110.6119.6178-64.60000108.7V1971 L1974 A2000 I2026V1971-T2003 HydrophobicContact CB-CG2 4.35Å; V1971-T2003 HydrophobicContact CG1-CG2 3.69Å; V1971-T2003 HydrophobicContact CG2-CG2 3.95Å; L1974-T2003 HydrophobicContact CD1-CG2 4.37Å; A2000-T2003 PolarHBondContact O-OG1 2.6Å; T2003-I2026 PolarHBondContact N-O 3.09Å; T2003-I2026 PolarHBondContact O-N 3.1Å
2004K90.5Very high84.1Confident112 Ų11253.9 Ų53.949%0.48728%0.284SS..EExtended strand (participates in β ladder)trans-109136.5-177.9-72.3162.9164.4-109.80110.1V2002 E2023V2002-K2004 HydrophobicContact CG1-CG 4.3Å; K2004-E2023 HydrophobicContact CB-CG 4.09Å; K2004-E2023 WeakPolarHBondContact CD-OE2 3.4Å; K2004-E2023 WeakPolarHBondContact CE-OE1 3.07Å; K2004-E2023 HydrophobicContact CG-CG 4.18Å; K2004-E2023 IonicContact NZ-OE1 3.81Å; K2004-E2023 PolarHBondContact NZ-OE1 2.96Å; K2004-E2023 IonicContact NZ-OE2 3.49Å; K2004-E2023 PolarHBondContact NZ-OE2 2.89Å
2005M90.6Very high83.5Confident4 Ų454 Ų542%0.0229%0.291CS..EExtended strand (participates in β ladder)trans-126.7117.3177.1-68.2179.359.700110.3I1968 S1969 V1971 T1976 I1989 L2024 I2026I1968-M2005 HydrophobicContact CG2-CE 3.59Å; S1969-M2005 VanDerWaalsContact OG-CA 3.27Å; S1969-M2005 WeakPolarHBondContact OG-CA 3.47Å; V1971-M2005 HydrophobicContact CG2-CG 3.76Å; V1971-M2005 HydrophobicContact CG2-SD 4.35Å; T1976-M2005 HydrophobicContact CG2-CE 3.54Å; I1989-M2005 HydrophobicContact CD1-CE 4.1Å; I1989-M2005 HydrophobicContact CD1-SD 3.85Å; I1989-M2005 HydrophobicContact CG1-CE 4.2Å; I1989-M2005 HydrophobicContact CG1-SD 4.35Å; I1989-M2005 HydrophobicContact CG2-SD 4.32Å; M2005-L2024 HydrophobicContact CB-CB 4.49Å; M2005-L2024 PolarHBondContact N-O 2.92Å; M2005-L2024 PolarHBondContact O-N 3.08Å; M2005-I2026 HydrophobicContact SD-CD1 4.2Å
2006N92.5Very high82.9Confident73 Ų7350.3 Ų50.339%0.3927%0.27SS..EExtended strand (participates in β ladder)trans-82.4129.6176.7-71.1-23.4000110.3I1968 S1969 T2021I1968-N2006 WeakPolarHBondContact CA-O 3.42Å; S1969-N2006 PolarHBondContact N-O 2.89Å; S1969-N2006 PolarHBondContact OG-N 2.89Å; N2006-T2021 HydrophobicContact CB-CG2 4.09Å
2007I91.1Very high82.8Confident3 Ų350.4 Ų50.42%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-114.3107.3174.8-57.5164.6000106.9L1927 T1950 V1952 L1966 N1967 I1968 I1987 V2009 T2021 R2022 L2024L1927-I2007 HydrophobicContact CD1-CD1 4.26Å; L1927-I2007 HydrophobicContact CD2-CD1 3.86Å; T1950-I2007 HydrophobicContact CG2-CD1 4.23Å; V1952-I2007 HydrophobicContact CG2-CG2 4.04Å; L1966-I2007 HydrophobicContact CG-CG2 4.46Å; N1967-I2007 WeakPolarHBondContact O-CA 3.37Å; I1968-I2007 HydrophobicContact CG2-CG1 4.5Å; I1987-I2007 HydrophobicContact CD1-CD1 3.75Å; I1987-I2007 HydrophobicContact CD1-CG1 4.01Å; I1987-I2007 HydrophobicContact CD1-CG2 3.81Å; I2007-V2009 HydrophobicContact CG2-CG2 4Å; I2007-T2021 WeakPolarHBondContact O-CA 3.16Å; I2007-R2022 PolarHBondContact N-O 3.38Å; I2007-R2022 PolarHBondContact O-N 3.06Å; I2007-L2024 HydrophobicContact CD1-CB 4.1Å
2008T89.9Confident82.4Confident34 Ų3449 Ų4921%0.20926%0.261CS..EExtended strand (participates in β ladder)trans-102.3126.1179.9-56.80000109.7L1966 N1967 E2019 Y2020 T2021L1966-T2008 CarbonylContact C-O 3.59Å; L1966-T2008 VanDerWaalsContact CA-O 3.29Å; L1966-T2008 WeakPolarHBondContact CA-O 3.39Å; N1967-T2008 PolarHBondContact N-O 2.82Å; N1967-T2008 PolarHBondContact O-N 3.49Å; T2008-E2019 HydrophobicContact CG2-CG 3.64Å; T2008-E2019 VanDerWaalsContact CG2-OE1 3.27Å; T2008-E2019 WeakPolarHBondContact CG2-OE1 3.43Å; T2008-Y2020 CarbonylContact C-O 3.52Å; T2008-Y2020 WeakPolarHBondContact CA-O 3.03Å; T2008-T2021 WeakPolarHBondContact CG2-OG1 3.47Å; T2008-T2021 PolarHBondContact OG1-OG1 2.79Å
2009V89.3Confident82.5Confident1 Ų150 Ų501%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-129.2131.5-171.4-168.90000109V1952 L1954 I1963 I2007 E2019 Y2020V1952-V2009 HydrophobicContact CG1-CB 4.35Å; V1952-V2009 HydrophobicContact CG1-CG1 3.99Å; V1952-V2009 HydrophobicContact CG1-CG2 3.44Å; V1952-V2009 VanDerWaalsContact CG1-CG2 3.44Å; L1954-V2009 HydrophobicContact CD1-CG1 4.18Å; L1954-V2009 HydrophobicContact CD2-CG1 4.44Å; L1954-V2009 HydrophobicContact CG-CG1 4.22Å; I1963-V2009 HydrophobicContact CB-CG1 4.33Å; I1963-V2009 HydrophobicContact CD1-CG1 4.01Å; I1963-V2009 HydrophobicContact CG1-CG1 3.84Å; I1963-V2009 HydrophobicContact CG2-CG1 3.62Å; I2007-V2009 HydrophobicContact CG2-CG2 4Å; V2009-E2019 CarbonylContact O-C 3.43Å; V2009-E2019 WeakPolarHBondContact O-CA 3.25Å; V2009-Y2020 PolarHBondContact N-O 2.87Å; V2009-Y2020 PolarHBondContact O-N 2.92Å
2010V86Confident82.4Confident14 Ų1451.6 Ų51.69%0.08526%0.264CS..EExtended strand (participates in β ladder)trans-120.3132.4178.3-174.50000110.7S1964 S1965 N2017 Y2018 E2019S1964-V2010 WeakPolarHBondContact CA-O 3.47Å; S1964-V2010 VanDerWaalsContact CB-O 3.3Å; S1964-V2010 WeakPolarHBondContact CB-O 3.48Å; S1964-V2010 PolarHBondContact N-O 3Å; S1965-V2010 PolarHBondContact N-O 3.28Å; S1965-V2010 PolarHBondContact O-N 2.83Å; S1965-V2010 WeakPolarHBondContact OG-CB 3.44Å; S1965-V2010 WeakPolarHBondContact OG-CG2 3.47Å; V2010-N2017 HydrophobicContact CG1-CB 3.83Å; V2010-Y2018 WeakPolarHBondContact CA-O 3.34Å; V2010-E2019 HydrophobicContact CG2-CB 4.11Å; V2010-E2019 HydrophobicContact CG2-CG 3.95Å
2011G84Confident82.8Confident0 Ų051.9 Ų51.90%026%0.259CS..EExtended strand (participates in β ladder)trans-120.8142.8163.600000111Y2018G2011-Y2018 PolarHBondContact N-O 3.26Å; G2011-Y2018 WeakPolarHBondContact O-CB 3.39Å; G2011-Y2018 PolarHBondContact O-N 3.42Å
2012R80.8Confident83Confident148 Ų14848.6 Ų48.656%0.55824%0.241SC*.EExtended strand (participates in β ladder)trans-110.4132.2-178.2-161.5171.3-175.5-176.1-1.8111.8W1961 G2015 A2016W1961-R2012 PolarHBondContact NE1-O 3.31Å; R2012-G2015 PolarHBondContact NE-O 3.09Å; R2012-A2016 WeakPolarHBondContact CA-O 3.46Å
2013Y75.6Confident83.1Confident47 Ų4748.7 Ų48.718%0.18424%0.236CC..EExtended strand (participates in β ladder)trans-149.1131.8173.4173.7-89.6000110.3D1793 P1921 Y1956 W1961 G2015 A2016 Y2018D1793-Y2013 PolarHBondContact OD2-OH 2.95Å; P1921-Y2013 HydrophobicContact CB-CD1 4.44Å; P1921-Y2013 HydrophobicContact CB-CE1 4Å; P1921-Y2013 HydrophobicContact CG-CD1 3.81Å; P1921-Y2013 HydrophobicContact CG-CE1 3.2Å; Y1956-Y2013 HydrophobicContact CE1-CD2 4.11Å; Y1956-Y2013 AromaticContact CE1-CE2 3.75Å; Y1956-Y2013 HydrophobicContact CE1-CE2 3.75Å; Y1956-Y2013 AromaticContact CZ-CE2 3.88Å; Y1956-Y2013 AromaticContact CZ-CZ 3.98Å; Y1956-Y2013 PolarHBondContact OH-OH 2.6Å; W1961-Y2013 HydrophobicContact CZ2-CD2 4.41Å; Y2013-G2015 PolarHBondContact O-N 3.03Å; Y2013-A2016 PolarHBondContact N-O 3.22Å; Y2013-A2016 VanDerWaalsContact N-O 3.07Å; Y2013-A2016 PolarHBondContact O-N 3.15Å; Y2013-A2016 VanDerWaalsContact O-N 3.07Å; Y2013-Y2018 HydrophobicContact CD1-CE2 4.49Å
2014A68.4Low83.2Confident4 Ų448.2 Ų48.23%0.03323%0.233CC..THydrogen-bonded Turntrans48.156-179.700000112.5D1878 Y1884 A2016D1878-A2014 PolarHBondContact OD2-N 3.29Å; Y1884-A2014 HydrophobicContact CD1-CB 4.38Å; Y1884-A2014 WeakPolarHBondContact CD2-O 3.24Å; Y1884-A2014 HydrophobicContact CE1-CB 4.25Å; A2014-A2016 PolarHBondContact O-N 2.65Å
2015G67Low83.2Confident26 Ų2644.1 Ų44.127%0.26822%0.218SC..THydrogen-bonded Turntrans72.2-30.5-176.200000116.1R2012 Y2013R2012-G2015 PolarHBondContact NE-O 3.09Å; Y2013-G2015 PolarHBondContact O-N 3.03Å
2016A65.2Low83.2Confident14 Ų1444.1 Ų44.112%0.11622%0.217CC..EExtended strand (participates in β ladder)trans-80.4136.6-17200000113.6R2012 Y2013 A2014 Y2018R2012-A2016 WeakPolarHBondContact CA-O 3.46Å; Y2013-A2016 PolarHBondContact N-O 3.22Å; Y2013-A2016 VanDerWaalsContact N-O 3.07Å; Y2013-A2016 PolarHBondContact O-N 3.15Å; Y2013-A2016 VanDerWaalsContact O-N 3.07Å; A2014-A2016 PolarHBondContact O-N 2.65Å; A2016-Y2018 HydrophobicContact CB-CE2 4.06Å
2017N76.4Confident82.8Confident108 Ų10844.4 Ų44.458%0.57822%0.219SC*.EExtended strand (participates in β ladder)trans-88117.8170.9-73.6-22.4000109.5V2010 E2019V2010-N2017 HydrophobicContact CG1-CB 3.83Å; N2017-E2019 PolarHBondContact O-N 2.76Å
2018Y75.3Confident82.5Confident35 Ų3546.2 Ų46.214%0.13723%0.226CC..EExtended strand (participates in β ladder)trans-9290.9170-64.2-102.3000107.3P1921 M1923 V2010 G2011 Y2013 A2016 Y2020P1921-Y2018 PolarHBondContact O-OH 3.39Å; P1921-Y2018 VanDerWaalsContact O-OH 3.05Å; M1923-Y2018 HydrophobicContact CB-CD1 3.93Å; M1923-Y2018 HydrophobicContact CB-CE1 4.38Å; M1923-Y2018 HydrophobicContact CB-CG 4.11Å; M1923-Y2018 HydrophobicContact CE-CD2 3.55Å; M1923-Y2018 HydrophobicContact CE-CE2 4.37Å; M1923-Y2018 HydrophobicContact CE-CG 3.65Å; V2010-Y2018 WeakPolarHBondContact CA-O 3.34Å; G2011-Y2018 PolarHBondContact N-O 3.26Å; G2011-Y2018 WeakPolarHBondContact O-CB 3.39Å; G2011-Y2018 PolarHBondContact O-N 3.42Å; Y2013-Y2018 HydrophobicContact CD1-CE2 4.49Å; A2016-Y2018 HydrophobicContact CB-CE2 4.06Å; Y2018-Y2020 WeakPolarHBondContact O-CD2 3.09Å; Y2018-Y2020 WeakPolarHBondContact O-CE2 3.09Å
2019E85.5Confident81.8Confident121 Ų12147.4 Ų47.457%0.56524%0.236SC*.EExtended strand (participates in β ladder)trans-89.7131176.2-174.5173.1135.300110.6T2008 V2009 V2010 N2017T2008-E2019 HydrophobicContact CG2-CG 3.64Å; T2008-E2019 VanDerWaalsContact CG2-OE1 3.27Å; T2008-E2019 WeakPolarHBondContact CG2-OE1 3.43Å; V2009-E2019 CarbonylContact O-C 3.43Å; V2009-E2019 WeakPolarHBondContact O-CA 3.25Å; V2010-E2019 HydrophobicContact CG2-CB 4.11Å; V2010-E2019 HydrophobicContact CG2-CG 3.95Å; N2017-E2019 PolarHBondContact O-N 2.76Å
2020Y83.4Confident80.7Confident42 Ų4251.4 Ų51.417%0.16526%0.264CS..EExtended strand (participates in β ladder)trans-125.1116.7173.3-55.9-89.7000108M1923 C1925 L1954 T2008 V2009 Y2018M1923-Y2020 PolarHBondContact O-OH 3.29Å; C1925-Y2020 HydrophobicContact CB-CD1 3.71Å; C1925-Y2020 HydrophobicContact CB-CD2 3.45Å; C1925-Y2020 VanDerWaalsContact CB-CD2 3.45Å; C1925-Y2020 HydrophobicContact CB-CE1 4.3Å; C1925-Y2020 HydrophobicContact CB-CE2 4.07Å; C1925-Y2020 HydrophobicContact CB-CG 3.25Å; L1954-Y2020 HydrophobicContact CD2-CD2 3.74Å; L1954-Y2020 HydrophobicContact CD2-CE2 3.75Å; T2008-Y2020 CarbonylContact C-O 3.52Å; T2008-Y2020 WeakPolarHBondContact CA-O 3.03Å; V2009-Y2020 PolarHBondContact N-O 2.87Å; V2009-Y2020 PolarHBondContact O-N 2.92Å; Y2018-Y2020 WeakPolarHBondContact O-CD2 3.09Å; Y2018-Y2020 WeakPolarHBondContact O-CE2 3.09Å
2021T89.8Confident80Confident66 Ų6652.2 Ų52.241%0.40527%0.268SS..EExtended strand (participates in β ladder)trans-94.9122.1164.1-65.70000108.2N2006 I2007 T2008N2006-T2021 HydrophobicContact CB-CG2 4.09Å; I2007-T2021 WeakPolarHBondContact O-CA 3.16Å; T2008-T2021 WeakPolarHBondContact CG2-OG1 3.47Å; T2008-T2021 PolarHBondContact OG1-OG1 2.79Å
2022R85.9Confident79.1Confident84 Ų8456.4 Ų56.432%0.31729%0.294SS..EExtended strand (participates in β ladder)trans-117.4142.5174.5-68.8-77.7-176-96.50.2109.2C1925 L1927 I2007C1925-R2022 PolarHBondContact O-NH2 3.19Å; L1927-R2022 HydrophobicContact CD1-CB 3.29Å; L1927-R2022 HydrophobicContact CD1-CG 3.9Å; L1927-R2022 HydrophobicContact CG-CB 4.12Å; L1927-R2022 HydrophobicContact CG-CG 4.29Å; I2007-R2022 PolarHBondContact N-O 3.38Å; I2007-R2022 PolarHBondContact O-N 3.06Å
2023E89.6Confident78.7Confident76 Ų7652 Ų5236%0.35528%0.283SS..EExtended strand (participates in β ladder)trans-102.1124.4-179.5-173.3-178.287.100109.5K2004 T2025K2004-E2023 HydrophobicContact CB-CG 4.09Å; K2004-E2023 WeakPolarHBondContact CD-OE2 3.4Å; K2004-E2023 WeakPolarHBondContact CE-OE1 3.07Å; K2004-E2023 HydrophobicContact CG-CG 4.18Å; K2004-E2023 IonicContact NZ-OE1 3.81Å; K2004-E2023 PolarHBondContact NZ-OE1 2.96Å; K2004-E2023 IonicContact NZ-OE2 3.49Å; K2004-E2023 PolarHBondContact NZ-OE2 2.89Å; E2023-T2025 PolarHBondContact OE1-OG1 3.34Å
2024L89.8Confident78.8Confident1 Ų154 Ų541%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-94120165.4-178.5145.4000108.7E1930 T1950 I1989 M2005 I2007 I2026E1930-L2024 WeakPolarHBondContact O-CA 3.46Å; T1950-L2024 HydrophobicContact CG2-CD1 3.7Å; I1989-L2024 HydrophobicContact CD1-CD1 3.95Å; I1989-L2024 HydrophobicContact CD1-CD2 3.57Å; I1989-L2024 HydrophobicContact CD1-CG 4.42Å; M2005-L2024 HydrophobicContact CB-CB 4.49Å; M2005-L2024 PolarHBondContact N-O 2.92Å; M2005-L2024 PolarHBondContact O-N 3.08Å; I2007-L2024 HydrophobicContact CD1-CB 4.1Å; L2024-I2026 HydrophobicContact CD2-CD1 4.05Å; L2024-I2026 HydrophobicContact CD2-CG1 3.6Å
2025T90.6Very high79.7Confident26 Ų2656.4 Ų56.416%0.1631%0.309CS..EExtended strand (participates in β ladder)trans-103.1124.3-179.6-62.70000111.1E1930 S1931 A1932 V2002 E2023 L2027E1930-T2025 PolarHBondContact O-N 3.48Å; S1931-T2025 CarbonylContact C-O 3.54Å; S1931-T2025 WeakPolarHBondContact CA-O 3.37Å; A1932-T2025 PolarHBondContact N-O 2.79Å; V2002-T2025 HydrophobicContact CG1-CG2 3.97Å; E2023-T2025 PolarHBondContact OE1-OG1 3.34Å; T2025-L2027 HydrophobicContact CG2-CD2 4.1Å; T2025-L2027 HydrophobicContact CG2-CG 4.22Å
2026I91.6Very high80.6Confident3 Ų358.8 Ų58.82%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-105.8115.6172.5-53.8175.1000108.5A1932 V1934 I1948 L1974 I1989 T2003 M2005 L2024A1932-I2026 CarbonylContact O-C 3.48Å; A1932-I2026 VanDerWaalsContact O-CA 3.27Å; A1932-I2026 WeakPolarHBondContact O-CA 3.01Å; V1934-I2026 HydrophobicContact CB-CG2 4.47Å; V1934-I2026 HydrophobicContact CG1-CG2 4Å; V1934-I2026 HydrophobicContact CG2-CG2 3.77Å; I1948-I2026 HydrophobicContact CD1-CD1 3.89Å; I1948-I2026 HydrophobicContact CD1-CG1 3.99Å; I1948-I2026 HydrophobicContact CD1-CG2 4.25Å; L1974-I2026 HydrophobicContact CD1-CD1 3.91Å; I1989-I2026 HydrophobicContact CD1-CD1 4.45Å; I1989-I2026 HydrophobicContact CG2-CD1 4.33Å; T2003-I2026 PolarHBondContact N-O 3.09Å; T2003-I2026 PolarHBondContact O-N 3.1Å; M2005-I2026 HydrophobicContact SD-CD1 4.2Å; L2024-I2026 HydrophobicContact CD2-CD1 4.05Å; L2024-I2026 HydrophobicContact CD2-CG1 3.6Å
2027L83.8Confident81.9Confident80 Ų8058.3 Ų58.342%0.41931%0.309SS..EExtended strand (participates in β ladder)trans-94.9123.6177.3-65.2171.1000110.4A1932 S1933 V1934 V2002 T2025A1932-L2027 PolarHBondContact O-N 3.07Å; S1933-L2027 CarbonylContact C-O 3.41Å; S1933-L2027 VanDerWaalsContact CA-O 3.26Å; S1933-L2027 WeakPolarHBondContact CA-O 3.39Å; V1934-L2027 PolarHBondContact N-O 2.9Å; V2002-L2027 HydrophobicContact CB-CD2 4.49Å; V2002-L2027 HydrophobicContact CG1-CD2 4.2Å; V2002-L2027 HydrophobicContact CG2-CD2 3.88Å; T2025-L2027 HydrophobicContact CG2-CD2 4.1Å; T2025-L2027 HydrophobicContact CG2-CG 4.22Å
2028K85Confident82.5Confident40 Ų4056 Ų5617%0.17430%0.296CS..EExtended strand (participates in β ladder)trans-96.5124.4174.6-174.4-17086157.40110.9V1934 Y1943 D1997 L1999 A2000 Q2001V1934-K2028 HydrophobicContact CG2-CB 4.25Å; V1934-K2028 HydrophobicContact CG2-CG 4.43Å; V1934-K2028 VanDerWaalsContact O-CA 3.28Å; V1934-K2028 WeakPolarHBondContact O-CA 3.39Å; Y1943-K2028 HydrophobicContact CE1-CD 3.93Å; Y1943-K2028 HydrophobicContact CE1-CG 4.17Å; D1997-K2028 WeakPolarHBondContact OD1-CD 3.45Å; D1997-K2028 IonicContact OD1-NZ 3.71Å; D1997-K2028 PolarHBondContact OD1-NZ 3.15Å; D1997-K2028 IonicContact OD2-NZ 3.65Å; D1997-K2028 PolarHBondContact OD2-NZ 3.13Å; L1999-K2028 HydrophobicContact CB-CD 4.03Å; L1999-K2028 WeakPolarHBondContact O-CD 3.37Å; L1999-K2028 WeakPolarHBondContact O-CE 3.46Å; L1999-K2028 PolarHBondContact O-NZ 2.94Å; A2000-K2028 WeakPolarHBondContact O-CB 3.41Å; Q2001-K2028 PolarHBondContact O-N 3.23Å
2029S74Confident83.2Confident59 Ų5955 Ų5541%0.41329%0.293SS..EExtended strand (participates in β ladder)trans-101.1143.617053.70000112V1934 A1935 W1936V1934-S2029 PolarHBondContact O-N 3Å; A1935-S2029 WeakPolarHBondContact CB-OG 3.48Å; W1936-S2029 PolarHBondContact N-O 2.73Å
2030S67.9Low83.4Confident85 Ų8552.7 Ų52.759%0.59429%0.29SS*.PPolyproline II helixtrans-67.6151.7171.950.80000111.6T2032S2030-T2032 PolarHBondContact O-N 3.48Å
2031D69.7Low83.4Confident31 Ų3151.5 Ų51.517%0.16629%0.289CS..PPolyproline II helixtrans-68.4127172.9-159.90.8000109.9W1936 T1938 S2065 S2066W1936-D2031 WeakPolarHBondContact O-CB 3.38Å; T1938-D2031 VanDerWaalsContact CB-OD2 3.27Å; T1938-D2031 WeakPolarHBondContact CB-OD2 3.4Å; T1938-D2031 PolarHBondContact N-OD2 3.46Å; T1938-D2031 WeakPolarHBondContact OG1-CB 3.28Å; T1938-D2031 VanDerWaalsContact OG1-CG 3.28Å; T1938-D2031 PolarHBondContact OG1-OD2 2.75Å; D2031-S2065 PolarHBondContact OD1-OG 3.13Å; D2031-S2065 PolarHBondContact OD2-OG 3.04Å; D2031-S2065 VanDerWaalsContact OD2-OG 3.1Å; D2031-S2066 WeakPolarHBondContact CA-OG 3.27Å; D2031-S2066 WeakPolarHBondContact OD1-CB 3.46Å; D2031-S2066 PolarHBondContact OD1-N 2.86Å; D2031-S2066 VanDerWaalsContact OD1-N 3.1Å; D2031-S2066 PolarHBondContact OD1-OG 3.36Å
2032T65.7Low83.1Confident88 Ų8855.1 Ų55.154%0.5431%0.306SS..  trans-108115.3175-54.40000108.7S2030 V2034 S2066S2030-T2032 PolarHBondContact O-N 3.48Å; T2032-V2034 HydrophobicContact CG2-CG2 4.47Å; T2032-S2066 PolarHBondContact N-OG 2.74Å
2033V73.5Confident82.9Confident56 Ų5653.3 Ų53.334%0.33931%0.306SS..  trans-106.6114.6177.9-173.50000109.5Y2035 A2063 T2064V2033-Y2035 HydrophobicContact CG1-CE1 4.02Å; V2033-Y2035 HydrophobicContact CG1-CE2 4.13Å; V2033-A2063 HydrophobicContact CG1-CB 3.84Å; V2033-T2064 VanDerWaalsContact CA-O 3.32Å; V2033-T2064 WeakPolarHBondContact CA-O 3.42Å
2034V77.2Confident82.6Confident89 Ų8949.7 Ų49.754%0.53929%0.289SS..EExtended strand (participates in β ladder)trans-97.9125175.5-178.60000109T2032 A2063 T2064T2032-V2034 HydrophobicContact CG2-CG2 4.47Å; V2034-A2063 CarbonylContact O-C 3.56Å; V2034-A2063 WeakPolarHBondContact O-CA 3.46Å; V2034-T2064 PolarHBondContact N-O 2.94Å; V2034-T2064 PolarHBondContact O-N 3.11Å
2035Y86.6Confident82.2Confident55 Ų5552.9 Ų52.922%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-96.9138.3175.4-61.8-77000110.7V2033 V2061 Y2062 A2063 L2073 P2077 I2080 L2113 L2121V2033-Y2035 HydrophobicContact CG1-CE1 4.02Å; V2033-Y2035 HydrophobicContact CG1-CE2 4.13Å; Y2035-V2061 HydrophobicContact CD1-CG1 4.22Å; Y2035-Y2062 CarbonylContact C-O 3.45Å; Y2035-Y2062 VanDerWaalsContact CA-O 3.26Å; Y2035-Y2062 WeakPolarHBondContact CA-O 3.21Å; Y2035-A2063 HydrophobicContact CD1-CB 3.81Å; Y2035-A2063 HydrophobicContact CE1-CB 3.72Å; Y2035-L2073 HydrophobicContact CD1-CD1 3.84Å; Y2035-L2073 HydrophobicContact CE1-CD1 3.79Å; Y2035-P2077 HydrophobicContact CE1-CG 4.3Å; Y2035-I2080 HydrophobicContact CD2-CD1 4.42Å; Y2035-I2080 HydrophobicContact CE2-CD1 3.84Å; Y2035-L2113 HydrophobicContact CG-CD2 4.14Å; Y2035-L2121 HydrophobicContact CD2-CD1 4.25Å
2036E86.5Confident81.6Confident75 Ų7552.2 Ų52.235%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-135.8129.1-177.5-168.8-169.814300109.8V2061 Y2062 R2070 D2122E2036-V2061 WeakPolarHBondContact O-CA 3.47Å; E2036-Y2062 PolarHBondContact N-O 2.85Å; E2036-Y2062 PolarHBondContact O-N 3.29Å; E2036-R2070 IonicContact OE1-CZ 2.69Å; E2036-R2070 IonicContact OE1-NH1 3.52Å; E2036-R2070 IonicContact OE1-NH2 3.1Å; E2036-R2070 PolarHBondContact OE1-NH2 3.12Å; E2036-R2070 IonicContact OE2-CZ 3.88Å; E2036-R2070 VanDerWaalsContact OE2-CZ 3.28Å; E2036-R2070 IonicContact OE2-NE 3.9Å; E2036-R2070 IonicContact OE2-NH1 2.96Å; E2036-R2070 IonicContact OE2-NH2 3.16Å; E2036-R2070 PolarHBondContact OE2-NH2 3.14Å; E2036-D2122 WeakPolarHBondContact CA-OD2 3.25Å
2037L92.2Very high80.6Confident5 Ų555.5 Ų55.53%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-86.6126.1174-71.8170.6000109.9C2059 D2060 V2061 L2082 F2111 L2113 D2122 E2124L2037-C2059 VanDerWaalsContact CD2-SG 3.57Å; L2037-D2060 WeakPolarHBondContact CA-O 3.41Å; L2037-V2061 HydrophobicContact CD2-CG2 3.67Å; L2037-L2082 HydrophobicContact CD2-CD1 3.44Å; L2037-L2082 VanDerWaalsContact CD2-CD1 3.44Å; L2037-F2111 HydrophobicContact CD1-CB 4.27Å; L2037-L2113 HydrophobicContact CD1-CB 4.19Å; L2037-L2113 HydrophobicContact CD2-CB 4.37Å; L2037-L2113 HydrophobicContact CG-CB 4.36Å; L2037-D2122 WeakPolarHBondContact CB-OD2 3.39Å; L2037-D2122 HydrophobicContact CD1-CB 4.12Å; L2037-D2122 WeakPolarHBondContact CD1-O 3.37Å; L2037-D2122 HydrophobicContact CG-CB 4.18Å; L2037-D2122 PolarHBondContact N-OD2 3.47Å; L2037-E2124 HydrophobicContact CB-CB 4.36Å
2038I88.2Confident79.8Confident60 Ų6059.8 Ų59.831%0.30834%0.337SS..EExtended strand (participates in β ladder)trans-117.2107.1169.7-66.6-169.1000108.8C2059 D2060 Y2062I2038-C2059 VanDerWaalsContact C-SG 3.58Å; I2038-C2059 WeakPolarHBondContact O-CA 3.28Å; I2038-D2060 PolarHBondContact N-O 2.6Å; I2038-D2060 PolarHBondContact O-N 3.4Å; I2038-Y2062 HydrophobicContact CD1-CD2 4.13Å; I2038-Y2062 HydrophobicContact CD1-CE2 4.11Å; I2038-Y2062 HydrophobicContact CG1-CD2 4.33Å
2039P91.4Very high79Confident13 Ų1364.2 Ų64.28%0.08436%0.363CS..EExtended strand (participates in β ladder)trans-65.2152.1167.2-1629.1000111.5A2041 V2057 S2058 F2111 E2124 V2126P2039-A2041 PolarHBondContact O-N 3.4Å; P2039-V2057 HydrophobicContact CB-CG1 4.08Å; P2039-S2058 CarbonylContact C-O 3.4Å; P2039-S2058 WeakPolarHBondContact CA-O 3.24Å; P2039-F2111 HydrophobicContact CB-CD2 4.41Å; P2039-F2111 HydrophobicContact CB-CE2 4.28Å; P2039-F2111 HydrophobicContact CG-CD2 4.31Å; P2039-E2124 HydrophobicContact CG-CB 3.92Å; P2039-E2124 HydrophobicContact CG-CG 3.36Å; P2039-V2126 HydrophobicContact CB-CG2 3.6Å; P2039-V2126 HydrophobicContact CG-CG2 3.84Å
2040S90.1Very high78.7Confident72 Ų7263.2 Ų63.250%0.50336%0.362SS..SBendtrans-72.7-8.1178.267.80000114.2V2057 S2058S2040-V2057 WeakPolarHBondContact OG-CA 3.45Å; S2040-S2058 PolarHBondContact N-O 2.72Å; S2040-S2058 PolarHBondContact OG-N 3.49Å; S2040-S2058 PolarHBondContact OG-O 3.28Å
2041A82.3Confident79Confident17 Ų1760.7 Ų60.714%0.1435%0.349CS..  trans-151137.3177.400000110.7P2039 V2054 V2057 V2126P2039-A2041 PolarHBondContact O-N 3.4Å; A2041-V2054 HydrophobicContact CB-CG2 3.89Å; A2041-V2057 HydrophobicContact CB-CG2 4.29Å; A2041-V2126 WeakPolarHBondContact O-CG1 3.28Å; A2041-V2126 WeakPolarHBondContact O-CG2 3.43Å
2042D83.1Confident79.4Confident143 Ų14360.6 Ų60.677%0.76535%0.35SS*.SBendtrans-81.9-26.1-177.5-54.6-31.2000113P2127D2042-P2127 WeakPolarHBondContact O-CD 3.33Å
2043S83Confident80Confident46 Ų4660 Ų6032%0.32235%0.349SS..  trans-156.6151.8174.158.50000110.8
2044I83.2Confident80.3Confident0 Ų059.9 Ų59.90%035%0.349CS..EExtended strand (participates in β ladder)trans-107.5114.1171-56.1118.9000107.7T2052 S2053 V2054 V2057 V2102 V2126 P2127 V2128 L2129I2044-T2052 HydrophobicContact CG2-CG2 3.85Å; I2044-S2053 WeakPolarHBondContact CA-OG 3.47Å; I2044-V2054 HydrophobicContact CG1-CG2 3.89Å; I2044-V2054 HydrophobicContact CG2-CG2 4.5Å; I2044-V2057 HydrophobicContact CD1-CG2 4.01Å; I2044-V2057 HydrophobicContact CG1-CG2 4.22Å; I2044-V2102 HydrophobicContact CD1-CB 4.46Å; I2044-V2102 HydrophobicContact CD1-CG1 3.92Å; I2044-V2102 HydrophobicContact CD1-CG2 3.89Å; I2044-V2102 HydrophobicContact CG1-CG1 4.3Å; I2044-V2102 HydrophobicContact CG1-CG2 4.43Å; I2044-V2102 HydrophobicContact CG2-CG1 4.15Å; I2044-V2126 HydrophobicContact CD1-CB 4.34Å; I2044-V2126 HydrophobicContact CD1-CG1 3.57Å; I2044-V2126 HydrophobicContact CG1-CG1 4.22Å; I2044-P2127 PolarHBondContact N-O 3.42Å; I2044-V2128 HydrophobicContact CB-CG1 4.48Å; I2044-V2128 HydrophobicContact CB-CG2 4.15Å; I2044-V2128 HydrophobicContact CD1-CG2 3.86Å; I2044-V2128 HydrophobicContact CG2-CG1 4.46Å; I2044-V2128 CarbonylContact O-C 3.5Å; I2044-V2128 VanDerWaalsContact O-CA 3.24Å; I2044-V2128 WeakPolarHBondContact O-CA 3.25Å; I2044-L2129 PolarHBondContact O-N 2.72Å
2045V79.7Confident80.6Confident67 Ų6761 Ų6141%0.40635%0.352SS..EExtended strand (participates in β ladder)trans-90.7127.4177-179.10000108.6T2052 S2053V2045-T2052 CarbonylContact O-C 3.57Å; V2045-T2052 WeakPolarHBondContact O-CA 3.26Å; V2045-S2053 PolarHBondContact N-OG 3.48Å; V2045-S2053 PolarHBondContact O-N 2.8Å
2046V77.9Confident80.6Confident12 Ų1261 Ų617%0.07336%0.36CS..EExtended strand (participates in β ladder)trans-92.2114168.7-173.20000107.4G2051 T2052 V2128 L2129 F2131V2046-G2051 CarbonylContact C-O 3.52Å; V2046-G2051 WeakPolarHBondContact CA-O 3.33Å; V2046-T2052 HydrophobicContact CG2-CG2 4.13Å; V2046-V2128 HydrophobicContact CG2-CG1 3.43Å; V2046-V2128 VanDerWaalsContact CG2-CG1 3.43Å; V2046-L2129 PolarHBondContact N-O 2.72Å; V2046-F2131 PolarHBondContact O-N 3.38Å
2047D71.6Confident80.7Confident73 Ų7357.5 Ų57.539%0.3934%0.343SS..  trans-68.2173.8176.57322.7000111.9D2049 G2050 G2051D2047-D2049 PolarHBondContact O-N 3.17Å; D2047-D2049 VanDerWaalsContact O-N 3.15Å; D2047-D2049 VanDerWaalsContact OD1-CA 3.31Å; D2047-D2049 WeakPolarHBondContact OD1-CA 3.34Å; D2047-D2049 WeakPolarHBondContact OD1-CB 3.47Å; D2047-D2049 PolarHBondContact OD1-N 2.82Å; D2047-G2050 PolarHBondContact O-N 3.35Å; D2047-G2050 VanDerWaalsContact O-N 3.16Å; D2047-G2050 PolarHBondContact OD1-N 2.81Å; D2047-G2051 PolarHBondContact N-O 3.04Å; D2047-G2051 PolarHBondContact OD1-N 2.87Å
2048K66.7Low80.6Confident169 Ų16958.9 Ų58.974%0.73535%0.353SS*.THydrogen-bonded Turntrans-62-18.7179.663.9172.7-172.8172.50114.2
2049D69Low80.8Confident133 Ų13356 Ų5671%0.71134%0.339SS*.THydrogen-bonded Turntrans-98.30.3-177.3-60.2-41.5000111.5D2047D2047-D2049 PolarHBondContact O-N 3.17Å; D2047-D2049 VanDerWaalsContact O-N 3.15Å; D2047-D2049 VanDerWaalsContact OD1-CA 3.31Å; D2047-D2049 WeakPolarHBondContact OD1-CA 3.34Å; D2047-D2049 WeakPolarHBondContact OD1-CB 3.47Å; D2047-D2049 PolarHBondContact OD1-N 2.82Å
2050G66.4Low80.8Confident38 Ų3857.4 Ų57.439%0.39235%0.345SS..SBendtrans895.6179.300000114.6D2047D2047-G2050 PolarHBondContact O-N 3.35Å; D2047-G2050 VanDerWaalsContact O-N 3.16Å; D2047-G2050 PolarHBondContact OD1-N 2.81Å
2051G75.1Confident80.8Confident32 Ų3254 Ų5433%0.3332%0.321SS..  trans-78.8137176.600000112.3V2046 D2047V2046-G2051 CarbonylContact C-O 3.52Å; V2046-G2051 WeakPolarHBondContact CA-O 3.33Å; D2047-G2051 PolarHBondContact N-O 3.04Å; D2047-G2051 PolarHBondContact OD1-N 2.87Å
2052T77.2Confident81Confident29 Ų2955.8 Ų55.818%0.17833%0.325CS..BIsolated β-bridgetrans-89.6145.3174.647.90000111.3I2044 V2045 V2046 V2054 N2055I2044-T2052 HydrophobicContact CG2-CG2 3.85Å; V2045-T2052 CarbonylContact O-C 3.57Å; V2045-T2052 WeakPolarHBondContact O-CA 3.26Å; V2046-T2052 HydrophobicContact CG2-CG2 4.13Å; T2052-V2054 VanDerWaalsContact C-N 3.25Å; T2052-V2054 PolarHBondContact O-N 3.31Å; T2052-N2055 PolarHBondContact OG1-OD1 3.31Å; T2052-N2055 VanDerWaalsContact OG1-OD1 3.14Å
2053S78.2Confident81Confident75 Ų7549.4 Ų49.452%0.52429%0.292SS..SBendtrans-65.4-25.1177.456.60000114.3I2044 V2045I2044-S2053 WeakPolarHBondContact CA-OG 3.47Å; V2045-S2053 PolarHBondContact N-OG 3.48Å; V2045-S2053 PolarHBondContact O-N 2.8Å
2054V80Confident80.8Confident54 Ų5449 Ų4933%0.32729%0.288SS..  trans-147.9136.3176.8-101.20000108.7A2041 I2044 T2052A2041-V2054 HydrophobicContact CB-CG2 3.89Å; I2044-V2054 HydrophobicContact CG1-CG2 3.89Å; I2044-V2054 HydrophobicContact CG2-CG2 4.5Å; T2052-V2054 VanDerWaalsContact C-N 3.25Å; T2052-V2054 PolarHBondContact O-N 3.31Å
2055N83.4Confident80.2Confident114 Ų11449.5 Ų49.561%0.6129%0.291SS*.SBendtrans-89.5-20.1-175.3-64.9-17.5000113.3T2052 D2101 V2102T2052-N2055 PolarHBondContact OG1-OD1 3.31Å; T2052-N2055 VanDerWaalsContact OG1-OD1 3.14Å; N2055-D2101 WeakPolarHBondContact O-CA 3.39Å; N2055-V2102 PolarHBondContact O-N 3.36Å
2056S86.4Confident79.6Confident55 Ų5548.2 Ų48.239%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-146.1150.3173.967.20000111.1V2100S2056-V2100 CarbonylContact C-O 3.48Å; S2056-V2100 WeakPolarHBondContact CA-O 3.46Å
2057V89Confident79.2Confident0 Ų049 Ų490%029%0.289CS..EExtended strand (participates in β ladder)trans-126.1125.7178.7-176.90000108.9P2039 S2040 A2041 I2044 V2100 V2102 F2111 V2126P2039-V2057 HydrophobicContact CB-CG1 4.08Å; S2040-V2057 WeakPolarHBondContact OG-CA 3.45Å; A2041-V2057 HydrophobicContact CB-CG2 4.29Å; I2044-V2057 HydrophobicContact CD1-CG2 4.01Å; I2044-V2057 HydrophobicContact CG1-CG2 4.22Å; V2057-V2100 PolarHBondContact N-O 3.35Å; V2057-V2100 WeakPolarHBondContact O-CB 3.34Å; V2057-V2100 PolarHBondContact O-N 3.09Å; V2057-V2102 HydrophobicContact CG2-CG2 4.08Å; V2057-F2111 HydrophobicContact CB-CE2 4.49Å; V2057-F2111 HydrophobicContact CB-CZ 4.32Å; V2057-F2111 HydrophobicContact CG1-CE2 3.81Å; V2057-F2111 HydrophobicContact CG1-CZ 3.99Å; V2057-F2111 WeakPolarHBondContact O-CZ 3.45Å; V2057-V2126 HydrophobicContact CG1-CG2 4.3Å
2058S91.5Very high79Confident34 Ų3452.7 Ų52.724%0.23831%0.309CS..EExtended strand (participates in β ladder)trans-102.1168.9170.161.90000110.6P2039 S2040 A2098P2039-S2058 CarbonylContact C-O 3.4Å; P2039-S2058 WeakPolarHBondContact CA-O 3.24Å; S2040-S2058 PolarHBondContact N-O 2.72Å; S2040-S2058 PolarHBondContact OG-N 3.49Å; S2040-S2058 PolarHBondContact OG-O 3.28Å; S2058-A2098 WeakPolarHBondContact CA-O 3.36Å; S2058-A2098 WeakPolarHBondContact CB-O 3.38Å
2059C90.7Very high79.3Confident0 Ų050.6 Ų50.60%030%0.3CS..EExtended strand (participates in β ladder)trans-136.1127176.7-166.30000111.2L2037 I2038 F2111L2037-C2059 VanDerWaalsContact CD2-SG 3.57Å; I2038-C2059 VanDerWaalsContact C-SG 3.58Å; I2038-C2059 WeakPolarHBondContact O-CA 3.28Å; C2059-F2111 HydrophobicContact CB-CB 4.23Å; C2059-F2111 HydrophobicContact CB-CD1 3.52Å; C2059-F2111 HydrophobicContact CB-CD2 3.99Å; C2059-F2111 HydrophobicContact CB-CE1 3.78Å; C2059-F2111 HydrophobicContact CB-CE2 4.22Å; C2059-F2111 HydrophobicContact CB-CG 3.63Å; C2059-F2111 HydrophobicContact CB-CZ 4.13Å
2060D91.8Very high79.8Confident42 Ų4249.5 Ų49.523%0.22529%0.286CS..EExtended strand (participates in β ladder)trans-95.1152.4173.5-78.7-36.9000110.2L2037 I2038 Y2062 K2072L2037-D2060 WeakPolarHBondContact CA-O 3.41Å; I2038-D2060 PolarHBondContact N-O 2.6Å; I2038-D2060 PolarHBondContact O-N 3.4Å; D2060-Y2062 HydrophobicContact CB-CE2 4.1Å; D2060-K2072 WeakPolarHBondContact OD1-CE 3.18Å; D2060-K2072 IonicContact OD1-NZ 2.71Å; D2060-K2072 PolarHBondContact OD1-NZ 3.07Å; D2060-K2072 VanDerWaalsContact OD1-NZ 3.11Å; D2060-K2072 VanDerWaalsContact OD2-CE 3.3Å; D2060-K2072 WeakPolarHBondContact OD2-CE 3.5Å; D2060-K2072 IonicContact OD2-NZ 3.36Å; D2060-K2072 PolarHBondContact OD2-NZ 3.17Å
2061V90.5Very high80.4Confident0 Ų050.4 Ų50.40%028%0.278CS..EExtended strand (participates in β ladder)trans-114.9129.9173.4-174.30000109.8Y2035 E2036 L2037 L2073 L2076 L2096 L2113Y2035-V2061 HydrophobicContact CD1-CG1 4.22Å; E2036-V2061 WeakPolarHBondContact O-CA 3.47Å; L2037-V2061 HydrophobicContact CD2-CG2 3.67Å; V2061-L2073 HydrophobicContact CB-CD1 4.06Å; V2061-L2073 HydrophobicContact CG1-CD1 3.6Å; V2061-L2073 WeakPolarHBondContact O-CB 3.43Å; V2061-L2073 PolarHBondContact O-N 2.96Å; V2061-L2076 HydrophobicContact CG2-CD2 4.21Å; V2061-L2096 HydrophobicContact CB-CD1 3.86Å; V2061-L2096 HydrophobicContact CG2-CD1 3.41Å; V2061-L2096 VanDerWaalsContact CG2-CD1 3.41Å; V2061-L2113 HydrophobicContact CG1-CD2 4.02Å; V2061-L2113 HydrophobicContact CG2-CD1 3.97Å
2062Y87.3Confident80.9Confident56 Ų5654 Ų5422%0.2228%0.284CS..EExtended strand (participates in β ladder)trans-110.3147171.8-74-98.6000110.5Y2035 E2036 I2038 D2060 R2070 Y2071 K2072Y2035-Y2062 CarbonylContact C-O 3.45Å; Y2035-Y2062 VanDerWaalsContact CA-O 3.26Å; Y2035-Y2062 WeakPolarHBondContact CA-O 3.21Å; E2036-Y2062 PolarHBondContact N-O 2.85Å; E2036-Y2062 PolarHBondContact O-N 3.29Å; I2038-Y2062 HydrophobicContact CD1-CD2 4.13Å; I2038-Y2062 HydrophobicContact CD1-CE2 4.11Å; I2038-Y2062 HydrophobicContact CG1-CD2 4.33Å; D2060-Y2062 HydrophobicContact CB-CE2 4.1Å; Y2062-R2070 HydrophobicContact CD1-CG 3.81Å; Y2062-R2070 HydrophobicContact CG-CG 4.28Å; Y2062-R2070 VanDerWaalsContact CG-NE 3.34Å; Y2062-Y2071 CarbonylContact C-O 3.57Å; Y2062-Y2071 VanDerWaalsContact CA-O 3.3Å; Y2062-Y2071 WeakPolarHBondContact CA-O 3.38Å; Y2062-K2072 HydrophobicContact CD1-CB 3.93Å; Y2062-K2072 HydrophobicContact CE1-CB 3.51Å; Y2062-K2072 HydrophobicContact CE1-CG 4.09Å; Y2062-K2072 HydrophobicContact CE2-CG 4.36Å
2063A82Confident81.2Confident9 Ų954.2 Ų54.27%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-121.1128.1173.600000109.6V2033 V2034 Y2035 Y2071 L2073V2033-A2063 HydrophobicContact CG1-CB 3.84Å; V2034-A2063 CarbonylContact O-C 3.56Å; V2034-A2063 WeakPolarHBondContact O-CA 3.46Å; Y2035-A2063 HydrophobicContact CD1-CB 3.81Å; Y2035-A2063 HydrophobicContact CE1-CB 3.72Å; A2063-Y2071 PolarHBondContact N-O 2.93Å; A2063-Y2071 PolarHBondContact O-N 3.34Å; A2063-L2073 HydrophobicContact CB-CD1 4.44Å; A2063-L2073 HydrophobicContact CB-CD2 4.18Å; A2063-L2073 HydrophobicContact CB-CG 4.24Å
2064T78.1Confident81.4Confident37 Ų3757.4 Ų57.423%0.22730%0.3CS..EExtended strand (participates in β ladder)trans-109.8119.9173.8-54.70000108.4V2033 V2034V2033-T2064 VanDerWaalsContact CA-O 3.32Å; V2033-T2064 WeakPolarHBondContact CA-O 3.42Å; V2034-T2064 PolarHBondContact N-O 2.94Å; V2034-T2064 PolarHBondContact O-N 3.11Å
2065S70.8Confident81.5Confident10 Ų1058 Ų587%0.0731%0.311CS..  trans-97.6175.2178.3172.20000110.1D2031 D2067 D2068D2031-S2065 PolarHBondContact OD1-OG 3.13Å; D2031-S2065 PolarHBondContact OD2-OG 3.04Å; D2031-S2065 VanDerWaalsContact OD2-OG 3.1Å; S2065-D2067 PolarHBondContact O-N 2.77Å; S2065-D2068 PolarHBondContact O-N 2.92Å
2066S68.3Low81.5Confident40 Ų4054.9 Ų54.928%0.2829%0.294SS..THydrogen-bonded Turntrans-63.9-2.9-176.7-45.90000115.4D2031 T2032D2031-S2066 WeakPolarHBondContact CA-OG 3.27Å; D2031-S2066 WeakPolarHBondContact OD1-CB 3.46Å; D2031-S2066 PolarHBondContact OD1-N 2.86Å; D2031-S2066 VanDerWaalsContact OD1-N 3.1Å; D2031-S2066 PolarHBondContact OD1-OG 3.36Å; T2032-S2066 PolarHBondContact N-OG 2.74Å
2067D68.6Low81.1Confident29 Ų2954.4 Ų54.416%0.15529%0.29CS..THydrogen-bonded Turntrans-84.47.6169.465.2-8.7000113.7N1937 I1944 S2065 K2069 Y2071N1937-D2067 WeakPolarHBondContact ND2-CB 3.46Å; N1937-D2067 PolarHBondContact ND2-OD2 3.05Å; I1944-D2067 HydrophobicContact CD1-CB 3.63Å; S2065-D2067 PolarHBondContact O-N 2.77Å; D2067-K2069 PolarHBondContact O-N 3.36Å; D2067-K2069 VanDerWaalsContact O-N 3.11Å; D2067-K2069 WeakPolarHBondContact OD1-CB 3.24Å; D2067-K2069 PolarHBondContact OD1-N 3.23Å; D2067-K2069 VanDerWaalsContact OD1-N 3.1Å; D2067-Y2071 PolarHBondContact OD2-OH 3.47Å
2068D67.5Low80.6Confident150 Ų15059.7 Ų59.780%0.80233%0.333SS*.SBendtrans55.121.4-173.6-74-24.5000113.6S2065S2065-D2068 PolarHBondContact O-N 2.92Å
2069K73.8Confident80.2Confident125 Ų12560.3 Ų60.354%0.54335%0.345SS..  trans-101.3130.9175.5-66.8177.3-173.3165.50110.4D2067 Y2071D2067-K2069 PolarHBondContact O-N 3.36Å; D2067-K2069 VanDerWaalsContact O-N 3.11Å; D2067-K2069 WeakPolarHBondContact OD1-CB 3.24Å; D2067-K2069 PolarHBondContact OD1-N 3.23Å; D2067-K2069 VanDerWaalsContact OD1-N 3.1Å; K2069-Y2071 HydrophobicContact CB-CE1 4.29Å; K2069-Y2071 HydrophobicContact CB-CE2 3.77Å; K2069-Y2071 WeakPolarHBondContact CB-OH 3.41Å; K2069-Y2071 WeakPolarHBondContact O-CD2 3.27Å; K2069-Y2071 WeakPolarHBondContact O-CE2 3.35Å
2070R78.5Confident80.1Confident111 Ų11161.6 Ų61.642%0.41935%0.352SS..EExtended strand (participates in β ladder)trans-88.9129.4177.5-168.7-177.2179.9164.912.9110.4E2036 Y2062E2036-R2070 IonicContact OE1-CZ 2.69Å; E2036-R2070 IonicContact OE1-NH1 3.52Å; E2036-R2070 IonicContact OE1-NH2 3.1Å; E2036-R2070 PolarHBondContact OE1-NH2 3.12Å; E2036-R2070 IonicContact OE2-CZ 3.88Å; E2036-R2070 VanDerWaalsContact OE2-CZ 3.28Å; E2036-R2070 IonicContact OE2-NE 3.9Å; E2036-R2070 IonicContact OE2-NH1 2.96Å; E2036-R2070 IonicContact OE2-NH2 3.16Å; E2036-R2070 PolarHBondContact OE2-NH2 3.14Å; Y2062-R2070 HydrophobicContact CD1-CG 3.81Å; Y2062-R2070 HydrophobicContact CG-CG 4.28Å; Y2062-R2070 VanDerWaalsContact CG-NE 3.34Å
2071Y80.4Confident80.1Confident57 Ų5761.2 Ų61.222%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-124.1128.3-177.6-57.5-77.6000111.4K1939 Y2062 A2063 D2067 K2069 L2073K1939-Y2071 HydrophobicContact CD-CD2 4.32Å; K1939-Y2071 HydrophobicContact CD-CE1 4.39Å; K1939-Y2071 HydrophobicContact CD-CE2 4.17Å; Y2062-Y2071 CarbonylContact C-O 3.57Å; Y2062-Y2071 VanDerWaalsContact CA-O 3.3Å; Y2062-Y2071 WeakPolarHBondContact CA-O 3.38Å; A2063-Y2071 PolarHBondContact N-O 2.93Å; A2063-Y2071 PolarHBondContact O-N 3.34Å; D2067-Y2071 PolarHBondContact OD2-OH 3.47Å; K2069-Y2071 HydrophobicContact CB-CE1 4.29Å; K2069-Y2071 HydrophobicContact CB-CE2 3.77Å; K2069-Y2071 WeakPolarHBondContact CB-OH 3.41Å; K2069-Y2071 WeakPolarHBondContact O-CD2 3.27Å; K2069-Y2071 WeakPolarHBondContact O-CE2 3.35Å; Y2071-L2073 PolarHBondContact O-N 3.31Å
2072K84.9Confident80.3Confident107 Ų10761.3 Ų61.347%0.46535%0.353SS..EExtended strand (participates in β ladder)trans-71.8125.8170.8-172.3172.9176.8165.50109.5D2060 Y2062D2060-K2072 WeakPolarHBondContact OD1-CE 3.18Å; D2060-K2072 IonicContact OD1-NZ 2.71Å; D2060-K2072 PolarHBondContact OD1-NZ 3.07Å; D2060-K2072 VanDerWaalsContact OD1-NZ 3.11Å; D2060-K2072 VanDerWaalsContact OD2-CE 3.3Å; D2060-K2072 WeakPolarHBondContact OD2-CE 3.5Å; D2060-K2072 IonicContact OD2-NZ 3.36Å; D2060-K2072 PolarHBondContact OD2-NZ 3.17Å; Y2062-K2072 HydrophobicContact CD1-CB 3.93Å; Y2062-K2072 HydrophobicContact CE1-CB 3.51Å; Y2062-K2072 HydrophobicContact CE1-CG 4.09Å; Y2062-K2072 HydrophobicContact CE2-CG 4.36Å
2073L83.4Confident80.6Confident34 Ų3460.3 Ų60.318%0.17835%0.35CS..  trans-75.5137173.6-67.6174.1000109.9Y2035 V2061 A2063 Y2071 L2096Y2035-L2073 HydrophobicContact CD1-CD1 3.84Å; Y2035-L2073 HydrophobicContact CE1-CD1 3.79Å; V2061-L2073 HydrophobicContact CB-CD1 4.06Å; V2061-L2073 HydrophobicContact CG1-CD1 3.6Å; V2061-L2073 WeakPolarHBondContact O-CB 3.43Å; V2061-L2073 PolarHBondContact O-N 2.96Å; A2063-L2073 HydrophobicContact CB-CD1 4.44Å; A2063-L2073 HydrophobicContact CB-CD2 4.18Å; A2063-L2073 HydrophobicContact CB-CG 4.24Å; Y2071-L2073 PolarHBondContact O-N 3.31Å; L2073-L2096 HydrophobicContact CB-CD2 4.31Å; L2073-L2096 VanDerWaalsContact O-CD2 3.29Å; L2073-L2096 WeakPolarHBondContact O-CD2 3.31Å
2074T81.8Confident81.2Confident141 Ų14162.3 Ų62.387%0.86536%0.355SS*.SBendtrans-101.2-15.617252.10000112.4
2075A82.2Confident81.7Confident67 Ų6760.8 Ų60.855%0.55435%0.347SS*.SBendtrans-148147.917300000108.8
2076L83.7Confident82.4Confident49 Ų4964.6 Ų64.626%0.25736%0.363SS..PPolyproline II helixtrans-74.6138.1175.2-70.3172.6000110.1V2061 I2080 L2082 L2096 L2113V2061-L2076 HydrophobicContact CG2-CD2 4.21Å; L2076-I2080 HydrophobicContact CD2-CG2 4.19Å; L2076-L2082 HydrophobicContact CD1-CB 3.88Å; L2076-L2096 HydrophobicContact CD2-CD1 4.17Å; L2076-L2096 HydrophobicContact CG-CD1 4.43Å; L2076-L2113 HydrophobicContact CD2-CD1 3.81Å
2077P79.1Confident83Confident45 Ų4565.8 Ų65.829%0.29237%0.371SS..PPolyproline II helixtrans-57.2149.4169.9-22.833.4000111.7Y2035 G2079 I2080Y2035-P2077 HydrophobicContact CE1-CG 4.3Å; P2077-G2079 PolarHBondContact O-N 2.77Å; P2077-I2080 HydrophobicContact CB-CD1 4.04Å; P2077-I2080 HydrophobicContact CB-CG1 4.42Å; P2077-I2080 HydrophobicContact CG-CD1 3.99Å; P2077-I2080 PolarHBondContact O-N 3.48Å
2078A77.5Confident83.4Confident110 Ų11070.7 Ų70.791%0.90939%0.393SS*.THydrogen-bonded Turntrans-55.5132.9178.400000111.2I2080A2078-I2080 VanDerWaalsContact C-N 3.33Å
2079G82.2Confident84.1Confident47 Ų4768.4 Ų68.449%0.48538%0.381SS..THydrogen-bonded Turntrans88-14.9-177.300000115P2077 D2115 S2116P2077-G2079 PolarHBondContact O-N 2.77Å; G2079-D2115 CarbonylContact O-C 3.6Å; G2079-D2115 VanDerWaalsContact O-C 3.27Å; G2079-S2116 WeakPolarHBondContact O-CA 3.28Å; G2079-S2116 PolarHBondContact O-N 2.91Å; G2079-S2116 VanDerWaalsContact O-N 3.08Å
2080I90.6Very high84.7Confident28 Ų2862.5 Ų62.514%0.14436%0.355CS..  trans-92134.6176.2-61-176.3000110.2Y2035 L2076 P2077 A2078 L2113 Y2114 L2121Y2035-I2080 HydrophobicContact CD2-CD1 4.42Å; Y2035-I2080 HydrophobicContact CE2-CD1 3.84Å; L2076-I2080 HydrophobicContact CD2-CG2 4.19Å; P2077-I2080 HydrophobicContact CB-CD1 4.04Å; P2077-I2080 HydrophobicContact CB-CG1 4.42Å; P2077-I2080 HydrophobicContact CG-CD1 3.99Å; P2077-I2080 PolarHBondContact O-N 3.48Å; A2078-I2080 VanDerWaalsContact C-N 3.33Å; I2080-L2113 HydrophobicContact CG2-CD1 3.73Å; I2080-L2113 HydrophobicContact CG2-CD2 3.89Å; I2080-L2113 HydrophobicContact CG2-CG 3.64Å; I2080-Y2114 CarbonylContact C-O 3.54Å; I2080-Y2114 VanDerWaalsContact CA-O 3.24Å; I2080-Y2114 WeakPolarHBondContact CA-O 3.35Å; I2080-Y2114 WeakPolarHBondContact CG2-O 3.04Å; I2080-L2121 HydrophobicContact CD1-CD1 3.95Å; I2080-L2121 HydrophobicContact CG1-CD1 4.25Å; I2080-L2121 HydrophobicContact CG2-CD1 4.23Å
2081S91.1Very high85Confident33 Ų3362.1 Ų62.123%0.23137%0.366CS..EExtended strand (participates in β ladder)trans-128.5137.9178.861.40000112.7L2113 Y2114S2081-L2113 WeakPolarHBondContact O-CA 3.34Å; S2081-Y2114 PolarHBondContact N-O 2.66Å; S2081-Y2114 PolarHBondContact O-N 3.19Å
2082L93.9Very high85.5Confident3 Ų365.4 Ų65.42%0.01638%0.381CS..EExtended strand (participates in β ladder)trans-98.7129.4174.5176.564.6000109.5L2037 L2076 L2094 L2096 L2113L2037-L2082 HydrophobicContact CD2-CD1 3.44Å; L2037-L2082 VanDerWaalsContact CD2-CD1 3.44Å; L2076-L2082 HydrophobicContact CD1-CB 3.88Å; L2082-L2094 HydrophobicContact CD2-CB 4.45Å; L2082-L2094 HydrophobicContact CD2-CD2 4.24Å; L2082-L2094 HydrophobicContact CG-CB 4.28Å; L2082-L2094 PolarHBondContact O-N 3.48Å; L2082-L2096 HydrophobicContact CD2-CD1 4.18Å; L2082-L2113 HydrophobicContact CB-CD1 4.02Å; L2082-L2113 HydrophobicContact CD1-CD1 4.18Å
2083K94.3Very high85.7Confident35 Ų3566 Ų6615%0.15239%0.389CS..EExtended strand (participates in β ladder)trans-128.2158.2179.4-54.1-171.3-175.3171.80111.7A2090 K2092 D2093 F2111 A2112 Y2114K2083-A2090 HydrophobicContact CB-CB 4.32Å; K2083-K2092 CarbonylContact C-O 3.55Å; K2083-K2092 WeakPolarHBondContact CA-O 3.34Å; K2083-K2092 WeakPolarHBondContact CB-O 3.4Å; K2083-D2093 WeakPolarHBondContact CE-OD1 3.39Å; K2083-D2093 WeakPolarHBondContact CG-OD1 3.28Å; K2083-F2111 CarbonylContact O-C 3.58Å; K2083-F2111 WeakPolarHBondContact O-CA 3.2Å; K2083-A2112 PolarHBondContact N-O 3.01Å; K2083-A2112 PolarHBondContact O-N 2.95Å; K2083-Y2114 HydrophobicContact CB-CD2 4.31Å; K2083-Y2114 HydrophobicContact CB-CE2 3.98Å; K2083-Y2114 HydrophobicContact CD-CD2 3.79Å; K2083-Y2114 HydrophobicContact CD-CE2 3.69Å; K2083-Y2114 HydrophobicContact CG-CD2 3.89Å; K2083-Y2114 HydrophobicContact CG-CE2 3.95Å
2084Y94.1Very high86Confident50 Ų5065.2 Ų65.220%0.19639%0.385CS..EExtended strand (participates in β ladder)trans-132.1163.8173.984.5-80.2000113.3A2090 T2091 K2092 L2094 V2100 T2110Y2084-A2090 VanDerWaalsContact C-CA 3.48Å; Y2084-T2091 PolarHBondContact O-N 2.83Å; Y2084-K2092 HydrophobicContact CD1-CB 3.81Å; Y2084-K2092 VanDerWaalsContact CD1-O 3.3Å; Y2084-K2092 WeakPolarHBondContact CD1-O 3.48Å; Y2084-K2092 HydrophobicContact CE1-CB 3.53Å; Y2084-K2092 HydrophobicContact CE1-CD 4.14Å; Y2084-K2092 HydrophobicContact CE2-CD 4.34Å; Y2084-K2092 PolarHBondContact N-O 3.03Å; Y2084-K2092 PolarHBondContact O-N 3.35Å; Y2084-L2094 HydrophobicContact CD1-CB 4.02Å; Y2084-L2094 HydrophobicContact CD1-CD1 4.01Å; Y2084-L2094 HydrophobicContact CD1-CG 4.46Å; Y2084-L2094 HydrophobicContact CE1-CD1 4.28Å; Y2084-V2100 HydrophobicContact CD1-CG2 4.09Å; Y2084-V2100 HydrophobicContact CD2-CB 4.17Å; Y2084-V2100 HydrophobicContact CD2-CG1 3.42Å; Y2084-V2100 VanDerWaalsContact CD2-CG1 3.42Å; Y2084-V2100 HydrophobicContact CD2-CG2 3.58Å; Y2084-V2100 HydrophobicContact CE1-CG2 4.43Å; Y2084-V2100 HydrophobicContact CE2-CB 4.38Å; Y2084-V2100 HydrophobicContact CE2-CG1 3.46Å; Y2084-V2100 VanDerWaalsContact CE2-CG1 3.46Å; Y2084-V2100 HydrophobicContact CE2-CG2 3.99Å; Y2084-V2100 HydrophobicContact CG-CG1 4.34Å; Y2084-V2100 HydrophobicContact CG-CG2 3.63Å; Y2084-T2110 CarbonylContact C-O 3.6Å; Y2084-T2110 WeakPolarHBondContact CA-O 3.48Å
2085G89.7Confident86.2Confident6 Ų662 Ų626%0.06237%0.372CS..EExtended strand (participates in β ladder)trans-159.9156.7174.100000112.8S2087 V2109 T2110G2085-S2087 VanDerWaalsContact C-N 3.31Å; G2085-V2109 CarbonylContact O-C 3.46Å; G2085-V2109 WeakPolarHBondContact O-CA 3.3Å; G2085-T2110 PolarHBondContact N-O 3.29Å; G2085-T2110 PolarHBondContact O-N 2.85Å
2086K85.6Confident86.4Confident89 Ų8961 Ų6139%0.38736%0.358SS..SBendtrans-95.918.6177-62.4-168.3166.5-153.50113.5D2101 D2106 M2108K2086-D2101 WeakPolarHBondContact CE-O 3.32Å; K2086-D2101 PolarHBondContact NZ-O 3.42Å; K2086-D2106 WeakPolarHBondContact CD-OD1 3.48Å; K2086-D2106 WeakPolarHBondContact CE-OD2 3.45Å; K2086-D2106 IonicContact NZ-OD1 3.99Å; K2086-D2106 PolarHBondContact NZ-OD1 3.13Å; K2086-D2106 IonicContact NZ-OD2 2.68Å; K2086-D2106 PolarHBondContact NZ-OD2 3.4Å; K2086-M2108 CarbonylContact C-O 3.58Å; K2086-M2108 WeakPolarHBondContact CA-O 3.47Å
2087S80Confident86.2Confident66 Ų6660.6 Ų60.646%0.46237%0.366SS..SBendtrans-137-173174.663.80000107.7G2085 N2089 T2110G2085-S2087 VanDerWaalsContact C-N 3.31Å; S2087-N2089 PolarHBondContact O-N 3.24Å; S2087-N2089 VanDerWaalsContact O-N 3.07Å; S2087-T2110 WeakPolarHBondContact O-CB 3.35Å; S2087-T2110 PolarHBondContact O-OG1 2.89Å
2088E77.8Confident86.6Confident132 Ų13260.2 Ų60.262%0.61737%0.367SS*.SBendtrans-60.4-17.3176.5-71.4-176.9164.500113.6M2108 K2123E2088-M2108 HydrophobicContact CG-CE 4.36Å; E2088-M2108 HydrophobicContact CG-SD 3.89Å; E2088-K2123 WeakPolarHBondContact O-CE 3.45Å; E2088-K2123 PolarHBondContact O-NZ 3.14Å
2089N82.3Confident87.1Confident101 Ų10157.2 Ų57.254%0.5435%0.346SS..  trans-110.5121.5-175.7-65.7-30.3000111.6S2087 T2091S2087-N2089 PolarHBondContact O-N 3.24Å; S2087-N2089 VanDerWaalsContact O-N 3.07Å; N2089-T2091 HydrophobicContact CB-CG2 4.39Å
2090A85.5Confident87.3Confident1 Ų155.2 Ų55.21%0.00833%0.325CS..  trans-88.3108.7174.200000110.7K2083 Y2084 T2110 A2112 Y2114K2083-A2090 HydrophobicContact CB-CB 4.32Å; Y2084-A2090 VanDerWaalsContact C-CA 3.48Å; A2090-T2110 HydrophobicContact CB-CG2 4.2Å; A2090-A2112 HydrophobicContact CB-CB 3.75Å; A2090-Y2114 PolarHBondContact O-OH 3.46Å; A2090-Y2114 VanDerWaalsContact O-OH 3.04Å
2091T85.8Confident87.2Confident104 Ų10459.5 Ų59.564%0.63835%0.348SS*.  trans-124-10.2-172.3560000114.3Y2084 N2089Y2084-T2091 PolarHBondContact O-N 2.83Å; N2089-T2091 HydrophobicContact CB-CG2 4.39Å
2092K89.3Confident86.8Confident125 Ų12558.3 Ų58.354%0.54334%0.339SS..EExtended strand (participates in β ladder)trans-102.4127.9-179.6-68.3-176.7177.2-177.90111K2083 Y2084K2083-K2092 CarbonylContact C-O 3.55Å; K2083-K2092 WeakPolarHBondContact CA-O 3.34Å; K2083-K2092 WeakPolarHBondContact CB-O 3.4Å; Y2084-K2092 HydrophobicContact CD1-CB 3.81Å; Y2084-K2092 VanDerWaalsContact CD1-O 3.3Å; Y2084-K2092 WeakPolarHBondContact CD1-O 3.48Å; Y2084-K2092 HydrophobicContact CE1-CB 3.53Å; Y2084-K2092 HydrophobicContact CE1-CD 4.14Å; Y2084-K2092 HydrophobicContact CE2-CD 4.34Å; Y2084-K2092 PolarHBondContact N-O 3.03Å; Y2084-K2092 PolarHBondContact O-N 3.35Å
2093D89Confident86.2Confident119 Ų11961.4 Ų61.464%0.63636%0.358SS*.EExtended strand (participates in β ladder)trans-60.9141.2177.9-59.5-41000112.2K2083K2083-D2093 WeakPolarHBondContact CE-OD1 3.39Å; K2083-D2093 WeakPolarHBondContact CG-OD1 3.28Å
2094L90.1Very high85.3Confident19 Ų1962.6 Ų62.610%0.09937%0.371CS..  trans-132126.5179.4-17070.1000109.4L2082 Y2084 A2098 V2100 F2111L2082-L2094 HydrophobicContact CD2-CB 4.45Å; L2082-L2094 HydrophobicContact CD2-CD2 4.24Å; L2082-L2094 HydrophobicContact CG-CB 4.28Å; L2082-L2094 PolarHBondContact O-N 3.48Å; Y2084-L2094 HydrophobicContact CD1-CB 4.02Å; Y2084-L2094 HydrophobicContact CD1-CD1 4.01Å; Y2084-L2094 HydrophobicContact CD1-CG 4.46Å; Y2084-L2094 HydrophobicContact CE1-CD1 4.28Å; L2094-A2098 HydrophobicContact CD1-CB 3.73Å; L2094-A2098 HydrophobicContact CG-CB 4.14Å; L2094-V2100 HydrophobicContact CD1-CG2 3.88Å; L2094-V2100 HydrophobicContact CD2-CG2 4.03Å; L2094-F2111 HydrophobicContact CD2-CD1 3.73Å; L2094-F2111 HydrophobicContact CD2-CE1 3.47Å; L2094-F2111 VanDerWaalsContact CD2-CE1 3.47Å
2095A86.7Confident84.5Confident72 Ų7267 Ų6760%0.59540%0.398SS*.  trans-66141170.600000110.1G2097 A2098A2095-G2097 PolarHBondContact O-N 3.3Å; A2095-A2098 HydrophobicContact CB-CB 4.3Å; A2095-A2098 VanDerWaalsContact O-CB 3.25Å; A2095-A2098 WeakPolarHBondContact O-CB 3.34Å; A2095-A2098 PolarHBondContact O-N 3.17Å
2096L86.9Confident84.2Confident46 Ų4668 Ų6824%0.24140%0.402CS..THydrogen-bonded Turntrans-53.7123.7179.1-164.275.1000110.5V2061 L2073 L2076 L2082V2061-L2096 HydrophobicContact CB-CD1 3.86Å; V2061-L2096 HydrophobicContact CG2-CD1 3.41Å; V2061-L2096 VanDerWaalsContact CG2-CD1 3.41Å; L2073-L2096 HydrophobicContact CB-CD2 4.31Å; L2073-L2096 VanDerWaalsContact O-CD2 3.29Å; L2073-L2096 WeakPolarHBondContact O-CD2 3.31Å; L2076-L2096 HydrophobicContact CD2-CD1 4.17Å; L2076-L2096 HydrophobicContact CG-CD1 4.43Å; L2082-L2096 HydrophobicContact CD2-CD1 4.18Å
2097G79.5Confident84Confident41 Ų4171.8 Ų71.842%0.42342%0.418SS..THydrogen-bonded Turntrans83.9-2.5-177.200000116.5A2095A2095-G2097 PolarHBondContact O-N 3.3Å
2098A87.2Confident84.3Confident38 Ų3870.8 Ų70.831%0.31441%0.407SS..  trans-73142.9174.800000112S2058 L2094 A2095S2058-A2098 WeakPolarHBondContact CA-O 3.36Å; S2058-A2098 WeakPolarHBondContact CB-O 3.38Å; L2094-A2098 HydrophobicContact CD1-CB 3.73Å; L2094-A2098 HydrophobicContact CG-CB 4.14Å; A2095-A2098 HydrophobicContact CB-CB 4.3Å; A2095-A2098 VanDerWaalsContact O-CB 3.25Å; A2095-A2098 WeakPolarHBondContact O-CB 3.34Å; A2095-A2098 PolarHBondContact O-N 3.17Å
2099G86.8Confident84.9Confident47 Ų4764.5 Ų64.549%0.48538%0.378SS..EExtended strand (participates in β ladder)trans-88.7145.8179.600000113.6
2100V88Confident85.4Confident5 Ų559.7 Ų59.73%0.0335%0.352CS..EExtended strand (participates in β ladder)trans-112.5120.7176.11780000109.4S2056 V2057 Y2084 L2094 V2109 F2111S2056-V2100 CarbonylContact C-O 3.48Å; S2056-V2100 WeakPolarHBondContact CA-O 3.46Å; V2057-V2100 PolarHBondContact N-O 3.35Å; V2057-V2100 WeakPolarHBondContact O-CB 3.34Å; V2057-V2100 PolarHBondContact O-N 3.09Å; Y2084-V2100 HydrophobicContact CD1-CG2 4.09Å; Y2084-V2100 HydrophobicContact CD2-CB 4.17Å; Y2084-V2100 HydrophobicContact CD2-CG1 3.42Å; Y2084-V2100 VanDerWaalsContact CD2-CG1 3.42Å; Y2084-V2100 HydrophobicContact CD2-CG2 3.58Å; Y2084-V2100 HydrophobicContact CE1-CG2 4.43Å; Y2084-V2100 HydrophobicContact CE2-CB 4.38Å; Y2084-V2100 HydrophobicContact CE2-CG1 3.46Å; Y2084-V2100 VanDerWaalsContact CE2-CG1 3.46Å; Y2084-V2100 HydrophobicContact CE2-CG2 3.99Å; Y2084-V2100 HydrophobicContact CG-CG1 4.34Å; Y2084-V2100 HydrophobicContact CG-CG2 3.63Å; L2094-V2100 HydrophobicContact CD1-CG2 3.88Å; L2094-V2100 HydrophobicContact CD2-CG2 4.03Å; V2100-V2109 HydrophobicContact CB-CG1 4.31Å; V2100-V2109 HydrophobicContact CG1-CG1 3.93Å; V2100-F2111 HydrophobicContact CB-CZ 4.42Å; V2100-F2111 HydrophobicContact CG2-CE1 3.75Å; V2100-F2111 HydrophobicContact CG2-CZ 4.1Å
2101D87.5Confident85.8Confident117 Ų11759.7 Ų59.763%0.62635%0.351SS*.EExtended strand (participates in β ladder)trans-72.2139.6-178.1-64-30.3000113.2N2055 K2086N2055-D2101 WeakPolarHBondContact O-CA 3.39Å; K2086-D2101 WeakPolarHBondContact CE-O 3.32Å; K2086-D2101 PolarHBondContact NZ-O 3.42Å
2102V83.1Confident86.2Confident9 Ų954.8 Ų54.86%0.05532%0.321CS..  trans-119.1135.4-177.9-1720000111I2044 N2055 V2057 D2106 V2109 V2128I2044-V2102 HydrophobicContact CD1-CB 4.46Å; I2044-V2102 HydrophobicContact CD1-CG1 3.92Å; I2044-V2102 HydrophobicContact CD1-CG2 3.89Å; I2044-V2102 HydrophobicContact CG1-CG1 4.3Å; I2044-V2102 HydrophobicContact CG1-CG2 4.43Å; I2044-V2102 HydrophobicContact CG2-CG1 4.15Å; N2055-V2102 PolarHBondContact O-N 3.36Å; V2057-V2102 HydrophobicContact CG2-CG2 4.08Å; V2102-D2106 WeakPolarHBondContact CA-OD2 3.26Å; V2102-D2106 HydrophobicContact CG1-CB 4.31Å; V2102-V2109 HydrophobicContact CG2-CG2 3.74Å; V2102-V2128 HydrophobicContact CG1-CG2 3.84Å
2103T81.4Confident86.4Confident67 Ų6748.8 Ų48.841%0.41130%0.296SS..  trans-117.3165.5171.967.70000111.6D2105 D2106T2103-D2105 PolarHBondContact O-N 3.47Å; T2103-D2105 VanDerWaalsContact O-N 3.13Å; T2103-D2106 PolarHBondContact N-OD2 3.31Å; T2103-D2106 WeakPolarHBondContact O-CB 3.1Å; T2103-D2106 PolarHBondContact O-N 3.43Å; T2103-D2106 VanDerWaalsContact O-N 3.1Å; T2103-D2106 PolarHBondContact OG1-OD2 2.97Å
2104S75.2Confident86.5Confident60 Ų6044.7 Ų44.742%0.4227%0.271SS..THydrogen-bonded Turntrans-62.5-15.5176.956.20000114.5
2105D78Confident86.2Confident143 Ų14345.4 Ų45.477%0.76528%0.275SS*.THydrogen-bonded Turntrans-87.6-16.5178.6-60.5-27.5000112.3T2103T2103-D2105 PolarHBondContact O-N 3.47Å; T2103-D2105 VanDerWaalsContact O-N 3.13Å
2106D82.1Confident86Confident26 Ų2646.1 Ų46.114%0.13928%0.276CS..  trans-73.3141.8177.9-63.8-34.7000109.8K2086 V2102 T2103 V2128K2086-D2106 WeakPolarHBondContact CD-OD1 3.48Å; K2086-D2106 WeakPolarHBondContact CE-OD2 3.45Å; K2086-D2106 IonicContact NZ-OD1 3.99Å; K2086-D2106 PolarHBondContact NZ-OD1 3.13Å; K2086-D2106 IonicContact NZ-OD2 2.68Å; K2086-D2106 PolarHBondContact NZ-OD2 3.4Å; V2102-D2106 WeakPolarHBondContact CA-OD2 3.26Å; V2102-D2106 HydrophobicContact CG1-CB 4.31Å; T2103-D2106 PolarHBondContact N-OD2 3.31Å; T2103-D2106 WeakPolarHBondContact O-CB 3.1Å; T2103-D2106 PolarHBondContact O-N 3.43Å; T2103-D2106 VanDerWaalsContact O-N 3.1Å; T2103-D2106 PolarHBondContact OG1-OD2 2.97Å; D2106-V2128 HydrophobicContact CB-CG2 4.22Å; D2106-V2128 WeakPolarHBondContact O-CB 3.45Å; D2106-V2128 VanDerWaalsContact O-CG1 3.24Å; D2106-V2128 WeakPolarHBondContact O-CG1 3.47Å; D2106-V2128 WeakPolarHBondContact O-CG2 3.37Å
2107K81Confident85.8Confident170 Ų17049.6 Ų49.674%0.73930%0.295SS*.  trans-94.5-27175.9-66.7-174.9178.6-178.10112.8V2128K2107-V2128 PolarHBondContact O-N 3.19Å
2108M87.3Confident85.8Confident45 Ų4552.5 Ų52.522%0.22230%0.301CS..EExtended strand (participates in β ladder)trans-167.9161.7-178.557.4-179.85600111.3K2086 E2088 V2126K2086-M2108 CarbonylContact C-O 3.58Å; K2086-M2108 WeakPolarHBondContact CA-O 3.47Å; E2088-M2108 HydrophobicContact CG-CE 4.36Å; E2088-M2108 HydrophobicContact CG-SD 3.89Å; M2108-V2126 CarbonylContact C-O 3.46Å; M2108-V2126 WeakPolarHBondContact CA-O 3.4Å; M2108-V2126 WeakPolarHBondContact CB-O 3.11Å
2109V89.9Confident85.7Confident0 Ų055.1 Ų55.10%031%0.309CS..EExtended strand (participates in β ladder)trans-121.1124.5163.2-178.90000108.4G2085 V2100 V2102 F2111 S2125 V2126G2085-V2109 CarbonylContact O-C 3.46Å; G2085-V2109 WeakPolarHBondContact O-CA 3.3Å; V2100-V2109 HydrophobicContact CB-CG1 4.31Å; V2100-V2109 HydrophobicContact CG1-CG1 3.93Å; V2102-V2109 HydrophobicContact CG2-CG2 3.74Å; V2109-F2111 HydrophobicContact CG1-CD2 4.45Å; V2109-F2111 HydrophobicContact CG1-CE1 4.47Å; V2109-F2111 HydrophobicContact CG1-CE2 3.74Å; V2109-F2111 HydrophobicContact CG1-CZ 3.76Å; V2109-S2125 CarbonylContact O-C 3.43Å; V2109-V2126 PolarHBondContact N-O 3.46Å; V2109-V2126 PolarHBondContact O-N 2.85Å
2110T92.5Very high85.7Confident0 Ų057.1 Ų57.10%031%0.308CS..EExtended strand (participates in β ladder)trans-110.8133.4179-580000109.8Y2084 G2085 S2087 A2090 K2123 E2124 S2125Y2084-T2110 CarbonylContact C-O 3.6Å; Y2084-T2110 WeakPolarHBondContact CA-O 3.48Å; G2085-T2110 PolarHBondContact N-O 3.29Å; G2085-T2110 PolarHBondContact O-N 2.85Å; S2087-T2110 WeakPolarHBondContact O-CB 3.35Å; S2087-T2110 PolarHBondContact O-OG1 2.89Å; A2090-T2110 HydrophobicContact CB-CG2 4.2Å; T2110-K2123 HydrophobicContact CG2-CD 4.29Å; T2110-K2123 VanDerWaalsContact CG2-CE 3.42Å; T2110-K2123 HydrophobicContact CG2-CG 3.86Å; T2110-E2124 CarbonylContact C-O 3.47Å; T2110-E2124 WeakPolarHBondContact CA-O 3.49Å; T2110-S2125 WeakPolarHBondContact CG2-OG 3.32Å; T2110-S2125 PolarHBondContact OG1-OG 3.16Å
2111F95.5Very high85.5Confident0 Ų060.5 Ų60.50%033%0.326CS..EExtended strand (participates in β ladder)trans-110142.7168.8-59-85.9000109.2L2037 P2039 V2057 C2059 K2083 L2094 V2100 V2109 K2123 E2124 V2126L2037-F2111 HydrophobicContact CD1-CB 4.27Å; P2039-F2111 HydrophobicContact CB-CD2 4.41Å; P2039-F2111 HydrophobicContact CB-CE2 4.28Å; P2039-F2111 HydrophobicContact CG-CD2 4.31Å; V2057-F2111 HydrophobicContact CB-CE2 4.49Å; V2057-F2111 HydrophobicContact CB-CZ 4.32Å; V2057-F2111 HydrophobicContact CG1-CE2 3.81Å; V2057-F2111 HydrophobicContact CG1-CZ 3.99Å; V2057-F2111 WeakPolarHBondContact O-CZ 3.45Å; C2059-F2111 HydrophobicContact CB-CB 4.23Å; C2059-F2111 HydrophobicContact CB-CD1 3.52Å; C2059-F2111 HydrophobicContact CB-CD2 3.99Å; C2059-F2111 HydrophobicContact CB-CE1 3.78Å; C2059-F2111 HydrophobicContact CB-CE2 4.22Å; C2059-F2111 HydrophobicContact CB-CG 3.63Å; C2059-F2111 HydrophobicContact CB-CZ 4.13Å; K2083-F2111 CarbonylContact O-C 3.58Å; K2083-F2111 WeakPolarHBondContact O-CA 3.2Å; L2094-F2111 HydrophobicContact CD2-CD1 3.73Å; L2094-F2111 HydrophobicContact CD2-CE1 3.47Å; L2094-F2111 VanDerWaalsContact CD2-CE1 3.47Å; V2100-F2111 HydrophobicContact CB-CZ 4.42Å; V2100-F2111 HydrophobicContact CG2-CE1 3.75Å; V2100-F2111 HydrophobicContact CG2-CZ 4.1Å; V2109-F2111 HydrophobicContact CG1-CD2 4.45Å; V2109-F2111 HydrophobicContact CG1-CE1 4.47Å; V2109-F2111 HydrophobicContact CG1-CE2 3.74Å; V2109-F2111 HydrophobicContact CG1-CZ 3.76Å; F2111-K2123 CarbonylContact O-C 3.52Å; F2111-K2123 VanDerWaalsContact O-CA 3.28Å; F2111-K2123 WeakPolarHBondContact O-CA 3.4Å; F2111-E2124 PolarHBondContact N-O 3.44Å; F2111-E2124 PolarHBondContact O-N 3.34Å; F2111-V2126 HydrophobicContact CE2-CG2 4.46Å
2112A94Very high85.7Confident1 Ų156.9 Ų56.91%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-143.5140.217300000111.2K2083 A2090 Y2114 D2122 K2123K2083-A2112 PolarHBondContact N-O 3.01Å; K2083-A2112 PolarHBondContact O-N 2.95Å; A2090-A2112 HydrophobicContact CB-CB 3.75Å; A2112-Y2114 HydrophobicContact CB-CD2 4.41Å; A2112-Y2114 HydrophobicContact CB-CE2 3.72Å; A2112-D2122 CarbonylContact C-O 3.55Å; A2112-D2122 VanDerWaalsContact CA-O 3.27Å; A2112-D2122 WeakPolarHBondContact CA-O 3.06Å; A2112-K2123 HydrophobicContact CB-CB 4.23Å; A2112-K2123 HydrophobicContact CB-CG 4.24Å
2113L93.3Very high86.1Confident0 Ų060.4 Ų60.40%032%0.321CS..EExtended strand (participates in β ladder)trans-102.2130.6175.7-162.476.2000108.4Y2035 L2037 V2061 L2076 I2080 S2081 L2082 I2120 L2121 D2122Y2035-L2113 HydrophobicContact CG-CD2 4.14Å; L2037-L2113 HydrophobicContact CD1-CB 4.19Å; L2037-L2113 HydrophobicContact CD2-CB 4.37Å; L2037-L2113 HydrophobicContact CG-CB 4.36Å; V2061-L2113 HydrophobicContact CG1-CD2 4.02Å; V2061-L2113 HydrophobicContact CG2-CD1 3.97Å; L2076-L2113 HydrophobicContact CD2-CD1 3.81Å; I2080-L2113 HydrophobicContact CG2-CD1 3.73Å; I2080-L2113 HydrophobicContact CG2-CD2 3.89Å; I2080-L2113 HydrophobicContact CG2-CG 3.64Å; S2081-L2113 WeakPolarHBondContact O-CA 3.34Å; L2082-L2113 HydrophobicContact CB-CD1 4.02Å; L2082-L2113 HydrophobicContact CD1-CD1 4.18Å; L2113-I2120 CarbonylContact O-C 3.47Å; L2113-I2120 WeakPolarHBondContact O-CA 3.25Å; L2113-L2121 HydrophobicContact CB-CB 4.34Å; L2113-L2121 HydrophobicContact CD2-CB 4.26Å; L2113-L2121 HydrophobicContact CD2-CD1 4.06Å; L2113-L2121 HydrophobicContact CG-CD1 4.38Å; L2113-L2121 PolarHBondContact O-N 3.46Å; L2113-D2122 PolarHBondContact N-O 3.39Å
2114Y90.6Very high86.6Confident32 Ų3261.4 Ų61.413%0.12532%0.321CS..EExtended strand (participates in β ladder)trans-117142.7-178.3-67.8-91.9000111.2I2080 S2081 K2083 A2090 A2112 N2118 N2119 I2120I2080-Y2114 CarbonylContact C-O 3.54Å; I2080-Y2114 VanDerWaalsContact CA-O 3.24Å; I2080-Y2114 WeakPolarHBondContact CA-O 3.35Å; I2080-Y2114 WeakPolarHBondContact CG2-O 3.04Å; S2081-Y2114 PolarHBondContact N-O 2.66Å; S2081-Y2114 PolarHBondContact O-N 3.19Å; K2083-Y2114 HydrophobicContact CB-CD2 4.31Å; K2083-Y2114 HydrophobicContact CB-CE2 3.98Å; K2083-Y2114 HydrophobicContact CD-CD2 3.79Å; K2083-Y2114 HydrophobicContact CD-CE2 3.69Å; K2083-Y2114 HydrophobicContact CG-CD2 3.89Å; K2083-Y2114 HydrophobicContact CG-CE2 3.95Å; A2090-Y2114 PolarHBondContact O-OH 3.46Å; A2090-Y2114 VanDerWaalsContact O-OH 3.04Å; A2112-Y2114 HydrophobicContact CB-CD2 4.41Å; A2112-Y2114 HydrophobicContact CB-CE2 3.72Å; Y2114-N2118 VanDerWaalsContact CD1-O 3.31Å; Y2114-N2118 WeakPolarHBondContact CD1-O 3.44Å; Y2114-N2119 CarbonylContact C-O 3.59Å; Y2114-N2119 VanDerWaalsContact CA-O 3.23Å; Y2114-N2119 WeakPolarHBondContact CA-O 3.46Å; Y2114-I2120 HydrophobicContact CD1-CG1 3.95Å; Y2114-I2120 HydrophobicContact CE1-CD1 4.24Å; Y2114-I2120 HydrophobicContact CE1-CG1 3.42Å; Y2114-I2120 VanDerWaalsContact CE1-CG1 3.42Å
2115D84.8Confident87.3Confident34 Ų3460.5 Ų60.518%0.18231%0.314CS..  trans-76.4-177.8167.274.66.7000112.1G2079 N2117 N2118 N2119 L2121G2079-D2115 CarbonylContact O-C 3.6Å; G2079-D2115 VanDerWaalsContact O-C 3.27Å; D2115-N2117 PolarHBondContact O-N 2.8Å; D2115-N2117 VanDerWaalsContact OD1-C 3.3Å; D2115-N2117 VanDerWaalsContact OD1-CA 3.31Å; D2115-N2117 WeakPolarHBondContact OD1-CA 3.34Å; D2115-N2117 WeakPolarHBondContact OD1-CB 3.32Å; D2115-N2117 PolarHBondContact OD1-N 3.49Å; D2115-N2118 PolarHBondContact O-N 3.41Å; D2115-N2118 VanDerWaalsContact O-N 3.13Å; D2115-N2118 PolarHBondContact OD1-N 2.71Å; D2115-N2119 PolarHBondContact N-O 2.81Å; D2115-N2119 PolarHBondContact OD1-N 2.91Å; D2115-N2119 WeakPolarHBondContact OD2-CB 3.49Å; D2115-N2119 PolarHBondContact OD2-ND2 2.98Å; D2115-N2119 VanDerWaalsContact OD2-ND2 3.07Å; D2115-L2121 HydrophobicContact CB-CD1 4.14Å; D2115-L2121 HydrophobicContact CB-CD2 4.19Å; D2115-L2121 HydrophobicContact CB-CG 4.13Å
2116S81.3Confident87.7Confident87 Ų8753.8 Ų53.861%0.60828%0.278SS*.THydrogen-bonded Turntrans-64.9-17.9179.254.30000114.3G2079G2079-S2116 WeakPolarHBondContact O-CA 3.28Å; G2079-S2116 PolarHBondContact O-N 2.91Å; G2079-S2116 VanDerWaalsContact O-N 3.08Å
2117N83.4Confident88Confident119 Ų11954.8 Ų54.864%0.63629%0.286SS*.THydrogen-bonded Turntrans-97.98.5179.2-63.8-29.2000112.2D2115 N2119D2115-N2117 PolarHBondContact O-N 2.8Å; D2115-N2117 VanDerWaalsContact OD1-C 3.3Å; D2115-N2117 VanDerWaalsContact OD1-CA 3.31Å; D2115-N2117 WeakPolarHBondContact OD1-CA 3.34Å; D2115-N2117 WeakPolarHBondContact OD1-CB 3.32Å; D2115-N2117 PolarHBondContact OD1-N 3.49Å; N2117-N2119 VanDerWaalsContact C-N 3.29Å; N2117-N2119 PolarHBondContact O-N 3.09Å
2118N80.1Confident88.1Confident103 Ų10347.5 Ų47.555%0.55126%0.256SS*.SBendtrans61.127.4-172.4-68.8-63.8000114.6Y2114 D2115Y2114-N2118 VanDerWaalsContact CD1-O 3.31Å; Y2114-N2118 WeakPolarHBondContact CD1-O 3.44Å; D2115-N2118 PolarHBondContact O-N 3.41Å; D2115-N2118 VanDerWaalsContact O-N 3.13Å; D2115-N2118 PolarHBondContact OD1-N 2.71Å
2119N84.3Confident87.4Confident92 Ų9249.7 Ų49.749%0.49227%0.269SS..  trans-84.7142.9167.4-54.9-51.8000110.5Y2114 D2115 N2117 L2121Y2114-N2119 CarbonylContact C-O 3.59Å; Y2114-N2119 VanDerWaalsContact CA-O 3.23Å; Y2114-N2119 WeakPolarHBondContact CA-O 3.46Å; D2115-N2119 PolarHBondContact N-O 2.81Å; D2115-N2119 PolarHBondContact OD1-N 2.91Å; D2115-N2119 WeakPolarHBondContact OD2-CB 3.49Å; D2115-N2119 PolarHBondContact OD2-ND2 2.98Å; D2115-N2119 VanDerWaalsContact OD2-ND2 3.07Å; N2117-N2119 VanDerWaalsContact C-N 3.29Å; N2117-N2119 PolarHBondContact O-N 3.09Å; N2119-L2121 PolarHBondContact O-N 3.42Å
2120I86.6Confident86.3Confident90 Ų9053.6 Ų53.646%0.46230%0.3SS..EExtended strand (participates in β ladder)trans-75.4118179.2-62.7172.7000109.2L2113 Y2114 D2122 K2123L2113-I2120 CarbonylContact O-C 3.47Å; L2113-I2120 WeakPolarHBondContact O-CA 3.25Å; Y2114-I2120 HydrophobicContact CD1-CG1 3.95Å; Y2114-I2120 HydrophobicContact CE1-CD1 4.24Å; Y2114-I2120 HydrophobicContact CE1-CG1 3.42Å; Y2114-I2120 VanDerWaalsContact CE1-CG1 3.42Å; I2120-D2122 WeakPolarHBondContact CG2-O 3.44Å; I2120-K2123 HydrophobicContact CG2-CB 3.94Å
2121L84.7Confident84.3Confident76 Ų7661.1 Ų61.140%0.39833%0.333SS..EExtended strand (participates in β ladder)trans-82-40.6172-66.9173.5000111.3Y2035 I2080 L2113 D2115 N2119Y2035-L2121 HydrophobicContact CD2-CD1 4.25Å; I2080-L2121 HydrophobicContact CD1-CD1 3.95Å; I2080-L2121 HydrophobicContact CG1-CD1 4.25Å; I2080-L2121 HydrophobicContact CG2-CD1 4.23Å; L2113-L2121 HydrophobicContact CB-CB 4.34Å; L2113-L2121 HydrophobicContact CD2-CB 4.26Å; L2113-L2121 HydrophobicContact CD2-CD1 4.06Å; L2113-L2121 HydrophobicContact CG-CD1 4.38Å; L2113-L2121 PolarHBondContact O-N 3.46Å; D2115-L2121 HydrophobicContact CB-CD1 4.14Å; D2115-L2121 HydrophobicContact CB-CD2 4.19Å; D2115-L2121 HydrophobicContact CB-CG 4.13Å; N2119-L2121 PolarHBondContact O-N 3.42Å
2122D91.1Very high81.9Confident41 Ų4163.9 Ų63.922%0.21936%0.362CS..EExtended strand (participates in β ladder)trans-155.9154.1175.2-167.219.2000110.8E2036 L2037 A2112 L2113 I2120E2036-D2122 WeakPolarHBondContact CA-OD2 3.25Å; L2037-D2122 WeakPolarHBondContact CB-OD2 3.39Å; L2037-D2122 HydrophobicContact CD1-CB 4.12Å; L2037-D2122 WeakPolarHBondContact CD1-O 3.37Å; L2037-D2122 HydrophobicContact CG-CB 4.18Å; L2037-D2122 PolarHBondContact N-OD2 3.47Å; A2112-D2122 CarbonylContact C-O 3.55Å; A2112-D2122 VanDerWaalsContact CA-O 3.27Å; A2112-D2122 WeakPolarHBondContact CA-O 3.06Å; L2113-D2122 PolarHBondContact N-O 3.39Å; I2120-D2122 WeakPolarHBondContact CG2-O 3.44Å
2123K92Very high79.6Confident83 Ų8373.9 Ų73.936%0.36141%0.405SS..EExtended strand (participates in β ladder)trans-149.8126.2-178.8178.4-172.1-179.5-175.90110.4E2088 T2110 F2111 A2112 I2120E2088-K2123 WeakPolarHBondContact O-CE 3.45Å; E2088-K2123 PolarHBondContact O-NZ 3.14Å; T2110-K2123 HydrophobicContact CG2-CD 4.29Å; T2110-K2123 VanDerWaalsContact CG2-CE 3.42Å; T2110-K2123 HydrophobicContact CG2-CG 3.86Å; F2111-K2123 CarbonylContact O-C 3.52Å; F2111-K2123 VanDerWaalsContact O-CA 3.28Å; F2111-K2123 WeakPolarHBondContact O-CA 3.4Å; A2112-K2123 HydrophobicContact CB-CB 4.23Å; A2112-K2123 HydrophobicContact CB-CG 4.24Å; I2120-K2123 HydrophobicContact CG2-CB 3.94Å
2124E91.5Very high77Confident87 Ų8782.1 Ų82.141%0.40745%0.449SS..EExtended strand (participates in β ladder)trans-128.3137.2178.9-167.353.8-109.100110.9L2037 P2039 T2110 F2111L2037-E2124 HydrophobicContact CB-CB 4.36Å; P2039-E2124 HydrophobicContact CG-CB 3.92Å; P2039-E2124 HydrophobicContact CG-CG 3.36Å; T2110-E2124 CarbonylContact C-O 3.47Å; T2110-E2124 WeakPolarHBondContact CA-O 3.49Å; F2111-E2124 PolarHBondContact N-O 3.44Å; F2111-E2124 PolarHBondContact O-N 3.34Å
2125S89Confident74.4Confident41 Ų4184.3 Ų84.329%0.28748%0.482SS..EExtended strand (participates in β ladder)trans-124.6116.8-175.5-72.80000110.7V2109 T2110 P2127V2109-S2125 CarbonylContact O-C 3.43Å; T2110-S2125 WeakPolarHBondContact CG2-OG 3.32Å; T2110-S2125 PolarHBondContact OG1-OG 3.16Å; S2125-P2127 VanDerWaalsContact O-CD 3.27Å; S2125-P2127 WeakPolarHBondContact O-CD 3.23Å
2126V88Confident71.9Confident2 Ų292.9 Ų92.91%0.01252%0.518CS..EExtended strand (participates in β ladder)trans-91.8108.5177.4-172.90000109.2P2039 A2041 I2044 V2057 M2108 V2109 F2111P2039-V2126 HydrophobicContact CB-CG2 3.6Å; P2039-V2126 HydrophobicContact CG-CG2 3.84Å; A2041-V2126 WeakPolarHBondContact O-CG1 3.28Å; A2041-V2126 WeakPolarHBondContact O-CG2 3.43Å; I2044-V2126 HydrophobicContact CD1-CB 4.34Å; I2044-V2126 HydrophobicContact CD1-CG1 3.57Å; I2044-V2126 HydrophobicContact CG1-CG1 4.22Å; V2057-V2126 HydrophobicContact CG1-CG2 4.3Å; M2108-V2126 CarbonylContact C-O 3.46Å; M2108-V2126 WeakPolarHBondContact CA-O 3.4Å; M2108-V2126 WeakPolarHBondContact CB-O 3.11Å; V2109-V2126 PolarHBondContact N-O 3.46Å; V2109-V2126 PolarHBondContact O-N 2.85Å; F2111-V2126 HydrophobicContact CE2-CG2 4.46Å
2127P86.3Confident69.3Low47 Ų4792.4 Ų92.431%0.30553%0.526SS..EExtended strand (participates in β ladder)trans-74.9146.7-179.230.2-35.1000112.2D2042 I2044 S2125 L2129D2042-P2127 WeakPolarHBondContact O-CD 3.33Å; I2044-P2127 PolarHBondContact N-O 3.42Å; S2125-P2127 VanDerWaalsContact O-CD 3.27Å; S2125-P2127 WeakPolarHBondContact O-CD 3.23Å; P2127-L2129 HydrophobicContact CB-CD2 4.35Å; P2127-L2129 HydrophobicContact CB-CG 4.5Å
2128V83.2Confident66.9Low18 Ų1894 Ų9411%0.10953%0.533CS..EExtended strand (participates in β ladder)trans-100.8110170.1-175.90000108.4I2044 V2046 V2102 D2106 K2107I2044-V2128 HydrophobicContact CB-CG1 4.48Å; I2044-V2128 HydrophobicContact CB-CG2 4.15Å; I2044-V2128 HydrophobicContact CD1-CG2 3.86Å; I2044-V2128 HydrophobicContact CG2-CG1 4.46Å; I2044-V2128 CarbonylContact O-C 3.5Å; I2044-V2128 VanDerWaalsContact O-CA 3.24Å; I2044-V2128 WeakPolarHBondContact O-CA 3.25Å; V2046-V2128 HydrophobicContact CG2-CG1 3.43Å; V2046-V2128 VanDerWaalsContact CG2-CG1 3.43Å; V2102-V2128 HydrophobicContact CG1-CG2 3.84Å; D2106-V2128 HydrophobicContact CB-CG2 4.22Å; D2106-V2128 WeakPolarHBondContact O-CB 3.45Å; D2106-V2128 VanDerWaalsContact O-CG1 3.24Å; D2106-V2128 WeakPolarHBondContact O-CG1 3.47Å; D2106-V2128 WeakPolarHBondContact O-CG2 3.37Å; K2107-V2128 PolarHBondContact O-N 3.19Å
2129L74Confident64.5Low91 Ų9197.1 Ų97.148%0.47654%0.544SS..EExtended strand (participates in β ladder)trans-101.8111.5-170.9-63.1173000110.8I2044 V2046 P2127I2044-L2129 PolarHBondContact O-N 2.72Å; V2046-L2129 PolarHBondContact N-O 2.72Å; P2127-L2129 HydrophobicContact CB-CD2 4.35Å; P2127-L2129 HydrophobicContact CB-CG 4.5Å
2130A66.6Low62.2Low81 Ų81101.7 Ų101.767%0.66956%0.556SS**EExtended strand (participates in β ladder)trans-83.7144.4173.200000112.2G2132A2130-G2132 PolarHBondContact O-N 2.92Å
2131F49.9Very low59.7Low158 Ų158104 Ų10469%0.69357%0.568SS**PPolyproline II helixtrans-59.5123.1179.2-144.4-89.5000112.1V2046V2046-F2131 PolarHBondContact O-N 3.38Å
2132G44.4Very low57.1Low58 Ų58108.9 Ų108.960%0.59859%0.586SS**PPolyproline II helixtrans-74.7149.6179.800000113.6A2130A2130-G2132 PolarHBondContact O-N 2.92Å
2133K47Very low54.3Low212 Ų212116.5 Ų116.592%0.92262%0.618SS**PPolyproline II helixtrans-79.8140.4170.2-67.7-177.4178.8177.10110.5G2135K2133-G2135 PolarHBondContact O-N 3.09Å
2134D38.9Very low51.2Low172 Ų172120.9 Ų120.992%0.9264%0.644SS**PPolyproline II helixtrans-53.5127.6-177.2-71.2-18.2000114.2
2135G35.9Very low48.4Very low79 Ų79126.2 Ų126.281%0.81467%0.669SS**  trans-104.2144.1-179.900000114.7K2133K2133-G2135 PolarHBondContact O-N 3.09Å
2136K31.9Very low45.7Very low214 Ų214131.9 Ų131.993%0.9370%0.696SS**  trans-92.1133.5179-74.9-177.7175.4178.30112.1
2137G26.8Very low43.2Very low77 Ų77137.1 Ų137.179%0.79473%0.73SS**  trans-82.7156-17400000116.6
2138I33.7Very low40.5Very low151 Ų151139.7 Ų139.777%0.77476%0.755SS**  trans-145.5142.1172.8-56-178.9000109.8
2139E29.4Very low38Very low169 Ų169144.3 Ų144.379%0.7979%0.785SS**  trans-107.1138.2-171.1-175.8-179.4-162.300111.2
2140Y34.7Very low36.2Very low189 Ų189145 Ų14574%0.74180%0.798SS**  trans-110.2123.5-177-68.7-87.9000112.3F2142Y2140-F2142 HydrophobicContact CD1-CZ 4.35Å; Y2140-F2142 HydrophobicContact CG-CZ 4.48Å
2141I34.2Very low34.6Very low137 Ų137148 Ų14870%0.70380%0.803SS**  trans-117.5121.3179.9-58.4173.6000109.3
2142F30.5Very low34.4Very low180 Ų180145.9 Ų145.979%0.78981%0.805SS**  trans-114.4123.8-179.4-59.1-86.8000110.9Y2140Y2140-F2142 HydrophobicContact CD1-CZ 4.35Å; Y2140-F2142 HydrophobicContact CG-CZ 4.48Å
2143K32.5Very low34.3Very low201 Ų201146.7 Ų146.787%0.87480%0.798SS**  trans-123.4133.2175.3-82.3-174.7177.1177.90111.9
2144L25.9Very low34.4Very low175 Ų175140.1 Ų140.192%0.91678%0.777SS**  trans-63.8130.8175.9-9480000113
2145Q34.5Very low35.1Very low199 Ų199138.1 Ų138.193%0.9378%0.777SS**  trans-156.4140152.9-113.2174.11.700112.8
2146N32.4Very low35.7Very low160 Ų160137.7 Ų137.786%0.85676%0.756SS**  trans-56.7164.8-175.6-123.6-2.5000114.7
2147P35.5Very low36.5Very low112 Ų112134.3 Ų134.373%0.72774%0.738SS**SBend-102.4155.7-13035.8-24.4000115.8
2148A28.1Very low37.7Very low100 Ų100133.5 Ų133.583%0.82672%0.724SS**  trans82.879.8160.900000118.6
2149P32.2Very low38.5Very low115 Ų115131.5 Ų131.575%0.74772%0.719SS**  trans-124.4125.2142.817.12.9000112.2
2150S35.5Very low39.4Very low106 Ų106125.6 Ų125.674%0.74169%0.693SS**  trans13.7110.5149.458.10000117.8P2152S2150-P2152 WeakPolarHBondContact O-CD 3.22Å; S2150-P2152 VanDerWaalsContact O-N 3.16Å
2151N33Very low39.9Very low145 Ų145121.4 Ų121.478%0.77569%0.687SS**  trans-46.3106.1162.9-157.915.3000111.6T2153N2151-T2153 PolarHBondContact O-N 3.29Å
2152P46.2Very low40.5Very low113 Ų113123.2 Ų123.273%0.73469%0.692SS**  trans-97.67517231.3-15.4000107.4S2150 P2154S2150-P2152 WeakPolarHBondContact O-CD 3.22Å; S2150-P2152 VanDerWaalsContact O-N 3.16Å; P2152-P2154 VanDerWaalsContact O-CD 3.3Å; P2152-P2154 WeakPolarHBondContact O-CD 3.48Å
2153T41.2Very low41.3Very low75 Ų75121.8 Ų121.846%0.4668%0.683SS.*  trans-67.8119.7164-43.10000106.5N2151 S2155 Y2157N2151-T2153 PolarHBondContact O-N 3.29Å; T2153-S2155 PolarHBondContact O-N 2.93Å; T2153-Y2157 HydrophobicContact CG2-CD1 3.7Å; T2153-Y2157 HydrophobicContact CG2-CD2 4.47Å; T2153-Y2157 HydrophobicContact CG2-CE1 4.47Å; T2153-Y2157 HydrophobicContact CG2-CG 3.7Å
2154P49.5Very low41.7Very low73 Ų73116.6 Ų116.647%0.47466%0.662SS.*  trans-52.5137.2177.5-24.734.1000110.1P2152 D2156 Y2157P2152-P2154 VanDerWaalsContact O-CD 3.3Å; P2152-P2154 WeakPolarHBondContact O-CD 3.48Å; P2154-D2156 VanDerWaalsContact CB-OD1 3.28Å; P2154-D2156 WeakPolarHBondContact CB-OD1 3.23Å; P2154-D2156 PolarHBondContact O-N 3.04Å; P2154-Y2157 WeakPolarHBondContact O-CB 3.39Å; P2154-Y2157 PolarHBondContact O-N 2.66Å
2155S54.5Low42.2Very low131 Ų131117.7 Ų117.792%0.91665%0.654SS**THydrogen-bonded Turntrans-60.5-13.4-174.348.20000114.2T2153T2153-S2155 PolarHBondContact O-N 2.93Å
2156D47.8Very low42.4Very low69 Ų69114 Ų11437%0.36965%0.645SS.*THydrogen-bonded Turntrans-107.56.5179.760.9-36.6000113.6P2154 A2158 T2159 N2160P2154-D2156 VanDerWaalsContact CB-OD1 3.28Å; P2154-D2156 WeakPolarHBondContact CB-OD1 3.23Å; P2154-D2156 PolarHBondContact O-N 3.04Å; D2156-A2158 PolarHBondContact O-N 3.42Å; D2156-A2158 VanDerWaalsContact O-N 3.13Å; D2156-T2159 PolarHBondContact O-N 3.24Å; D2156-T2159 PolarHBondContact O-OG1 3.36Å; D2156-N2160 WeakPolarHBondContact O-CB 3.31Å; D2156-N2160 PolarHBondContact O-N 2.92Å
2157Y48.3Very low42.6Very low144 Ų144110.2 Ų110.257%0.56562%0.624SS**THydrogen-bonded Turntrans-51.9-37.1175.6139.8-99.3000112.6T2153 P2154 T2159T2153-Y2157 HydrophobicContact CG2-CD1 3.7Å; T2153-Y2157 HydrophobicContact CG2-CD2 4.47Å; T2153-Y2157 HydrophobicContact CG2-CE1 4.47Å; T2153-Y2157 HydrophobicContact CG2-CG 3.7Å; P2154-Y2157 WeakPolarHBondContact O-CB 3.39Å; P2154-Y2157 PolarHBondContact O-N 2.66Å; Y2157-T2159 VanDerWaalsContact C-N 3.31Å; Y2157-T2159 PolarHBondContact O-N 3.45Å
2158A51.8Low42.4Very low60 Ų60118 Ų11850%0.49665%0.647SS.*THydrogen-bonded Turntrans-76.3-15.6179.300000113.5D2156 Q2164D2156-A2158 PolarHBondContact O-N 3.42Å; D2156-A2158 VanDerWaalsContact O-N 3.13Å; A2158-Q2164 PolarHBondContact O-NE2 2.84Å
2159T51.4Low43.1Very low108 Ų108118.9 Ų118.966%0.66364%0.638SS**THydrogen-bonded Turntrans-122.7-12.3-171.452.20000114.6D2156 Y2157 T2161D2156-T2159 PolarHBondContact O-N 3.24Å; D2156-T2159 PolarHBondContact O-OG1 3.36Å; Y2157-T2159 VanDerWaalsContact C-N 3.31Å; Y2157-T2159 PolarHBondContact O-N 3.45Å; T2159-T2161 PolarHBondContact O-N 2.79Å
2160N47Very low43.7Very low45 Ų45119.1 Ų119.124%0.24163%0.632CS.*  trans-82112.7175.4-179-18.1000110.1D2156 E2162 Y2163 Q2164D2156-N2160 WeakPolarHBondContact O-CB 3.31Å; D2156-N2160 PolarHBondContact O-N 2.92Å; N2160-E2162 PolarHBondContact O-N 3.01Å; N2160-E2162 VanDerWaalsContact O-N 3.14Å; N2160-E2162 PolarHBondContact OD1-N 2.79Å; N2160-Y2163 HydrophobicContact CB-CD2 3.83Å; N2160-Y2163 HydrophobicContact CB-CE2 4.41Å; N2160-Y2163 PolarHBondContact O-N 3.16Å; N2160-Q2164 PolarHBondContact O-N 2.86Å; N2160-Q2164 VanDerWaalsContact O-N 3.13Å
2161T45Very low44.1Very low102 Ų102119.8 Ų119.863%0.62663%0.626SS**THydrogen-bonded Turntrans-63.5-13.5-176.312.70000114.5T2159T2159-T2161 PolarHBondContact O-N 2.79Å
2162E47.8Very low44.8Very low174 Ų174118.3 Ų118.381%0.81362%0.617SS**THydrogen-bonded Turntrans-75.9-26.2169.7-71.5-169.7155.300112.7N2160N2160-E2162 PolarHBondContact O-N 3.01Å; N2160-E2162 VanDerWaalsContact O-N 3.14Å; N2160-E2162 PolarHBondContact OD1-N 2.79Å
2163Y47.7Very low44.7Very low150 Ų150118.6 Ų118.659%0.58861%0.61SS**THydrogen-bonded Turntrans-94.3-18.3174.3-61.6-75.8000112.8N2160 R2165N2160-Y2163 HydrophobicContact CB-CD2 3.83Å; N2160-Y2163 HydrophobicContact CB-CE2 4.41Å; N2160-Y2163 PolarHBondContact O-N 3.16Å; Y2163-R2165 PolarHBondContact O-N 2.89Å; Y2163-R2165 VanDerWaalsContact O-N 3.08Å
2164Q40Very low45Very low92 Ų92121.5 Ų121.543%0.4362%0.62SS.*SBendtrans-74.697.2165.8-63.8-145.1-11.600108.8A2158 N2160 T2166A2158-Q2164 PolarHBondContact O-NE2 2.84Å; N2160-Q2164 PolarHBondContact O-N 2.86Å; N2160-Q2164 VanDerWaalsContact O-N 3.13Å; Q2164-T2166 PolarHBondContact O-N 3.4Å
2165R37.6Very low44.6Very low198 Ų198125 Ų12575%0.74763%0.63SS**  trans-50.599.8151.2-88.7-167115.5176.8-3.4107.3Y2163 D2167Y2163-R2165 PolarHBondContact O-N 2.89Å; Y2163-R2165 VanDerWaalsContact O-N 3.08Å; R2165-D2167 WeakPolarHBondContact CA-OD1 3.28Å; R2165-D2167 WeakPolarHBondContact CB-OD1 3.46Å; R2165-D2167 WeakPolarHBondContact CG-OD1 3.18Å; R2165-D2167 IonicContact CZ-OD2 3.36Å; R2165-D2167 VanDerWaalsContact NE-CG 3.3Å; R2165-D2167 IonicContact NE-OD1 3.07Å; R2165-D2167 PolarHBondContact NE-OD1 3.29Å; R2165-D2167 IonicContact NE-OD2 3.91Å; R2165-D2167 PolarHBondContact NE-OD2 3.3Å; R2165-D2167 IonicContact NH2-OD2 2.73Å; R2165-D2167 PolarHBondContact NH2-OD2 3.11Å
2166T38Very low43.9Very low121 Ų121124.5 Ų124.574%0.74261%0.608SS**  trans-80.4-7.4168.839.20000110.4Q2164 K2168Q2164-T2166 PolarHBondContact O-N 3.4Å; T2166-K2168 PolarHBondContact O-N 3.04Å
2167D37.5Very low43.5Very low81 Ų81129.2 Ų129.243%0.43363%0.628SS.*  trans-72.695.4151.451.2-30.1000109.2R2165R2165-D2167 WeakPolarHBondContact CA-OD1 3.28Å; R2165-D2167 WeakPolarHBondContact CB-OD1 3.46Å; R2165-D2167 WeakPolarHBondContact CG-OD1 3.18Å; R2165-D2167 IonicContact CZ-OD2 3.36Å; R2165-D2167 VanDerWaalsContact NE-CG 3.3Å; R2165-D2167 IonicContact NE-OD1 3.07Å; R2165-D2167 PolarHBondContact NE-OD1 3.29Å; R2165-D2167 IonicContact NE-OD2 3.91Å; R2165-D2167 PolarHBondContact NE-OD2 3.3Å; R2165-D2167 IonicContact NH2-OD2 2.73Å; R2165-D2167 PolarHBondContact NH2-OD2 3.11Å
2168K30.4Very low43.1Very low275 Ų275127.8 Ų127.8100%1.19663%0.634SS**  trans-46.40153.3-84.1-169.4174.1-174.60110.8T2166T2166-K2168 PolarHBondContact O-N 3.04Å

Retrieved 2,168 of 2,168 residues in 2781.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).