A0A3Q0KBA2_SCHMA Loading...

Similar to elongation factor Tu GTP binding domain containing 1 isoform 6-related

AlphaFold DB , UniProt , Accession A0A3Q0KBA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,472 aa.

>A0A3Q0KBA2_SCHMA|A0A3Q0KBA2
MNVRRTVLSSLTKHVGRIRNVCILAHVDHGKTTMADALLATNGIVSSRQSGKLRYMDNTEGEQERGITMKSSVIGLIFNRKVSSVDKNDEDYYLVNLVDSPGHVDFSSEVSTAVRLCDAAIIVVDVVEGVCPQTRTVLRQAWDERLTLLLALNKIDRLVVEIKLTPSQAYETMCRVIEQVNSVLAEMFSADVTRQRDGIWQMNIDKHDLSSDVQRDNNVYDWSDHLEKADDSNLYFSPEKGNVVFCSSVDSWGFRVDQFCQTWSERLSVPYSVLQKSLWGDFYLTSSPTESNKMVIKPNARQKQKKSIFVQLVLEPLWNAYQTLFFEDKRDKVFAMAQKVGVNLDQRVIRNVDSRGVLRAFLSAWLSLGHTLMHAITDICPSPSSAVSADRAVHMLYGDTVLCDSALTKQDTPIPIDQTSRVPINSIYSTTGASLALQSCDSSSLAPTIIFVAKVFWTDKLRLTSNITSNPASINTKQENTDSDGISPSCDTANTDVNNHSSEIQSSIPKQINLRSPLLLCNPFTDTDFIALARVFSGSVYPGQKLFVLGPKFNGRKVPSYLLDTDPESLPLGPVRLRNDDEDIDISLTRNETGSIDNFCTFSPINSGSLPVSRSGSVGGSGEYLLTGPKYLRHVYVACVVHVLQLLGGQSDFVKLLEPVPSGNIVGLTGPDLIACLPKSGLLVSRLSLVSSFNKANSSETELAPVLPLAGLAVWHGAPVISVAVEPASATNPEDVYRLERGLRLLDRADPCAEVTITANGEYIIRAAGEIHLQKCIEDLIKHFAPEVELQISPFVVPFRETIIDACNTSNSISLISLSNLSYEKAYIQFESLVQKFNLTLNKNCDQLQSLNLQLPSSLCTTGDDELKPTTTTINTGDNLKSISCSTQKLHNFHHNLDINNFPISIFQLPHSKPRTRILIRVTAHPMPCELLNWIEHYGSSKVSQLIRAFKSKALNYTKLLSEFEQQLSNICCQLTSKCTSACAINWNQITTSLLAFGPNQTGPNILISHLNTDYFPLCTVWGKKLNSSLNNSTIHLKNINKKSNINLPIISYGKALLRGFQQATLKGPLCAEPMYGIVFVLEEIVAENLDTLKLPNYSNDNTTTTTTTTTNNNNNNVISRENKSHESNINNELAAPLPLENLKNSILSSTATTCSTDNKPDNQLLSNKCKRKSKRLTSISWLDDDEIEHLYHSSSEEVDQDSDDNDDGNWCSDSSENEDSRSDRFSDVENSNTAVVQNSEMETCFDTTKEIPYWQRRSDMAWLHDIPPGLLTPAMTRACIAAFQSCPFQRLMIAVYDLELQARSDVLGRMFGVLRRRYGRVVSEDFREGENTFIISARLPVIESFGLADEIRKRTSGVVSLPQLRPGGWELLDIDPLQKDVSSVDTKESFGEPFRTKGGSSKVFRSKLPISSLHDGGGGGDDGTGENMDEPTSRISRVQRYIREVRLRKGLPLNEQLVLNADKQRTLKKNK
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low59.2Low149 Ų14968.2 Ų68.273%0.73436%0.362SS*.  0-48.90-80.4176.4167.100113.4V3 R4 R5M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 2.63Å; M1-R4 WeakPolarHBondContact O-CA 3.47Å; M1-R4 WeakPolarHBondContact O-CB 3.34Å; M1-R4 PolarHBondContact O-N 3.31Å; M1-R5 PolarHBondContact O-N 2.93Å
2N38.9Very low60Low120 Ų12063 Ų6364%0.64234%0.335SS*.Hα-helixtrans-53.7-42.5-175.8-65.22.5000114.5R4 R5 T6N2-R4 VanDerWaalsContact C-N 3.31Å; N2-R4 PolarHBondContact O-N 2.89Å; N2-R5 PolarHBondContact O-N 2.93Å; N2-R5 VanDerWaalsContact O-N 3.08Å; N2-T6 PolarHBondContact O-N 3.36Å; N2-T6 PolarHBondContact O-OG1 3.27Å
3V49.6Very low61Low117 Ų11766.6 Ų66.671%0.70935%0.346SS*.Hα-helixtrans-57-42.1173.4-177.60000112M1 R5 T6 V7M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 2.63Å; V3-R5 VanDerWaalsContact C-N 3.35Å; V3-R5 PolarHBondContact O-N 2.72Å; V3-T6 PolarHBondContact O-N 3.44Å; V3-V7 HydrophobicContact CG1-CG2 4.21Å; V3-V7 WeakPolarHBondContact O-CB 3.27Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.39Å; V3-V7 PolarHBondContact O-N 3.22Å
4R62.9Low62.4Low77 Ų7768.6 Ų68.629%0.29135%0.352SS..Hα-helixtrans-60.6-42.8175.4-65.6-166.8-169141.14.5111M1 N2 T6 V7 L8 N42 G43 I77M1-R4 WeakPolarHBondContact O-CA 3.47Å; M1-R4 WeakPolarHBondContact O-CB 3.34Å; M1-R4 PolarHBondContact O-N 3.31Å; N2-R4 VanDerWaalsContact C-N 3.31Å; N2-R4 PolarHBondContact O-N 2.89Å; R4-T6 PolarHBondContact O-N 3.03Å; R4-V7 PolarHBondContact O-N 3.4Å; R4-L8 HydrophobicContact CB-CD1 4.32Å; R4-L8 VanDerWaalsContact O-CB 3.25Å; R4-L8 WeakPolarHBondContact O-CB 2.94Å; R4-L8 VanDerWaalsContact O-CD1 3.26Å; R4-L8 WeakPolarHBondContact O-CD1 3.45Å; R4-L8 WeakPolarHBondContact O-CG 3.32Å; R4-L8 PolarHBondContact O-N 3.25Å; R4-N42 PolarHBondContact NH2-O 2.96Å; R4-G43 PolarHBondContact NH2-O 3.13Å; R4-I77 HydrophobicContact CB-CD1 3.99Å; R4-I77 HydrophobicContact CG-CD1 4.02Å
5R62.5Low63.8Low89 Ų8965.4 Ų65.434%0.33634%0.337SS..Hα-helixtrans-60-46.9-179.2-71.4-175.2178.7166.1-0.4112.3M1 N2 V3 L8 S9 T464M1-R5 PolarHBondContact O-N 2.93Å; N2-R5 PolarHBondContact O-N 2.93Å; N2-R5 VanDerWaalsContact O-N 3.08Å; V3-R5 VanDerWaalsContact C-N 3.35Å; V3-R5 PolarHBondContact O-N 2.72Å; R5-L8 PolarHBondContact O-N 3.47Å; R5-S9 PolarHBondContact O-N 3.46Å; R5-S9 VanDerWaalsContact O-N 3.12Å; R5-S9 PolarHBondContact O-OG 3.08Å; R5-T464 PolarHBondContact NH2-OG1 2.82Å
6T61.2Low65.1Low97 Ų9763.9 Ų63.960%0.59534%0.343SS*.Hα-helixtrans-66.8-42.3178.5-43.30000112.1N2 V3 R4 L8 S9 S10N2-T6 PolarHBondContact O-N 3.36Å; N2-T6 PolarHBondContact O-OG1 3.27Å; V3-T6 PolarHBondContact O-N 3.44Å; R4-T6 PolarHBondContact O-N 3.03Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 2.64Å; T6-S9 PolarHBondContact O-N 3.07Å; T6-S9 PolarHBondContact O-OG 3.41Å; T6-S9 VanDerWaalsContact O-OG 3.07Å; T6-S10 PolarHBondContact O-N 3.49Å; T6-S10 PolarHBondContact O-OG 2.92Å
7V68Low66.4Low20 Ų2063.4 Ų63.412%0.12134%0.335CS..Hα-helixtrans-67.8-32.6177.3171.70000111.4V3 R4 S10 L11 I77 Y92V3-V7 HydrophobicContact CG1-CG2 4.21Å; V3-V7 WeakPolarHBondContact O-CB 3.27Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.39Å; V3-V7 PolarHBondContact O-N 3.22Å; R4-V7 PolarHBondContact O-N 3.4Å; V7-S10 PolarHBondContact O-OG 3.34Å; V7-L11 HydrophobicContact CG1-CD1 3.59Å; V7-L11 HydrophobicContact CG1-CG 4.18Å; V7-L11 WeakPolarHBondContact O-CB 3.5Å; V7-L11 WeakPolarHBondContact O-CD1 2.98Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 3.36Å; V7-I77 HydrophobicContact CG1-CD1 4.42Å; V7-I77 HydrophobicContact CG1-CG2 4.21Å; V7-Y92 HydrophobicContact CG1-CD1 4.41Å; V7-Y92 HydrophobicContact CG1-CG 4.46Å
8L68.6Low67.7Low5 Ų559.8 Ų59.83%0.02632%0.316CS..Hα-helixtrans-66-47.3174-75.8159.9000111.4R4 R5 T6 S10 L11 T12 I77 L94 L647R4-L8 HydrophobicContact CB-CD1 4.32Å; R4-L8 VanDerWaalsContact O-CB 3.25Å; R4-L8 WeakPolarHBondContact O-CB 2.94Å; R4-L8 VanDerWaalsContact O-CD1 3.26Å; R4-L8 WeakPolarHBondContact O-CD1 3.45Å; R4-L8 WeakPolarHBondContact O-CG 3.32Å; R4-L8 PolarHBondContact O-N 3.25Å; R5-L8 PolarHBondContact O-N 3.47Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 2.64Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 3.01Å; L8-T12 WeakPolarHBondContact O-CG2 3.37Å; L8-T12 PolarHBondContact O-N 3.19Å; L8-T12 PolarHBondContact O-OG1 3.27Å; L8-T12 VanDerWaalsContact O-OG1 3.08Å; L8-I77 HydrophobicContact CD1-CD1 4.38Å; L8-I77 HydrophobicContact CD2-CD1 3.96Å; L8-I77 HydrophobicContact CD2-CG1 3.97Å; L8-I77 HydrophobicContact CG-CD1 3.81Å; L8-I77 HydrophobicContact CG-CG1 4.39Å; L8-L94 HydrophobicContact CD2-CD1 3.92Å; L8-L647 HydrophobicContact CD1-CD1 3.44Å; L8-L647 VanDerWaalsContact CD1-CD1 3.44Å; L8-L647 HydrophobicContact CD1-CD2 3.5Å; L8-L647 VanDerWaalsContact CD1-CD2 3.5Å; L8-L647 HydrophobicContact CD1-CG 4.11Å; L8-L647 HydrophobicContact CD2-CD2 4Å; L8-L647 HydrophobicContact CG-CD2 4.42Å
9S65.5Low69Low29 Ų2957.9 Ų57.920%0.20330%0.304CS..Hα-helixtrans-67.7-26.8-179.558.50000113.7R5 T6 T12 K13R5-S9 PolarHBondContact O-N 3.46Å; R5-S9 VanDerWaalsContact O-N 3.12Å; R5-S9 PolarHBondContact O-OG 3.08Å; T6-S9 PolarHBondContact O-N 3.07Å; T6-S9 PolarHBondContact O-OG 3.41Å; T6-S9 VanDerWaalsContact O-OG 3.07Å; S9-T12 PolarHBondContact O-OG1 3.38Å; S9-K13 WeakPolarHBondContact O-CD 3.43Å; S9-K13 VanDerWaalsContact O-CE 3.32Å; S9-K13 WeakPolarHBondContact O-CE 3.26Å
10S68.1Low70.2Confident45 Ų4555.1 Ų55.132%0.31529%0.289SS..Hα-helixtrans-76.2-40.3168.860.10000112.4T6 V7 L8 K13 H14T6-S10 PolarHBondContact O-N 3.49Å; T6-S10 PolarHBondContact O-OG 2.92Å; V7-S10 PolarHBondContact O-OG 3.34Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.4Å; S10-K13 PolarHBondContact O-N 3.47Å; S10-H14 PolarHBondContact O-CD2 3.26Å
11L67.3Low71.4Confident2 Ų252.4 Ų52.41%0.0128%0.275CS..Hα-helixtrans-69.8-39180-77.9171.6000114.2V7 L8 K13 H14 I77 Y92V7-L11 HydrophobicContact CG1-CD1 3.59Å; V7-L11 HydrophobicContact CG1-CG 4.18Å; V7-L11 WeakPolarHBondContact O-CB 3.5Å; V7-L11 WeakPolarHBondContact O-CD1 2.98Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 3.01Å; L11-K13 PolarHBondContact O-N 3.46Å; L11-K13 VanDerWaalsContact O-N 3.15Å; L11-H14 PolarHBondContact O-N 3.42Å; L11-I77 HydrophobicContact CD1-CG2 3.9Å; L11-Y92 WeakPolarHBondContact CD2-O 3.09Å
12T68.7Low74Confident6 Ų645.3 Ų45.34%0.03724%0.24CC..Hα-helixtrans-56.1-34.4178.945.50000110.8L8 S9 H14 L94 P661L8-T12 WeakPolarHBondContact O-CG2 3.37Å; L8-T12 PolarHBondContact O-N 3.19Å; L8-T12 PolarHBondContact O-OG1 3.27Å; L8-T12 VanDerWaalsContact O-OG1 3.08Å; S9-T12 PolarHBondContact O-OG1 3.38Å; T12-H14 PolarHBondContact O-N 3.48Å; T12-L94 HydrophobicContact CG2-CD2 4.08Å; T12-P661 WeakPolarHBondContact O-CD 3.48Å; T12-P661 WeakPolarHBondContact O-CG 3.49Å
13K73.1Confident76.7Confident110 Ų11039.6 Ų39.648%0.47821%0.21SC..THydrogen-bonded Turntrans-64.8-18.3179.6-66.8170.3-175.2167.30114.6S9 S10 L11 E658S9-K13 WeakPolarHBondContact O-CD 3.43Å; S9-K13 VanDerWaalsContact O-CE 3.32Å; S9-K13 WeakPolarHBondContact O-CE 3.26Å; S10-K13 PolarHBondContact O-N 3.47Å; L11-K13 PolarHBondContact O-N 3.46Å; L11-K13 VanDerWaalsContact O-N 3.15Å; K13-E658 WeakPolarHBondContact CE-OE2 3.34Å; K13-E658 IonicContact NZ-OE1 2.73Å; K13-E658 IonicContact NZ-OE2 3.72Å; K13-E658 PolarHBondContact NZ-OE2 3.07Å
14H79.9Confident78.8Confident94 Ų9434.1 Ų34.144%0.43518%0.176SC..  trans-107.385.7-175-67.5-63.7000112S10 L11 T12 G16 R17S10-H14 PolarHBondContact O-CD2 3.26Å; L11-H14 PolarHBondContact O-N 3.42Å; T12-H14 PolarHBondContact O-N 3.48Å; H14-G16 PolarHBondContact O-N 3.5Å; H14-G16 VanDerWaalsContact O-N 3.08Å; H14-R17 HydrophobicContact CB-CB 4.29Å; H14-R17 HydrophobicContact CB-CG 4.14Å; H14-R17 PolarHBondContact O-N 3.13Å
15V83.6Confident80.1Confident21 Ų2130.6 Ų30.613%0.12716%0.164CC..G310 helixtrans-44.8-43.7179-175.90000113.2R17 I18 P383 S442 P661V15-R17 PolarHBondContact O-N 3.38Å; V15-R17 VanDerWaalsContact O-N 3.13Å; V15-I18 PolarHBondContact O-N 2.8Å; V15-I18 VanDerWaalsContact O-N 3.16Å; V15-P383 HydrophobicContact CG1-CG 3.83Å; V15-S442 WeakPolarHBondContact CG2-OG 3.12Å; V15-P661 HydrophobicContact CG2-CB 4.22Å; V15-P661 HydrophobicContact CG2-CG 4.49Å
16G85.1Confident81.2Confident41 Ų4127 Ų2742%0.42315%0.151SC..G310 helixtrans-64.1-14.8179.500000115.7H14 R19H14-G16 PolarHBondContact O-N 3.5Å; H14-G16 VanDerWaalsContact O-N 3.08Å; G16-R19 PolarHBondContact O-NH1 3.37Å
17R86.4Confident82.2Confident55 Ų5522.8 Ų22.821%0.20813%0.125CC..G310 helixtrans-102.1-2178.9-60.9-177.9-177.9171.13.8113.4H14 V15 D89 E90 Y92 Y93 L94H14-R17 HydrophobicContact CB-CB 4.29Å; H14-R17 HydrophobicContact CB-CG 4.14Å; H14-R17 PolarHBondContact O-N 3.13Å; V15-R17 PolarHBondContact O-N 3.38Å; V15-R17 VanDerWaalsContact O-N 3.13Å; R17-D89 PolarHBondContact NH1-O 2.81Å; R17-E90 PolarHBondContact NE-O 2.95Å; R17-E90 PolarHBondContact NH1-O 3.08Å; R17-E90 PolarHBondContact NH2-O 3.22Å; R17-Y92 WeakPolarHBondContact CD-O 3.26Å; R17-Y93 HydrophobicContact CB-CD1 4.3Å; R17-Y93 WeakPolarHBondContact O-CA 3.39Å; R17-L94 PolarHBondContact O-N 3.47Å
18I90.2Very high83Confident0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-83.9142.9173.7-55.2179.4000109.5V15 L94 P383 N664V15-I18 PolarHBondContact O-N 2.8Å; V15-I18 VanDerWaalsContact O-N 3.16Å; I18-L94 CarbonylContact C-O 3.47Å; I18-L94 WeakPolarHBondContact CA-O 3.33Å; I18-L94 HydrophobicContact CG1-CD2 4.48Å; I18-P383 HydrophobicContact CB-CG 4.2Å; I18-P383 WeakPolarHBondContact O-CD 3.25Å; I18-N664 HydrophobicContact CD1-CB 4.04Å
19R92.7Very high83.9Confident23 Ų2326 Ų269%0.08714%0.141CC..EExtended strand (participates in β ladder)trans-136.2124170.1-64.5-62.3-177.4-83.94109.6G16 V21 L94 V95 N96 I376 C380 P381G16-R19 PolarHBondContact O-NH1 3.37Å; R19-V21 HydrophobicContact CB-CG2 4.4Å; R19-L94 PolarHBondContact N-O 3.48Å; R19-V95 HydrophobicContact CB-CG2 4.37Å; R19-V95 CarbonylContact O-C 3.57Å; R19-V95 WeakPolarHBondContact O-CA 3.15Å; R19-N96 PolarHBondContact O-N 3.3Å; R19-I376 HydrophobicContact CB-CG2 3.94Å; R19-I376 HydrophobicContact CG-CG2 4.18Å; R19-C380 WeakPolarHBondContact CD-O 3.46Å; R19-C380 PolarHBondContact NE-O 3.27Å; R19-P381 WeakPolarHBondContact CD-O 3.43Å
20N93.4Very high84.9Confident1 Ų125.2 Ų25.21%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-104.9115.7177.6-54.1-57.3000109.3N96 D118 A119 G663 I665N20-N96 WeakPolarHBondContact OD1-CB 3.15Å; N20-N96 PolarHBondContact OD1-ND2 2.81Å; N20-D118 HydrophobicContact CB-CB 4.48Å; N20-D118 PolarHBondContact ND2-OD2 3.36Å; N20-D118 PolarHBondContact O-N 2.9Å; N20-A119 PolarHBondContact O-N 3.2Å; N20-A119 VanDerWaalsContact O-N 3.17Å; N20-G663 PolarHBondContact ND2-O 3.43Å; N20-G663 PolarHBondContact OD1-O 3.23Å; N20-I665 HydrophobicContact CB-CD1 4.18Å
21V94.5Very high86Confident0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-133.3127.7-169.3-174.60000111.2R19 V95 N96 L97 V98 A119 I121 I376R19-V21 HydrophobicContact CB-CG2 4.4Å; V21-V95 HydrophobicContact CG2-CG1 4.44Å; V21-N96 PolarHBondContact N-O 2.85Å; V21-L97 CarbonylContact O-C 3.43Å; V21-L97 WeakPolarHBondContact O-CA 3.37Å; V21-V98 PolarHBondContact O-N 3Å; V21-A119 WeakPolarHBondContact CA-O 3.45Å; V21-I121 HydrophobicContact CG1-CD1 3.77Å; V21-I121 HydrophobicContact CG1-CG1 3.71Å; V21-I376 HydrophobicContact CG2-CG1 4.32Å; V21-I376 HydrophobicContact CG2-CG2 3.7Å
22C94.4Very high87Confident0 Ų024.2 Ų24.20%013%0.129CC..EExtended strand (participates in β ladder)trans-99.2147.916955.10000112.3L24 V98 C117 A119 A120 I121C22-L24 HydrophobicContact CB-CD2 4.41Å; C22-V98 CarbonylContact C-O 3.48Å; C22-V98 VanDerWaalsContact CA-O 3.28Å; C22-V98 WeakPolarHBondContact CA-O 2.91Å; C22-V98 HydrophobicContact CB-CB 4.26Å; C22-C117 HydrophobicContact CB-CB 4.14Å; C22-C117 VanDerWaalsContact CB-SG 3.59Å; C22-C117 PolarHBondContact N-SG 2.86Å; C22-A119 PolarHBondContact N-O 2.87Å; C22-A120 WeakPolarHBondContact O-CA 3.38Å; C22-I121 PolarHBondContact O-N 3.12Å
23I94.9Very high88Confident0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-96.8126.1167-61.8171.8000108.6K31 M34 A35 L97 V98 S100 V123I23-K31 HydrophobicContact CG2-CB 3.8Å; I23-K31 HydrophobicContact CG2-CD 4.14Å; I23-K31 HydrophobicContact CG2-CG 3.74Å; I23-M34 HydrophobicContact CB-CE 4.37Å; I23-M34 HydrophobicContact CD1-CE 3.7Å; I23-M34 HydrophobicContact CG1-CE 3.79Å; I23-M34 HydrophobicContact CG2-CE 3.64Å; I23-A35 HydrophobicContact CD1-CB 3.96Å; I23-L97 HydrophobicContact CD1-CD1 3.91Å; I23-L97 HydrophobicContact CD1-CD2 4.25Å; I23-L97 HydrophobicContact CD1-CG 4.4Å; I23-L97 HydrophobicContact CG1-CD1 3.93Å; I23-V98 PolarHBondContact N-O 3.49Å; I23-S100 PolarHBondContact O-OG 3.31Å; I23-V123 HydrophobicContact CG2-CG2 3.77Å
24L93.4Very high88.9Confident1 Ų120 Ų201%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-128125.2-171.9-70.4-167.3000110.3C22 S100 V110 V114 A120 I121 I122 V123 V137 A141C22-L24 HydrophobicContact CB-CD2 4.41Å; L24-S100 WeakPolarHBondContact CD2-OG 3.37Å; L24-V110 HydrophobicContact CD2-CG1 3.88Å; L24-V114 HydrophobicContact CD1-CG2 3.99Å; L24-V114 HydrophobicContact CD2-CG2 3.92Å; L24-A120 HydrophobicContact CD1-CB 3.51Å; L24-A120 HydrophobicContact CG-CB 4.06Å; L24-I121 PolarHBondContact N-O 3.04Å; L24-I122 HydrophobicContact CB-CD1 3.95Å; L24-I122 HydrophobicContact CD1-CD1 4.03Å; L24-I122 CarbonylContact O-C 3.51Å; L24-I122 WeakPolarHBondContact O-CA 3.14Å; L24-V123 PolarHBondContact O-N 2.76Å; L24-V137 HydrophobicContact CB-CG1 3.55Å; L24-V137 HydrophobicContact CD1-CG1 3.59Å; L24-V137 HydrophobicContact CD2-CG1 3.82Å; L24-V137 HydrophobicContact CG-CG1 3.83Å; L24-A141 HydrophobicContact CD1-CB 3.84Å
25A91.1Very high89.4Confident3 Ų315.6 Ų15.63%0.0259%0.092CC..EExtended strand (participates in β ladder)trans-170.6162.7179.800000113.7H29 K31 V123A25-H29 HydrophobicContact CB-CB 3.84Å; A25-K31 HydrophobicContact CB-CD 3.65Å; A25-K31 HydrophobicContact CB-CG 3.43Å; A25-K31 VanDerWaalsContact CB-CG 3.43Å; A25-K31 PolarHBondContact O-NZ 3.36Å; A25-V123 HydrophobicContact CB-CB 3.72Å; A25-V123 HydrophobicContact CB-CG2 4.31Å; A25-V123 WeakPolarHBondContact CB-O 3.22Å
26H85.1Confident89.7Confident13 Ų1314.6 Ų14.66%0.069%0.086CC..  trans-52.8159.2162-166.356.2000112.2H29 K31 C131 Q133H26-H29 AromaticContact CD2-CD2 3.98Å; H26-H29 AromaticContact CD2-NE2 3.8Å; H26-K31 PolarHBondContact O-NZ 3.08Å; H26-C131 HydrophobicContact CB-CB 4.26Å; H26-Q133 HydrophobicContact CB-CB 4.49Å; H26-Q133 PolarHBondContact CE1-OE1 3.12Å; H26-Q133 WeakPolarHBondContact ND1-CB 3.45Å; H26-Q133 PolarHBondContact ND1-OE1 3.43Å
27V83.1Confident89.9Confident10 Ų1012.9 Ų12.96%0.0617%0.068CC..THydrogen-bonded Turntrans-55.2147.1169.2-173.90000109.8H29 I67 G102 H103 L1362V27-H29 PolarHBondContact O-N 3.47Å; V27-I67 HydrophobicContact CG1-CG2 3.97Å; V27-G102 WeakPolarHBondContact CG2-O 3.39Å; V27-H103 HydrophobicContact CG2-CB 4.3Å; V27-L1362 HydrophobicContact CB-CD1 4.38Å
28D83.9Confident90.1Very high92 Ų9210.3 Ų10.349%0.4926%0.059SC..THydrogen-bonded Turntrans57.34179.4-60.6-36.7000118.1G30 K154D28-G30 PolarHBondContact O-N 3.38Å; D28-G30 VanDerWaalsContact O-N 3.08Å; D28-K154 WeakPolarHBondContact O-CE 3.45Å; D28-K154 PolarHBondContact O-NZ 3.39Å
29H88.1Confident90Very high0 Ų010.3 Ų10.30%06%0.059CC..SBendtrans-67.1-1.5169.6-81.5-158.3000114.5A25 H26 V27 V123 D125 E128 N153A25-H29 HydrophobicContact CB-CB 3.84Å; H26-H29 AromaticContact CD2-CD2 3.98Å; H26-H29 AromaticContact CD2-NE2 3.8Å; V27-H29 PolarHBondContact O-N 3.47Å; H29-V123 PolarHBondContact ND1-O 2.7Å; H29-V123 WeakPolarHBondContact O-CG1 3.36Å; H29-D125 PolarHBondContact ND1-N 2.78Å; H29-E128 IonicContact CD2-OE2 3.84Å; H29-E128 IonicContact NE2-OE2 2.89Å; H29-N153 PolarHBondContact O-ND2 3.2Å
30G87Confident89.8Confident13 Ų1310.4 Ų10.413%0.1346%0.064CC..SBendtrans89.524.5172.800000116.3D28 T33 M34D28-G30 PolarHBondContact O-N 3.38Å; D28-G30 VanDerWaalsContact O-N 3.08Å; G30-T33 WeakPolarHBondContact O-CB 3.37Å; G30-T33 PolarHBondContact O-N 2.84Å; G30-M34 WeakPolarHBondContact O-CB 3.38Å; G30-M34 PolarHBondContact O-N 2.93Å
31K89.3Confident89.4Confident12 Ų1212.1 Ų12.15%0.0528%0.075CC..Hα-helixtrans-49.5-61.2177.3-64.8-172.2-74.8-73.20113.1I23 A25 H26 T33 M34 A35 S100I23-K31 HydrophobicContact CG2-CB 3.8Å; I23-K31 HydrophobicContact CG2-CD 4.14Å; I23-K31 HydrophobicContact CG2-CG 3.74Å; A25-K31 HydrophobicContact CB-CD 3.65Å; A25-K31 HydrophobicContact CB-CG 3.43Å; A25-K31 VanDerWaalsContact CB-CG 3.43Å; A25-K31 PolarHBondContact O-NZ 3.36Å; H26-K31 PolarHBondContact O-NZ 3.08Å; K31-T33 VanDerWaalsContact C-N 3.26Å; K31-T33 PolarHBondContact O-N 3.18Å; K31-M34 CarbonylContact O-C 3.59Å; K31-M34 WeakPolarHBondContact O-CA 3.49Å; K31-M34 WeakPolarHBondContact O-CB 3.37Å; K31-M34 PolarHBondContact O-N 3.39Å; K31-A35 PolarHBondContact O-N 2.95Å; K31-S100 VanDerWaalsContact CE-O 3.25Å; K31-S100 WeakPolarHBondContact CE-O 3.38Å
32T88.9Confident88.9Confident13 Ų1313.2 Ų13.28%0.088%0.081CC..Hα-helixtrans-62.1-34.3-177.1-28.20000111.7A35 D36 R54 M56 T68T32-A35 PolarHBondContact O-N 3.42Å; T32-D36 WeakPolarHBondContact O-CB 3.19Å; T32-D36 PolarHBondContact O-N 3.15Å; T32-R54 HydrophobicContact CG2-CB 4.03Å; T32-R54 HydrophobicContact CG2-CG 4.5Å; T32-M56 HydrophobicContact CG2-CB 4.23Å; T32-T68 PolarHBondContact OG1-OG1 2.88Å
33T89.9Confident88.2Confident29 Ų2915.6 Ų15.618%0.17811%0.105CC..Hα-helixtrans-66.6-36.8174-42.20000112G30 K31 A37G30-T33 WeakPolarHBondContact O-CB 3.37Å; G30-T33 PolarHBondContact O-N 2.84Å; K31-T33 VanDerWaalsContact C-N 3.26Å; K31-T33 PolarHBondContact O-N 3.18Å; T33-A37 PolarHBondContact O-N 3.03Å
34M91.9Very high87.5Confident0 Ų017.6 Ų17.60%012%0.116CC..Hα-helixtrans-73.8-37.9175.1-168.8-17970.600111.5I23 G30 K31 A37 L38 I121 V123 A151 L372I23-M34 HydrophobicContact CB-CE 4.37Å; I23-M34 HydrophobicContact CD1-CE 3.7Å; I23-M34 HydrophobicContact CG1-CE 3.79Å; I23-M34 HydrophobicContact CG2-CE 3.64Å; G30-M34 WeakPolarHBondContact O-CB 3.38Å; G30-M34 PolarHBondContact O-N 2.93Å; K31-M34 CarbonylContact O-C 3.59Å; K31-M34 WeakPolarHBondContact O-CA 3.49Å; K31-M34 WeakPolarHBondContact O-CB 3.37Å; K31-M34 PolarHBondContact O-N 3.39Å; M34-A37 WeakPolarHBondContact O-CB 3.37Å; M34-A37 PolarHBondContact O-N 2.94Å; M34-L38 PolarHBondContact O-N 2.78Å; M34-I121 HydrophobicContact CE-CB 4.41Å; M34-I121 HydrophobicContact CE-CG2 3.72Å; M34-I121 HydrophobicContact SD-CG2 4.46Å; M34-V123 HydrophobicContact CE-CG2 3.45Å; M34-V123 VanDerWaalsContact CE-CG2 3.45Å; M34-V123 HydrophobicContact SD-CG2 4.02Å; M34-A151 HydrophobicContact SD-CB 4.13Å; M34-L372 HydrophobicContact CG-CD1 3.45Å; M34-L372 VanDerWaalsContact CG-CD1 3.45Å; M34-L372 HydrophobicContact SD-CD1 3.79Å; M34-L372 HydrophobicContact SD-CD2 4.33Å
35A90.8Very high86.9Confident0 Ų018 Ų180%012%0.118CC..Hα-helixtrans-58.8-52.2170.200000110.6I23 K31 T32 A37 L38 L39 M56 L97I23-A35 HydrophobicContact CD1-CB 3.96Å; K31-A35 PolarHBondContact O-N 2.95Å; T32-A35 PolarHBondContact O-N 3.42Å; A35-A37 PolarHBondContact O-N 3.35Å; A35-L38 WeakPolarHBondContact O-CA 3.26Å; A35-L38 WeakPolarHBondContact O-CB 2.83Å; A35-L38 PolarHBondContact O-N 3Å; A35-L39 WeakPolarHBondContact O-CG 3.36Å; A35-L39 PolarHBondContact O-N 3.45Å; A35-M56 HydrophobicContact CB-CG 4.01Å; A35-L97 HydrophobicContact CB-CD2 4.32Å
36D89.5Confident86.4Confident0 Ų020.2 Ų20.20%013%0.133CC..Hα-helixtrans-52.2-29.8173.5-95.18.2000113.4T32 A40 S50 G51 R54 Y55T32-D36 WeakPolarHBondContact O-CB 3.19Å; T32-D36 PolarHBondContact O-N 3.15Å; D36-A40 PolarHBondContact O-N 3.05Å; D36-S50 PolarHBondContact O-OG 3.47Å; D36-G51 WeakPolarHBondContact OD2-CA 3.49Å; D36-G51 PolarHBondContact OD2-N 3.38Å; D36-R54 WeakPolarHBondContact OD2-CA 3.35Å; D36-R54 PolarHBondContact OD2-N 2.9Å; D36-Y55 PolarHBondContact OD1-N 3.21Å
37A89.2Confident86Confident6 Ų623.4 Ų23.45%0.0516%0.157CC..Hα-helixtrans-75.3-36.317600000112.3T33 M34 A35 A40 T41 S50 L368T33-A37 PolarHBondContact O-N 3.03Å; M34-A37 WeakPolarHBondContact O-CB 3.37Å; M34-A37 PolarHBondContact O-N 2.94Å; A35-A37 PolarHBondContact O-N 3.35Å; A37-A40 PolarHBondContact O-N 3.34Å; A37-T41 PolarHBondContact O-N 3.16Å; A37-T41 PolarHBondContact O-OG1 3.03Å; A37-S50 WeakPolarHBondContact CA-OG 3.35Å; A37-S50 PolarHBondContact N-OG 3.34Å; A37-L368 HydrophobicContact CB-CB 4.44Å; A37-L368 HydrophobicContact CB-CD2 3.82Å; A37-L368 HydrophobicContact CB-CG 4.13Å
38L90.5Very high85.7Confident1 Ų131.6 Ų31.61%0.00519%0.187CC..Hα-helixtrans-67.6-38.7170.8-69.7167.6000111.8M34 A35 A40 T41 L76 L97 L372 M373M34-L38 PolarHBondContact O-N 2.78Å; A35-L38 WeakPolarHBondContact O-CA 3.26Å; A35-L38 WeakPolarHBondContact O-CB 2.83Å; A35-L38 PolarHBondContact O-N 3Å; L38-A40 VanDerWaalsContact C-N 3.27Å; L38-A40 PolarHBondContact O-N 2.93Å; L38-T41 WeakPolarHBondContact O-CB 3.34Å; L38-T41 PolarHBondContact O-N 2.84Å; L38-L76 HydrophobicContact CB-CD1 3.87Å; L38-L97 HydrophobicContact CB-CD2 4.32Å; L38-L97 HydrophobicContact CD1-CD1 4.02Å; L38-L97 HydrophobicContact CD1-CD2 3.72Å; L38-L372 HydrophobicContact CD2-CB 3.71Å; L38-L372 HydrophobicContact CD2-CD1 4.3Å; L38-L372 HydrophobicContact CG-CD1 4.28Å; L38-M373 HydrophobicContact CD2-CG 3.77Å; L38-M373 HydrophobicContact CD2-SD 4.07Å
39L89.1Confident85.4Confident0 Ų031.3 Ų31.30%018%0.182CC..Hα-helixtrans-64.4-33175.3-56.8-166.9000112.6A35 N42 G43 I44 V45 Y55 M56 I74 L76A35-L39 WeakPolarHBondContact O-CG 3.36Å; A35-L39 PolarHBondContact O-N 3.45Å; L39-N42 PolarHBondContact O-N 3.35Å; L39-G43 PolarHBondContact O-N 2.74Å; L39-I44 HydrophobicContact CB-CB 4.4Å; L39-I44 PolarHBondContact O-N 3.08Å; L39-I44 VanDerWaalsContact O-N 3.09Å; L39-V45 HydrophobicContact CB-CB 4.4Å; L39-V45 HydrophobicContact CB-CG2 3.96Å; L39-V45 HydrophobicContact CD1-CG2 4.09Å; L39-Y55 HydrophobicContact CD1-CD1 3.37Å; L39-Y55 HydrophobicContact CD1-CE1 4.25Å; L39-Y55 HydrophobicContact CD1-CG 3.9Å; L39-M56 HydrophobicContact CD1-CG 4.41Å; L39-M56 HydrophobicContact CD1-SD 4.13Å; L39-I74 HydrophobicContact CD1-CD1 4.38Å; L39-I74 HydrophobicContact CD2-CD1 3.65Å; L39-I74 HydrophobicContact CD2-CG1 4.28Å; L39-I74 HydrophobicContact CD2-CG2 3.96Å; L39-L76 HydrophobicContact CD2-CD1 4.32Å; L39-L76 HydrophobicContact CD2-CD2 3.7Å
40A87.5Confident84.7Confident25 Ų2531.4 Ų31.421%0.20718%0.183CC..Hα-helixtrans-66.9-37.9176.900000112.4D36 A37 L38 N42 G43 V45D36-A40 PolarHBondContact O-N 3.05Å; A37-A40 PolarHBondContact O-N 3.34Å; L38-A40 VanDerWaalsContact C-N 3.27Å; L38-A40 PolarHBondContact O-N 2.93Å; A40-N42 PolarHBondContact O-N 3.13Å; A40-G43 PolarHBondContact O-N 2.86Å; A40-V45 WeakPolarHBondContact CA-O 3.48Å
41T85.6Confident84Confident37 Ų3732 Ų3223%0.22719%0.189CC..Hα-helixtrans-58.3-36.2173.6-58.60000112.2A37 L38 G43 G369A37-T41 PolarHBondContact O-N 3.16Å; A37-T41 PolarHBondContact O-OG1 3.03Å; L38-T41 WeakPolarHBondContact O-CB 3.34Å; L38-T41 PolarHBondContact O-N 2.84Å; T41-G43 VanDerWaalsContact C-N 3.31Å; T41-G369 VanDerWaalsContact OG1-CA 3.31Å; T41-G369 WeakPolarHBondContact OG1-CA 3.18Å
42N83.4Confident83.5Confident22 Ų2239.3 Ų39.312%0.11822%0.221CC..THydrogen-bonded Turntrans-79.4-11177.1-96.4-102.7000113.8R4 L39 A40 I44 L76 I77R4-N42 PolarHBondContact NH2-O 2.96Å; L39-N42 PolarHBondContact O-N 3.35Å; A40-N42 PolarHBondContact O-N 3.13Å; N42-I44 HydrophobicContact CB-CD1 4.14Å; N42-I44 HydrophobicContact CB-CG1 4.11Å; N42-L76 HydrophobicContact CB-CD2 4.14Å; N42-I77 PolarHBondContact ND2-O 3.48Å; N42-I77 PolarHBondContact OD1-N 3.36Å; N42-I77 PolarHBondContact OD1-O 2.86Å; N42-I77 VanDerWaalsContact OD1-O 3.11Å
43G79.5Confident82.9Confident50 Ų5043 Ų4352%0.51524%0.239SC..THydrogen-bonded Turntrans65.938.7-171.600000112.5R4 L39 A40 T41R4-G43 PolarHBondContact NH2-O 3.13Å; L39-G43 PolarHBondContact O-N 2.74Å; A40-G43 PolarHBondContact O-N 2.86Å; T41-G43 VanDerWaalsContact C-N 3.31Å
44I80.4Confident82.5Confident43 Ų4345.6 Ų45.622%0.22125%0.246CC..SBendtrans-88-46.8167.4-62.5172.6000108.7L39 N42 Y55 I74 L76L39-I44 HydrophobicContact CB-CB 4.4Å; L39-I44 PolarHBondContact O-N 3.08Å; L39-I44 VanDerWaalsContact O-N 3.09Å; N42-I44 HydrophobicContact CB-CD1 4.14Å; N42-I44 HydrophobicContact CB-CG1 4.11Å; I44-Y55 HydrophobicContact CG2-CE1 4.05Å; I44-I74 HydrophobicContact CD1-CD1 4.04Å; I44-I74 HydrophobicContact CD1-CG1 4.47Å; I44-L76 HydrophobicContact CD1-CD2 3.88Å
45V80.7Confident82Confident8 Ų848.9 Ų48.95%0.04826%0.259CS..SBendtrans-106.5143.9172.5-177.50000108.9L39 A40 Q49 L53 Y55L39-V45 HydrophobicContact CB-CB 4.4Å; L39-V45 HydrophobicContact CB-CG2 3.96Å; L39-V45 HydrophobicContact CD1-CG2 4.09Å; A40-V45 WeakPolarHBondContact CA-O 3.48Å; V45-Q49 HydrophobicContact CG1-CB 4.12Å; V45-L53 HydrophobicContact CG1-CD1 4.37Å; V45-Y55 HydrophobicContact CG2-CD2 4.21Å; V45-Y55 HydrophobicContact CG2-CG 4.01Å
46S80.6Confident81.6Confident50 Ų5048.9 Ų48.935%0.3526%0.259SS..  trans-70.9143174.175.90000110.9R48 Q49 S50S46-R48 PolarHBondContact O-N 2.64Å; S46-Q49 PolarHBondContact O-N 2.8Å; S46-Q49 WeakPolarHBondContact OG-CB 3.32Å; S46-Q49 VanDerWaalsContact OG-CD 3.31Å; S46-Q49 WeakPolarHBondContact OG-CG 3.49Å; S46-Q49 PolarHBondContact OG-N 3.27Å; S46-Q49 PolarHBondContact OG-OE1 3.34Å; S46-S50 PolarHBondContact O-N 3.11Å
47S76.9Confident81.4Confident80 Ų8048.9 Ų48.956%0.55926%0.259SS*.THydrogen-bonded Turntrans-57.1-24.2-179.6560000114R359S47-R359 PolarHBondContact O-NH2 3.18Å
48R77.9Confident80.7Confident183 Ų18351 Ų5169%0.69127%0.269SS*.THydrogen-bonded Turntrans-78.1-28.4174.7-63.5-178.3-178.7165.12.3113.8S46S46-R48 PolarHBondContact O-N 2.64Å
49Q75.9Confident80.1Confident85 Ų8552.2 Ų52.240%0.39728%0.277SS..THydrogen-bonded Turntrans-97.3-19.6-178.9-72169-46.100113.3V45 S46 G51 K52 L53V45-Q49 HydrophobicContact CG1-CB 4.12Å; S46-Q49 PolarHBondContact O-N 2.8Å; S46-Q49 WeakPolarHBondContact OG-CB 3.32Å; S46-Q49 VanDerWaalsContact OG-CD 3.31Å; S46-Q49 WeakPolarHBondContact OG-CG 3.49Å; S46-Q49 PolarHBondContact OG-N 3.27Å; S46-Q49 PolarHBondContact OG-OE1 3.34Å; Q49-G51 PolarHBondContact O-N 2.94Å; Q49-K52 WeakPolarHBondContact O-CB 3.06Å; Q49-K52 PolarHBondContact O-N 2.69Å; Q49-L53 HydrophobicContact CB-CD1 3.68Å; Q49-L53 HydrophobicContact CB-CG 4.03Å; Q49-L53 HydrophobicContact CG-CD1 4.16Å; Q49-L53 PolarHBondContact O-N 2.63Å
50S74.7Confident79.7Confident3 Ų358.1 Ų58.12%0.02130%0.304CS..THydrogen-bonded Turntrans-47.2133.21721790000111D36 A37 S46 K52 R359D36-S50 PolarHBondContact O-OG 3.47Å; A37-S50 WeakPolarHBondContact CA-OG 3.35Å; A37-S50 PolarHBondContact N-OG 3.34Å; S46-S50 PolarHBondContact O-N 3.11Å; S50-K52 PolarHBondContact O-N 2.91Å; S50-R359 PolarHBondContact O-NH1 2.97Å; S50-R359 PolarHBondContact O-NH2 3.04Å
51G72.2Confident79.3Confident24 Ų2457.2 Ų57.225%0.24730%0.298CS..THydrogen-bonded Turntrans78.3-7.4-17900000114.9D36 Q49D36-G51 WeakPolarHBondContact OD2-CA 3.49Å; D36-G51 PolarHBondContact OD2-N 3.38Å; Q49-G51 PolarHBondContact O-N 2.94Å
52K77.8Confident79.2Confident166 Ų16655.5 Ų55.572%0.72229%0.287SS*.THydrogen-bonded Turntrans-104.3-33.9173.1-64.6-172.7175.7-173.20113.1Q49 S50Q49-K52 WeakPolarHBondContact O-CB 3.06Å; Q49-K52 PolarHBondContact O-N 2.69Å; S50-K52 PolarHBondContact O-N 2.91Å
53L76.2Confident79.2Confident90 Ų9059.8 Ų59.847%0.47131%0.306SS..SBendtrans-85.2-22.8-175.1-73.1179.1000114.1V45 Q49 Y55V45-L53 HydrophobicContact CG1-CD1 4.37Å; Q49-L53 HydrophobicContact CB-CD1 3.68Å; Q49-L53 HydrophobicContact CB-CG 4.03Å; Q49-L53 HydrophobicContact CG-CD1 4.16Å; Q49-L53 PolarHBondContact O-N 2.63Å; L53-Y55 PolarHBondContact O-N 3.33Å
54R82Confident79.4Confident84 Ų8465.2 Ų65.232%0.31732%0.318SS..  trans51.155.3-178.4-58.9-179.6176.4-136.68.7111.8T32 D36 M56 D57 G66T32-R54 HydrophobicContact CG2-CB 4.03Å; T32-R54 HydrophobicContact CG2-CG 4.5Å; D36-R54 WeakPolarHBondContact OD2-CA 3.35Å; D36-R54 PolarHBondContact OD2-N 2.9Å; R54-M56 PolarHBondContact O-N 3.16Å; R54-D57 HydrophobicContact CB-CB 4.27Å; R54-D57 WeakPolarHBondContact CD-OD2 3.35Å; R54-D57 IonicContact NH1-OD2 3.83Å; R54-D57 WeakPolarHBondContact O-CB 3.35Å; R54-D57 PolarHBondContact O-N 3.37Å; R54-G66 PolarHBondContact NH1-O 3.17Å
55Y82.4Confident79.5Confident70 Ų7066.8 Ų66.828%0.27532%0.322SS..THydrogen-bonded Turntrans-62.2-22.7-165.6179.8-89.7000114.3D36 L39 I44 V45 L53 I74 G648D36-Y55 PolarHBondContact OD1-N 3.21Å; L39-Y55 HydrophobicContact CD1-CD1 3.37Å; L39-Y55 HydrophobicContact CD1-CE1 4.25Å; L39-Y55 HydrophobicContact CD1-CG 3.9Å; I44-Y55 HydrophobicContact CG2-CE1 4.05Å; V45-Y55 HydrophobicContact CG2-CD2 4.21Å; V45-Y55 HydrophobicContact CG2-CG 4.01Å; L53-Y55 PolarHBondContact O-N 3.33Å; Y55-I74 HydrophobicContact CE1-CD1 4.1Å; Y55-G648 WeakPolarHBondContact OH-CA 3.44Å; Y55-G648 PolarHBondContact OH-O 2.84Å
56M81.6Confident79.6Confident0 Ų067.1 Ų67.10%033%0.327CS..THydrogen-bonded Turntrans-76.6-24176.6-60.7-59.3-72.700113.6T32 A35 L39 R54 N58 S72 I74 D99T32-M56 HydrophobicContact CG2-CB 4.23Å; A35-M56 HydrophobicContact CB-CG 4.01Å; L39-M56 HydrophobicContact CD1-CG 4.41Å; L39-M56 HydrophobicContact CD1-SD 4.13Å; R54-M56 PolarHBondContact O-N 3.16Å; M56-N58 VanDerWaalsContact C-N 3.3Å; M56-N58 PolarHBondContact O-N 3.12Å; M56-N58 PolarHBondContact O-ND2 3.33Å; M56-S72 WeakPolarHBondContact CE-O 3.28Å; M56-I74 HydrophobicContact CE-CB 4.15Å; M56-I74 HydrophobicContact CE-CG2 3.71Å; M56-I74 HydrophobicContact SD-CB 4.28Å; M56-I74 HydrophobicContact SD-CD1 4.25Å; M56-I74 HydrophobicContact SD-CG2 3.86Å; M56-D99 HydrophobicContact CB-CB 4.22Å; M56-D99 HydrophobicContact CE-CB 3.96Å; M56-D99 HydrophobicContact CG-CB 4.28Å
57D84.6Confident79.8Confident0 Ų066.1 Ų66.10%032%0.317CS..  trans-77.880.4175.9-67.7-21.1000108.1R54 E62 Q63 T68R54-D57 HydrophobicContact CB-CB 4.27Å; R54-D57 WeakPolarHBondContact CD-OD2 3.35Å; R54-D57 IonicContact NH1-OD2 3.83Å; R54-D57 WeakPolarHBondContact O-CB 3.35Å; R54-D57 PolarHBondContact O-N 3.37Å; D57-E62 HydrophobicContact CB-CB 3.79Å; D57-Q63 HydrophobicContact CB-CG 4.24Å; D57-Q63 WeakPolarHBondContact O-CG 3.37Å; D57-Q63 PolarHBondContact O-NE2 3.44Å; D57-T68 WeakPolarHBondContact OD1-CA 3.25Å; D57-T68 WeakPolarHBondContact OD1-CB 3.38Å; D57-T68 PolarHBondContact OD1-OG1 3.48Å
58N75.6Confident80.2Confident50 Ų5062.6 Ų62.627%0.26729%0.292SS..  trans-73.6-26.4-170.6-73.4-78.5000113.3M56 E62M56-N58 VanDerWaalsContact C-N 3.3Å; M56-N58 PolarHBondContact O-N 3.12Å; M56-N58 PolarHBondContact O-ND2 3.33Å; N58-E62 PolarHBondContact N-OE2 3.04Å
59T77.8Confident80.4Confident27 Ų2754.1 Ų54.117%0.16626%0.26CS..SBendtrans-91.1146.4-176.7670000112.2G61 E62 Q63 K70T59-G61 PolarHBondContact O-N 3.13Å; T59-E62 WeakPolarHBondContact CB-OE2 3.31Å; T59-E62 PolarHBondContact N-OE2 2.83Å; T59-E62 PolarHBondContact O-N 3.31Å; T59-E62 VanDerWaalsContact O-N 3.09Å; T59-E62 WeakPolarHBondContact OG1-CB 3.18Å; T59-E62 WeakPolarHBondContact OG1-CG 3.4Å; T59-E62 PolarHBondContact OG1-N 3.28Å; T59-E62 PolarHBondContact OG1-OE2 3.04Å; T59-Q63 PolarHBondContact O-N 2.98Å; T59-K70 HydrophobicContact CG2-CD 4.11Å
60E80Confident80.8Confident123 Ų12350.3 Ų50.358%0.57524%0.243SC*.Hα-helixtrans-54.6-42.3175.7-61.2170.7154.700111.4E62 Q63 E64 K782E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 2.95Å; E60-Q63 PolarHBondContact O-N 3.38Å; E60-E64 WeakPolarHBondContact O-CB 3.47Å; E60-E64 WeakPolarHBondContact O-CG 3.22Å; E60-E64 PolarHBondContact O-N 2.85Å; E60-K782 IonicContact OE2-NZ 3.25Å; E60-K782 PolarHBondContact OE2-NZ 3.49Å
61G79.5Confident81.3Confident6 Ų650.7 Ų50.76%0.06225%0.245CC..Hα-helixtrans-65.8-29.217900000114.2T59 R65T59-G61 PolarHBondContact O-N 3.13Å; G61-R65 WeakPolarHBondContact O-CB 3.38Å; G61-R65 WeakPolarHBondContact O-CG 3.3Å; G61-R65 PolarHBondContact O-N 3.49Å; G61-R65 VanDerWaalsContact O-N 3.09Å
62E82.7Confident81.9Confident1 Ų149.7 Ų49.71%0.00523%0.234CC..Hα-helixtrans-71.7-41172.3-73.8164.7139.400111D57 N58 T59 E60 G66 I67 M69 K70D57-E62 HydrophobicContact CB-CB 3.79Å; N58-E62 PolarHBondContact N-OE2 3.04Å; T59-E62 WeakPolarHBondContact CB-OE2 3.31Å; T59-E62 PolarHBondContact N-OE2 2.83Å; T59-E62 PolarHBondContact O-N 3.31Å; T59-E62 VanDerWaalsContact O-N 3.09Å; T59-E62 WeakPolarHBondContact OG1-CB 3.18Å; T59-E62 WeakPolarHBondContact OG1-CG 3.4Å; T59-E62 PolarHBondContact OG1-N 3.28Å; T59-E62 PolarHBondContact OG1-OE2 3.04Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 2.95Å; E62-G66 VanDerWaalsContact O-CA 3.29Å; E62-G66 WeakPolarHBondContact O-CA 3.36Å; E62-G66 PolarHBondContact O-N 3.49Å; E62-I67 WeakPolarHBondContact CA-O 3.4Å; E62-I67 WeakPolarHBondContact CB-O 3.32Å; E62-I67 WeakPolarHBondContact CG-O 3.33Å; E62-I67 PolarHBondContact O-N 2.88Å; E62-M69 HydrophobicContact CG-CB 3.8Å; E62-M69 HydrophobicContact CG-CE 3.79Å; E62-M69 HydrophobicContact CG-CG 3.8Å; E62-M69 WeakPolarHBondContact OE1-CA 3.21Å; E62-M69 PolarHBondContact OE1-N 2.93Å; E62-K70 PolarHBondContact OE1-N 3.47Å
63Q83.9Confident82.4Confident112 Ų11242 Ų4252%0.52320%0.202SC..Hα-helixtrans-68.7-41179-64.7178.419.100112.2D57 T59 E60D57-Q63 HydrophobicContact CB-CG 4.24Å; D57-Q63 WeakPolarHBondContact O-CG 3.37Å; D57-Q63 PolarHBondContact O-NE2 3.44Å; T59-Q63 PolarHBondContact O-N 2.98Å; E60-Q63 PolarHBondContact O-N 3.38Å
64E84.6Confident83Confident164 Ų16437.8 Ų37.877%0.76618%0.179SC*.Hα-helixtrans-69.4-48.5177-73.7178.1176.600112.4E60 G66E60-E64 WeakPolarHBondContact O-CB 3.47Å; E60-E64 WeakPolarHBondContact O-CG 3.22Å; E60-E64 PolarHBondContact O-N 2.85Å; E64-G66 PolarHBondContact O-N 2.76Å
65R82.4Confident83.3Confident77 Ų7734 Ų3429%0.29117%0.166SC..Hα-helixtrans-70.6-22.5176.8-67.4175.7167103.3-0.7112.4G61 I67 E778G61-R65 WeakPolarHBondContact O-CB 3.38Å; G61-R65 WeakPolarHBondContact O-CG 3.3Å; G61-R65 PolarHBondContact O-N 3.49Å; G61-R65 VanDerWaalsContact O-N 3.09Å; R65-I67 VanDerWaalsContact C-N 3.31Å; R65-I67 HydrophobicContact CB-CD1 4.48Å; R65-I67 HydrophobicContact CB-CG1 3.93Å; R65-I67 PolarHBondContact O-N 3.26Å; R65-E778 IonicContact CZ-OE1 3.87Å; R65-E778 IonicContact CZ-OE2 2.77Å; R65-E778 IonicContact NH1-OE1 3.41Å; R65-E778 PolarHBondContact NH1-OE1 3.43Å; R65-E778 IonicContact NH1-OE2 2.77Å; R65-E778 PolarHBondContact NH1-OE2 3.35Å; R65-E778 IonicContact NH2-OE1 2.64Å; R65-E778 PolarHBondContact NH2-OE1 3.36Å; R65-E778 IonicContact NH2-OE2 3.81Å
66G82Confident83.6Confident15 Ų1530.7 Ų30.716%0.15515%0.153CC..THydrogen-bonded Turntrans70.124-175.400000113.9R54 E62 E64R54-G66 PolarHBondContact NH1-O 3.17Å; E62-G66 VanDerWaalsContact O-CA 3.29Å; E62-G66 WeakPolarHBondContact O-CA 3.36Å; E62-G66 PolarHBondContact O-N 3.49Å; E64-G66 PolarHBondContact O-N 2.76Å
67I84.1Confident83.9Confident28 Ų2831.8 Ų31.814%0.14416%0.159CC..SBendtrans-131.9138.7177.766.1179.2000110.5V27 E62 R65 M69 I771V27-I67 HydrophobicContact CG1-CG2 3.97Å; E62-I67 WeakPolarHBondContact CA-O 3.4Å; E62-I67 WeakPolarHBondContact CB-O 3.32Å; E62-I67 WeakPolarHBondContact CG-O 3.33Å; E62-I67 PolarHBondContact O-N 2.88Å; R65-I67 VanDerWaalsContact C-N 3.31Å; R65-I67 HydrophobicContact CB-CD1 4.48Å; R65-I67 HydrophobicContact CB-CG1 3.93Å; R65-I67 PolarHBondContact O-N 3.26Å; I67-M69 HydrophobicContact CG1-CG 4.17Å; I67-I771 HydrophobicContact CD1-CG2 4.32Å
68T85.5Confident83.9Confident7 Ų732.1 Ų32.14%0.04316%0.16CC..  trans-70.5130.4170.4-46.10000109.7T32 D57 P101T32-T68 PolarHBondContact OG1-OG1 2.88Å; D57-T68 WeakPolarHBondContact OD1-CA 3.25Å; D57-T68 WeakPolarHBondContact OD1-CB 3.38Å; D57-T68 PolarHBondContact OD1-OG1 3.48Å; T68-P101 WeakPolarHBondContact O-CB 3.29Å
69M83.8Confident84.3Confident4 Ų432 Ų322%0.0216%0.16CC..  trans-119.6-24.3-175.5-61.4-164.9-68.300113.2E62 I67 F106 K775E62-M69 HydrophobicContact CG-CB 3.8Å; E62-M69 HydrophobicContact CG-CE 3.79Å; E62-M69 HydrophobicContact CG-CG 3.8Å; E62-M69 WeakPolarHBondContact OE1-CA 3.21Å; E62-M69 PolarHBondContact OE1-N 2.93Å; I67-M69 HydrophobicContact CG1-CG 4.17Å; M69-F106 HydrophobicContact CB-CD2 4.37Å; M69-F106 HydrophobicContact CB-CE2 3.81Å; M69-F106 HydrophobicContact CB-CZ 3.91Å; M69-F106 HydrophobicContact CG-CE2 3.63Å; M69-F106 HydrophobicContact CG-CZ 3.9Å; M69-F106 HydrophobicContact SD-CE2 4.24Å; M69-F106 HydrophobicContact SD-CZ 4.02Å; M69-K775 HydrophobicContact CB-CD 4.38Å; M69-K775 PolarHBondContact O-NZ 3.41Å; M69-K775 HydrophobicContact SD-CB 4.34Å
70K83.9Confident84.2Confident6 Ų635.7 Ų35.73%0.02617%0.171CC..SBendtrans-122.5131.5-179.8-66175.7-175.4173.30110.3T59 E62 S72 D779T59-K70 HydrophobicContact CG2-CD 4.11Å; E62-K70 PolarHBondContact OE1-N 3.47Å; K70-S72 PolarHBondContact O-N 2.69Å; K70-D779 WeakPolarHBondContact CE-OD2 3.49Å; K70-D779 IonicContact NZ-OD1 3.9Å; K70-D779 PolarHBondContact NZ-OD1 3.46Å; K70-D779 IonicContact NZ-OD2 3.51Å; K70-D779 PolarHBondContact NZ-OD2 3.06Å
71S84.3Confident83.5Confident11 Ų1135.2 Ų35.28%0.07717%0.167CC..  trans-64.2126.8175.2-65.90000110.8D99 P101 E109 Q650S71-D99 WeakPolarHBondContact CA-O 3.45Å; S71-P101 WeakPolarHBondContact OG-CD 3.32Å; S71-E109 PolarHBondContact N-OE2 3.43Å; S71-E109 PolarHBondContact OG-O 2.83Å; S71-Q650 PolarHBondContact O-NE2 3.31Å
72S84.1Confident82.3Confident2 Ų240 Ų401%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-125.2138.3-175.2-73.80000111.4M56 K70 V98 D99 Q650M56-S72 WeakPolarHBondContact CE-O 3.28Å; K70-S72 PolarHBondContact O-N 2.69Å; S72-V98 WeakPolarHBondContact O-CA 3.37Å; S72-D99 PolarHBondContact N-O 3Å; S72-D99 VanDerWaalsContact N-O 3.14Å; S72-D99 PolarHBondContact O-N 3.31Å; S72-Q650 PolarHBondContact OG-NE2 3.5Å
73V88.9Confident80.4Confident6 Ų645.2 Ų45.24%0.03623%0.231CC..EExtended strand (participates in β ladder)trans-116.5141.3-173.9-173.70000111.2L97 V98 L532 L646 I665V73-L97 CarbonylContact C-O 3.56Å; V73-L97 WeakPolarHBondContact CA-O 3.43Å; V73-V98 HydrophobicContact CG1-CG2 4.21Å; V73-V98 HydrophobicContact CG2-CB 4.49Å; V73-V98 HydrophobicContact CG2-CG1 4.16Å; V73-V98 HydrophobicContact CG2-CG2 3.91Å; V73-L532 HydrophobicContact CG2-CD1 3.95Å; V73-L532 HydrophobicContact CG2-CD2 3.75Å; V73-L532 HydrophobicContact CG2-CG 4.48Å; V73-L646 HydrophobicContact CB-CD1 4.12Å; V73-L646 HydrophobicContact CG1-CD1 4.19Å; V73-I665 HydrophobicContact CG1-CG2 4.13Å
74I88.5Confident78.3Confident0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-145.9128.1178.6-169.3154000112.2L39 I44 Y55 M56 L76 L97L39-I74 HydrophobicContact CD1-CD1 4.38Å; L39-I74 HydrophobicContact CD2-CD1 3.65Å; L39-I74 HydrophobicContact CD2-CG1 4.28Å; L39-I74 HydrophobicContact CD2-CG2 3.96Å; I44-I74 HydrophobicContact CD1-CD1 4.04Å; I44-I74 HydrophobicContact CD1-CG1 4.47Å; Y55-I74 HydrophobicContact CE1-CD1 4.1Å; M56-I74 HydrophobicContact CE-CB 4.15Å; M56-I74 HydrophobicContact CE-CG2 3.71Å; M56-I74 HydrophobicContact SD-CB 4.28Å; M56-I74 HydrophobicContact SD-CD1 4.25Å; M56-I74 HydrophobicContact SD-CG2 3.86Å; I74-L76 HydrophobicContact CG1-CD2 4.19Å; I74-L76 HydrophobicContact CG2-CG 4.46Å; I74-L97 HydrophobicContact CG2-CB 3.89Å; I74-L97 HydrophobicContact CG2-CD2 4.25Å; I74-L97 HydrophobicContact CG2-CG 4.47Å; I74-L97 PolarHBondContact N-O 3.31Å; I74-L97 PolarHBondContact O-N 2.77Å
75G88.5Confident76.4Confident5 Ų542.9 Ų42.95%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-84.2114.6175.900000111.9L646G75-L646 PolarHBondContact N-O 3.23Å
76L88.4Confident74.6Confident0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-107.2135.4179.7-58.9-179.8000110.8L38 L39 N42 I44 I74 V95 L97 M373L38-L76 HydrophobicContact CB-CD1 3.87Å; L39-L76 HydrophobicContact CD2-CD1 4.32Å; L39-L76 HydrophobicContact CD2-CD2 3.7Å; N42-L76 HydrophobicContact CB-CD2 4.14Å; I44-L76 HydrophobicContact CD1-CD2 3.88Å; I74-L76 HydrophobicContact CG1-CD2 4.19Å; I74-L76 HydrophobicContact CG2-CG 4.46Å; L76-V95 HydrophobicContact CB-CB 4.38Å; L76-V95 PolarHBondContact N-O 3.38Å; L76-V95 PolarHBondContact O-N 2.88Å; L76-L97 HydrophobicContact CD1-CB 4.22Å; L76-L97 HydrophobicContact CD1-CD2 4.06Å; L76-M373 HydrophobicContact CB-CE 3.58Å; L76-M373 HydrophobicContact CD1-CE 4.07Å; L76-M373 HydrophobicContact CG-CE 4.47Å
77I87.8Confident73Confident24 Ų2454 Ų5412%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-97.9132.7176.7-53172.3000108R4 V7 L8 L11 N42 Y92R4-I77 HydrophobicContact CB-CD1 3.99Å; R4-I77 HydrophobicContact CG-CD1 4.02Å; V7-I77 HydrophobicContact CG1-CD1 4.42Å; V7-I77 HydrophobicContact CG1-CG2 4.21Å; L8-I77 HydrophobicContact CD1-CD1 4.38Å; L8-I77 HydrophobicContact CD2-CD1 3.96Å; L8-I77 HydrophobicContact CD2-CG1 3.97Å; L8-I77 HydrophobicContact CG-CD1 3.81Å; L8-I77 HydrophobicContact CG-CG1 4.39Å; L11-I77 HydrophobicContact CD1-CG2 3.9Å; N42-I77 PolarHBondContact ND2-O 3.48Å; N42-I77 PolarHBondContact OD1-N 3.36Å; N42-I77 PolarHBondContact OD1-O 2.86Å; N42-I77 VanDerWaalsContact OD1-O 3.11Å; I77-Y92 HydrophobicContact CG2-CD1 3.82Å; I77-Y92 HydrophobicContact CG2-CE1 4.44Å
78F86Confident71.5Confident6 Ų657.7 Ų57.73%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-127.5132.1176.6-172.3-119.4000110.8Y92 Y93 H370 M373 H374 T377F78-Y92 CarbonylContact O-C 3.58Å; F78-Y92 VanDerWaalsContact O-CA 3.26Å; F78-Y92 WeakPolarHBondContact O-CA 3.4Å; F78-Y93 PolarHBondContact N-O 3.16Å; F78-Y93 PolarHBondContact O-N 3.35Å; F78-H370 AromaticContact CE2-ND1 3.95Å; F78-M373 HydrophobicContact CB-CE 3.88Å; F78-M373 HydrophobicContact CB-SD 4.32Å; F78-M373 HydrophobicContact CD1-CB 4.04Å; F78-M373 HydrophobicContact CD2-CB 3.47Å; F78-M373 VanDerWaalsContact CD2-CB 3.47Å; F78-M373 HydrophobicContact CD2-CE 4.32Å; F78-M373 HydrophobicContact CD2-CG 3.78Å; F78-M373 HydrophobicContact CD2-SD 4.48Å; F78-M373 HydrophobicContact CE1-CB 3.96Å; F78-M373 HydrophobicContact CE2-CB 3.4Å; F78-M373 HydrophobicContact CE2-CG 4.09Å; F78-M373 HydrophobicContact CG-CB 3.8Å; F78-M373 HydrophobicContact CG-CE 4.39Å; F78-M373 HydrophobicContact CG-CG 4.23Å; F78-M373 HydrophobicContact CG-SD 4.43Å; F78-M373 HydrophobicContact CZ-CB 3.65Å; F78-H374 AromaticContact CE1-CE1 3.96Å; F78-H374 AromaticContact CE1-ND1 3.82Å; F78-H374 AromaticContact CZ-CD2 3.91Å; F78-H374 AromaticContact CZ-CE1 3.67Å; F78-H374 AromaticContact CZ-CG 3.97Å; F78-H374 AromaticContact CZ-ND1 3.83Å; F78-H374 AromaticContact CZ-NE2 3.72Å; F78-T377 HydrophobicContact CD1-CG2 3.93Å; F78-T377 HydrophobicContact CE1-CG2 4.37Å
79N83.7Confident70.1Confident47 Ų4762.1 Ų62.125%0.25134%0.335SS..EExtended strand (participates in β ladder)trans-101.5123.1167.3-176.7-16.9000108.5K81 D91 Y92N79-K81 PolarHBondContact OD1-N 2.84Å; N79-K81 PolarHBondContact OD1-O 2.89Å; N79-D91 WeakPolarHBondContact OD1-CB 3.19Å; N79-Y92 HydrophobicContact CB-CD1 3.83Å; N79-Y92 HydrophobicContact CB-CE1 3.7Å
80R75.4Confident69Low106 Ų10668.4 Ų68.440%0.436%0.364SS..SBendtrans-72.1-29.3-177.9-163.2177.8-171-162.84.1113.2D91 Y93 D378R80-D91 PolarHBondContact N-O 3.11Å; R80-Y93 HydrophobicContact CB-CD2 4.45Å; R80-Y93 HydrophobicContact CB-CE2 4.08Å; R80-D378 IonicContact CZ-OD1 3.97Å; R80-D378 IonicContact NE-OD1 3.7Å; R80-D378 IonicContact NH2-OD1 3.64Å; R80-D378 PolarHBondContact NH2-OD1 2.92Å
81K64.4Low68.4Low113 Ų11370 Ų7049%0.49137%0.372SS..  trans-10896.5179.8-63.6-160.1-164.584.50111.1N79 S83 D91N79-K81 PolarHBondContact OD1-N 2.84Å; N79-K81 PolarHBondContact OD1-O 2.89Å; K81-S83 PolarHBondContact O-N 3.49Å; K81-D91 WeakPolarHBondContact CD-OD2 3.28Å; K81-D91 HydrophobicContact CG-CB 4.48Å; K81-D91 WeakPolarHBondContact CG-OD2 3.42Å; K81-D91 IonicContact NZ-OD1 2.63Å; K81-D91 PolarHBondContact NZ-OD1 3.38Å; K81-D91 IonicContact NZ-OD2 3.07Å; K81-D91 PolarHBondContact NZ-OD2 3.28Å
82V55.1Low68.4Low106 Ų10672.7 Ų72.764%0.64238%0.381SS*.  trans-81.2-1174.6-177.20000112.2
83S42.7Very low68.6Low111 Ų11174.4 Ų74.478%0.77639%0.388SS*.SBendtrans-135.653.4-160-50.80000115.8K81K81-S83 PolarHBondContact O-N 3.49Å
84S39.7Very low68.6Low84 Ų8474.1 Ų74.159%0.58739%0.386SS*.SBendtrans-169.7166.8154.948.60000111.2D86S84-D86 VanDerWaalsContact C-N 3.29Å; S84-D86 PolarHBondContact O-N 3.38Å
85V45.7Very low68.8Low142 Ų14274.1 Ų74.186%0.86139%0.386SS*.SBendtrans-80.3-4.2-162.7178.30000114
86D43.9Very low68.9Low122 Ų12273.9 Ų73.965%0.65238%0.384SS*.  trans-90.9111.2-170.1-57.4-45000112.5S84 N88S84-D86 VanDerWaalsContact C-N 3.29Å; S84-D86 PolarHBondContact O-N 3.38Å; D86-N88 PolarHBondContact O-N 3.14Å
87K48Very low69.1Low203 Ų20373.9 Ų73.988%0.88338%0.384SS*.  trans-77.557.4177.7-63.4178.2-179.5172.70112.4
88N52.5Low69.3Low106 Ų10672.8 Ų72.857%0.56738%0.378SS*.  trans-87.5124.2172.8-69-6.9000109.6D86 E90D86-N88 PolarHBondContact O-N 3.14Å; N88-E90 PolarHBondContact O-N 3.22Å
89D56.8Low69.6Low101 Ų10172.5 Ų72.554%0.5438%0.377SS..G310 helixtrans-66.57.8-179.5-72.6-37.8000114.2R17R17-D89 PolarHBondContact NH1-O 2.81Å
90E59.8Low69.8Low135 Ų13570.3 Ų70.363%0.63137%0.365SS*.G310 helixtrans-82.7-23.2-172.2-62.5-162.2151.800115.1R17 N88R17-E90 PolarHBondContact NE-O 2.95Å; R17-E90 PolarHBondContact NH1-O 3.08Å; R17-E90 PolarHBondContact NH2-O 3.22Å; N88-E90 PolarHBondContact O-N 3.22Å
91D72.6Confident70.4Confident39 Ų3965.4 Ų65.421%0.20935%0.347CS..G310 helixtrans-91.67.3-174.3-76.1-49.1000114.6N79 R80 K81N79-D91 WeakPolarHBondContact OD1-CB 3.19Å; R80-D91 PolarHBondContact N-O 3.11Å; K81-D91 WeakPolarHBondContact CD-OD2 3.28Å; K81-D91 HydrophobicContact CG-CB 4.48Å; K81-D91 WeakPolarHBondContact CG-OD2 3.42Å; K81-D91 IonicContact NZ-OD1 2.63Å; K81-D91 PolarHBondContact NZ-OD1 3.38Å; K81-D91 IonicContact NZ-OD2 3.07Å; K81-D91 PolarHBondContact NZ-OD2 3.28Å
92Y83.5Confident71.1Confident68 Ų6860.6 Ų60.627%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-88.8140.2-180-71.4-83.8000112.9V7 L11 R17 I77 F78 N79V7-Y92 HydrophobicContact CG1-CD1 4.41Å; V7-Y92 HydrophobicContact CG1-CG 4.46Å; L11-Y92 WeakPolarHBondContact CD2-O 3.09Å; R17-Y92 WeakPolarHBondContact CD-O 3.26Å; I77-Y92 HydrophobicContact CG2-CD1 3.82Å; I77-Y92 HydrophobicContact CG2-CE1 4.44Å; F78-Y92 CarbonylContact O-C 3.58Å; F78-Y92 VanDerWaalsContact O-CA 3.26Å; F78-Y92 WeakPolarHBondContact O-CA 3.4Å; N79-Y92 HydrophobicContact CB-CD1 3.83Å; N79-Y92 HydrophobicContact CB-CE1 3.7Å
93Y88.6Confident72.3Confident39 Ų3956.9 Ų56.915%0.15331%0.305CS..EExtended strand (participates in β ladder)trans-123.6148.5176.1-69.3-100.2000110.7R17 F78 R80 T377R17-Y93 HydrophobicContact CB-CD1 4.3Å; R17-Y93 WeakPolarHBondContact O-CA 3.39Å; F78-Y93 PolarHBondContact N-O 3.16Å; F78-Y93 PolarHBondContact O-N 3.35Å; R80-Y93 HydrophobicContact CB-CD2 4.45Å; R80-Y93 HydrophobicContact CB-CE2 4.08Å; Y93-T377 HydrophobicContact CD1-CG2 4.03Å; Y93-T377 HydrophobicContact CD2-CG2 4.05Å; Y93-T377 HydrophobicContact CE1-CG2 4.42Å; Y93-T377 HydrophobicContact CE2-CG2 4.46Å; Y93-T377 HydrophobicContact CG-CG2 3.82Å
94L89.5Confident73.9Confident0 Ų053.7 Ų53.70%028%0.281CS..EExtended strand (participates in β ladder)trans-105.9111.817217761.4000109.2L8 T12 R17 I18 R19L8-L94 HydrophobicContact CD2-CD1 3.92Å; T12-L94 HydrophobicContact CG2-CD2 4.08Å; R17-L94 PolarHBondContact O-N 3.47Å; I18-L94 CarbonylContact C-O 3.47Å; I18-L94 WeakPolarHBondContact CA-O 3.33Å; I18-L94 HydrophobicContact CG1-CD2 4.48Å; R19-L94 PolarHBondContact N-O 3.48Å
95V91.4Very high75.8Confident0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-103.4106.3176.6-178.80000108.6R19 V21 L76 L97 M373 I376R19-V95 HydrophobicContact CB-CG2 4.37Å; R19-V95 CarbonylContact O-C 3.57Å; R19-V95 WeakPolarHBondContact O-CA 3.15Å; V21-V95 HydrophobicContact CG2-CG1 4.44Å; L76-V95 HydrophobicContact CB-CB 4.38Å; L76-V95 PolarHBondContact N-O 3.38Å; L76-V95 PolarHBondContact O-N 2.88Å; V95-L97 PolarHBondContact O-N 2.84Å; V95-M373 HydrophobicContact CB-CE 4.43Å; V95-M373 HydrophobicContact CB-SD 4.27Å; V95-M373 HydrophobicContact CG1-SD 4.43Å; V95-M373 HydrophobicContact CG2-CE 4.4Å; V95-M373 HydrophobicContact CG2-SD 3.95Å; V95-I376 HydrophobicContact CG1-CD1 4.17Å; V95-I376 HydrophobicContact CG1-CG2 4.01Å; V95-I376 HydrophobicContact CG2-CG2 4.03Å
96N92.2Very high77.6Confident0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-81.2104.2169.9-66.9-35.8000108.1R19 N20 V21 N664 I665R19-N96 PolarHBondContact O-N 3.3Å; N20-N96 WeakPolarHBondContact OD1-CB 3.15Å; N20-N96 PolarHBondContact OD1-ND2 2.81Å; V21-N96 PolarHBondContact N-O 2.85Å; N96-N664 PolarHBondContact ND2-OD1 2.69Å; N96-I665 HydrophobicContact CB-CD1 4.2Å
97L92.8Very high79.4Confident0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-92.8129.3179.1-17570.2000109.9V21 I23 A35 L38 V73 I74 L76 V95V21-L97 CarbonylContact O-C 3.43Å; V21-L97 WeakPolarHBondContact O-CA 3.37Å; I23-L97 HydrophobicContact CD1-CD1 3.91Å; I23-L97 HydrophobicContact CD1-CD2 4.25Å; I23-L97 HydrophobicContact CD1-CG 4.4Å; I23-L97 HydrophobicContact CG1-CD1 3.93Å; A35-L97 HydrophobicContact CB-CD2 4.32Å; L38-L97 HydrophobicContact CB-CD2 4.32Å; L38-L97 HydrophobicContact CD1-CD1 4.02Å; L38-L97 HydrophobicContact CD1-CD2 3.72Å; V73-L97 CarbonylContact C-O 3.56Å; V73-L97 WeakPolarHBondContact CA-O 3.43Å; I74-L97 HydrophobicContact CG2-CB 3.89Å; I74-L97 HydrophobicContact CG2-CD2 4.25Å; I74-L97 HydrophobicContact CG2-CG 4.47Å; I74-L97 PolarHBondContact N-O 3.31Å; I74-L97 PolarHBondContact O-N 2.77Å; L76-L97 HydrophobicContact CD1-CB 4.22Å; L76-L97 HydrophobicContact CD1-CD2 4.06Å; V95-L97 PolarHBondContact O-N 2.84Å
98V91.4Very high80.9Confident1 Ų129.2 Ų29.21%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-112.8115.6173.2-172.60000109.1V21 C22 I23 S72 V73 A113 C117 I665V21-V98 PolarHBondContact O-N 3Å; C22-V98 CarbonylContact C-O 3.48Å; C22-V98 VanDerWaalsContact CA-O 3.28Å; C22-V98 WeakPolarHBondContact CA-O 2.91Å; C22-V98 HydrophobicContact CB-CB 4.26Å; I23-V98 PolarHBondContact N-O 3.49Å; S72-V98 WeakPolarHBondContact O-CA 3.37Å; V73-V98 HydrophobicContact CG1-CG2 4.21Å; V73-V98 HydrophobicContact CG2-CB 4.49Å; V73-V98 HydrophobicContact CG2-CG1 4.16Å; V73-V98 HydrophobicContact CG2-CG2 3.91Å; V98-A113 HydrophobicContact CG1-CB 3.72Å; V98-C117 WeakPolarHBondContact CG2-SG 3.37Å; V98-I665 HydrophobicContact CG2-CD1 4.17Å
99D91.3Very high82.5Confident0 Ų024.1 Ų24.10%012%0.122CC..EExtended strand (participates in β ladder)trans-85.6132.4169.6-156.65.2000108.8M56 S71 S72M56-D99 HydrophobicContact CB-CB 4.22Å; M56-D99 HydrophobicContact CE-CB 3.96Å; M56-D99 HydrophobicContact CG-CB 4.28Å; S71-D99 WeakPolarHBondContact CA-O 3.45Å; S72-D99 PolarHBondContact N-O 3Å; S72-D99 VanDerWaalsContact N-O 3.14Å; S72-D99 PolarHBondContact O-N 3.31Å
100S89.2Confident84Confident1 Ų119.5 Ų19.51%0.00710%0.098CC..  trans-120.3146.2-173.779.60000111.6I23 L24 K31I23-S100 PolarHBondContact O-OG 3.31Å; L24-S100 WeakPolarHBondContact CD2-OG 3.37Å; K31-S100 VanDerWaalsContact CE-O 3.25Å; K31-S100 WeakPolarHBondContact CE-O 3.38Å
101P87.3Confident85.1Confident3 Ų314 Ų142%0.0197%0.074CC..  trans-66.6141.1-178.326.5-32.3000111.1T68 S71 F106 E109 V110T68-P101 WeakPolarHBondContact O-CB 3.29Å; S71-P101 WeakPolarHBondContact OG-CD 3.32Å; P101-F106 HydrophobicContact CB-CB 3.72Å; P101-F106 HydrophobicContact CB-CD2 4.11Å; P101-F106 HydrophobicContact CB-CG 4.25Å; P101-F106 HydrophobicContact CG-CB 3.56Å; P101-F106 HydrophobicContact CG-CG 4.46Å; P101-E109 HydrophobicContact CG-CB 3.6Å; P101-V110 HydrophobicContact CG-CG2 3.99Å; P101-V110 WeakPolarHBondContact O-CG2 3.44Å
102G78.6Confident85.7Confident12 Ų1212.8 Ų12.812%0.1247%0.068CC..  trans-85.1-15.2178.300000115.1V27 Q133V27-G102 WeakPolarHBondContact CG2-O 3.39Å; G102-Q133 PolarHBondContact O-OE1 2.81Å
103H81.8Confident85.9Confident27 Ų279.6 Ų9.613%0.1256%0.055CC..SBendtrans-86145.5-167.6-158.9-85.9000112V27 D105 F106V27-H103 HydrophobicContact CG2-CB 4.3Å; H103-D105 VanDerWaalsContact C-N 3.32Å; H103-D105 IonicContact CE1-OD1 2.8Å; H103-D105 PolarHBondContact CE1-OD1 3.36Å; H103-D105 IonicContact CE1-OD2 3.08Å; H103-D105 PolarHBondContact ND1-N 2.98Å; H103-D105 IonicContact ND1-OD1 2.7Å; H103-D105 PolarHBondContact ND1-OD1 3.31Å; H103-D105 VanDerWaalsContact ND1-OD1 3.09Å; H103-D105 PolarHBondContact O-N 3.29Å; H103-F106 HydrophobicContact CB-CD2 3.87Å; H103-F106 HydrophobicContact CB-CE2 4.35Å; H103-F106 PolarHBondContact O-N 2.79Å; H103-F106 VanDerWaalsContact O-N 3.1Å
104V76.3Confident86Confident44 Ų447.8 Ų7.827%0.2675%0.048SC..G310 helixtrans-57.5-45.5-176.4-163.20000111.6F106 S107 Q133V104-F106 PolarHBondContact O-N 2.96Å; V104-S107 VanDerWaalsContact O-CB 3.3Å; V104-S107 WeakPolarHBondContact O-CB 3.33Å; V104-S107 PolarHBondContact O-N 3.03Å; V104-S107 PolarHBondContact O-OG 3.48Å; V104-Q133 HydrophobicContact CG2-CG 4.14Å
105D79.1Confident85.8Confident25 Ų258.6 Ų8.613%0.1345%0.052CC..G310 helixtrans-55.5-18.7179.8-54.825.9000114.1H103 G769 E770 I771 H772H103-D105 VanDerWaalsContact C-N 3.32Å; H103-D105 IonicContact CE1-OD1 2.8Å; H103-D105 PolarHBondContact CE1-OD1 3.36Å; H103-D105 IonicContact CE1-OD2 3.08Å; H103-D105 PolarHBondContact ND1-N 2.98Å; H103-D105 IonicContact ND1-OD1 2.7Å; H103-D105 PolarHBondContact ND1-OD1 3.31Å; H103-D105 VanDerWaalsContact ND1-OD1 3.09Å; H103-D105 PolarHBondContact O-N 3.29Å; D105-G769 VanDerWaalsContact OD2-CA 3.29Å; D105-G769 WeakPolarHBondContact OD2-CA 3.41Å; D105-E770 PolarHBondContact OD2-N 3.29Å; D105-I771 PolarHBondContact OD2-N 2.87Å; D105-H772 HydrophobicContact CB-CB 3.82Å
106F83.7Confident85.7Confident0 Ų08.7 Ų8.70%05%0.052CC..G310 helixtrans-110.721.8179.1-55.1-53.5000112.9M69 P101 H103 V104 S108 E109 V110 I771 H772 K775M69-F106 HydrophobicContact CB-CD2 4.37Å; M69-F106 HydrophobicContact CB-CE2 3.81Å; M69-F106 HydrophobicContact CB-CZ 3.91Å; M69-F106 HydrophobicContact CG-CE2 3.63Å; M69-F106 HydrophobicContact CG-CZ 3.9Å; M69-F106 HydrophobicContact SD-CE2 4.24Å; M69-F106 HydrophobicContact SD-CZ 4.02Å; P101-F106 HydrophobicContact CB-CB 3.72Å; P101-F106 HydrophobicContact CB-CD2 4.11Å; P101-F106 HydrophobicContact CB-CG 4.25Å; P101-F106 HydrophobicContact CG-CB 3.56Å; P101-F106 HydrophobicContact CG-CG 4.46Å; H103-F106 HydrophobicContact CB-CD2 3.87Å; H103-F106 HydrophobicContact CB-CE2 4.35Å; H103-F106 PolarHBondContact O-N 2.79Å; H103-F106 VanDerWaalsContact O-N 3.1Å; V104-F106 PolarHBondContact O-N 2.96Å; F106-S108 PolarHBondContact O-N 2.61Å; F106-S108 VanDerWaalsContact O-N 3.13Å; F106-E109 HydrophobicContact CB-CB 4.35Å; F106-E109 HydrophobicContact CB-CG 4.46Å; F106-E109 WeakPolarHBondContact O-CB 3.28Å; F106-E109 PolarHBondContact O-N 3.32Å; F106-V110 PolarHBondContact O-N 3.43Å; F106-V110 VanDerWaalsContact O-N 3.13Å; F106-I771 HydrophobicContact CE2-CG2 4.13Å; F106-I771 HydrophobicContact CZ-CG2 4.02Å; F106-H772 HydrophobicContact CD1-CB 4.14Å; F106-H772 HydrophobicContact CE1-CB 3.63Å; F106-H772 AromaticContact CE1-CG 3.99Å; F106-H772 HydrophobicContact CZ-CB 4.34Å; F106-K775 HydrophobicContact CD1-CD 4.33Å; F106-K775 HydrophobicContact CE1-CB 4.46Å; F106-K775 HydrophobicContact CE1-CD 3.44Å; F106-K775 VanDerWaalsContact CE1-CD 3.44Å; F106-K775 HydrophobicContact CZ-CB 4.4Å; F106-K775 HydrophobicContact CZ-CD 3.9Å
107S80.4Confident85.6Confident11 Ų118.7 Ų8.78%0.0775%0.052CC..Hα-helixtrans-55.6-26.917562.30000113.8V104 V110 S111 H716V104-S107 VanDerWaalsContact O-CB 3.3Å; V104-S107 WeakPolarHBondContact O-CB 3.33Å; V104-S107 PolarHBondContact O-N 3.03Å; V104-S107 PolarHBondContact O-OG 3.48Å; S107-V110 PolarHBondContact O-N 3.04Å; S107-S111 PolarHBondContact O-N 3.12Å; S107-H716 WeakPolarHBondContact CB-O 3.39Å; S107-H716 PolarHBondContact OG-O 2.77Å
108S80.8Confident85.6Confident1 Ų18.8 Ų8.81%0.0075%0.052CC..Hα-helixtrans-61.9-50.5171520000112.2F106 V110 S111 T112 C752F106-S108 PolarHBondContact O-N 2.61Å; F106-S108 VanDerWaalsContact O-N 3.13Å; S108-V110 VanDerWaalsContact C-N 3.28Å; S108-V110 PolarHBondContact O-N 3.03Å; S108-S111 PolarHBondContact O-N 3.16Å; S108-T112 PolarHBondContact O-N 2.93Å; S108-T112 PolarHBondContact O-OG1 3.3Å; S108-C752 WeakPolarHBondContact OG-CB 3.3Å
109E84.7Confident85.6Confident0 Ų08.8 Ų8.80%05%0.053CC..Hα-helixtrans-63.2-33.4176.6-66.9-102.8-149.400111.8S71 P101 F106 A113 K454 P751 K775S71-E109 PolarHBondContact N-OE2 3.43Å; S71-E109 PolarHBondContact OG-O 2.83Å; P101-E109 HydrophobicContact CG-CB 3.6Å; F106-E109 HydrophobicContact CB-CB 4.35Å; F106-E109 HydrophobicContact CB-CG 4.46Å; F106-E109 WeakPolarHBondContact O-CB 3.28Å; F106-E109 PolarHBondContact O-N 3.32Å; E109-A113 WeakPolarHBondContact O-CB 3.39Å; E109-A113 PolarHBondContact O-N 3.01Å; E109-K454 IonicContact OE1-NZ 2.81Å; E109-K454 PolarHBondContact OE1-NZ 3.13Å; E109-K454 IonicContact OE2-NZ 3.4Å; E109-K454 PolarHBondContact OE2-NZ 3.48Å; E109-P751 HydrophobicContact CG-CG 4.28Å; E109-K775 IonicContact OE1-NZ 3Å; E109-K775 PolarHBondContact OE1-NZ 3.08Å
110V88.8Confident85.7Confident4 Ų48.8 Ų8.82%0.0245%0.053CC..Hα-helixtrans-66-50.9171.5-177.70000110.8L24 P101 F106 S107 S108 T112 A113 V114 V137L24-V110 HydrophobicContact CD2-CG1 3.88Å; P101-V110 HydrophobicContact CG-CG2 3.99Å; P101-V110 WeakPolarHBondContact O-CG2 3.44Å; F106-V110 PolarHBondContact O-N 3.43Å; F106-V110 VanDerWaalsContact O-N 3.13Å; S107-V110 PolarHBondContact O-N 3.04Å; S108-V110 VanDerWaalsContact C-N 3.28Å; S108-V110 PolarHBondContact O-N 3.03Å; V110-T112 VanDerWaalsContact C-N 3.3Å; V110-T112 PolarHBondContact O-N 3.46Å; V110-A113 WeakPolarHBondContact O-CB 3.3Å; V110-A113 PolarHBondContact O-N 3.43Å; V110-V114 HydrophobicContact CG1-CG2 4.1Å; V110-V114 VanDerWaalsContact O-CG2 3.28Å; V110-V114 WeakPolarHBondContact O-CG2 3.37Å; V110-V114 PolarHBondContact O-N 2.9Å; V110-V137 HydrophobicContact CG1-CG1 4.36Å
111S84.1Confident86Confident19 Ų198.8 Ų8.813%0.1335%0.053CC..Hα-helixtrans-56.9-43.7177.3176.20000111.7S107 S108 A113 V114 R115S107-S111 PolarHBondContact O-N 3.12Å; S108-S111 PolarHBondContact O-N 3.16Å; S111-A113 PolarHBondContact O-N 3.38Å; S111-V114 PolarHBondContact O-N 2.8Å; S111-R115 PolarHBondContact O-N 2.77Å; S111-R115 VanDerWaalsContact O-N 3.11Å
112T83.9Confident86.4Confident13 Ų138.8 Ų8.88%0.085%0.053CC..Hα-helixtrans-58-42.9173.1-56.20000112.6S108 V110 A453 K454S108-T112 PolarHBondContact O-N 2.93Å; S108-T112 PolarHBondContact O-OG1 3.3Å; V110-T112 VanDerWaalsContact C-N 3.3Å; V110-T112 PolarHBondContact O-N 3.46Å; T112-A453 HydrophobicContact CG2-CB 3.66Å; T112-K454 HydrophobicContact CG2-CB 3.93Å
113A88.6Confident87.2Confident1 Ų18.2 Ų8.21%0.0085%0.047CC..Hα-helixtrans-70.1-42.5178.800000113.1V98 E109 V110 S111 R115 L116 C117V98-A113 HydrophobicContact CG1-CB 3.72Å; E109-A113 WeakPolarHBondContact O-CB 3.39Å; E109-A113 PolarHBondContact O-N 3.01Å; V110-A113 WeakPolarHBondContact O-CB 3.3Å; V110-A113 PolarHBondContact O-N 3.43Å; S111-A113 PolarHBondContact O-N 3.38Å; A113-R115 VanDerWaalsContact C-N 3.35Å; A113-R115 PolarHBondContact O-N 3Å; A113-L116 PolarHBondContact O-N 3.22Å; A113-C117 PolarHBondContact O-N 2.89Å; A113-C117 PolarHBondContact O-SG 3.34Å; A113-C117 VanDerWaalsContact O-SG 3.34Å
114V90Very high87.8Confident1 Ų17 Ų71%0.0064%0.041CC..Hα-helixtrans-59.8-44.2178.2171.50000110.5L24 V110 S111 L116 C117 E144 L146L24-V114 HydrophobicContact CD1-CG2 3.99Å; L24-V114 HydrophobicContact CD2-CG2 3.92Å; V110-V114 HydrophobicContact CG1-CG2 4.1Å; V110-V114 VanDerWaalsContact O-CG2 3.28Å; V110-V114 WeakPolarHBondContact O-CG2 3.37Å; V110-V114 PolarHBondContact O-N 2.9Å; S111-V114 PolarHBondContact O-N 2.8Å; V114-L116 VanDerWaalsContact C-N 3.26Å; V114-L116 PolarHBondContact O-N 3.09Å; V114-C117 PolarHBondContact O-N 3.1Å; V114-C117 VanDerWaalsContact O-N 3.11Å; V114-E144 HydrophobicContact CG1-CB 3.68Å; V114-E144 HydrophobicContact CG1-CG 3.67Å; V114-L146 HydrophobicContact CB-CD1 4.43Å; V114-L146 HydrophobicContact CG1-CD1 3.6Å; V114-L146 HydrophobicContact CG1-CG 4.14Å
115R85.4Confident88.5Confident18 Ų184.9 Ų4.97%0.0683%0.028CC..Hα-helixtrans-62.4-27.4179.1-165.764.4155.9-158.7-12.5114.3S111 A113 E144 M395 F451S111-R115 PolarHBondContact O-N 2.77Å; S111-R115 VanDerWaalsContact O-N 3.11Å; A113-R115 VanDerWaalsContact C-N 3.35Å; A113-R115 PolarHBondContact O-N 3Å; R115-E144 WeakPolarHBondContact CD-OE1 3.22Å; R115-E144 WeakPolarHBondContact CD-OE2 3.25Å; R115-E144 IonicContact CZ-OE1 2.82Å; R115-E144 IonicContact CZ-OE2 3.96Å; R115-E144 IonicContact NE-OE1 3.06Å; R115-E144 IonicContact NE-OE2 2.71Å; R115-E144 IonicContact NH1-OE1 3.95Å; R115-E144 PolarHBondContact NH1-OE1 3.28Å; R115-E144 IonicContact NH1-OE2 2.7Å; R115-E144 PolarHBondContact NH1-OE2 2.81Å; R115-M395 PolarHBondContact NH2-O 3.35Å; R115-M395 VanDerWaalsContact NH2-O 3.09Å; R115-F451 HydrophobicContact CB-CE1 4.25Å; R115-F451 HydrophobicContact CG-CD1 4.19Å; R115-F451 HydrophobicContact CG-CE1 3.53Å; R115-F451 HydrophobicContact CG-CZ 4.17Å
116L88.5Confident89.1Confident1 Ų13.8 Ų3.81%0.0052%0.022CC..Hα-helixtrans-80-25.9176.3-71.5172.4000112.9A113 V114 F451 A453 L532 R534 I665A113-L116 PolarHBondContact O-N 3.22Å; V114-L116 VanDerWaalsContact C-N 3.26Å; V114-L116 PolarHBondContact O-N 3.09Å; L116-F451 HydrophobicContact CD2-CD1 4.46Å; L116-A453 HydrophobicContact CD1-CB 3.91Å; L116-A453 HydrophobicContact CD2-CB 3.81Å; L116-A453 HydrophobicContact CG-CB 3.82Å; L116-L532 HydrophobicContact CD1-CD2 3.65Å; L116-L532 HydrophobicContact CD1-CG 3.92Å; L116-R534 HydrophobicContact CD2-CB 3.65Å; L116-R534 WeakPolarHBondContact O-CD 3.13Å; L116-R534 PolarHBondContact O-NH1 2.92Å; L116-I665 HydrophobicContact CB-CD1 4.18Å
117C91.3Very high89.3Confident0 Ų06.1 Ų6.10%04%0.036CC..  trans-90.7173.5-171.6-65.30000113.3C22 V98 A113 V114 R391 R534C22-C117 HydrophobicContact CB-CB 4.14Å; C22-C117 VanDerWaalsContact CB-SG 3.59Å; C22-C117 PolarHBondContact N-SG 2.86Å; V98-C117 WeakPolarHBondContact CG2-SG 3.37Å; A113-C117 PolarHBondContact O-N 2.89Å; A113-C117 PolarHBondContact O-SG 3.34Å; A113-C117 VanDerWaalsContact O-SG 3.34Å; V114-C117 PolarHBondContact O-N 3.1Å; V114-C117 VanDerWaalsContact O-N 3.11Å; C117-R391 PolarHBondContact O-NH2 2.98Å; C117-R534 PolarHBondContact O-NH1 3.27Å
118D91.7Very high89.2Confident2 Ų29.3 Ų9.31%0.0115%0.05CC..SBendtrans-117.7-23.8175.2-69.5-45.9000112.5N20 T147 A386 R391 R534N20-D118 HydrophobicContact CB-CB 4.48Å; N20-D118 PolarHBondContact ND2-OD2 3.36Å; N20-D118 PolarHBondContact O-N 2.9Å; D118-T147 PolarHBondContact O-N 2.76Å; D118-A386 HydrophobicContact CB-CB 3.61Å; D118-A386 WeakPolarHBondContact OD1-CB 3.5Å; D118-R391 IonicContact OD1-CZ 3.68Å; D118-R391 IonicContact OD1-NH1 2.77Å; D118-R391 PolarHBondContact OD1-NH1 2.95Å; D118-R391 IonicContact OD1-NH2 3.68Å; D118-R534 VanDerWaalsContact CG-NH2 3.29Å; D118-R534 IonicContact OD1-CZ 2.7Å; D118-R534 VanDerWaalsContact OD1-CZ 3.23Å; D118-R534 IonicContact OD1-NH1 3.4Å; D118-R534 PolarHBondContact OD1-NH1 3.45Å; D118-R534 IonicContact OD1-NH2 2.97Å; D118-R534 PolarHBondContact OD1-NH2 2.9Å; D118-R534 IonicContact OD2-CZ 3.72Å; D118-R534 IonicContact OD2-NH1 3.75Å; D118-R534 PolarHBondContact OD2-NH1 3.43Å; D118-R534 IonicContact OD2-NH2 3.79Å; D118-R534 PolarHBondContact OD2-NH2 3.41Å
119A92.4Very high89.4Confident1 Ų19.5 Ų9.51%0.0085%0.052CC..EExtended strand (participates in β ladder)trans-137.3158.1173.500000111.4N20 V21 C22 T147 C380N20-A119 PolarHBondContact O-N 3.2Å; N20-A119 VanDerWaalsContact O-N 3.17Å; V21-A119 WeakPolarHBondContact CA-O 3.45Å; C22-A119 PolarHBondContact N-O 2.87Å; A119-T147 CarbonylContact C-O 3.54Å; A119-T147 WeakPolarHBondContact CA-O 3.48Å; A119-T147 VanDerWaalsContact CB-O 3.3Å; A119-T147 WeakPolarHBondContact CB-O 3.43Å; A119-C380 HydrophobicContact CB-CB 3.72Å; A119-C380 WeakPolarHBondContact CB-SG 3.02Å
120A94.1Very high89.4Confident1 Ų19.6 Ų9.61%0.0085%0.053CC..EExtended strand (participates in β ladder)trans-127.5132.717800000111.5C22 L24 I122 A141 L146 T147 L148 L149C22-A120 WeakPolarHBondContact O-CA 3.38Å; L24-A120 HydrophobicContact CD1-CB 3.51Å; L24-A120 HydrophobicContact CG-CB 4.06Å; A120-I122 HydrophobicContact CB-CD1 4.31Å; A120-A141 HydrophobicContact CB-CB 4.32Å; A120-L146 HydrophobicContact CB-CD1 3.99Å; A120-T147 PolarHBondContact N-O 3.31Å; A120-L148 HydrophobicContact CB-CD2 4.08Å; A120-L149 PolarHBondContact O-N 3.09Å
121I95.5Very high88.9Confident1 Ų19.9 Ų9.91%0.0056%0.055CC..EExtended strand (participates in β ladder)trans-94.2108.4169.8-56.9173.9000108.3V21 C22 L24 M34 V123 L149 A151 I376V21-I121 HydrophobicContact CG1-CD1 3.77Å; V21-I121 HydrophobicContact CG1-CG1 3.71Å; C22-I121 PolarHBondContact O-N 3.12Å; L24-I121 PolarHBondContact N-O 3.04Å; M34-I121 HydrophobicContact CE-CB 4.41Å; M34-I121 HydrophobicContact CE-CG2 3.72Å; M34-I121 HydrophobicContact SD-CG2 4.46Å; I121-V123 HydrophobicContact CG2-CG2 4.31Å; I121-L149 CarbonylContact C-O 3.44Å; I121-L149 WeakPolarHBondContact CA-O 3.5Å; I121-L149 HydrophobicContact CG1-CD2 4.25Å; I121-L149 HydrophobicContact CG2-CD2 3.92Å; I121-A151 HydrophobicContact CG2-CB 3.78Å; I121-I376 HydrophobicContact CD1-CD1 4.03Å; I121-I376 HydrophobicContact CD1-CG1 4.17Å
122I95.3Very high88.4Confident3 Ų39.3 Ų9.32%0.0155%0.051CC..EExtended strand (participates in β ladder)trans-84.1111.8177-49.5-60.6000108.5L24 A120 V124 T134 L138 L149 L150 A151L24-I122 HydrophobicContact CB-CD1 3.95Å; L24-I122 HydrophobicContact CD1-CD1 4.03Å; L24-I122 CarbonylContact O-C 3.51Å; L24-I122 WeakPolarHBondContact O-CA 3.14Å; A120-I122 HydrophobicContact CB-CD1 4.31Å; I122-V124 HydrophobicContact CG2-CG2 4.14Å; I122-T134 HydrophobicContact CG2-CG2 4.13Å; I122-L138 HydrophobicContact CB-CD2 4.5Å; I122-L138 HydrophobicContact CD1-CD2 3.83Å; I122-L138 HydrophobicContact CD1-CG 4.44Å; I122-L138 HydrophobicContact CG1-CD2 3.74Å; I122-L138 HydrophobicContact CG2-CD2 4.07Å; I122-L138 HydrophobicContact CG2-CG 4.28Å; I122-L149 PolarHBondContact N-O 3.33Å; I122-L150 HydrophobicContact CB-CD1 4.45Å; I122-L150 HydrophobicContact CG2-CD1 4.42Å; I122-A151 PolarHBondContact O-N 3.29Å
123V95.2Very high88.2Confident0 Ų09 Ų90%05%0.049CC..EExtended strand (participates in β ladder)trans-96.9124.2179.4-163.50000110.9I23 L24 A25 H29 M34 I121 A151 N153I23-V123 HydrophobicContact CG2-CG2 3.77Å; L24-V123 PolarHBondContact O-N 2.76Å; A25-V123 HydrophobicContact CB-CB 3.72Å; A25-V123 HydrophobicContact CB-CG2 4.31Å; A25-V123 WeakPolarHBondContact CB-O 3.22Å; H29-V123 PolarHBondContact ND1-O 2.7Å; H29-V123 WeakPolarHBondContact O-CG1 3.36Å; M34-V123 HydrophobicContact CE-CG2 3.45Å; M34-V123 VanDerWaalsContact CE-CG2 3.45Å; M34-V123 HydrophobicContact SD-CG2 4.02Å; I121-V123 HydrophobicContact CG2-CG2 4.31Å; V123-A151 WeakPolarHBondContact CA-O 3.12Å; V123-A151 HydrophobicContact CG2-CB 4.39Å; V123-N153 HydrophobicContact CG1-CB 3.66Å
124V93.6Very high88.1Confident0 Ų09.1 Ų9.10%05%0.049CC..EExtended strand (participates in β ladder)trans-125.5126.3-178.8-1750000109.1I122 G129 T134 L150 A151 L152 N153 V176 V180I122-V124 HydrophobicContact CG2-CG2 4.14Å; V124-G129 WeakPolarHBondContact CG1-O 3.43Å; V124-T134 HydrophobicContact CG2-CG2 4.08Å; V124-L150 HydrophobicContact CB-CD1 4.34Å; V124-L150 HydrophobicContact CG2-CD1 3.66Å; V124-A151 PolarHBondContact N-O 2.91Å; V124-L152 HydrophobicContact CB-CD2 4.17Å; V124-N153 PolarHBondContact O-N 2.91Å; V124-V176 HydrophobicContact CG1-CG1 3.74Å; V124-V180 HydrophobicContact CG2-CG2 4.32Å
125D91.8Very high87.9Confident0 Ų012.1 Ų12.10%06%0.06CC..EExtended strand (participates in β ladder)trans-72.1126.7169.8-178.1-17.2000109.2H29 V127 E128 G129 K154 R157H29-D125 PolarHBondContact ND1-N 2.78Å; D125-V127 PolarHBondContact O-N 2.97Å; D125-V127 WeakPolarHBondContact OD1-CB 3.44Å; D125-V127 PolarHBondContact OD1-N 3.3Å; D125-E128 HydrophobicContact CB-CB 4.17Å; D125-E128 PolarHBondContact O-N 2.98Å; D125-G129 PolarHBondContact O-N 3.3Å; D125-K154 HydrophobicContact CB-CD 4.45Å; D125-K154 WeakPolarHBondContact OD2-CD 3.39Å; D125-K154 WeakPolarHBondContact OD2-CE 3.39Å; D125-K154 IonicContact OD2-NZ 2.66Å; D125-K154 PolarHBondContact OD2-NZ 2.99Å; D125-R157 IonicContact OD1-NH1 3.76Å; D125-R157 IonicContact OD2-CZ 3.6Å; D125-R157 IonicContact OD2-NH1 2.76Å; D125-R157 PolarHBondContact OD2-NH1 3.3Å
126V91.6Very high87.7Confident2 Ų213.8 Ų13.81%0.0127%0.072CC..THydrogen-bonded Turntrans-68.8-17.6-178.3-176.10000113L152 N153 I155 L158 T172 M173 V176V126-L152 HydrophobicContact CG2-CB 3.72Å; V126-L152 HydrophobicContact CG2-CD2 4.4Å; V126-L152 HydrophobicContact CG2-CG 4.47Å; V126-N153 WeakPolarHBondContact CG2-O 3.45Å; V126-N153 PolarHBondContact N-O 3.15Å; V126-N153 VanDerWaalsContact N-O 3.11Å; V126-I155 HydrophobicContact CG2-CG1 3.96Å; V126-L158 HydrophobicContact CG1-CD1 3.8Å; V126-L158 HydrophobicContact CG1-CD2 4.34Å; V126-L158 HydrophobicContact CG1-CG 4.38Å; V126-T172 HydrophobicContact CG1-CG2 4.08Å; V126-M173 HydrophobicContact CG1-CG 3.72Å; V126-V176 HydrophobicContact CG1-CG2 4.43Å
127V86.6Confident87.7Confident49 Ų4914.6 Ų14.630%0.2978%0.078SC..THydrogen-bonded Turntrans-83.3-41.5174.2176.60000112.4D125 R157 L158 I162D125-V127 PolarHBondContact O-N 2.97Å; D125-V127 WeakPolarHBondContact OD1-CB 3.44Å; D125-V127 PolarHBondContact OD1-N 3.3Å; V127-R157 HydrophobicContact CG2-CB 3.56Å; V127-R157 HydrophobicContact CG2-CG 4.45Å; V127-L158 HydrophobicContact CG2-CD2 3.91Å; V127-I162 HydrophobicContact CB-CD1 4.41Å; V127-I162 HydrophobicContact CG1-CD1 3.88Å; V127-I162 HydrophobicContact CG2-CD1 3.79Å
128E80.2Confident87.6Confident78 Ų7814.7 Ų14.736%0.3648%0.078SC..THydrogen-bonded Turntrans-90.3-26.7-173.7-67.6163-155.100112H29 D125 K154 R157H29-E128 IonicContact CD2-OE2 3.84Å; H29-E128 IonicContact NE2-OE2 2.89Å; D125-E128 HydrophobicContact CB-CB 4.17Å; D125-E128 PolarHBondContact O-N 2.98Å; E128-K154 IonicContact OE1-NZ 2.91Å; E128-R157 IonicContact OE1-CZ 3.52Å; E128-R157 IonicContact OE1-NH1 2.71Å; E128-R157 PolarHBondContact OE1-NH1 3.48Å
129G84Confident87.4Confident5 Ų519.6 Ų19.65%0.05210%0.096CC..  trans71.1-147.1177.200000113.3V124 D125 C131V124-G129 WeakPolarHBondContact CG1-O 3.43Å; D125-G129 PolarHBondContact O-N 3.3Å; G129-C131 PolarHBondContact O-N 3.01Å; G129-C131 VanDerWaalsContact O-N 3.14Å
130V83.9Confident87Confident3 Ų319.9 Ų19.92%0.01810%0.098CC..SBendtrans-86.787.5-173.7-173.10000111.8T134 R135 Q179 V180 V183V130-T134 HydrophobicContact CG1-CG2 4.33Å; V130-R135 HydrophobicContact CG1-CG 4.04Å; V130-Q179 HydrophobicContact CB-CB 4.29Å; V130-Q179 HydrophobicContact CG2-CB 3.57Å; V130-V180 HydrophobicContact CG2-CB 4.37Å; V130-V180 HydrophobicContact CG2-CG2 3.42Å; V130-V180 VanDerWaalsContact CG2-CG2 3.42Å; V130-V183 HydrophobicContact CG1-CG2 4.21Å
131C79.4Confident86.8Confident9 Ų919.9 Ų19.96%0.06110%0.097CC..  trans-65156.8173.3-50.30000112.8H26 G129 Q133 T134 R135H26-C131 HydrophobicContact CB-CB 4.26Å; G129-C131 PolarHBondContact O-N 3.01Å; G129-C131 VanDerWaalsContact O-N 3.14Å; C131-Q133 PolarHBondContact O-N 3.37Å; C131-T134 VanDerWaalsContact O-CB 3.24Å; C131-T134 WeakPolarHBondContact O-CB 3.16Å; C131-T134 PolarHBondContact O-N 2.92Å; C131-R135 PolarHBondContact O-N 3.38Å
132P74.5Confident86.4Confident8 Ų820 Ų205%0.05210%0.098CC..Hα-helixtrans-53.7-40.8177.6-31.838.3000115.5T134 R135 T136 Q1364P132-T134 VanDerWaalsContact C-N 3.29Å; P132-T134 PolarHBondContact O-N 3.48Å; P132-R135 WeakPolarHBondContact O-CB 3.38Å; P132-R135 PolarHBondContact O-N 3.29Å; P132-R135 VanDerWaalsContact O-N 3.11Å; P132-T136 PolarHBondContact O-N 3.15Å; P132-T136 PolarHBondContact O-OG1 3.2Å; P132-Q1364 HydrophobicContact CB-CG 3.51Å; P132-Q1364 HydrophobicContact CG-CG 4.28Å
133Q78.6Confident85.8Confident7 Ų721.9 Ų21.93%0.03311%0.108CC..Hα-helixtrans-62.5-36.5176.2-69175.8-6.800112.1H26 G102 V104 C131 R135 T136 V137H26-Q133 HydrophobicContact CB-CB 4.49Å; H26-Q133 PolarHBondContact CE1-OE1 3.12Å; H26-Q133 WeakPolarHBondContact ND1-CB 3.45Å; H26-Q133 PolarHBondContact ND1-OE1 3.43Å; G102-Q133 PolarHBondContact O-OE1 2.81Å; V104-Q133 HydrophobicContact CG2-CG 4.14Å; C131-Q133 PolarHBondContact O-N 3.37Å; Q133-R135 PolarHBondContact O-N 3.22Å; Q133-T136 PolarHBondContact O-N 2.92Å; Q133-V137 WeakPolarHBondContact O-CB 3.34Å; Q133-V137 VanDerWaalsContact O-CG2 3.3Å; Q133-V137 WeakPolarHBondContact O-CG2 3.44Å; Q133-V137 PolarHBondContact O-N 3.12Å
134T86.2Confident85.1Confident2 Ų223 Ų231%0.01211%0.113CC..Hα-helixtrans-58.8-37.9176-49.30000110.6I122 V124 V130 C131 P132 L138I122-T134 HydrophobicContact CG2-CG2 4.13Å; V124-T134 HydrophobicContact CG2-CG2 4.08Å; V130-T134 HydrophobicContact CG1-CG2 4.33Å; C131-T134 VanDerWaalsContact O-CB 3.24Å; C131-T134 WeakPolarHBondContact O-CB 3.16Å; C131-T134 PolarHBondContact O-N 2.92Å; P132-T134 VanDerWaalsContact C-N 3.29Å; P132-T134 PolarHBondContact O-N 3.48Å; T134-L138 HydrophobicContact CG2-CD1 4.07Å; T134-L138 WeakPolarHBondContact O-CB 3.23Å; T134-L138 WeakPolarHBondContact O-CD1 3.44Å; T134-L138 WeakPolarHBondContact O-CG 3.31Å; T134-L138 PolarHBondContact O-N 2.66Å
135R85.4Confident84.6Confident64 Ų6424.6 Ų24.624%0.24212%0.119CC..Hα-helixtrans-65.5-47.2174.2-60.5-179.5164.7-168.1-14.9112.4V130 C131 P132 Q133 V137 L138 R139 V183V130-R135 HydrophobicContact CG1-CG 4.04Å; C131-R135 PolarHBondContact O-N 3.38Å; P132-R135 WeakPolarHBondContact O-CB 3.38Å; P132-R135 PolarHBondContact O-N 3.29Å; P132-R135 VanDerWaalsContact O-N 3.11Å; Q133-R135 PolarHBondContact O-N 3.22Å; R135-V137 VanDerWaalsContact C-N 3.35Å; R135-V137 PolarHBondContact O-N 2.81Å; R135-L138 PolarHBondContact O-N 2.82Å; R135-R139 WeakPolarHBondContact O-CB 3.43Å; R135-R139 PolarHBondContact O-N 2.92Å; R135-V183 HydrophobicContact CB-CG1 4.37Å; R135-V183 HydrophobicContact CG-CG1 4.1Å; R135-V183 HydrophobicContact CG-CG2 3.99Å
136T82.8Confident84.5Confident53 Ų5324.8 Ų24.833%0.32512%0.12SC..Hα-helixtrans-60.2-44.9178.1-54.60000111.6P132 Q133 R139 Q140P132-T136 PolarHBondContact O-N 3.15Å; P132-T136 PolarHBondContact O-OG1 3.2Å; Q133-T136 PolarHBondContact O-N 2.92Å; T136-R139 WeakPolarHBondContact O-CB 3.45Å; T136-R139 PolarHBondContact O-N 3.37Å; T136-Q140 WeakPolarHBondContact O-CG 3.45Å; T136-Q140 PolarHBondContact O-N 3.45Å
137V87.1Confident84.4Confident19 Ų1927 Ų2712%0.11513%0.134CC..Hα-helixtrans-74.6-34.2-177.6178.10000111.7L24 V110 Q133 R135 R139 Q140 A141L24-V137 HydrophobicContact CB-CG1 3.55Å; L24-V137 HydrophobicContact CD1-CG1 3.59Å; L24-V137 HydrophobicContact CD2-CG1 3.82Å; L24-V137 HydrophobicContact CG-CG1 3.83Å; V110-V137 HydrophobicContact CG1-CG1 4.36Å; Q133-V137 WeakPolarHBondContact O-CB 3.34Å; Q133-V137 VanDerWaalsContact O-CG2 3.3Å; Q133-V137 WeakPolarHBondContact O-CG2 3.44Å; Q133-V137 PolarHBondContact O-N 3.12Å; R135-V137 VanDerWaalsContact C-N 3.35Å; R135-V137 PolarHBondContact O-N 2.81Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-Q140 PolarHBondContact O-N 3.25Å; V137-A141 WeakPolarHBondContact O-CB 3.39Å; V137-A141 PolarHBondContact O-N 2.88Å
138L90.5Very high84.7Confident1 Ų125.8 Ų25.81%0.00513%0.125CC..Hα-helixtrans-59.7-43.8167.2-82.5166.6000111.4I122 T134 R135 A141 W142 L148 V180 V183 L184 M187I122-L138 HydrophobicContact CB-CD2 4.5Å; I122-L138 HydrophobicContact CD1-CD2 3.83Å; I122-L138 HydrophobicContact CD1-CG 4.44Å; I122-L138 HydrophobicContact CG1-CD2 3.74Å; I122-L138 HydrophobicContact CG2-CD2 4.07Å; I122-L138 HydrophobicContact CG2-CG 4.28Å; T134-L138 HydrophobicContact CG2-CD1 4.07Å; T134-L138 WeakPolarHBondContact O-CB 3.23Å; T134-L138 WeakPolarHBondContact O-CD1 3.44Å; T134-L138 WeakPolarHBondContact O-CG 3.31Å; T134-L138 PolarHBondContact O-N 2.66Å; R135-L138 PolarHBondContact O-N 2.82Å; L138-A141 PolarHBondContact O-N 3.2Å; L138-W142 VanDerWaalsContact O-CB 3.27Å; L138-W142 WeakPolarHBondContact O-CB 3.47Å; L138-W142 PolarHBondContact O-N 3.02Å; L138-L148 HydrophobicContact CD2-CD1 4.14Å; L138-V180 HydrophobicContact CD1-CG1 4.16Å; L138-V183 HydrophobicContact CD1-CG1 4.06Å; L138-L184 HydrophobicContact CD2-CD2 4.43Å; L138-M187 HydrophobicContact CB-CE 4.05Å
139R86.7Confident85.4Confident105 Ų10522.1 Ų22.140%0.39611%0.108SC..Hα-helixtrans-61-48.4177.7-165.4170.6-75.1157.8-4.3111.2R135 T136 V137 A141 W142 D143 E186 M187R135-R139 WeakPolarHBondContact O-CB 3.43Å; R135-R139 PolarHBondContact O-N 2.92Å; T136-R139 WeakPolarHBondContact O-CB 3.45Å; T136-R139 PolarHBondContact O-N 3.37Å; V137-R139 VanDerWaalsContact C-N 3.34Å; R139-A141 PolarHBondContact O-N 2.7Å; R139-W142 WeakPolarHBondContact O-CB 3.02Å; R139-W142 PolarHBondContact O-N 3.42Å; R139-W142 VanDerWaalsContact O-N 3.11Å; R139-D143 PolarHBondContact O-N 3.48Å; R139-E186 IonicContact NH2-OE1 4Å; R139-E186 PolarHBondContact NH2-OE1 2.69Å; R139-M187 HydrophobicContact CB-CE 3.67Å; R139-M187 HydrophobicContact CB-SD 4.32Å; R139-M187 HydrophobicContact CG-CE 4.28Å
140Q84.2Confident85.9Confident8 Ų821.9 Ų21.94%0.03711%0.106CC..Hα-helixtrans-57.8-43.9175.7-71.7176.8-20.600113T136 V137 W142 E144T136-Q140 WeakPolarHBondContact O-CG 3.45Å; T136-Q140 PolarHBondContact O-N 3.45Å; V137-Q140 PolarHBondContact O-N 3.25Å; Q140-W142 VanDerWaalsContact C-N 3.32Å; Q140-E144 WeakPolarHBondContact O-CB 3.41Å; Q140-E144 WeakPolarHBondContact O-CG 3.32Å; Q140-E144 PolarHBondContact O-N 3.38Å
141A89.2Confident86.5Confident0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-70.5-28.3177.800000113.1L24 A120 V137 L138 R139 R145 L146 L148L24-A141 HydrophobicContact CD1-CB 3.84Å; A120-A141 HydrophobicContact CB-CB 4.32Å; V137-A141 WeakPolarHBondContact O-CB 3.39Å; V137-A141 PolarHBondContact O-N 2.88Å; L138-A141 PolarHBondContact O-N 3.2Å; R139-A141 PolarHBondContact O-N 2.7Å; A141-R145 PolarHBondContact O-N 3.02Å; A141-L146 HydrophobicContact CB-CD1 4.47Å; A141-L146 WeakPolarHBondContact O-CB 3.48Å; A141-L146 PolarHBondContact O-N 2.95Å; A141-L148 HydrophobicContact CB-CD2 3.69Å
142W87.1Confident87.3Confident5 Ų521.3 Ų21.32%0.01910%0.102CC..Hα-helixtrans-73.2-46175.3177.9-88.6000112.5L138 R139 Q140 E144 R145 L184 M187 F188 D191 L234L138-W142 VanDerWaalsContact O-CB 3.27Å; L138-W142 WeakPolarHBondContact O-CB 3.47Å; L138-W142 PolarHBondContact O-N 3.02Å; R139-W142 WeakPolarHBondContact O-CB 3.02Å; R139-W142 PolarHBondContact O-N 3.42Å; R139-W142 VanDerWaalsContact O-N 3.11Å; Q140-W142 VanDerWaalsContact C-N 3.32Å; W142-E144 VanDerWaalsContact C-N 3.34Å; W142-E144 PolarHBondContact O-N 3.3Å; W142-R145 PolarHBondContact O-N 3.47Å; W142-R145 PolarHBondContact O-NH1 3.46Å; W142-L184 HydrophobicContact CE3-CD2 4.11Å; W142-L184 HydrophobicContact CZ3-CD2 4.41Å; W142-M187 HydrophobicContact CB-SD 4.08Å; W142-M187 HydrophobicContact CD2-CB 4.31Å; W142-M187 HydrophobicContact CG-CB 4.31Å; W142-M187 HydrophobicContact CG-SD 4.21Å; W142-F188 HydrophobicContact CH2-CB 4.23Å; W142-F188 HydrophobicContact CH2-CD2 4.08Å; W142-F188 HydrophobicContact CZ2-CB 4.23Å; W142-F188 HydrophobicContact CZ2-CD2 4.12Å; W142-D191 PolarHBondContact NE1-OD2 2.92Å; W142-L234 HydrophobicContact CH2-CD1 4.01Å; W142-L234 HydrophobicContact CH2-CD2 3.91Å; W142-L234 HydrophobicContact CH2-CG 4.41Å; W142-L234 HydrophobicContact CZ3-CD2 4.06Å
143D82.5Confident88.3Confident41 Ų4121 Ų2122%0.21910%0.1CC..Hα-helixtrans-61.1-44.6177.8-65.3-26000110R139 R145R139-D143 PolarHBondContact O-N 3.48Å; D143-R145 PolarHBondContact O-N 2.78Å; D143-R145 VanDerWaalsContact O-N 3.1Å; D143-R145 PolarHBondContact O-NH1 3.37Å
144E81Confident89Confident25 Ų2522 Ų2212%0.11710%0.104CC..THydrogen-bonded Turntrans-72.14174.7-72.1-73.7171.200115.3V114 R115 Q140 W142 L146 R391V114-E144 HydrophobicContact CG1-CB 3.68Å; V114-E144 HydrophobicContact CG1-CG 3.67Å; R115-E144 WeakPolarHBondContact CD-OE1 3.22Å; R115-E144 WeakPolarHBondContact CD-OE2 3.25Å; R115-E144 IonicContact CZ-OE1 2.82Å; R115-E144 IonicContact CZ-OE2 3.96Å; R115-E144 IonicContact NE-OE1 3.06Å; R115-E144 IonicContact NE-OE2 2.71Å; R115-E144 IonicContact NH1-OE1 3.95Å; R115-E144 PolarHBondContact NH1-OE1 3.28Å; R115-E144 IonicContact NH1-OE2 2.7Å; R115-E144 PolarHBondContact NH1-OE2 2.81Å; Q140-E144 WeakPolarHBondContact O-CB 3.41Å; Q140-E144 WeakPolarHBondContact O-CG 3.32Å; Q140-E144 PolarHBondContact O-N 3.38Å; W142-E144 VanDerWaalsContact C-N 3.34Å; W142-E144 PolarHBondContact O-N 3.3Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 HydrophobicContact CB-CG 4.3Å; E144-L146 PolarHBondContact O-N 3.14Å; E144-R391 PolarHBondContact O-NE 3.16Å
145R84.1Confident89.4Confident33 Ų3322 Ų2213%0.12510%0.104CC..THydrogen-bonded Turntrans55.735.5177.6-53.4-61.5-175.4-111.6-2.6114.5A141 W142 D143 D191 D390 R391A141-R145 PolarHBondContact O-N 3.02Å; W142-R145 PolarHBondContact O-N 3.47Å; W142-R145 PolarHBondContact O-NH1 3.46Å; D143-R145 PolarHBondContact O-N 2.78Å; D143-R145 VanDerWaalsContact O-N 3.1Å; D143-R145 PolarHBondContact O-NH1 3.37Å; R145-D191 IonicContact NH1-OD2 2.79Å; R145-D390 WeakPolarHBondContact CD-OD2 3.24Å; R145-D390 IonicContact CZ-OD2 3.09Å; R145-D390 IonicContact NE-OD2 3.47Å; R145-D390 PolarHBondContact NE-OD2 3.34Å; R145-R391 HydrophobicContact CB-CB 4.17Å; R145-R391 HydrophobicContact CB-CG 4.11Å
146L88.7Confident89.8Confident3 Ų319.3 Ų19.32%0.01610%0.095CC..PPolyproline II helixtrans-74153.8178-61.4-164.3000112.8V114 A120 A141 E144 L148V114-L146 HydrophobicContact CB-CD1 4.43Å; V114-L146 HydrophobicContact CG1-CD1 3.6Å; V114-L146 HydrophobicContact CG1-CG 4.14Å; A120-L146 HydrophobicContact CB-CD1 3.99Å; A141-L146 HydrophobicContact CB-CD1 4.47Å; A141-L146 WeakPolarHBondContact O-CB 3.48Å; A141-L146 PolarHBondContact O-N 2.95Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 HydrophobicContact CB-CG 4.3Å; E144-L146 PolarHBondContact O-N 3.14Å; L146-L148 HydrophobicContact CB-CD2 4.3Å
147T90.2Very high90.2Very high49 Ų4918.9 Ų18.930%0.3019%0.087SC..EExtended strand (participates in β ladder)trans-77.7126.9166.2-57.20000109.6D118 A119 A120 I379 P381D118-T147 PolarHBondContact O-N 2.76Å; A119-T147 CarbonylContact C-O 3.54Å; A119-T147 WeakPolarHBondContact CA-O 3.48Å; A119-T147 VanDerWaalsContact CB-O 3.3Å; A119-T147 WeakPolarHBondContact CB-O 3.43Å; A120-T147 PolarHBondContact N-O 3.31Å; T147-I379 HydrophobicContact CG2-CG2 4.09Å; T147-P381 VanDerWaalsContact OG1-CD 3.3Å; T147-P381 WeakPolarHBondContact OG1-CD 3.36Å; T147-P381 WeakPolarHBondContact OG1-CG 3.07Å
148L92.8Very high90.4Very high23 Ų2318 Ų1812%0.128%0.082CC..EExtended strand (participates in β ladder)trans-102.9141.7-173.7-50.1-178000112.2A120 L138 A141 L146 L184 F236A120-L148 HydrophobicContact CB-CD2 4.08Å; L138-L148 HydrophobicContact CD2-CD1 4.14Å; A141-L148 HydrophobicContact CB-CD2 3.69Å; L146-L148 HydrophobicContact CB-CD2 4.3Å; L148-L184 HydrophobicContact CD1-CD2 4.04Å; L148-F236 HydrophobicContact CB-CE1 3.93Å; L148-F236 HydrophobicContact CB-CZ 3.69Å; L148-F236 HydrophobicContact CD1-CZ 4.29Å
149L94.1Very high90.5Very high2 Ų218.4 Ų18.41%0.018%0.084CC..EExtended strand (participates in β ladder)trans-129.9129.6173.5-175.7154.4000109.1A120 I121 I122 V244 A375 I379A120-L149 PolarHBondContact O-N 3.09Å; I121-L149 CarbonylContact C-O 3.44Å; I121-L149 WeakPolarHBondContact CA-O 3.5Å; I121-L149 HydrophobicContact CG1-CD2 4.25Å; I121-L149 HydrophobicContact CG2-CD2 3.92Å; I122-L149 PolarHBondContact N-O 3.33Å; L149-V244 HydrophobicContact CD2-CG2 3.99Å; L149-A375 HydrophobicContact CD1-CB 3.73Å; L149-I379 HydrophobicContact CD1-CD1 3.81Å
150L95.5Very high90.7Very high0 Ų014.9 Ų14.90%07%0.074CC..EExtended strand (participates in β ladder)trans-95.5123.3-178.8-179.861.9000111I122 V124 L152 I177 V180 F236 N242 V243 V244I122-L150 HydrophobicContact CB-CD1 4.45Å; I122-L150 HydrophobicContact CG2-CD1 4.42Å; V124-L150 HydrophobicContact CB-CD1 4.34Å; V124-L150 HydrophobicContact CG2-CD1 3.66Å; L150-L152 HydrophobicContact CD1-CD2 4.2Å; L150-L152 HydrophobicContact CD2-CD2 4.1Å; L150-L152 HydrophobicContact CD2-CG 4.43Å; L150-L152 HydrophobicContact CG-CD2 4.07Å; L150-L152 HydrophobicContact CG-CG 4.3Å; L150-I177 HydrophobicContact CD2-CG1 4.29Å; L150-V180 HydrophobicContact CD1-CG2 4.28Å; L150-V180 HydrophobicContact CD2-CG2 4.45Å; L150-F236 HydrophobicContact CB-CB 4.44Å; L150-F236 HydrophobicContact CB-CD1 3.52Å; L150-F236 HydrophobicContact CB-CD2 4.26Å; L150-F236 HydrophobicContact CB-CE1 3.7Å; L150-F236 HydrophobicContact CB-CE2 4.39Å; L150-F236 HydrophobicContact CB-CG 3.82Å; L150-F236 HydrophobicContact CB-CZ 4.13Å; L150-F236 HydrophobicContact CD2-CB 3.93Å; L150-F236 HydrophobicContact CD2-CD1 4.47Å; L150-F236 HydrophobicContact CD2-CD2 4.06Å; L150-F236 HydrophobicContact CD2-CG 3.9Å; L150-F236 HydrophobicContact CG-CG 4.48Å; L150-N242 PolarHBondContact N-O 3.36Å; L150-V243 HydrophobicContact CB-CG2 4.37Å; L150-V243 HydrophobicContact CD2-CG1 4.33Å; L150-V243 HydrophobicContact CD2-CG2 4.28Å; L150-V243 HydrophobicContact CG-CG1 4.44Å; L150-V243 CarbonylContact O-C 3.53Å; L150-V243 WeakPolarHBondContact O-CA 3.35Å; L150-V244 PolarHBondContact O-N 2.91Å
151A95.9Very high90.9Very high0 Ų019.9 Ų19.90%010%0.098CC..EExtended strand (participates in β ladder)trans-111105.8173.200000110.2M34 I121 I122 V123 V124 N153M34-A151 HydrophobicContact SD-CB 4.13Å; I121-A151 HydrophobicContact CG2-CB 3.78Å; I122-A151 PolarHBondContact O-N 3.29Å; V123-A151 WeakPolarHBondContact CA-O 3.12Å; V123-A151 HydrophobicContact CG2-CB 4.39Å; V124-A151 PolarHBondContact N-O 2.91Å; A151-N153 PolarHBondContact O-N 3.41Å
152L96.1Very high90.8Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-83.4103.1175.7-66.5-175.1000109.7V124 V126 L150 V176 I177 V243 V244 F245 C246V124-L152 HydrophobicContact CB-CD2 4.17Å; V126-L152 HydrophobicContact CG2-CB 3.72Å; V126-L152 HydrophobicContact CG2-CD2 4.4Å; V126-L152 HydrophobicContact CG2-CG 4.47Å; L150-L152 HydrophobicContact CD1-CD2 4.2Å; L150-L152 HydrophobicContact CD2-CD2 4.1Å; L150-L152 HydrophobicContact CD2-CG 4.43Å; L150-L152 HydrophobicContact CG-CD2 4.07Å; L150-L152 HydrophobicContact CG-CG 4.3Å; L152-V176 HydrophobicContact CD2-CG1 3.77Å; L152-I177 HydrophobicContact CD1-CD1 3.95Å; L152-I177 HydrophobicContact CD1-CG1 3.81Å; L152-V243 HydrophobicContact CD1-CG1 3.95Å; L152-V243 HydrophobicContact CG-CG1 4.1Å; L152-V244 PolarHBondContact N-O 2.87Å; L152-F245 HydrophobicContact CB-CD1 4.39Å; L152-F245 HydrophobicContact CD1-CD1 3.96Å; L152-F245 HydrophobicContact CD1-CE1 3.64Å; L152-F245 HydrophobicContact CD1-CZ 4.46Å; L152-C246 PolarHBondContact O-N 3.4Å; L152-C246 PolarHBondContact O-SG 3.46Å; L152-C246 VanDerWaalsContact O-SG 3.37Å
153N95.7Very high91Very high1 Ų130.3 Ų30.31%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-102.9168.5-171.5-162.117000112.7H29 V123 V124 V126 A151 I155 C246 S248H29-N153 PolarHBondContact O-ND2 3.2Å; V123-N153 HydrophobicContact CG1-CB 3.66Å; V124-N153 PolarHBondContact O-N 2.91Å; V126-N153 WeakPolarHBondContact CG2-O 3.45Å; V126-N153 PolarHBondContact N-O 3.15Å; V126-N153 VanDerWaalsContact N-O 3.11Å; A151-N153 PolarHBondContact O-N 3.41Å; N153-I155 VanDerWaalsContact C-N 3.29Å; N153-I155 PolarHBondContact O-N 3.04Å; N153-C246 CarbonylContact C-O 3.47Å; N153-C246 WeakPolarHBondContact CA-O 3.41Å; N153-S248 VanDerWaalsContact CG-OG 3.28Å; N153-S248 PolarHBondContact ND2-OG 2.75Å; N153-S248 WeakPolarHBondContact OD1-CB 3.4Å; N153-S248 PolarHBondContact OD1-N 2.98Å; N153-S248 PolarHBondContact OD1-OG 3.17Å
154K93.6Very high91.5Very high27 Ų2730 Ų3012%0.11714%0.144CC..  trans5930.9178.3-45.2-162.2-146.6152.60114.9D28 D125 E128 D156 R157 C246D28-K154 WeakPolarHBondContact O-CE 3.45Å; D28-K154 PolarHBondContact O-NZ 3.39Å; D125-K154 HydrophobicContact CB-CD 4.45Å; D125-K154 WeakPolarHBondContact OD2-CD 3.39Å; D125-K154 WeakPolarHBondContact OD2-CE 3.39Å; D125-K154 IonicContact OD2-NZ 2.66Å; D125-K154 PolarHBondContact OD2-NZ 2.99Å; E128-K154 IonicContact OE1-NZ 2.91Å; K154-D156 WeakPolarHBondContact CA-OD1 3.45Å; K154-D156 PolarHBondContact O-N 2.94Å; K154-D156 VanDerWaalsContact O-N 3.08Å; K154-R157 HydrophobicContact CB-CG 3.96Å; K154-R157 WeakPolarHBondContact O-CB 3.42Å; K154-R157 PolarHBondContact O-N 2.86Å; K154-C246 PolarHBondContact N-O 2.99Å
155I94.9Very high92Very high2 Ų232.2 Ų32.21%0.0116%0.159CC..Hα-helixtrans-56.4-26.7174.9-63.4172.3000111.7V126 N153 R157 L158 M173 F245 C246 W252 W318V126-I155 HydrophobicContact CG2-CG1 3.96Å; N153-I155 VanDerWaalsContact C-N 3.29Å; N153-I155 PolarHBondContact O-N 3.04Å; I155-R157 PolarHBondContact O-N 2.82Å; I155-L158 WeakPolarHBondContact O-CB 3.32Å; I155-L158 PolarHBondContact O-N 2.81Å; I155-L158 VanDerWaalsContact O-N 3.08Å; I155-M173 HydrophobicContact CD1-SD 4.01Å; I155-M173 HydrophobicContact CG1-SD 4.41Å; I155-F245 HydrophobicContact CD1-CB 3.65Å; I155-F245 HydrophobicContact CD1-CD1 4.07Å; I155-F245 HydrophobicContact CD1-CG 4.37Å; I155-C246 PolarHBondContact N-O 2.88Å; I155-W252 HydrophobicContact CB-CH2 4.04Å; I155-W252 HydrophobicContact CB-CZ2 4.31Å; I155-W252 HydrophobicContact CD1-CH2 4.21Å; I155-W252 HydrophobicContact CG2-CH2 4Å; I155-W252 HydrophobicContact CG2-CZ2 4.35Å; I155-W318 HydrophobicContact CG2-CH2 4.18Å; I155-W318 HydrophobicContact CG2-CZ3 4.48Å
156D92.7Very high92.5Very high9 Ų931.8 Ų31.85%0.04816%0.161CC..Hα-helixtrans-57.7-30.1173.460.7-64.4000113.4K154 L158 V159 V160 S247 Y321 R355K154-D156 WeakPolarHBondContact CA-OD1 3.45Å; K154-D156 PolarHBondContact O-N 2.94Å; K154-D156 VanDerWaalsContact O-N 3.08Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 PolarHBondContact O-N 2.92Å; D156-V159 PolarHBondContact O-N 2.88Å; D156-V159 VanDerWaalsContact O-N 3.08Å; D156-V160 WeakPolarHBondContact O-CB 3.45Å; D156-V160 WeakPolarHBondContact O-CG2 3.38Å; D156-V160 PolarHBondContact O-N 3.4Å; D156-S247 VanDerWaalsContact OD1-CB 3.28Å; D156-S247 WeakPolarHBondContact OD1-CB 3.37Å; D156-S247 PolarHBondContact OD1-OG 2.8Å; D156-Y321 HydrophobicContact CB-CE1 4.11Å; D156-Y321 WeakPolarHBondContact CB-OH 3.07Å; D156-R355 IonicContact OD2-NH2 3.19Å; D156-R355 PolarHBondContact OD2-NH2 3.48Å; D156-R355 VanDerWaalsContact OD2-NH2 3.14Å
157R91.7Very high92.6Very high44 Ų4433.7 Ų33.717%0.16617%0.174CC..Hα-helixtrans-64.2-34.3175.4-61.4-179.768.8-173.55.3112.4D125 V127 E128 K154 I155 V159 E161 I162D125-R157 IonicContact OD1-NH1 3.76Å; D125-R157 IonicContact OD2-CZ 3.6Å; D125-R157 IonicContact OD2-NH1 2.76Å; D125-R157 PolarHBondContact OD2-NH1 3.3Å; V127-R157 HydrophobicContact CG2-CB 3.56Å; V127-R157 HydrophobicContact CG2-CG 4.45Å; E128-R157 IonicContact OE1-CZ 3.52Å; E128-R157 IonicContact OE1-NH1 2.71Å; E128-R157 PolarHBondContact OE1-NH1 3.48Å; K154-R157 HydrophobicContact CB-CG 3.96Å; K154-R157 WeakPolarHBondContact O-CB 3.42Å; K154-R157 PolarHBondContact O-N 2.86Å; I155-R157 PolarHBondContact O-N 2.82Å; R157-V159 PolarHBondContact O-N 2.89Å; R157-E161 HydrophobicContact CB-CG 4.4Å; R157-E161 IonicContact CZ-OE2 3.94Å; R157-E161 IonicContact NE-OE1 2.79Å; R157-E161 PolarHBondContact NE-OE1 3.45Å; R157-E161 IonicContact NE-OE2 3.82Å; R157-E161 PolarHBondContact NE-OE2 3.17Å; R157-E161 IonicContact NH2-OE2 3.78Å; R157-E161 PolarHBondContact NH2-OE2 3.19Å; R157-E161 WeakPolarHBondContact O-CA 3.34Å; R157-E161 WeakPolarHBondContact O-CB 3.18Å; R157-E161 PolarHBondContact O-N 3.43Å; R157-I162 PolarHBondContact O-N 2.94Å
158L92.4Very high92.7Very high1 Ų135.7 Ų35.71%0.00518%0.18CC..Hα-helixtrans-61.8-32.4174.2-55.9-174.5000111.7V126 V127 I155 D156 I162 K163 L164 A169 T172 W318V126-L158 HydrophobicContact CG1-CD1 3.8Å; V126-L158 HydrophobicContact CG1-CD2 4.34Å; V126-L158 HydrophobicContact CG1-CG 4.38Å; V127-L158 HydrophobicContact CG2-CD2 3.91Å; I155-L158 WeakPolarHBondContact O-CB 3.32Å; I155-L158 PolarHBondContact O-N 2.81Å; I155-L158 VanDerWaalsContact O-N 3.08Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 PolarHBondContact O-N 2.92Å; L158-I162 HydrophobicContact CD2-CD1 4.13Å; L158-K163 WeakPolarHBondContact O-CA 3.18Å; L158-K163 PolarHBondContact O-N 2.92Å; L158-L164 HydrophobicContact CD2-CD1 4.12Å; L158-L164 PolarHBondContact O-N 3.29Å; L158-A169 HydrophobicContact CD1-CB 3.86Å; L158-T172 HydrophobicContact CD2-CG2 4.34Å; L158-W318 HydrophobicContact CB-CZ2 4.47Å
159V92.4Very high92.7Very high8 Ų834.6 Ų34.65%0.04818%0.175CC..Hα-helixtrans-86.8-44.4-178.2-162.80000111.9D156 R157 W318 Y321D156-V159 PolarHBondContact O-N 2.88Å; D156-V159 VanDerWaalsContact O-N 3.08Å; R157-V159 PolarHBondContact O-N 2.89Å; V159-W318 HydrophobicContact CG1-CD2 4.49Å; V159-W318 HydrophobicContact CG1-CG 4.41Å; V159-W318 HydrophobicContact CG2-CD2 4.03Å; V159-W318 HydrophobicContact CG2-CE3 4.17Å; V159-W318 HydrophobicContact CG2-CH2 3.81Å; V159-W318 HydrophobicContact CG2-CZ2 3.63Å; V159-W318 HydrophobicContact CG2-CZ3 4.07Å; V159-Y321 HydrophobicContact CB-CD1 4.45Å; V159-Y321 HydrophobicContact CB-CG 4.33Å; V159-Y321 HydrophobicContact CG1-CD1 4.23Å; V159-Y321 HydrophobicContact CG1-CD2 4.27Å; V159-Y321 HydrophobicContact CG1-CG 3.79Å; V159-Y321 HydrophobicContact CG2-CD2 4.39Å
160V90.2Very high92.6Very high31 Ų3134.9 Ų34.919%0.18818%0.176CC..Hα-helixtrans-92-48.7-169.1177.50000112.3D156 K163 Y321 F325D156-V160 WeakPolarHBondContact O-CB 3.45Å; D156-V160 WeakPolarHBondContact O-CG2 3.38Å; D156-V160 PolarHBondContact O-N 3.4Å; V160-K163 WeakPolarHBondContact O-CE 3.41Å; V160-Y321 HydrophobicContact CG2-CD1 4.02Å; V160-Y321 HydrophobicContact CG2-CE1 4.13Å; V160-F325 HydrophobicContact CG1-CE1 3.77Å; V160-F325 HydrophobicContact CG1-CZ 3.97Å; V160-F325 HydrophobicContact CG2-CD1 4.4Å; V160-F325 HydrophobicContact CG2-CE1 4.26Å
161E88.3Confident92.4Very high114 Ų11438.5 Ų38.553%0.53319%0.193SC..THydrogen-bonded Turntrans-84.6-58.9-176.9-63.1176.2-164.900111R157R157-E161 HydrophobicContact CB-CG 4.4Å; R157-E161 IonicContact CZ-OE2 3.94Å; R157-E161 IonicContact NE-OE1 2.79Å; R157-E161 PolarHBondContact NE-OE1 3.45Å; R157-E161 IonicContact NE-OE2 3.82Å; R157-E161 PolarHBondContact NE-OE2 3.17Å; R157-E161 IonicContact NH2-OE2 3.78Å; R157-E161 PolarHBondContact NH2-OE2 3.19Å; R157-E161 WeakPolarHBondContact O-CA 3.34Å; R157-E161 WeakPolarHBondContact O-CB 3.18Å; R157-E161 PolarHBondContact O-N 3.43Å
162I88Confident92.1Very high82 Ų8240.2 Ų40.242%0.42120%0.203SC..SBendtrans-83.4-26.1-172.9-47.2-175.2000111.8V127 R157 L158 L164V127-I162 HydrophobicContact CB-CD1 4.41Å; V127-I162 HydrophobicContact CG1-CD1 3.88Å; V127-I162 HydrophobicContact CG2-CD1 3.79Å; R157-I162 PolarHBondContact O-N 2.94Å; L158-I162 HydrophobicContact CD2-CD1 4.13Å; I162-L164 VanDerWaalsContact C-N 3.33Å; I162-L164 HydrophobicContact CB-CG 4.19Å; I162-L164 HydrophobicContact CG2-CD1 4.31Å; I162-L164 HydrophobicContact CG2-CD2 3.69Å; I162-L164 HydrophobicContact CG2-CG 3.68Å; I162-L164 PolarHBondContact O-N 2.84Å
163K90.7Very high92Very high141 Ų14140.2 Ų40.261%0.61320%0.203SC*.  trans56.541.2179.1-57.3176.1-177.3174.20113.5L158 V160L158-K163 WeakPolarHBondContact O-CA 3.18Å; L158-K163 PolarHBondContact O-N 2.92Å; V160-K163 WeakPolarHBondContact O-CE 3.41Å
164L91.7Very high91.8Very high36 Ų3640.8 Ų40.819%0.18821%0.207CC..  trans-66.1150.1175.5-64.6-177.1000111.7L158 I162 Q168 A169 W318L158-L164 HydrophobicContact CD2-CD1 4.12Å; L158-L164 PolarHBondContact O-N 3.29Å; I162-L164 VanDerWaalsContact C-N 3.33Å; I162-L164 HydrophobicContact CB-CG 4.19Å; I162-L164 HydrophobicContact CG2-CD1 4.31Å; I162-L164 HydrophobicContact CG2-CD2 3.69Å; I162-L164 HydrophobicContact CG2-CG 3.68Å; I162-L164 PolarHBondContact O-N 2.84Å; L164-Q168 HydrophobicContact CB-CB 4.18Å; L164-Q168 HydrophobicContact CD2-CB 4.34Å; L164-A169 HydrophobicContact CB-CB 4.38Å; L164-W318 PolarHBondContact O-NE1 2.98Å
165T92.9Very high91.6Very high70 Ų7044.8 Ų44.843%0.42922%0.221SC..  trans-69.1154.7166.863.40000110.9S167 Q168 A169T165-S167 PolarHBondContact O-N 2.7Å; T165-S167 VanDerWaalsContact O-N 3.15Å; T165-Q168 PolarHBondContact O-N 2.82Å; T165-Q168 VanDerWaalsContact OG1-CD 3.22Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.43Å; T165-Q168 PolarHBondContact OG1-N 3.2Å; T165-Q168 PolarHBondContact OG1-OE1 3.13Å; T165-A169 PolarHBondContact O-N 3Å
166P93.5Very high91.4Very high24 Ų2445 Ų4516%0.15622%0.222CC..Hα-helixtrans-51.6-38177.7-30.636.2000114.3Y170 V310 L314 E315 W318P166-Y170 PolarHBondContact O-N 3.2Å; P166-V310 HydrophobicContact CB-CG1 3.83Å; P166-L314 HydrophobicContact CB-CB 4.03Å; P166-L314 WeakPolarHBondContact O-CD1 3.41Å; P166-E315 HydrophobicContact CB-CG 4.38Å; P166-E315 HydrophobicContact CG-CG 4.27Å; P166-W318 HydrophobicContact CG-CB 4.01Å; P166-W318 HydrophobicContact CG-CD2 4.12Å; P166-W318 HydrophobicContact CG-CG 3.68Å
167S91.4Very high91.4Very high43 Ų4345 Ų4530%0.30122%0.223SC..Hα-helixtrans-67.5-44176.9-53.90000112.6T165 Y170 E171T165-S167 PolarHBondContact O-N 2.7Å; T165-S167 VanDerWaalsContact O-N 3.15Å; S167-Y170 WeakPolarHBondContact O-CB 3.34Å; S167-Y170 PolarHBondContact O-N 2.95Å; S167-E171 PolarHBondContact O-N 3.32Å; S167-E171 VanDerWaalsContact O-N 3.1Å
168Q91.9Very high91.4Very high91 Ų9148.6 Ų48.643%0.42524%0.241SC..Hα-helixtrans-66.3-39.7177.1-72.6163.1-37.800111.4L164 T165 Y170 E171 T172L164-Q168 HydrophobicContact CB-CB 4.18Å; L164-Q168 HydrophobicContact CD2-CB 4.34Å; T165-Q168 PolarHBondContact O-N 2.82Å; T165-Q168 VanDerWaalsContact OG1-CD 3.22Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.43Å; T165-Q168 PolarHBondContact OG1-N 3.2Å; T165-Q168 PolarHBondContact OG1-OE1 3.13Å; Q168-Y170 VanDerWaalsContact C-N 3.32Å; Q168-Y170 PolarHBondContact O-N 3.35Å; Q168-E171 WeakPolarHBondContact O-CB 3.35Å; Q168-E171 PolarHBondContact O-N 3.32Å; Q168-T172 PolarHBondContact O-N 3.15Å; Q168-T172 PolarHBondContact O-OG1 3.17Å
169A92.8Very high91.2Very high0 Ų050.6 Ų50.60%025%0.25CS..Hα-helixtrans-63-37.9175.500000112.3L158 L164 T165 T172 M173 W318L158-A169 HydrophobicContact CD1-CB 3.86Å; L164-A169 HydrophobicContact CB-CB 4.38Å; T165-A169 PolarHBondContact O-N 3Å; A169-T172 PolarHBondContact O-N 2.85Å; A169-M173 WeakPolarHBondContact O-CE 3.43Å; A169-M173 WeakPolarHBondContact O-CG 3.39Å; A169-M173 PolarHBondContact O-N 3.15Å; A169-W318 HydrophobicContact CB-CH2 3.66Å; A169-W318 HydrophobicContact CB-CZ2 3.34Å
170Y93.3Very high91.1Very high9 Ų950.2 Ų50.24%0.03525%0.248CC..Hα-helixtrans-60.8-46.4171.3176.9-119.1000112.1P166 S167 Q168 T172 M173 C174 W279 G280 S307 F309 V310P166-Y170 PolarHBondContact O-N 3.2Å; S167-Y170 WeakPolarHBondContact O-CB 3.34Å; S167-Y170 PolarHBondContact O-N 2.95Å; Q168-Y170 VanDerWaalsContact C-N 3.32Å; Q168-Y170 PolarHBondContact O-N 3.35Å; Y170-T172 VanDerWaalsContact C-N 3.35Å; Y170-T172 PolarHBondContact O-N 2.92Å; Y170-M173 PolarHBondContact O-N 2.82Å; Y170-C174 PolarHBondContact O-N 2.74Å; Y170-C174 PolarHBondContact O-SG 2.99Å; Y170-C174 VanDerWaalsContact O-SG 3.36Å; Y170-W279 HydrophobicContact CD2-CH2 4.08Å; Y170-W279 HydrophobicContact CD2-CZ3 4.1Å; Y170-W279 HydrophobicContact CE2-CD2 4.25Å; Y170-W279 AromaticContact CE2-CE3 3.95Å; Y170-W279 HydrophobicContact CE2-CE3 3.95Å; Y170-W279 AromaticContact CE2-CH2 3.71Å; Y170-W279 HydrophobicContact CE2-CH2 3.71Å; Y170-W279 HydrophobicContact CE2-CZ2 4.02Å; Y170-W279 AromaticContact CE2-CZ3 3.68Å; Y170-W279 HydrophobicContact CE2-CZ3 3.68Å; Y170-G280 VanDerWaalsContact OH-CA 3.3Å; Y170-G280 WeakPolarHBondContact OH-CA 3.36Å; Y170-G280 PolarHBondContact OH-N 2.94Å; Y170-G280 PolarHBondContact OH-O 3.35Å; Y170-S307 WeakPolarHBondContact CE1-OG 3.32Å; Y170-F309 HydrophobicContact CD2-CB 4.41Å; Y170-F309 AromaticContact CD2-CD1 3.48Å; Y170-F309 HydrophobicContact CD2-CD1 3.48Å; Y170-F309 VanDerWaalsContact CD2-CD1 3.48Å; Y170-F309 HydrophobicContact CD2-CE1 4.12Å; Y170-F309 HydrophobicContact CD2-CG 4.28Å; Y170-F309 HydrophobicContact CE2-CB 4.14Å; Y170-F309 AromaticContact CE2-CD1 3.86Å; Y170-F309 HydrophobicContact CE2-CD1 3.86Å; Y170-F309 HydrophobicContact CE2-CG 4.23Å; Y170-F309 HydrophobicContact CG-CD1 4.39Å; Y170-V310 HydrophobicContact CD1-CG2 4.07Å; Y170-V310 HydrophobicContact CG-CG2 3.89Å
171E90.2Very high91.2Very high76 Ų7650.1 Ų50.136%0.35525%0.247SC..Hα-helixtrans-60.1-41.9174.8-69.4175.7-155.200112.6S167 Q168 C174 R175S167-E171 PolarHBondContact O-N 3.32Å; S167-E171 VanDerWaalsContact O-N 3.1Å; Q168-E171 WeakPolarHBondContact O-CB 3.35Å; Q168-E171 PolarHBondContact O-N 3.32Å; E171-C174 PolarHBondContact O-N 2.73Å; E171-R175 WeakPolarHBondContact O-CG 3.26Å; E171-R175 PolarHBondContact O-N 2.77Å; E171-R175 VanDerWaalsContact O-N 3.12Å; E171-R175 IonicContact OE2-NH2 3.92Å; E171-R175 PolarHBondContact OE2-NH2 2.95Å
172T90.1Very high91.3Very high35 Ų3548.3 Ų48.322%0.21525%0.246CC..Hα-helixtrans-60.6-46174.9-59.60000111.5V126 L158 Q168 A169 Y170 C174 R175 V176V126-T172 HydrophobicContact CG1-CG2 4.08Å; L158-T172 HydrophobicContact CD2-CG2 4.34Å; Q168-T172 PolarHBondContact O-N 3.15Å; Q168-T172 PolarHBondContact O-OG1 3.17Å; A169-T172 PolarHBondContact O-N 2.85Å; Y170-T172 VanDerWaalsContact C-N 3.35Å; Y170-T172 PolarHBondContact O-N 2.92Å; T172-C174 VanDerWaalsContact C-N 3.35Å; T172-C174 PolarHBondContact O-N 3.02Å; T172-R175 PolarHBondContact O-N 2.99Å; T172-V176 WeakPolarHBondContact O-CG2 3.35Å; T172-V176 PolarHBondContact O-N 2.86Å; T172-V176 VanDerWaalsContact O-N 3.11Å
173M93.3Very high91.2Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-63-38.2178.2-74.9-178.1-6800112.7V126 I155 A169 Y170 V176 I177 F245 F309 L314V126-M173 HydrophobicContact CG1-CG 3.72Å; I155-M173 HydrophobicContact CD1-SD 4.01Å; I155-M173 HydrophobicContact CG1-SD 4.41Å; A169-M173 WeakPolarHBondContact O-CE 3.43Å; A169-M173 WeakPolarHBondContact O-CG 3.39Å; A169-M173 PolarHBondContact O-N 3.15Å; Y170-M173 PolarHBondContact O-N 2.82Å; M173-V176 PolarHBondContact O-N 3.05Å; M173-I177 WeakPolarHBondContact O-CG1 3.47Å; M173-I177 PolarHBondContact O-N 2.94Å; M173-F245 HydrophobicContact CB-CE1 4.38Å; M173-F245 HydrophobicContact SD-CD1 3.64Å; M173-F245 HydrophobicContact SD-CE1 3.85Å; M173-F309 HydrophobicContact CE-CE1 3.97Å; M173-L314 HydrophobicContact CE-CD1 3.7Å; M173-L314 HydrophobicContact CE-CD2 3.95Å; M173-L314 HydrophobicContact CE-CG 4.47Å
174C92.1Very high91.1Very high13 Ų1337.9 Ų37.99%0.08820%0.198CC..Hα-helixtrans-61.2-47.2173.5-66.30000111.8Y170 E171 T172 V176 I177 E178 W279Y170-C174 PolarHBondContact O-N 2.74Å; Y170-C174 PolarHBondContact O-SG 2.99Å; Y170-C174 VanDerWaalsContact O-SG 3.36Å; E171-C174 PolarHBondContact O-N 2.73Å; T172-C174 VanDerWaalsContact C-N 3.35Å; T172-C174 PolarHBondContact O-N 3.02Å; C174-V176 VanDerWaalsContact C-N 3.31Å; C174-V176 PolarHBondContact O-N 3.39Å; C174-I177 PolarHBondContact O-N 3.43Å; C174-I177 VanDerWaalsContact O-N 3.12Å; C174-E178 WeakPolarHBondContact O-CG 3.48Å; C174-E178 PolarHBondContact O-N 2.72Å; C174-W279 VanDerWaalsContact SG-CZ2 3.58Å
175R89.8Confident90.9Very high111 Ų11137.5 Ų37.542%0.41920%0.2SC..Hα-helixtrans-59.2-40.1179.1-67.1173.8-149.7177.47.1112.5E171 T172 E178 Q179E171-R175 WeakPolarHBondContact O-CG 3.26Å; E171-R175 PolarHBondContact O-N 2.77Å; E171-R175 VanDerWaalsContact O-N 3.12Å; E171-R175 IonicContact OE2-NH2 3.92Å; E171-R175 PolarHBondContact OE2-NH2 2.95Å; T172-R175 PolarHBondContact O-N 2.99Å; R175-E178 PolarHBondContact O-N 2.9Å; R175-Q179 VanDerWaalsContact O-CG 3.27Å; R175-Q179 WeakPolarHBondContact O-CG 3.35Å; R175-Q179 PolarHBondContact O-N 3.36Å
176V91Very high90.5Very high6 Ų638.5 Ų38.54%0.03620%0.2CC..Hα-helixtrans-66-38.3177.4176.60000111.5V124 V126 L152 T172 M173 C174 Q179 V180V124-V176 HydrophobicContact CG1-CG1 3.74Å; V126-V176 HydrophobicContact CG1-CG2 4.43Å; L152-V176 HydrophobicContact CD2-CG1 3.77Å; T172-V176 WeakPolarHBondContact O-CG2 3.35Å; T172-V176 PolarHBondContact O-N 2.86Å; T172-V176 VanDerWaalsContact O-N 3.11Å; M173-V176 PolarHBondContact O-N 3.05Å; C174-V176 VanDerWaalsContact C-N 3.31Å; C174-V176 PolarHBondContact O-N 3.39Å; V176-Q179 PolarHBondContact O-N 2.95Å; V176-V180 WeakPolarHBondContact O-CG2 3.27Å; V176-V180 PolarHBondContact O-N 2.87Å; V176-V180 VanDerWaalsContact O-N 3.16Å
177I92.7Very high89.9Confident10 Ų1037.8 Ų37.85%0.05120%0.195CC..Hα-helixtrans-66.9-42.3174.8-64.2166.4000110.8L150 L152 M173 C174 Q179 V180 N181 F236 P238 V243 F245 W279L150-I177 HydrophobicContact CD2-CG1 4.29Å; L152-I177 HydrophobicContact CD1-CD1 3.95Å; L152-I177 HydrophobicContact CD1-CG1 3.81Å; M173-I177 WeakPolarHBondContact O-CG1 3.47Å; M173-I177 PolarHBondContact O-N 2.94Å; C174-I177 PolarHBondContact O-N 3.43Å; C174-I177 VanDerWaalsContact O-N 3.12Å; I177-Q179 PolarHBondContact O-N 2.8Å; I177-V180 PolarHBondContact O-N 3.38Å; I177-N181 WeakPolarHBondContact O-CB 3.41Å; I177-N181 PolarHBondContact O-N 2.88Å; I177-F236 HydrophobicContact CG2-CB 4.42Å; I177-P238 HydrophobicContact CD1-CG 3.81Å; I177-V243 HydrophobicContact CD1-CG1 4.28Å; I177-F245 HydrophobicContact CD1-CZ 4.35Å; I177-W279 HydrophobicContact CD1-CH2 4.08Å; I177-W279 HydrophobicContact CD1-CZ2 3.74Å
178E90.7Very high89.5Confident119 Ų11937.2 Ų37.256%0.55619%0.187SC*.Hα-helixtrans-59.8-42.9175.6-71160.7-16900111.7C174 R175 N181 S182C174-E178 WeakPolarHBondContact O-CG 3.48Å; C174-E178 PolarHBondContact O-N 2.72Å; R175-E178 PolarHBondContact O-N 2.9Å; E178-N181 PolarHBondContact O-N 3.07Å; E178-S182 WeakPolarHBondContact O-CB 3.49Å; E178-S182 PolarHBondContact O-N 2.72Å
179Q88.3Confident88.9Confident43 Ų4336 Ų3620%0.20119%0.189CC..Hα-helixtrans-60.4-45174.5-73.4164.8-5.300112.8V130 R175 V176 I177 S182 V183 E1331V130-Q179 HydrophobicContact CB-CB 4.29Å; V130-Q179 HydrophobicContact CG2-CB 3.57Å; R175-Q179 VanDerWaalsContact O-CG 3.27Å; R175-Q179 WeakPolarHBondContact O-CG 3.35Å; R175-Q179 PolarHBondContact O-N 3.36Å; V176-Q179 PolarHBondContact O-N 2.95Å; I177-Q179 PolarHBondContact O-N 2.8Å; Q179-S182 PolarHBondContact O-N 2.84Å; Q179-V183 PolarHBondContact O-N 3.17Å; Q179-E1331 PolarHBondContact NE2-OE1 3.47Å
180V91.1Very high88.1Confident0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-66.6-42.9178.5-179.40000110.5V124 V130 L138 L150 V176 I177 S182 V183 L184 F236V124-V180 HydrophobicContact CG2-CG2 4.32Å; V130-V180 HydrophobicContact CG2-CB 4.37Å; V130-V180 HydrophobicContact CG2-CG2 3.42Å; V130-V180 VanDerWaalsContact CG2-CG2 3.42Å; L138-V180 HydrophobicContact CD1-CG1 4.16Å; L150-V180 HydrophobicContact CD1-CG2 4.28Å; L150-V180 HydrophobicContact CD2-CG2 4.45Å; V176-V180 WeakPolarHBondContact O-CG2 3.27Å; V176-V180 PolarHBondContact O-N 2.87Å; V176-V180 VanDerWaalsContact O-N 3.16Å; I177-V180 PolarHBondContact O-N 3.38Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.85Å; V180-V183 PolarHBondContact O-N 3.34Å; V180-L184 PolarHBondContact O-N 3.24Å; V180-L184 VanDerWaalsContact O-N 3.09Å; V180-F236 HydrophobicContact CB-CD2 4.33Å; V180-F236 HydrophobicContact CG1-CD2 3.45Å; V180-F236 VanDerWaalsContact CG1-CD2 3.45Å; V180-F236 HydrophobicContact CG1-CE2 3.39Å
181N92.2Very high87Confident29 Ų2938.5 Ų38.516%0.15521%0.209CC..Hα-helixtrans-65.6-33.2177.6-75.6-18.4000112.6I177 E178 V183 L184 A185 Y235 F236I177-N181 WeakPolarHBondContact O-CB 3.41Å; I177-N181 PolarHBondContact O-N 2.88Å; E178-N181 PolarHBondContact O-N 3.07Å; N181-V183 VanDerWaalsContact C-N 3.34Å; N181-L184 PolarHBondContact O-N 3.41Å; N181-A185 WeakPolarHBondContact O-CB 3.3Å; N181-A185 PolarHBondContact O-N 3.38Å; N181-Y235 HydrophobicContact CB-CD1 4.05Å; N181-F236 PolarHBondContact ND2-O 3.18Å; N181-F236 WeakPolarHBondContact OD1-CB 3.39Å; N181-F236 PolarHBondContact OD1-N 2.7Å
182S89.4Confident86Confident76 Ų7636.2 Ų36.253%0.53120%0.2SC..Hα-helixtrans-62-40.2172.4172.70000112.2E178 Q179 V180 A185 E186E178-S182 WeakPolarHBondContact O-CB 3.49Å; E178-S182 PolarHBondContact O-N 2.72Å; Q179-S182 PolarHBondContact O-N 2.84Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.85Å; S182-A185 PolarHBondContact O-N 3.48Å; S182-E186 PolarHBondContact O-N 2.98Å
183V86.6Confident84.9Confident2 Ų237.8 Ų37.81%0.01221%0.21CC..Hα-helixtrans-67.7-36.6175.5171.70000111.7V130 R135 L138 Q179 V180 N181 M187V130-V183 HydrophobicContact CG1-CG2 4.21Å; R135-V183 HydrophobicContact CB-CG1 4.37Å; R135-V183 HydrophobicContact CG-CG1 4.1Å; R135-V183 HydrophobicContact CG-CG2 3.99Å; L138-V183 HydrophobicContact CD1-CG1 4.06Å; Q179-V183 PolarHBondContact O-N 3.17Å; V180-V183 PolarHBondContact O-N 3.34Å; N181-V183 VanDerWaalsContact C-N 3.34Å; V183-M187 HydrophobicContact CG1-CE 3.56Å; V183-M187 WeakPolarHBondContact O-CG 3.41Å; V183-M187 PolarHBondContact O-N 3.03Å
184L87.9Confident83.4Confident2 Ų245.4 Ų45.41%0.0124%0.238CC..Hα-helixtrans-67.7-39.7172.3-70.3179.6000112.4L138 W142 L148 V180 N181 E186 M187 F188 F236L138-L184 HydrophobicContact CD2-CD2 4.43Å; W142-L184 HydrophobicContact CE3-CD2 4.11Å; W142-L184 HydrophobicContact CZ3-CD2 4.41Å; L148-L184 HydrophobicContact CD1-CD2 4.04Å; V180-L184 PolarHBondContact O-N 3.24Å; V180-L184 VanDerWaalsContact O-N 3.09Å; N181-L184 PolarHBondContact O-N 3.41Å; L184-E186 VanDerWaalsContact C-N 3.32Å; L184-E186 PolarHBondContact O-N 3.18Å; L184-M187 PolarHBondContact O-N 2.76Å; L184-F188 WeakPolarHBondContact O-CB 3.46Å; L184-F188 PolarHBondContact O-N 2.93Å; L184-F236 HydrophobicContact CD1-CD2 3.69Å; L184-F236 HydrophobicContact CD1-CE2 3.48Å; L184-F236 VanDerWaalsContact CD1-CE2 3.48Å; L184-F236 HydrophobicContact CD1-CZ 4.27Å; L184-F236 HydrophobicContact CG-CE2 4.35Å
185A86.5Confident81.9Confident28 Ų2847.7 Ų47.723%0.23125%0.248CC..Hα-helixtrans-63.2-36.817700000112.1N181 S182 S189 Y235N181-A185 WeakPolarHBondContact O-CB 3.3Å; N181-A185 PolarHBondContact O-N 3.38Å; S182-A185 PolarHBondContact O-N 3.48Å; A185-S189 WeakPolarHBondContact O-CB 3.31Å; A185-S189 PolarHBondContact O-N 3.19Å; A185-S189 PolarHBondContact O-OG 2.79Å; A185-Y235 HydrophobicContact CB-CE1 4.18Å
186E85.2Confident80.2Confident91 Ų9146.2 Ų46.243%0.42524%0.242SC..Hα-helixtrans-58.4-50.5171.5-174.8-161.7128.300111.2R139 S182 L184 S189 A190R139-E186 IonicContact NH2-OE1 4Å; R139-E186 PolarHBondContact NH2-OE1 2.69Å; S182-E186 PolarHBondContact O-N 2.98Å; L184-E186 VanDerWaalsContact C-N 3.32Å; L184-E186 PolarHBondContact O-N 3.18Å; E186-S189 PolarHBondContact O-N 2.82Å; E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 2.95Å
187M81.7Confident78.4Confident10 Ų1050 Ų505%0.04926%0.262CS..Hα-helixtrans-64.2-45.2-179.5-65.7173.1-170.300112L138 R139 W142 V183 L184 A190 D191L138-M187 HydrophobicContact CB-CE 4.05Å; R139-M187 HydrophobicContact CB-CE 3.67Å; R139-M187 HydrophobicContact CB-SD 4.32Å; R139-M187 HydrophobicContact CG-CE 4.28Å; W142-M187 HydrophobicContact CB-SD 4.08Å; W142-M187 HydrophobicContact CD2-CB 4.31Å; W142-M187 HydrophobicContact CG-CB 4.31Å; W142-M187 HydrophobicContact CG-SD 4.21Å; V183-M187 HydrophobicContact CG1-CE 3.56Å; V183-M187 WeakPolarHBondContact O-CG 3.41Å; V183-M187 PolarHBondContact O-N 3.03Å; L184-M187 PolarHBondContact O-N 2.76Å; M187-A190 PolarHBondContact O-N 3.38Å; M187-D191 PolarHBondContact O-N 3.47Å
188F82.5Confident76.4Confident30 Ų3051.2 Ų51.213%0.13228%0.277CS..Hα-helixtrans-63.7-44.1177.5-177.7-103000112.1W142 L184 A190 D191 V192 A229 D231 L234W142-F188 HydrophobicContact CH2-CB 4.23Å; W142-F188 HydrophobicContact CH2-CD2 4.08Å; W142-F188 HydrophobicContact CZ2-CB 4.23Å; W142-F188 HydrophobicContact CZ2-CD2 4.12Å; L184-F188 WeakPolarHBondContact O-CB 3.46Å; L184-F188 PolarHBondContact O-N 2.93Å; F188-A190 VanDerWaalsContact C-N 3.29Å; F188-A190 PolarHBondContact O-N 3.33Å; F188-D191 PolarHBondContact O-N 3.22Å; F188-V192 HydrophobicContact CD1-CG2 4.09Å; F188-V192 HydrophobicContact CD2-CG2 4.39Å; F188-V192 HydrophobicContact CE1-CG2 3.55Å; F188-V192 HydrophobicContact CE2-CG2 3.92Å; F188-V192 HydrophobicContact CG-CG2 4.48Å; F188-V192 HydrophobicContact CZ-CG2 3.46Å; F188-V192 VanDerWaalsContact CZ-CG2 3.46Å; F188-V192 WeakPolarHBondContact O-CG2 3.49Å; F188-V192 PolarHBondContact O-N 3.37Å; F188-A229 HydrophobicContact CZ-CB 4.28Å; F188-D231 WeakPolarHBondContact CD1-OD2 3.42Å; F188-D231 WeakPolarHBondContact CE1-OD1 3.32Å; F188-D231 WeakPolarHBondContact CE1-OD2 3.48Å; F188-D231 WeakPolarHBondContact CZ-OD1 3.42Å; F188-L234 HydrophobicContact CD2-CD1 3.45Å; F188-L234 VanDerWaalsContact CD2-CD1 3.45Å; F188-L234 HydrophobicContact CE2-CD1 3.64Å; F188-L234 HydrophobicContact CG-CD1 4.05Å; F188-L234 HydrophobicContact CZ-CD1 4.38Å
189S79.8Confident74.4Confident67 Ų6749.8 Ų49.847%0.46927%0.273SS..Hα-helixtrans-60.9-38.7176-600000112A185 E186 T193A185-S189 WeakPolarHBondContact O-CB 3.31Å; A185-S189 PolarHBondContact O-N 3.19Å; A185-S189 PolarHBondContact O-OG 2.79Å; E186-S189 PolarHBondContact O-N 2.82Å; S189-T193 WeakPolarHBondContact O-CB 3.46Å; S189-T193 PolarHBondContact O-N 3.38Å; S189-T193 PolarHBondContact O-OG1 2.91Å
190A75.2Confident72.2Confident42 Ų4253.2 Ų53.235%0.34728%0.284SS..Hα-helixtrans-64-44.3175.200000111.9E186 M187 F188 T193 R194E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 2.95Å; M187-A190 PolarHBondContact O-N 3.38Å; F188-A190 VanDerWaalsContact C-N 3.29Å; F188-A190 PolarHBondContact O-N 3.33Å; A190-T193 PolarHBondContact O-N 2.98Å; A190-R194 VanDerWaalsContact O-CG 3.29Å; A190-R194 WeakPolarHBondContact O-CG 3.44Å; A190-R194 PolarHBondContact O-N 2.91Å
191D70.1Confident69.9Low18 Ų1859.4 Ų59.410%0.09631%0.313CS..Hα-helixtrans-68.3-41.4178.2-78.7-15.1000113.1W142 R145 M187 F188 T193 R194 Q195W142-D191 PolarHBondContact NE1-OD2 2.92Å; R145-D191 IonicContact NH1-OD2 2.79Å; M187-D191 PolarHBondContact O-N 3.47Å; F188-D191 PolarHBondContact O-N 3.22Å; D191-T193 VanDerWaalsContact C-N 3.25Å; D191-T193 PolarHBondContact O-N 3.27Å; D191-R194 PolarHBondContact O-N 3.02Å; D191-R194 IonicContact OD1-CZ 3.93Å; D191-R194 IonicContact OD1-NH1 2.88Å; D191-R194 PolarHBondContact OD1-NH1 3.49Å; D191-Q195 WeakPolarHBondContact O-CG 3.45Å; D191-Q195 PolarHBondContact O-N 3.37Å
192V69.8Low67.3Low28 Ų2861 Ų6117%0.1732%0.32CS..Hα-helixtrans-62.6-34.5172.9173.10000111.4F188 R196F188-V192 HydrophobicContact CD1-CG2 4.09Å; F188-V192 HydrophobicContact CD2-CG2 4.39Å; F188-V192 HydrophobicContact CE1-CG2 3.55Å; F188-V192 HydrophobicContact CE2-CG2 3.92Å; F188-V192 HydrophobicContact CG-CG2 4.48Å; F188-V192 HydrophobicContact CZ-CG2 3.46Å; F188-V192 VanDerWaalsContact CZ-CG2 3.46Å; F188-V192 WeakPolarHBondContact O-CG2 3.49Å; F188-V192 PolarHBondContact O-N 3.37Å; V192-R196 WeakPolarHBondContact O-CB 3.3Å; V192-R196 PolarHBondContact O-N 3.08Å
193T67.2Low65.1Low69 Ų6961 Ų6142%0.42331%0.314SS..Hα-helixtrans-69.1-45.2175.3-55.90000111.5S189 A190 D191 Q195 R196 D197S189-T193 WeakPolarHBondContact O-CB 3.46Å; S189-T193 PolarHBondContact O-N 3.38Å; S189-T193 PolarHBondContact O-OG1 2.91Å; A190-T193 PolarHBondContact O-N 2.98Å; D191-T193 VanDerWaalsContact C-N 3.25Å; D191-T193 PolarHBondContact O-N 3.27Å; T193-Q195 VanDerWaalsContact C-N 3.31Å; T193-Q195 PolarHBondContact O-N 2.89Å; T193-R196 WeakPolarHBondContact O-CA 3.48Å; T193-R196 WeakPolarHBondContact O-CB 3.41Å; T193-R196 PolarHBondContact O-N 3.09Å; T193-R196 VanDerWaalsContact O-N 3.09Å; T193-D197 PolarHBondContact O-N 3.15Å
194R62.3Low63.3Low159 Ų15965.7 Ų65.760%0.634%0.338SS*.Hα-helixtrans-57.2-42.5174.2-71.1161.7173176.4-8.9112.3A190 D191 D197A190-R194 VanDerWaalsContact O-CG 3.29Å; A190-R194 WeakPolarHBondContact O-CG 3.44Å; A190-R194 PolarHBondContact O-N 2.91Å; D191-R194 PolarHBondContact O-N 3.02Å; D191-R194 IonicContact OD1-CZ 3.93Å; D191-R194 IonicContact OD1-NH1 2.88Å; D191-R194 PolarHBondContact OD1-NH1 3.49Å; R194-D197 PolarHBondContact O-N 3Å
195Q58.8Low61.1Low61 Ų6171.3 Ų71.329%0.28537%0.368SS..Hα-helixtrans-64.3-42.8174.9-69.8176.529.500111.7D191 T193 G198 I199 R421D191-Q195 WeakPolarHBondContact O-CG 3.45Å; D191-Q195 PolarHBondContact O-N 3.37Å; T193-Q195 VanDerWaalsContact C-N 3.31Å; T193-Q195 PolarHBondContact O-N 2.89Å; Q195-G198 PolarHBondContact O-N 3.25Å; Q195-I199 WeakPolarHBondContact O-CD1 3.31Å; Q195-I199 WeakPolarHBondContact O-CG1 3.18Å; Q195-I199 PolarHBondContact O-N 3.32Å; Q195-R421 PolarHBondContact NE2-O 3.39Å
196R56Low59.1Low80 Ų8076.5 Ų76.530%0.30239%0.385SS..Hα-helixtrans-57.6-48174.9-90-179.9173.2137.9-1.8111.6V192 T193 G198 I199 W200 L226V192-R196 WeakPolarHBondContact O-CB 3.3Å; V192-R196 PolarHBondContact O-N 3.08Å; T193-R196 WeakPolarHBondContact O-CA 3.48Å; T193-R196 WeakPolarHBondContact O-CB 3.41Å; T193-R196 PolarHBondContact O-N 3.09Å; T193-R196 VanDerWaalsContact O-N 3.09Å; R196-G198 VanDerWaalsContact C-N 3.26Å; R196-G198 PolarHBondContact O-N 3.49Å; R196-I199 CarbonylContact O-C 3.55Å; R196-I199 WeakPolarHBondContact O-CA 2.94Å; R196-I199 PolarHBondContact O-N 3.45Å; R196-W200 WeakPolarHBondContact O-CB 3.36Å; R196-W200 VanDerWaalsContact O-CD1 3.23Å; R196-W200 PolarHBondContact O-N 3.42Å; R196-L226 VanDerWaalsContact NH1-CD1 3.33Å
197D53Low57.1Low86 Ų8678.9 Ų78.946%0.4640%0.396SS..Hα-helixtrans-57.3-40.2-176.6-68.9-25.3000112.3T193 R194 Q201T193-D197 PolarHBondContact O-N 3.15Å; R194-D197 PolarHBondContact O-N 3Å; D197-Q201 WeakPolarHBondContact O-CG 3.47Å; D197-Q201 PolarHBondContact O-N 3.22Å
198G49.5Very low55.2Low36 Ų3685.4 Ų85.437%0.37143%0.431SS..Hα-helixtrans-64.5-3717300000114Q195 R196 M202Q195-G198 PolarHBondContact O-N 3.25Å; R196-G198 VanDerWaalsContact C-N 3.26Å; R196-G198 PolarHBondContact O-N 3.49Å; G198-M202 WeakPolarHBondContact O-CG 3.41Å
199I49.9Very low53.3Low89 Ų8991.4 Ų91.446%0.45646%0.464SS..Hα-helixtrans-77.6-37.3178.7-62161.7000111.7Q195 R196 M202 N203Q195-I199 WeakPolarHBondContact O-CD1 3.31Å; Q195-I199 WeakPolarHBondContact O-CG1 3.18Å; Q195-I199 PolarHBondContact O-N 3.32Å; R196-I199 CarbonylContact O-C 3.55Å; R196-I199 WeakPolarHBondContact O-CA 2.94Å; R196-I199 PolarHBondContact O-N 3.45Å; I199-M202 WeakPolarHBondContact O-CB 3.25Å; I199-M202 PolarHBondContact O-N 3.12Å; I199-N203 PolarHBondContact O-N 2.98Å; I199-N203 VanDerWaalsContact O-N 3.15Å
200W42.3Very low51.3Low115 Ų11592.1 Ų92.144%0.43647%0.469SS..Hα-helixtrans-64.3-41.2178.6-88.395.2000111.6R196 M202 N203 I204 W222R196-W200 WeakPolarHBondContact O-CB 3.36Å; R196-W200 VanDerWaalsContact O-CD1 3.23Å; R196-W200 PolarHBondContact O-N 3.42Å; W200-M202 VanDerWaalsContact C-N 3.29Å; W200-M202 PolarHBondContact O-N 3.37Å; W200-N203 PolarHBondContact O-N 3.31Å; W200-N203 VanDerWaalsContact O-N 3.15Å; W200-I204 WeakPolarHBondContact O-CG1 3.35Å; W200-I204 PolarHBondContact O-N 2.79Å; W200-W222 AromaticContact CH2-CH2 3.65Å; W200-W222 HydrophobicContact CH2-CH2 3.65Å; W200-W222 HydrophobicContact CH2-CZ3 4Å; W200-W222 AromaticContact CZ2-CH2 3.78Å; W200-W222 HydrophobicContact CZ2-CH2 3.78Å; W200-W222 AromaticContact CZ2-CZ3 3.62Å; W200-W222 HydrophobicContact CZ2-CZ3 3.62Å
201Q43Very low49.1Very low129 Ų12995.1 Ų95.160%0.60349%0.488SS*.Hα-helixtrans-61-38.9174.5-73.3161.214.800111.4D197 N203 I204 D205D197-Q201 WeakPolarHBondContact O-CG 3.47Å; D197-Q201 PolarHBondContact O-N 3.22Å; Q201-N203 VanDerWaalsContact C-N 3.31Å; Q201-N203 PolarHBondContact O-N 2.98Å; Q201-I204 PolarHBondContact O-N 2.86Å; Q201-D205 PolarHBondContact O-N 3.23Å
202M37.7Very low47.3Very low62 Ų62101.6 Ų101.631%0.30552%0.522SS..Hα-helixtrans-66.1-29.5175.2-55.9-121.7161.100114.3G198 I199 W200 K206 A406G198-M202 WeakPolarHBondContact O-CG 3.41Å; I199-M202 WeakPolarHBondContact O-CB 3.25Å; I199-M202 PolarHBondContact O-N 3.12Å; W200-M202 VanDerWaalsContact C-N 3.29Å; W200-M202 PolarHBondContact O-N 3.37Å; M202-K206 WeakPolarHBondContact O-CD 3.23Å; M202-K206 VanDerWaalsContact O-CG 3.27Å; M202-K206 WeakPolarHBondContact O-CG 3.39Å; M202-A406 HydrophobicContact CE-CB 4.12Å
203N43Very low45.9Very low78 Ų78106.4 Ų106.442%0.41755%0.551SS.*Hα-helixtrans-85.4-29.4-177.9-73.2-19000112.2I199 W200 Q201 K206 H207I199-N203 PolarHBondContact O-N 2.98Å; I199-N203 VanDerWaalsContact O-N 3.15Å; W200-N203 PolarHBondContact O-N 3.31Å; W200-N203 VanDerWaalsContact O-N 3.15Å; Q201-N203 VanDerWaalsContact C-N 3.31Å; Q201-N203 PolarHBondContact O-N 2.98Å; N203-K206 PolarHBondContact O-N 2.85Å; N203-H207 PolarHBondContact O-N 3.46Å
204I47Very low44.4Very low99 Ų99111.4 Ų111.451%0.50857%0.57SS.*Hα-helixtrans-65.2-50.4171.9-68.2166.3000109.7W200 Q201 K206 H207W200-I204 WeakPolarHBondContact O-CG1 3.35Å; W200-I204 PolarHBondContact O-N 2.79Å; Q201-I204 PolarHBondContact O-N 2.86Å; I204-K206 PolarHBondContact O-N 2.98Å; I204-K206 VanDerWaalsContact O-N 3.12Å; I204-H207 PolarHBondContact O-N 3Å
205D43.1Very low42.8Very low121 Ų121115.9 Ų115.965%0.64759%0.587SS**Hα-helixtrans-61.3-23.7179.2-73.2-9.2000113.9Q201Q201-D205 PolarHBondContact O-N 3.23Å
206K43.5Very low41.7Very low136 Ų136118.8 Ų118.859%0.59160%0.604SS**Hα-helixtrans-81.6-29.6175.7-75.9172.3-174173.60113.3M202 N203 I204M202-K206 WeakPolarHBondContact O-CD 3.23Å; M202-K206 VanDerWaalsContact O-CG 3.27Å; M202-K206 WeakPolarHBondContact O-CG 3.39Å; N203-K206 PolarHBondContact O-N 2.85Å; I204-K206 PolarHBondContact O-N 2.98Å; I204-K206 VanDerWaalsContact O-N 3.12Å
207H43.4Very low40.6Very low142 Ų142122.2 Ų122.266%0.65763%0.629SS**Hα-helixtrans-80.6-19.2-168.5-128.5-60.3000114.1N203 I204N203-H207 PolarHBondContact O-N 3.46Å; I204-H207 PolarHBondContact O-N 3Å
208D42.5Very low39.6Very low147 Ų147125.1 Ų125.179%0.78664%0.644SS**THydrogen-bonded Turntrans-86.1-1.8177.7-77-16.4000114.1
209L41.7Very low38.8Very low155 Ų155130 Ų13081%0.81267%0.666SS**THydrogen-bonded Turntrans-111.61.8-176.9-93.7143.1000115
210S38.9Very low38.2Very low83 Ų83134.6 Ų134.658%0.5868%0.679SS**  trans-137.381.5175.264.40000112.3
211S29.2Very low37.7Very low105 Ų105134.5 Ų134.573%0.73469%0.687SS**  trans-64.3147.8157.552.10000110.4
212D31.9Very low37.7Very low153 Ų153137.2 Ų137.282%0.81869%0.692SS**  trans81.356.8166.3-49.4-30.6000120
213V39.8Very low38Very low129 Ų129137.1 Ų137.178%0.78270%0.698SS**SBendtrans-138.7120.4142.6-175.90000112.2
214Q35.1Very low38.1Very low175 Ų175137.3 Ų137.382%0.81870%0.699SS**  trans20.2109158.6-66171.9-37.400119.7D216Q214-D216 PolarHBondContact O-N 2.81Å
215R29.7Very low38.2Very low252 Ų252139.3 Ų139.395%0.95171%0.706SS**  trans-82.4105.6161.8-69.2175.9176150.2-0.7110.4
216D35.6Very low38.5Very low122 Ų122138.2 Ų138.265%0.65270%0.699SS**  trans-133.7110166.9-101-44.7000112.1Q214 N218Q214-D216 PolarHBondContact O-N 2.81Å; D216-N218 PolarHBondContact O-N 3.37Å
217N32Very low38.8Very low153 Ų153139.1 Ų139.182%0.81871%0.705SS**  trans48.419.7142-65.3-35.8000122.9V219N217-V219 PolarHBondContact O-N 2.82Å
218N33.3Very low39Very low146 Ų146138.4 Ų138.478%0.78170%0.7SS**  trans-83.2100.9163.4-84.9-5.2000111.8D216 Y220D216-N218 PolarHBondContact O-N 3.37Å; N218-Y220 PolarHBondContact O-N 2.73Å
219V32.4Very low39.5Very low138 Ų138133.4 Ų133.484%0.83668%0.68SS**  trans-61115.1160.1175.40000107.4N217 D221N217-V219 PolarHBondContact O-N 2.82Å; V219-D221 PolarHBondContact O-N 3.22Å; V219-D221 VanDerWaalsContact O-N 3.08Å
220Y36.4Very low40.2Very low187 Ų187131.3 Ų131.373%0.73367%0.669SS**  trans-65.5108.3176.8-90.2-98.6000109.9N218 W222N218-Y220 PolarHBondContact O-N 2.73Å; Y220-W222 PolarHBondContact O-N 3.23Å
221D33.4Very low41.4Very low112 Ų112128.9 Ų128.960%0.59965%0.65SS**  trans-83.5103.9172.8-161.6-23.2000109.4V219 S223V219-D221 PolarHBondContact O-N 3.22Å; V219-D221 VanDerWaalsContact O-N 3.08Å; D221-S223 PolarHBondContact O-N 3.49Å; D221-S223 VanDerWaalsContact O-N 3.17Å; D221-S223 VanDerWaalsContact OD1-CB 3.25Å; D221-S223 WeakPolarHBondContact OD1-CB 3.49Å; D221-S223 PolarHBondContact OD1-N 3.41Å; D221-S223 PolarHBondContact OD1-OG 3.11Å
222W41.3Very low43.1Very low187 Ų187126.2 Ų126.271%0.70863%0.631SS**THydrogen-bonded Turntrans-69.8-9-175.1-67.385.1000113.6W200 Y220W200-W222 AromaticContact CH2-CH2 3.65Å; W200-W222 HydrophobicContact CH2-CH2 3.65Å; W200-W222 HydrophobicContact CH2-CZ3 4Å; W200-W222 AromaticContact CZ2-CH2 3.78Å; W200-W222 HydrophobicContact CZ2-CH2 3.78Å; W200-W222 AromaticContact CZ2-CZ3 3.62Å; W200-W222 HydrophobicContact CZ2-CZ3 3.62Å; Y220-W222 PolarHBondContact O-N 3.23Å
223S45.6Very low44.8Very low60 Ų60124.1 Ų124.142%0.4262%0.62SS.*THydrogen-bonded Turntrans-75.5-38.4-177-36.90000112.5D221 H225 L226D221-S223 PolarHBondContact O-N 3.49Å; D221-S223 VanDerWaalsContact O-N 3.17Å; D221-S223 VanDerWaalsContact OD1-CB 3.25Å; D221-S223 WeakPolarHBondContact OD1-CB 3.49Å; D221-S223 PolarHBondContact OD1-N 3.41Å; D221-S223 PolarHBondContact OD1-OG 3.11Å; S223-H225 PolarHBondContact O-N 3.23Å; S223-L226 PolarHBondContact O-N 2.77Å; S223-L226 VanDerWaalsContact O-N 3.1Å
224D45.4Very low46.5Very low82 Ų82119.6 Ų119.644%0.43959%0.591SS.*THydrogen-bonded Turntrans-76-0-152.8-162.345.4000115.3K228D224-K228 VanDerWaalsContact O-CD 3.25Å; D224-K228 WeakPolarHBondContact O-CD 3.49Å; D224-K228 WeakPolarHBondContact O-CE 3.33Å; D224-K228 WeakPolarHBondContact O-CG 3.08Å; D224-K228 PolarHBondContact O-NZ 3.24Å; D224-K228 IonicContact OD1-NZ 3.23Å; D224-K228 PolarHBondContact OD1-NZ 2.72Å; D224-K228 IonicContact OD2-NZ 3.03Å; D224-K228 PolarHBondContact OD2-NZ 2.64Å
225H47.8Very low48.9Very low141 Ų141114.2 Ų114.265%0.65356%0.564SS**THydrogen-bonded Turntrans-111.6-17.7172.7-93.5-43.7000114.4S223S223-H225 PolarHBondContact O-N 3.23Å
226L50.2Low51.7Low98 Ų98102.4 Ų102.451%0.51352%0.519SS..THydrogen-bonded Turntrans-72.8-39169-123.979000110.1R196 S223 K228 A229R196-L226 VanDerWaalsContact NH1-CD1 3.33Å; S223-L226 PolarHBondContact O-N 2.77Å; S223-L226 VanDerWaalsContact O-N 3.1Å; L226-K228 PolarHBondContact O-N 2.86Å; L226-K228 VanDerWaalsContact O-N 3.15Å; L226-A229 PolarHBondContact O-N 2.88Å
227E48.8Very low54.2Low155 Ų15598.6 Ų98.672%0.72450%0.502SS*.THydrogen-bonded Turntrans-68.3-10.6179.6-60.9-174.3-175.400114.3
228K47.5Very low56.9Low126 Ų12691.5 Ų91.555%0.54846%0.464SS..THydrogen-bonded Turntrans-97.5-9.3179.6-68.8177.7-172.9130.60113.9D224 L226D224-K228 VanDerWaalsContact O-CD 3.25Å; D224-K228 WeakPolarHBondContact O-CD 3.49Å; D224-K228 WeakPolarHBondContact O-CE 3.33Å; D224-K228 WeakPolarHBondContact O-CG 3.08Å; D224-K228 PolarHBondContact O-NZ 3.24Å; D224-K228 IonicContact OD1-NZ 3.23Å; D224-K228 PolarHBondContact OD1-NZ 2.72Å; D224-K228 IonicContact OD2-NZ 3.03Å; D224-K228 PolarHBondContact OD2-NZ 2.64Å; L226-K228 PolarHBondContact O-N 2.86Å; L226-K228 VanDerWaalsContact O-N 3.15Å
229A54Low59.4Low43 Ų4388 Ų8836%0.35544%0.444SS..SBendtrans-85.7118.7167.800000108.8F188 L226 D231F188-A229 HydrophobicContact CZ-CB 4.28Å; L226-A229 PolarHBondContact O-N 2.88Å; A229-D231 VanDerWaalsContact C-N 3.27Å; A229-D231 WeakPolarHBondContact CB-OD1 3.37Å; A229-D231 PolarHBondContact O-N 2.96Å
230D56Low61.8Low111 Ų11185.8 Ų85.859%0.59442%0.423SS*.  trans-8079174.4-177.910.1000110.5S232D230-S232 PolarHBondContact O-N 3.11Å; D230-S232 VanDerWaalsContact O-N 3.14Å; D230-S232 WeakPolarHBondContact OD1-CB 3.45Å; D230-S232 PolarHBondContact OD1-N 3.02Å; D230-S232 PolarHBondContact OD1-OG 3.3Å
231D64.7Low64.1Low32 Ų3277.2 Ų77.217%0.17139%0.391CS..G310 helixtrans-66.1-10.8176.9-61.11.8000112.7F188 A229 N233 L234 Y235F188-D231 WeakPolarHBondContact CD1-OD2 3.42Å; F188-D231 WeakPolarHBondContact CE1-OD1 3.32Å; F188-D231 WeakPolarHBondContact CE1-OD2 3.48Å; F188-D231 WeakPolarHBondContact CZ-OD1 3.42Å; A229-D231 VanDerWaalsContact C-N 3.27Å; A229-D231 WeakPolarHBondContact CB-OD1 3.37Å; A229-D231 PolarHBondContact O-N 2.96Å; D231-N233 PolarHBondContact O-N 3.21Å; D231-L234 HydrophobicContact CB-CD1 4.33Å; D231-L234 WeakPolarHBondContact O-CB 3.35Å; D231-L234 PolarHBondContact O-N 3.06Å; D231-Y235 HydrophobicContact CB-CD2 4.37Å; D231-Y235 HydrophobicContact CB-CE2 3.55Å; D231-Y235 WeakPolarHBondContact O-CD2 3.48Å
232S63.6Low66.9Low49 Ų4972.6 Ų72.634%0.34337%0.367SS..G310 helixtrans-59.6-28.6-167.278.10000112.5D230 L234 K240D230-S232 PolarHBondContact O-N 3.11Å; D230-S232 VanDerWaalsContact O-N 3.14Å; D230-S232 WeakPolarHBondContact OD1-CB 3.45Å; D230-S232 PolarHBondContact OD1-N 3.02Å; D230-S232 PolarHBondContact OD1-OG 3.3Å; S232-L234 VanDerWaalsContact C-N 3.28Å; S232-L234 PolarHBondContact O-N 2.78Å; S232-K240 PolarHBondContact O-NZ 3.22Å; S232-K240 PolarHBondContact OG-NZ 3.44Å
233N67.9Low69.4Low108 Ų10863.7 Ų63.758%0.57833%0.333SS*.G310 helixtrans-78.2-9.3-179.2-65-39.5000114D231 K240D231-N233 PolarHBondContact O-N 3.21Å; N233-K240 PolarHBondContact OD1-NZ 3.06Å
234L75.2Confident71.7Confident35 Ų3560.9 Ų60.918%0.18331%0.313CS..THydrogen-bonded Turntrans-88.3-34.5178.7-55.3170.3000112W142 F188 D231 S232W142-L234 HydrophobicContact CH2-CD1 4.01Å; W142-L234 HydrophobicContact CH2-CD2 3.91Å; W142-L234 HydrophobicContact CH2-CG 4.41Å; W142-L234 HydrophobicContact CZ3-CD2 4.06Å; F188-L234 HydrophobicContact CD2-CD1 3.45Å; F188-L234 VanDerWaalsContact CD2-CD1 3.45Å; F188-L234 HydrophobicContact CE2-CD1 3.64Å; F188-L234 HydrophobicContact CG-CD1 4.05Å; F188-L234 HydrophobicContact CZ-CD1 4.38Å; D231-L234 HydrophobicContact CB-CD1 4.33Å; D231-L234 WeakPolarHBondContact O-CB 3.35Å; D231-L234 PolarHBondContact O-N 3.06Å; S232-L234 VanDerWaalsContact C-N 3.28Å; S232-L234 PolarHBondContact O-N 2.78Å
235Y85.4Confident74.1Confident62 Ų6257 Ų5724%0.24329%0.292CS..SBendtrans-77.2144.2-173.6-61.3-64.5000113.8N181 A185 D231 S237 N242N181-Y235 HydrophobicContact CB-CD1 4.05Å; A185-Y235 HydrophobicContact CB-CE1 4.18Å; D231-Y235 HydrophobicContact CB-CD2 4.37Å; D231-Y235 HydrophobicContact CB-CE2 3.55Å; D231-Y235 WeakPolarHBondContact O-CD2 3.48Å; Y235-S237 PolarHBondContact O-N 3.21Å; Y235-N242 PolarHBondContact O-ND2 3.44Å
236F89Confident76.4Confident3 Ų350.2 Ų50.21%0.01326%0.261CS..  trans-72.1126.8169.6-62.8-63.8000110.2L148 L150 I177 V180 N181 L184 V243L148-F236 HydrophobicContact CB-CE1 3.93Å; L148-F236 HydrophobicContact CB-CZ 3.69Å; L148-F236 HydrophobicContact CD1-CZ 4.29Å; L150-F236 HydrophobicContact CB-CB 4.44Å; L150-F236 HydrophobicContact CB-CD1 3.52Å; L150-F236 HydrophobicContact CB-CD2 4.26Å; L150-F236 HydrophobicContact CB-CE1 3.7Å; L150-F236 HydrophobicContact CB-CE2 4.39Å; L150-F236 HydrophobicContact CB-CG 3.82Å; L150-F236 HydrophobicContact CB-CZ 4.13Å; L150-F236 HydrophobicContact CD2-CB 3.93Å; L150-F236 HydrophobicContact CD2-CD1 4.47Å; L150-F236 HydrophobicContact CD2-CD2 4.06Å; L150-F236 HydrophobicContact CD2-CG 3.9Å; L150-F236 HydrophobicContact CG-CG 4.48Å; I177-F236 HydrophobicContact CG2-CB 4.42Å; V180-F236 HydrophobicContact CB-CD2 4.33Å; V180-F236 HydrophobicContact CG1-CD2 3.45Å; V180-F236 VanDerWaalsContact CG1-CD2 3.45Å; V180-F236 HydrophobicContact CG1-CE2 3.39Å; N181-F236 PolarHBondContact ND2-O 3.18Å; N181-F236 WeakPolarHBondContact OD1-CB 3.39Å; N181-F236 PolarHBondContact OD1-N 2.7Å; L184-F236 HydrophobicContact CD1-CD2 3.69Å; L184-F236 HydrophobicContact CD1-CE2 3.48Å; L184-F236 VanDerWaalsContact CD1-CE2 3.48Å; L184-F236 HydrophobicContact CD1-CZ 4.27Å; L184-F236 HydrophobicContact CG-CE2 4.35Å; F236-V243 HydrophobicContact CB-CG2 3.92Å
237S88.2Confident78.5Confident43 Ų4345.6 Ų45.630%0.30124%0.237SC..  trans-151.7109.8-174.8-76.20000108.9Y235 E239 K240 N242Y235-S237 PolarHBondContact O-N 3.21Å; S237-E239 PolarHBondContact O-N 3.18Å; S237-K240 WeakPolarHBondContact O-CB 3.35Å; S237-K240 PolarHBondContact O-N 3.27Å; S237-N242 PolarHBondContact N-OD1 3.1Å; S237-N242 PolarHBondContact O-OD1 3.3Å
238P89.6Confident80.4Confident3 Ų338.3 Ų38.32%0.01920%0.203CC..G310 helixtrans-53.6-27.3-177.2-3138.2000115I177 K240 G241 V243 F245 V256 W279I177-P238 HydrophobicContact CD1-CG 3.81Å; P238-K240 VanDerWaalsContact C-N 3.32Å; P238-K240 PolarHBondContact O-N 2.9Å; P238-G241 PolarHBondContact O-N 2.9Å; P238-G241 VanDerWaalsContact O-N 3.09Å; P238-V243 HydrophobicContact CB-CB 4.32Å; P238-V243 HydrophobicContact CG-CB 3.9Å; P238-V243 HydrophobicContact CG-CG1 4.25Å; P238-V243 HydrophobicContact CG-CG2 3.93Å; P238-F245 HydrophobicContact CB-CE2 4.04Å; P238-F245 HydrophobicContact CB-CZ 4.2Å; P238-F245 HydrophobicContact CG-CE2 4.14Å; P238-F245 HydrophobicContact CG-CZ 3.82Å; P238-V256 HydrophobicContact CB-CG2 3.84Å; P238-W279 HydrophobicContact CB-CB 4.5Å; P238-W279 HydrophobicContact CB-CD2 3.82Å; P238-W279 HydrophobicContact CB-CE3 4.04Å; P238-W279 HydrophobicContact CB-CG 4Å; P238-W279 HydrophobicContact CG-CD2 3.74Å; P238-W279 HydrophobicContact CG-CE3 4.1Å; P238-W279 HydrophobicContact CG-CG 4.2Å; P238-W279 HydrophobicContact CG-CH2 4.29Å; P238-W279 HydrophobicContact CG-CZ2 3.93Å; P238-W279 HydrophobicContact CG-CZ3 4.35Å
239E84.6Confident82.4Confident74 Ų7435.5 Ų35.535%0.34620%0.196SC..G310 helixtrans-61.1-34.6173.3-60.8177.5-149.600113.7S237 G241 Q275 W279S237-E239 PolarHBondContact O-N 3.18Å; E239-G241 VanDerWaalsContact C-N 3.26Å; E239-G241 PolarHBondContact O-N 2.8Å; E239-Q275 PolarHBondContact O-NE2 3.03Å; E239-W279 HydrophobicContact CG-CB 3.98Å
240K83.8Confident84Confident90 Ų9033.5 Ų33.539%0.39118%0.18SC..G310 helixtrans-79.1-6.4175.2-65.1-165.9172.2-167.10112.7S232 N233 S237 P238 N242S232-K240 PolarHBondContact O-NZ 3.22Å; S232-K240 PolarHBondContact OG-NZ 3.44Å; N233-K240 PolarHBondContact OD1-NZ 3.06Å; S237-K240 WeakPolarHBondContact O-CB 3.35Å; S237-K240 PolarHBondContact O-N 3.27Å; P238-K240 VanDerWaalsContact C-N 3.32Å; P238-K240 PolarHBondContact O-N 2.9Å; K240-N242 PolarHBondContact O-N 2.81Å
241G84.8Confident85.5Confident7 Ų728.6 Ų28.67%0.07215%0.154CC..THydrogen-bonded Turntrans77.9-5.7-176.600000115.2P238 E239 V243 R255 I379P238-G241 PolarHBondContact O-N 2.9Å; P238-G241 VanDerWaalsContact O-N 3.09Å; E239-G241 VanDerWaalsContact C-N 3.26Å; E239-G241 PolarHBondContact O-N 2.8Å; G241-V243 PolarHBondContact O-N 3.4Å; G241-V243 VanDerWaalsContact O-N 3.08Å; G241-R255 WeakPolarHBondContact O-CD 3.48Å; G241-I379 WeakPolarHBondContact O-CD1 3.44Å
242N90.5Very high86.8Confident16 Ų1627.2 Ų27.29%0.08615%0.146CC..  trans-74.16.9-179.169.5-2.7000114.9L150 Y235 S237 K240 I379L150-N242 PolarHBondContact N-O 3.36Å; Y235-N242 PolarHBondContact O-ND2 3.44Å; S237-N242 PolarHBondContact N-OD1 3.1Å; S237-N242 PolarHBondContact O-OD1 3.3Å; K240-N242 PolarHBondContact O-N 2.81Å; N242-I379 HydrophobicContact CB-CD1 4.41Å
243V94.3Very high88.2Confident0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-122126.2172.5-172.40000110L150 L152 I177 F236 P238 G241 F245L150-V243 HydrophobicContact CB-CG2 4.37Å; L150-V243 HydrophobicContact CD2-CG1 4.33Å; L150-V243 HydrophobicContact CD2-CG2 4.28Å; L150-V243 HydrophobicContact CG-CG1 4.44Å; L150-V243 CarbonylContact O-C 3.53Å; L150-V243 WeakPolarHBondContact O-CA 3.35Å; L152-V243 HydrophobicContact CD1-CG1 3.95Å; L152-V243 HydrophobicContact CG-CG1 4.1Å; I177-V243 HydrophobicContact CD1-CG1 4.28Å; F236-V243 HydrophobicContact CB-CG2 3.92Å; P238-V243 HydrophobicContact CB-CB 4.32Å; P238-V243 HydrophobicContact CG-CB 3.9Å; P238-V243 HydrophobicContact CG-CG1 4.25Å; P238-V243 HydrophobicContact CG-CG2 3.93Å; G241-V243 PolarHBondContact O-N 3.4Å; G241-V243 VanDerWaalsContact O-N 3.08Å; V243-F245 HydrophobicContact CG1-CE1 4.44Å; V243-F245 HydrophobicContact CG1-CE2 4.15Å; V243-F245 HydrophobicContact CG1-CZ 4.01Å
244V95.1Very high89.5Confident0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-109131.3173.9178.80000108.9L149 L150 L152 R255 T371 L372 A375L149-V244 HydrophobicContact CD2-CG2 3.99Å; L150-V244 PolarHBondContact O-N 2.91Å; L152-V244 PolarHBondContact N-O 2.87Å; V244-R255 HydrophobicContact CG2-CG 3.86Å; V244-T371 HydrophobicContact CG1-CG2 4.08Å; V244-L372 HydrophobicContact CB-CD2 4.43Å; V244-L372 HydrophobicContact CG1-CD2 4.05Å; V244-L372 HydrophobicContact CG2-CD2 4.28Å; V244-A375 HydrophobicContact CG2-CB 4.11Å
245F95.9Very high90.3Very high0 Ų018.5 Ų18.50%010%0.095CC..EExtended strand (participates in β ladder)trans-101.6123.5175.5-62.4-87.2000109.2L152 I155 M173 I177 P238 V243 G253 F254 V256 W279 F309L152-F245 HydrophobicContact CB-CD1 4.39Å; L152-F245 HydrophobicContact CD1-CD1 3.96Å; L152-F245 HydrophobicContact CD1-CE1 3.64Å; L152-F245 HydrophobicContact CD1-CZ 4.46Å; I155-F245 HydrophobicContact CD1-CB 3.65Å; I155-F245 HydrophobicContact CD1-CD1 4.07Å; I155-F245 HydrophobicContact CD1-CG 4.37Å; M173-F245 HydrophobicContact CB-CE1 4.38Å; M173-F245 HydrophobicContact SD-CD1 3.64Å; M173-F245 HydrophobicContact SD-CE1 3.85Å; I177-F245 HydrophobicContact CD1-CZ 4.35Å; P238-F245 HydrophobicContact CB-CE2 4.04Å; P238-F245 HydrophobicContact CB-CZ 4.2Å; P238-F245 HydrophobicContact CG-CE2 4.14Å; P238-F245 HydrophobicContact CG-CZ 3.82Å; V243-F245 HydrophobicContact CG1-CE1 4.44Å; V243-F245 HydrophobicContact CG1-CE2 4.15Å; V243-F245 HydrophobicContact CG1-CZ 4.01Å; F245-G253 CarbonylContact O-C 3.56Å; F245-G253 WeakPolarHBondContact O-CA 3.25Å; F245-F254 HydrophobicContact CB-CD1 4.39Å; F245-F254 HydrophobicContact CB-CD2 4.07Å; F245-F254 HydrophobicContact CB-CE1 3.99Å; F245-F254 HydrophobicContact CB-CE2 3.63Å; F245-F254 HydrophobicContact CB-CG 4.43Å; F245-F254 HydrophobicContact CB-CZ 3.59Å; F245-F254 HydrophobicContact CD2-CD2 4.09Å; F245-F254 AromaticContact CD2-CE2 3.56Å; F245-F254 HydrophobicContact CD2-CE2 3.56Å; F245-F254 HydrophobicContact CD2-CZ 4.24Å; F245-F254 HydrophobicContact CE2-CE2 4.47Å; F245-F254 HydrophobicContact CG-CD2 4.48Å; F245-F254 AromaticContact CG-CE2 3.79Å; F245-F254 HydrophobicContact CG-CE2 3.79Å; F245-F254 HydrophobicContact CG-CZ 4Å; F245-F254 PolarHBondContact N-O 3Å; F245-F254 PolarHBondContact O-N 3.39Å; F245-V256 HydrophobicContact CE2-CG2 4.4Å; F245-W279 AromaticContact CE1-CH2 3.89Å; F245-W279 HydrophobicContact CE1-CH2 3.89Å; F245-W279 AromaticContact CE1-CZ3 3.91Å; F245-W279 HydrophobicContact CE1-CZ3 3.91Å; F245-W279 HydrophobicContact CE2-CZ3 4.09Å; F245-W279 HydrophobicContact CZ-CE3 4.1Å; F245-W279 AromaticContact CZ-CH2 3.55Å; F245-W279 HydrophobicContact CZ-CH2 3.55Å; F245-W279 HydrophobicContact CZ-CZ2 4.45Å; F245-W279 AromaticContact CZ-CZ3 3.33Å; F245-W279 HydrophobicContact CZ-CZ3 3.33Å; F245-F309 HydrophobicContact CE2-CZ 4.4Å; F245-F309 HydrophobicContact CZ-CZ 4.45Å
246C95.1Very high90.5Very high0 Ų015.6 Ų15.60%08%0.084CC..EExtended strand (participates in β ladder)trans-146.3161.5-17461.20000116.3L152 N153 K154 I155 W252 L368L152-C246 PolarHBondContact O-N 3.4Å; L152-C246 PolarHBondContact O-SG 3.46Å; L152-C246 VanDerWaalsContact O-SG 3.37Å; N153-C246 CarbonylContact C-O 3.47Å; N153-C246 WeakPolarHBondContact CA-O 3.41Å; K154-C246 PolarHBondContact N-O 2.99Å; I155-C246 PolarHBondContact N-O 2.88Å; C246-W252 WeakPolarHBondContact CA-O 3.3Å; C246-W252 WeakPolarHBondContact CB-O 3.37Å; C246-L368 HydrophobicContact CB-CD1 3.45Å; C246-L368 VanDerWaalsContact CB-CD1 3.45Å
247S93.8Very high90.4Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-124.7110.9155174.70000108.3D156 V249 D250 S251 W252D156-S247 VanDerWaalsContact OD1-CB 3.28Å; D156-S247 WeakPolarHBondContact OD1-CB 3.37Å; D156-S247 PolarHBondContact OD1-OG 2.8Å; S247-V249 VanDerWaalsContact C-N 3.28Å; S247-V249 PolarHBondContact O-N 3.26Å; S247-D250 PolarHBondContact OG-N 3.03Å; S247-S251 WeakPolarHBondContact O-CA 3.42Å; S247-S251 PolarHBondContact O-N 2.83Å; S247-W252 PolarHBondContact N-O 2.97Å; S247-W252 PolarHBondContact O-N 3.19Å; S247-W252 VanDerWaalsContact O-N 3.1Å
248S90.1Very high90.3Very high2 Ų217.6 Ų17.61%0.0149%0.09CC..THydrogen-bonded Turntrans-66-32.9176.5-58.10000112.2N153 S251N153-S248 VanDerWaalsContact CG-OG 3.28Å; N153-S248 PolarHBondContact ND2-OG 2.75Å; N153-S248 WeakPolarHBondContact OD1-CB 3.4Å; N153-S248 PolarHBondContact OD1-N 2.98Å; N153-S248 PolarHBondContact OD1-OG 3.17Å; S248-S251 PolarHBondContact O-N 2.74Å; S248-S251 PolarHBondContact O-OG 2.85Å
249V88Confident90.3Very high68 Ų6817.9 Ų17.941%0.4129%0.091SC..THydrogen-bonded Turntrans-67.3-46.6-178.4-173.20000111.5S247 S251S247-V249 VanDerWaalsContact C-N 3.28Å; S247-V249 PolarHBondContact O-N 3.26Å; V249-S251 VanDerWaalsContact C-N 3.26Å
250D88.2Confident90.4Very high1 Ų114.4 Ų14.41%0.0057%0.074CC..THydrogen-bonded Turntrans-89.87.3175.9-61.8-28.3000112.4S247 W252 Y321 R355S247-D250 PolarHBondContact OG-N 3.03Å; D250-W252 VanDerWaalsContact C-N 3.27Å; D250-W252 PolarHBondContact O-N 2.92Å; D250-Y321 WeakPolarHBondContact OD2-CE1 3.39Å; D250-Y321 PolarHBondContact OD2-OH 3.34Å; D250-R355 IonicContact OD1-CZ 3.05Å; D250-R355 VanDerWaalsContact OD1-CZ 3.25Å; D250-R355 IonicContact OD1-NE 2.73Å; D250-R355 PolarHBondContact OD1-NE 2.85Å; D250-R355 IonicContact OD1-NH2 2.76Å; D250-R355 PolarHBondContact OD1-NH2 3.38Å; D250-R355 IonicContact OD2-NH2 3.82Å; D250-R355 PolarHBondContact OD2-NH2 3.49Å
251S87.7Confident90.3Very high8 Ų816.2 Ų16.26%0.0568%0.084CC..THydrogen-bonded Turntrans52.633.7174.2-53.40000116.1S247 S248 V249 R359 L368S247-S251 WeakPolarHBondContact O-CA 3.42Å; S247-S251 PolarHBondContact O-N 2.83Å; S248-S251 PolarHBondContact O-N 2.74Å; S248-S251 PolarHBondContact O-OG 2.85Å; V249-S251 VanDerWaalsContact C-N 3.26Å; S251-R359 VanDerWaalsContact OG-CZ 3.23Å; S251-R359 PolarHBondContact OG-NE 3.36Å; S251-R359 PolarHBondContact OG-NH2 2.99Å; S251-L368 WeakPolarHBondContact O-CB 3.33Å; S251-L368 PolarHBondContact O-N 3.46Å
252W92.4Very high90.2Very high2 Ų218.8 Ų18.81%0.00810%0.099CC..EExtended strand (participates in β ladder)trans-115.9149.8173.969-95.5000112.1I155 C246 S247 D250 F254 L317 Y321 L362 L366I155-W252 HydrophobicContact CB-CH2 4.04Å; I155-W252 HydrophobicContact CB-CZ2 4.31Å; I155-W252 HydrophobicContact CD1-CH2 4.21Å; I155-W252 HydrophobicContact CG2-CH2 4Å; I155-W252 HydrophobicContact CG2-CZ2 4.35Å; C246-W252 WeakPolarHBondContact CA-O 3.3Å; C246-W252 WeakPolarHBondContact CB-O 3.37Å; S247-W252 PolarHBondContact N-O 2.97Å; S247-W252 PolarHBondContact O-N 3.19Å; S247-W252 VanDerWaalsContact O-N 3.1Å; D250-W252 VanDerWaalsContact C-N 3.27Å; D250-W252 PolarHBondContact O-N 2.92Å; W252-F254 AromaticContact CE3-CD1 3.98Å; W252-F254 HydrophobicContact CE3-CD1 3.98Å; W252-F254 HydrophobicContact CE3-CE1 4.33Å; W252-F254 HydrophobicContact CH2-CE1 4.18Å; W252-F254 AromaticContact CZ3-CD1 3.54Å; W252-F254 HydrophobicContact CZ3-CD1 3.54Å; W252-F254 AromaticContact CZ3-CE1 3.47Å; W252-F254 HydrophobicContact CZ3-CE1 3.47Å; W252-F254 VanDerWaalsContact CZ3-CE1 3.47Å; W252-L317 HydrophobicContact CH2-CD1 4.36Å; W252-L317 HydrophobicContact CZ3-CD1 4.41Å; W252-Y321 HydrophobicContact CZ2-CE2 4.49Å; W252-Y321 AromaticContact NE1-CZ 3.94Å; W252-Y321 PolarHBondContact NE1-OH 3.13Å; W252-L362 HydrophobicContact CB-CB 3.87Å; W252-L362 HydrophobicContact CG-CB 3.99Å; W252-L362 HydrophobicContact CG-CD1 4.18Å; W252-L366 CarbonylContact C-O 3.32Å; W252-L366 WeakPolarHBondContact CA-O 3.49Å; W252-L366 HydrophobicContact CB-CB 4.36Å; W252-L366 WeakPolarHBondContact CB-O 3.28Å
253G93.5Very high90Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-164.6146.1174.100000111.5F245 L366 T371F245-G253 CarbonylContact O-C 3.56Å; F245-G253 WeakPolarHBondContact O-CA 3.25Å; G253-L366 PolarHBondContact N-O 2.96Å; G253-T371 WeakPolarHBondContact O-CB 3.5Å; G253-T371 PolarHBondContact O-OG1 2.8Å
254F93.6Very high89.7Confident1 Ų121.7 Ų21.70%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-137.5160.2-179.166.8-103.7000112.4F245 W252 F259 F309 V313 L317 L366F245-F254 HydrophobicContact CB-CD1 4.39Å; F245-F254 HydrophobicContact CB-CD2 4.07Å; F245-F254 HydrophobicContact CB-CE1 3.99Å; F245-F254 HydrophobicContact CB-CE2 3.63Å; F245-F254 HydrophobicContact CB-CG 4.43Å; F245-F254 HydrophobicContact CB-CZ 3.59Å; F245-F254 HydrophobicContact CD2-CD2 4.09Å; F245-F254 AromaticContact CD2-CE2 3.56Å; F245-F254 HydrophobicContact CD2-CE2 3.56Å; F245-F254 HydrophobicContact CD2-CZ 4.24Å; F245-F254 HydrophobicContact CE2-CE2 4.47Å; F245-F254 HydrophobicContact CG-CD2 4.48Å; F245-F254 AromaticContact CG-CE2 3.79Å; F245-F254 HydrophobicContact CG-CE2 3.79Å; F245-F254 HydrophobicContact CG-CZ 4Å; F245-F254 PolarHBondContact N-O 3Å; F245-F254 PolarHBondContact O-N 3.39Å; W252-F254 AromaticContact CE3-CD1 3.98Å; W252-F254 HydrophobicContact CE3-CD1 3.98Å; W252-F254 HydrophobicContact CE3-CE1 4.33Å; W252-F254 HydrophobicContact CH2-CE1 4.18Å; W252-F254 AromaticContact CZ3-CD1 3.54Å; W252-F254 HydrophobicContact CZ3-CD1 3.54Å; W252-F254 AromaticContact CZ3-CE1 3.47Å; W252-F254 HydrophobicContact CZ3-CE1 3.47Å; W252-F254 VanDerWaalsContact CZ3-CE1 3.47Å; F254-F259 HydrophobicContact CB-CD2 4.43Å; F254-F259 HydrophobicContact CB-CE2 3.74Å; F254-F259 HydrophobicContact CB-CZ 4.44Å; F254-F259 AromaticContact CD1-CE2 3.92Å; F254-F259 HydrophobicContact CD1-CE2 3.92Å; F254-F259 HydrophobicContact CD1-CZ 4.47Å; F254-F259 AromaticContact CD2-CD2 3.95Å; F254-F259 HydrophobicContact CD2-CD2 3.95Å; F254-F259 AromaticContact CD2-CE2 3.52Å; F254-F259 HydrophobicContact CD2-CE2 3.52Å; F254-F259 HydrophobicContact CE1-CE2 4.37Å; F254-F259 HydrophobicContact CE2-CD2 4.46Å; F254-F259 HydrophobicContact CE2-CE2 4.03Å; F254-F259 HydrophobicContact CG-CD2 4.27Å; F254-F259 AromaticContact CG-CE2 3.47Å; F254-F259 HydrophobicContact CG-CE2 3.47Å; F254-F259 VanDerWaalsContact CG-CE2 3.47Å; F254-F259 HydrophobicContact CG-CZ 4.33Å; F254-F259 HydrophobicContact CZ-CE2 4.43Å; F254-F309 AromaticContact CE2-CE2 3.87Å; F254-F309 HydrophobicContact CE2-CE2 3.87Å; F254-F309 AromaticContact CE2-CZ 3.77Å; F254-F309 HydrophobicContact CE2-CZ 3.77Å; F254-F309 HydrophobicContact CZ-CE2 4.29Å; F254-F309 AromaticContact CZ-CZ 3.81Å; F254-F309 HydrophobicContact CZ-CZ 3.81Å; F254-V313 HydrophobicContact CE1-CG1 3.87Å; F254-V313 HydrophobicContact CE2-CG1 3.83Å; F254-V313 HydrophobicContact CZ-CG1 3.46Å; F254-V313 VanDerWaalsContact CZ-CG1 3.46Å; F254-L317 HydrophobicContact CD1-CD1 4.31Å; F254-L317 HydrophobicContact CE1-CD1 3.61Å; F254-L317 HydrophobicContact CZ-CD1 4.43Å; F254-L366 HydrophobicContact CB-CD1 4.36Å; F254-L366 HydrophobicContact CB-CD2 4.25Å; F254-L366 HydrophobicContact CD1-CD1 4.04Å
255R92.6Very high89.2Confident9 Ų928.5 Ų28.53%0.03414%0.144CC..  trans-114164.5162.3-71.2-166.7-44.3-114.726.2110.1G241 V244 D257 T371 H374 D378G241-R255 WeakPolarHBondContact O-CD 3.48Å; V244-R255 HydrophobicContact CG2-CG 3.86Å; R255-D257 VanDerWaalsContact C-N 3.35Å; R255-D257 WeakPolarHBondContact CB-OD1 3.43Å; R255-D257 IonicContact CZ-OD1 2.69Å; R255-D257 IonicContact CZ-OD2 3.58Å; R255-D257 VanDerWaalsContact CZ-OD2 3.24Å; R255-D257 IonicContact NE-OD1 3.16Å; R255-D257 PolarHBondContact NE-OD1 2.9Å; R255-D257 IonicContact NE-OD2 2.13Å; R255-D257 PolarHBondContact NE-OD2 3.49Å; R255-D257 IonicContact NH2-OD1 3.99Å; R255-D257 IonicContact NH2-OD2 3.76Å; R255-D257 PolarHBondContact NH2-OD2 2.87Å; R255-T371 HydrophobicContact CG-CG2 4.01Å; R255-T371 PolarHBondContact NH1-O 3.37Å; R255-H374 VanDerWaalsContact NH1-C 3.34Å; R255-H374 VanDerWaalsContact NH1-CB 3.34Å; R255-D378 IonicContact CZ-OD2 2.84Å; R255-D378 IonicContact NH1-OD2 3.78Å; R255-D378 IonicContact NH2-OD2 3.56Å; R255-D378 PolarHBondContact NH2-OD2 3.42Å
256V90.4Very high88.7Confident1 Ų134.8 Ų34.81%0.00617%0.168CC..Hα-helixtrans-63.3-38.9178.7161.30000112.1P238 F245 Q258 F259 C260 L278 F309P238-V256 HydrophobicContact CB-CG2 3.84Å; F245-V256 HydrophobicContact CE2-CG2 4.4Å; V256-Q258 PolarHBondContact O-N 2.8Å; V256-F259 PolarHBondContact O-N 3.06Å; V256-C260 PolarHBondContact O-N 2.87Å; V256-C260 VanDerWaalsContact O-N 3.15Å; V256-C260 PolarHBondContact O-SG 2.85Å; V256-L278 HydrophobicContact CB-CD2 4.31Å; V256-L278 HydrophobicContact CG1-CB 4.07Å; V256-L278 HydrophobicContact CG1-CD2 3.79Å; V256-L278 HydrophobicContact CG2-CD2 4.33Å; V256-F309 HydrophobicContact CG2-CE2 4.42Å
257D87Confident88.1Confident34 Ų3435.9 Ų35.918%0.18217%0.174CC..Hα-helixtrans-61.6-40.7-17959.5-10.4000114.3R255 F259 C260 Q261R255-D257 VanDerWaalsContact C-N 3.35Å; R255-D257 WeakPolarHBondContact CB-OD1 3.43Å; R255-D257 IonicContact CZ-OD1 2.69Å; R255-D257 IonicContact CZ-OD2 3.58Å; R255-D257 VanDerWaalsContact CZ-OD2 3.24Å; R255-D257 IonicContact NE-OD1 3.16Å; R255-D257 PolarHBondContact NE-OD1 2.9Å; R255-D257 IonicContact NE-OD2 2.13Å; R255-D257 PolarHBondContact NE-OD2 3.49Å; R255-D257 IonicContact NH2-OD1 3.99Å; R255-D257 IonicContact NH2-OD2 3.76Å; R255-D257 PolarHBondContact NH2-OD2 2.87Å; D257-F259 VanDerWaalsContact C-N 3.26Å; D257-F259 PolarHBondContact O-N 3.23Å; D257-C260 WeakPolarHBondContact O-CB 3.31Å; D257-C260 PolarHBondContact O-N 2.82Å; D257-Q261 PolarHBondContact O-N 2.84Å
258Q86Confident87.6Confident53 Ų5340.9 Ų40.925%0.24821%0.209CC..Hα-helixtrans-56.3-41.4177-67.8175.4-37.400111.7V256 T371V256-Q258 PolarHBondContact O-N 2.8Å; Q258-T371 PolarHBondContact NE2-OG1 3.4Å; Q258-T371 PolarHBondContact OE1-OG1 2.88Å
259F88.1Confident87.3Confident10 Ų1041.4 Ų41.44%0.04421%0.212CC..Hα-helixtrans-73.1-34.2175.2-76.7-61.1000112.6F254 V256 D257 Q261 T262 W263 L278 V313 W365 L366F254-F259 HydrophobicContact CB-CD2 4.43Å; F254-F259 HydrophobicContact CB-CE2 3.74Å; F254-F259 HydrophobicContact CB-CZ 4.44Å; F254-F259 AromaticContact CD1-CE2 3.92Å; F254-F259 HydrophobicContact CD1-CE2 3.92Å; F254-F259 HydrophobicContact CD1-CZ 4.47Å; F254-F259 AromaticContact CD2-CD2 3.95Å; F254-F259 HydrophobicContact CD2-CD2 3.95Å; F254-F259 AromaticContact CD2-CE2 3.52Å; F254-F259 HydrophobicContact CD2-CE2 3.52Å; F254-F259 HydrophobicContact CE1-CE2 4.37Å; F254-F259 HydrophobicContact CE2-CD2 4.46Å; F254-F259 HydrophobicContact CE2-CE2 4.03Å; F254-F259 HydrophobicContact CG-CD2 4.27Å; F254-F259 AromaticContact CG-CE2 3.47Å; F254-F259 HydrophobicContact CG-CE2 3.47Å; F254-F259 VanDerWaalsContact CG-CE2 3.47Å; F254-F259 HydrophobicContact CG-CZ 4.33Å; F254-F259 HydrophobicContact CZ-CE2 4.43Å; V256-F259 PolarHBondContact O-N 3.06Å; D257-F259 VanDerWaalsContact C-N 3.26Å; D257-F259 PolarHBondContact O-N 3.23Å; F259-Q261 VanDerWaalsContact C-N 3.3Å; F259-Q261 PolarHBondContact O-N 3.17Å; F259-T262 PolarHBondContact O-N 3.25Å; F259-W263 AromaticContact CD1-NE1 3.91Å; F259-W263 WeakPolarHBondContact O-CB 3.15Å; F259-W263 VanDerWaalsContact O-CD1 3.25Å; F259-W263 PolarHBondContact O-N 3.22Å; F259-L278 HydrophobicContact CB-CD2 4.13Å; F259-V313 HydrophobicContact CB-CG2 4.4Å; F259-V313 HydrophobicContact CD1-CG2 4.31Å; F259-V313 HydrophobicContact CD2-CG1 4.04Å; F259-V313 HydrophobicContact CD2-CG2 3.67Å; F259-V313 HydrophobicContact CE2-CB 4.28Å; F259-V313 HydrophobicContact CE2-CG1 3.43Å; F259-V313 VanDerWaalsContact CE2-CG1 3.43Å; F259-V313 HydrophobicContact CE2-CG2 3.89Å; F259-V313 HydrophobicContact CG-CG2 3.88Å; F259-V313 HydrophobicContact CZ-CG1 3.83Å; F259-V313 HydrophobicContact CZ-CG2 4.34Å; F259-W365 HydrophobicContact CE1-CZ2 4.06Å; F259-W365 HydrophobicContact CZ-CZ2 4.34Å; F259-L366 HydrophobicContact CE1-CD2 4.24Å; F259-L366 HydrophobicContact CE2-CD2 4.5Å; F259-L366 HydrophobicContact CZ-CD1 3.83Å; F259-L366 HydrophobicContact CZ-CD2 3.83Å; F259-L366 HydrophobicContact CZ-CG 4.49Å
260C86.9Confident87.2Confident0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-60.2-37.6178-66.80000112.4V256 D257 S264 Y271 L274 Q275V256-C260 PolarHBondContact O-N 2.87Å; V256-C260 VanDerWaalsContact O-N 3.15Å; V256-C260 PolarHBondContact O-SG 2.85Å; D257-C260 WeakPolarHBondContact O-CB 3.31Å; D257-C260 PolarHBondContact O-N 2.82Å; C260-S264 WeakPolarHBondContact O-CB 3.47Å; C260-S264 PolarHBondContact O-N 3.42Å; C260-Y271 HydrophobicContact CB-CD2 3.76Å; C260-Y271 HydrophobicContact CB-CE2 3.45Å; C260-Y271 VanDerWaalsContact CB-CE2 3.45Å; C260-L274 HydrophobicContact CB-CD2 4.42Å; C260-L274 HydrophobicContact CB-CG 4.45Å; C260-Q275 VanDerWaalsContact SG-CA 3.59Å
261Q82.2Confident87.2Confident129 Ų12946.2 Ų46.260%0.60323%0.233SC*.Hα-helixtrans-63.1-55.6174.4-172.8175.80.600111.4D257 F259 W263 S264D257-Q261 PolarHBondContact O-N 2.84Å; F259-Q261 VanDerWaalsContact C-N 3.3Å; F259-Q261 PolarHBondContact O-N 3.17Å; Q261-W263 VanDerWaalsContact C-N 3.34Å; Q261-W263 PolarHBondContact O-N 2.91Å; Q261-S264 PolarHBondContact O-N 3.37Å
262T83.5Confident87.2Confident60 Ų6049.4 Ų49.437%0.36826%0.256SS..Hα-helixtrans-61.4-38.5-177.5-50.70000113.2F259 R266F259-T262 PolarHBondContact O-N 3.25Å; T262-R266 WeakPolarHBondContact O-CG 3.43Å; T262-R266 PolarHBondContact O-N 2.97Å
263W86.4Confident86.9Confident52 Ų5252.6 Ų52.620%0.19728%0.275CS..Hα-helixtrans-86.1-23.4-178.1-72.2115.9000113.9F259 Q261 E265 R266 L267 L274 L312F259-W263 AromaticContact CD1-NE1 3.91Å; F259-W263 WeakPolarHBondContact O-CB 3.15Å; F259-W263 VanDerWaalsContact O-CD1 3.25Å; F259-W263 PolarHBondContact O-N 3.22Å; Q261-W263 VanDerWaalsContact C-N 3.34Å; Q261-W263 PolarHBondContact O-N 2.91Å; W263-E265 VanDerWaalsContact C-N 3.32Å; W263-E265 PolarHBondContact O-N 2.91Å; W263-R266 HydrophobicContact CE3-CB 4.01Å; W263-R266 HydrophobicContact CZ3-CB 4.44Å; W263-R266 PolarHBondContact O-N 2.66Å; W263-L267 HydrophobicContact CB-CD1 4.26Å; W263-L267 HydrophobicContact CE3-CD1 4.33Å; W263-L267 HydrophobicContact CE3-CD2 4.46Å; W263-L267 HydrophobicContact CE3-CG 4.14Å; W263-L267 VanDerWaalsContact O-CB 3.28Å; W263-L267 WeakPolarHBondContact O-CB 3.43Å; W263-L267 WeakPolarHBondContact O-CG 3.41Å; W263-L267 PolarHBondContact O-N 3.03Å; W263-L274 HydrophobicContact CB-CD2 3.77Å; W263-L312 HydrophobicContact CB-CD1 4.47Å; W263-L312 HydrophobicContact CD2-CD1 4.16Å; W263-L312 HydrophobicContact CD2-CD2 4.24Å; W263-L312 HydrophobicContact CE3-CD2 4.22Å; W263-L312 HydrophobicContact CG-CD1 4.08Å; W263-L312 HydrophobicContact CH2-CD2 4.08Å; W263-L312 HydrophobicContact CZ2-CB 4.25Å; W263-L312 HydrophobicContact CZ2-CD2 4.1Å; W263-L312 HydrophobicContact CZ3-CD2 4.15Å
264S87Confident86.6Confident26 Ų2652.6 Ų52.618%0.18228%0.275CS..Hα-helixtrans-60.2-45.1172.8-179.90000110.8C260 Q261 S268 V269 Y271C260-S264 WeakPolarHBondContact O-CB 3.47Å; C260-S264 PolarHBondContact O-N 3.42Å; Q261-S264 PolarHBondContact O-N 3.37Å; S264-S268 WeakPolarHBondContact O-CA 3.29Å; S264-S268 PolarHBondContact O-N 3.43Å; S264-S268 VanDerWaalsContact O-N 3.13Å; S264-V269 WeakPolarHBondContact CA-O 3.36Å; S264-V269 WeakPolarHBondContact CB-O 3.43Å; S264-V269 PolarHBondContact O-N 3.49Å; S264-V269 PolarHBondContact OG-O 2.95Å; S264-Y271 PolarHBondContact OG-N 3.33Å
265E85.2Confident86.2Confident143 Ų14355.4 Ų55.467%0.66829%0.288SS*.Hα-helixtrans-64.5-46.1175-65.5174.9-171.900112.3W263W263-E265 VanDerWaalsContact C-N 3.32Å; W263-E265 PolarHBondContact O-N 2.91Å
266R85.4Confident85.8Confident131 Ų13162.1 Ų62.149%0.49432%0.318SS..Hα-helixtrans-73.1-30.8-175.8-69.7179.4-174-1582.8114.3T262 W263 K339 V340T262-R266 WeakPolarHBondContact O-CG 3.43Å; T262-R266 PolarHBondContact O-N 2.97Å; W263-R266 HydrophobicContact CE3-CB 4.01Å; W263-R266 HydrophobicContact CZ3-CB 4.44Å; W263-R266 PolarHBondContact O-N 2.66Å; R266-K339 PolarHBondContact NH1-O 3.15Å; R266-V340 PolarHBondContact NH2-O 3.33Å; R266-V340 VanDerWaalsContact NH2-O 3.11Å
267L83.1Confident85.7Confident23 Ų2362.2 Ų62.212%0.1232%0.319CS..Hα-helixtrans-100.1-7-176.9-62.7176.1000113.5W263 V269 L284 M294 L312W263-L267 HydrophobicContact CB-CD1 4.26Å; W263-L267 HydrophobicContact CE3-CD1 4.33Å; W263-L267 HydrophobicContact CE3-CD2 4.46Å; W263-L267 HydrophobicContact CE3-CG 4.14Å; W263-L267 VanDerWaalsContact O-CB 3.28Å; W263-L267 WeakPolarHBondContact O-CB 3.43Å; W263-L267 WeakPolarHBondContact O-CG 3.41Å; W263-L267 PolarHBondContact O-N 3.03Å; L267-V269 HydrophobicContact CB-CB 4.41Å; L267-V269 HydrophobicContact CB-CG2 3.97Å; L267-V269 PolarHBondContact O-N 2.76Å; L267-L284 HydrophobicContact CD1-CD1 4.27Å; L267-M294 HydrophobicContact CD2-CG 4.48Å; L267-M294 HydrophobicContact CD2-SD 3.76Å; L267-L312 HydrophobicContact CD1-CD1 3.91Å
268S83.3Confident85.7Confident105 Ų10560.6 Ų60.673%0.73431%0.31SS*.THydrogen-bonded Turntrans5535.7-171.4-58.10000113.3S264S264-S268 WeakPolarHBondContact O-CA 3.29Å; S264-S268 PolarHBondContact O-N 3.43Å; S264-S268 VanDerWaalsContact O-N 3.13Å
269V82.9Confident85.8Confident14 Ų1459.3 Ų59.39%0.08530%0.303CS..  trans-108.1133.2177.71740000108.7S264 L267 Y271 V273 L274 I296S264-V269 WeakPolarHBondContact CA-O 3.36Å; S264-V269 WeakPolarHBondContact CB-O 3.43Å; S264-V269 PolarHBondContact O-N 3.49Å; S264-V269 PolarHBondContact OG-O 2.95Å; L267-V269 HydrophobicContact CB-CB 4.41Å; L267-V269 HydrophobicContact CB-CG2 3.97Å; L267-V269 PolarHBondContact O-N 2.76Å; V269-Y271 PolarHBondContact O-N 3Å; V269-V273 HydrophobicContact CG1-CB 4.47Å; V269-V273 HydrophobicContact CG1-CG1 4.5Å; V269-L274 HydrophobicContact CG1-CB 4.26Å; V269-I296 HydrophobicContact CG1-CD1 3.73Å
270P87Confident85.6Confident77 Ų7759.7 Ų59.750%0.531%0.31SS..  trans-62.8135.9179.924.2-33.3000112.3S272 V273 L274P270-S272 VanDerWaalsContact C-N 3.29Å; P270-S272 PolarHBondContact O-N 2.88Å; P270-S272 VanDerWaalsContact O-N 3.17Å; P270-V273 HydrophobicContact CG-CB 4.11Å; P270-V273 HydrophobicContact CG-CG2 3.79Å; P270-V273 PolarHBondContact O-N 2.91Å; P270-L274 PolarHBondContact O-N 2.91Å; P270-L274 VanDerWaalsContact O-N 3.12Å
271Y87.5Confident85.6Confident92 Ų9262 Ų6236%0.36132%0.322SS..Hα-helixtrans-47.7-45.2-176.7177.5-88.4000113.9C260 S264 V269 V273 L274 Q275C260-Y271 HydrophobicContact CB-CD2 3.76Å; C260-Y271 HydrophobicContact CB-CE2 3.45Å; C260-Y271 VanDerWaalsContact CB-CE2 3.45Å; S264-Y271 PolarHBondContact OG-N 3.33Å; V269-Y271 PolarHBondContact O-N 3Å; Y271-V273 VanDerWaalsContact C-N 3.34Å; Y271-V273 PolarHBondContact O-N 2.87Å; Y271-L274 PolarHBondContact O-N 2.83Å; Y271-L274 VanDerWaalsContact O-N 3.16Å; Y271-Q275 VanDerWaalsContact CE1-OE1 3.3Å; Y271-Q275 PolarHBondContact O-N 2.92Å
272S86.6Confident85.9Confident76 Ų7658.7 Ų58.753%0.53131%0.306SS..Hα-helixtrans-65.2-31.6-178.155.20000114.2P270P270-S272 VanDerWaalsContact C-N 3.29Å; P270-S272 PolarHBondContact O-N 2.88Å; P270-S272 VanDerWaalsContact O-N 3.17Å
273V86.8Confident86.2Confident69 Ų6956.8 Ų56.842%0.41829%0.292SS..Hα-helixtrans-76.8-39.1173.9177.30000109.9V269 P270 Y271 K276 S277 I296V269-V273 HydrophobicContact CG1-CB 4.47Å; V269-V273 HydrophobicContact CG1-CG1 4.5Å; P270-V273 HydrophobicContact CG-CB 4.11Å; P270-V273 HydrophobicContact CG-CG2 3.79Å; P270-V273 PolarHBondContact O-N 2.91Å; Y271-V273 VanDerWaalsContact C-N 3.34Å; Y271-V273 PolarHBondContact O-N 2.87Å; V273-K276 PolarHBondContact O-N 3.13Å; V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 3.1Å; V273-S277 PolarHBondContact O-OG 3.34Å; V273-I296 HydrophobicContact CG1-CD1 3.99Å
274L86.6Confident86.2Confident0 Ų055.2 Ų55.20%029%0.288CS..Hα-helixtrans-67-40.6178.9-169.658.5000111.9C260 W263 V269 P270 Y271 K276 S277 L278C260-L274 HydrophobicContact CB-CD2 4.42Å; C260-L274 HydrophobicContact CB-CG 4.45Å; W263-L274 HydrophobicContact CB-CD2 3.77Å; V269-L274 HydrophobicContact CG1-CB 4.26Å; P270-L274 PolarHBondContact O-N 2.91Å; P270-L274 VanDerWaalsContact O-N 3.12Å; Y271-L274 PolarHBondContact O-N 2.83Å; Y271-L274 VanDerWaalsContact O-N 3.16Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.85Å; L274-S277 PolarHBondContact O-N 3.04Å; L274-S277 VanDerWaalsContact O-N 3.12Å; L274-L278 HydrophobicContact CD1-CD1 4Å; L274-L278 HydrophobicContact CG-CD1 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.41Å; L274-L278 PolarHBondContact O-N 3.42Å
275Q86.2Confident86Confident59 Ų5956.2 Ų56.228%0.27629%0.292SS..Hα-helixtrans-58.1-41.8176.1-173.7178.1-3.300112.6E239 C260 Y271 S277E239-Q275 PolarHBondContact O-NE2 3.03Å; C260-Q275 VanDerWaalsContact SG-CA 3.59Å; Y271-Q275 VanDerWaalsContact CE1-OE1 3.3Å; Y271-Q275 PolarHBondContact O-N 2.92Å; Q275-S277 VanDerWaalsContact C-N 3.31Å; Q275-S277 PolarHBondContact O-N 3.36Å
276K84.5Confident85.7Confident150 Ų15052.6 Ų52.665%0.65228%0.283SS*.Hα-helixtrans-79.6-5.2178.1-66.8-172.3177.1-168.40114.8V273 L274 F282V273-K276 PolarHBondContact O-N 3.13Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.85Å; K276-F282 WeakPolarHBondContact O-CE2 3.37Å
277S86.9Confident85.2Confident4 Ų447.1 Ų47.13%0.02827%0.265CS..Hα-helixtrans-130.4-8.1-174.561.40000115.3V273 L274 Q275 W279 F282 I296V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 3.1Å; V273-S277 PolarHBondContact O-OG 3.34Å; L274-S277 PolarHBondContact O-N 3.04Å; L274-S277 VanDerWaalsContact O-N 3.12Å; Q275-S277 VanDerWaalsContact C-N 3.31Å; Q275-S277 PolarHBondContact O-N 3.36Å; S277-W279 CarbonylContact C-O 3.57Å; S277-F282 WeakPolarHBondContact O-CD2 3.29Å; S277-I296 WeakPolarHBondContact OG-CD1 3.29Å
278L87.7Confident84.4Confident0 Ų051.7 Ų51.70%030%0.296CS..Hα-helixtrans-64.1-46.7173.2-159.187.9000109.7V256 F259 L274 I308 F309 L312 V313V256-L278 HydrophobicContact CB-CD2 4.31Å; V256-L278 HydrophobicContact CG1-CB 4.07Å; V256-L278 HydrophobicContact CG1-CD2 3.79Å; V256-L278 HydrophobicContact CG2-CD2 4.33Å; F259-L278 HydrophobicContact CB-CD2 4.13Å; L274-L278 HydrophobicContact CD1-CD1 4Å; L274-L278 HydrophobicContact CG-CD1 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.41Å; L274-L278 PolarHBondContact O-N 3.42Å; L278-I308 HydrophobicContact CD1-CG2 3.94Å; L278-F309 HydrophobicContact CD2-CD2 4.31Å; L278-F309 VanDerWaalsContact O-CB 3.31Å; L278-F309 WeakPolarHBondContact O-CB 3.29Å; L278-F309 PolarHBondContact O-N 2.79Å; L278-F309 VanDerWaalsContact O-N 3.12Å; L278-L312 HydrophobicContact CD1-CD1 4.03Å; L278-V313 HydrophobicContact CD2-CG2 4.28Å
279W88Confident83.6Confident25 Ų2552.1 Ų52.110%0.09529%0.294CS..SBendtrans-87.6155.4171.9-164.6-102000110.9Y170 C174 I177 P238 E239 F245 S277 F282 F309Y170-W279 HydrophobicContact CD2-CH2 4.08Å; Y170-W279 HydrophobicContact CD2-CZ3 4.1Å; Y170-W279 HydrophobicContact CE2-CD2 4.25Å; Y170-W279 AromaticContact CE2-CE3 3.95Å; Y170-W279 HydrophobicContact CE2-CE3 3.95Å; Y170-W279 AromaticContact CE2-CH2 3.71Å; Y170-W279 HydrophobicContact CE2-CH2 3.71Å; Y170-W279 HydrophobicContact CE2-CZ2 4.02Å; Y170-W279 AromaticContact CE2-CZ3 3.68Å; Y170-W279 HydrophobicContact CE2-CZ3 3.68Å; C174-W279 VanDerWaalsContact SG-CZ2 3.58Å; I177-W279 HydrophobicContact CD1-CH2 4.08Å; I177-W279 HydrophobicContact CD1-CZ2 3.74Å; P238-W279 HydrophobicContact CB-CB 4.5Å; P238-W279 HydrophobicContact CB-CD2 3.82Å; P238-W279 HydrophobicContact CB-CE3 4.04Å; P238-W279 HydrophobicContact CB-CG 4Å; P238-W279 HydrophobicContact CG-CD2 3.74Å; P238-W279 HydrophobicContact CG-CE3 4.1Å; P238-W279 HydrophobicContact CG-CG 4.2Å; P238-W279 HydrophobicContact CG-CH2 4.29Å; P238-W279 HydrophobicContact CG-CZ2 3.93Å; P238-W279 HydrophobicContact CG-CZ3 4.35Å; E239-W279 HydrophobicContact CG-CB 3.98Å; F245-W279 AromaticContact CE1-CH2 3.89Å; F245-W279 HydrophobicContact CE1-CH2 3.89Å; F245-W279 AromaticContact CE1-CZ3 3.91Å; F245-W279 HydrophobicContact CE1-CZ3 3.91Å; F245-W279 HydrophobicContact CE2-CZ3 4.09Å; F245-W279 HydrophobicContact CZ-CE3 4.1Å; F245-W279 AromaticContact CZ-CH2 3.55Å; F245-W279 HydrophobicContact CZ-CH2 3.55Å; F245-W279 HydrophobicContact CZ-CZ2 4.45Å; F245-W279 AromaticContact CZ-CZ3 3.33Å; F245-W279 HydrophobicContact CZ-CZ3 3.33Å; S277-W279 CarbonylContact C-O 3.57Å; W279-F282 WeakPolarHBondContact O-CD2 3.16Å; W279-F309 HydrophobicContact CE3-CD1 4.36Å; W279-F309 AromaticContact CE3-CD2 3.97Å; W279-F309 HydrophobicContact CE3-CD2 3.97Å; W279-F309 HydrophobicContact CE3-CE1 4.41Å; W279-F309 HydrophobicContact CE3-CE2 4.05Å; W279-F309 HydrophobicContact CE3-CG 4.12Å; W279-F309 HydrophobicContact CE3-CZ 4.26Å; W279-F309 AromaticContact CZ3-CD1 3.95Å; W279-F309 HydrophobicContact CZ3-CD1 3.95Å; W279-F309 HydrophobicContact CZ3-CD2 4.22Å; W279-F309 AromaticContact CZ3-CE1 3.71Å; W279-F309 HydrophobicContact CZ3-CE1 3.71Å; W279-F309 HydrophobicContact CZ3-CE2 4.01Å; W279-F309 HydrophobicContact CZ3-CG 4.18Å; W279-F309 AromaticContact CZ3-CZ 3.74Å; W279-F309 HydrophobicContact CZ3-CZ 3.74Å
280G84.6Confident82.7Confident19 Ų1956.1 Ų56.120%0.19631%0.312CS..SBendtrans89.3-162.3-178.700000114.8Y170 F282Y170-G280 VanDerWaalsContact OH-CA 3.3Å; Y170-G280 WeakPolarHBondContact OH-CA 3.36Å; Y170-G280 PolarHBondContact OH-N 2.94Å; Y170-G280 PolarHBondContact OH-O 3.35Å; G280-F282 PolarHBondContact O-N 3.16Å
281D85.6Confident81.3Confident48 Ų4857.7 Ų57.726%0.25733%0.325SS..SBendtrans-98.341.1-163.8-113.244000113.8N299 A300 R301D281-N299 PolarHBondContact O-N 2.84Å; D281-A300 WeakPolarHBondContact O-CB 3.49Å; D281-A300 PolarHBondContact O-N 2.85Å; D281-R301 VanDerWaalsContact CG-NE 3.31Å; D281-R301 IonicContact OD1-CZ 2.7Å; D281-R301 IonicContact OD1-NE 3.59Å; D281-R301 PolarHBondContact OD1-NE 3.06Å; D281-R301 IonicContact OD1-NH2 3.55Å; D281-R301 PolarHBondContact OD1-NH2 3.03Å; D281-R301 VanDerWaalsContact OD1-NH2 3.13Å; D281-R301 WeakPolarHBondContact OD2-CB 3.34Å; D281-R301 WeakPolarHBondContact OD2-CD 3.41Å; D281-R301 WeakPolarHBondContact OD2-CG 3.39Å; D281-R301 IonicContact OD2-NE 2.8Å; D281-R301 PolarHBondContact OD2-NE 3.18Å
282F89.7Confident80.3Confident60 Ų6061 Ų6126%0.26335%0.349SS..EExtended strand (participates in β ladder)trans-96.2155.8178.4-58.8-83000112.1K276 S277 W279 G280 I296 K297 P298 S307 I308K276-F282 WeakPolarHBondContact O-CE2 3.37Å; S277-F282 WeakPolarHBondContact O-CD2 3.29Å; W279-F282 WeakPolarHBondContact O-CD2 3.16Å; G280-F282 PolarHBondContact O-N 3.16Å; F282-I296 HydrophobicContact CB-CG2 4.06Å; F282-I296 HydrophobicContact CD1-CG2 3.94Å; F282-I296 HydrophobicContact CG-CG2 4.27Å; F282-K297 WeakPolarHBondContact CA-O 3.3Å; F282-P298 HydrophobicContact CD1-CB 4.12Å; F282-P298 HydrophobicContact CE1-CB 4.08Å; F282-S307 CarbonylContact O-C 3.48Å; F282-S307 WeakPolarHBondContact O-CA 3.46Å; F282-I308 HydrophobicContact CB-CD1 3.76Å; F282-I308 HydrophobicContact CB-CG1 3.95Å; F282-I308 WeakPolarHBondContact O-CG1 3.03Å; F282-I308 PolarHBondContact O-N 3.3Å
283Y88.9Confident79.6Confident20 Ų2062.1 Ų62.18%0.07834%0.344CS..EExtended strand (participates in β ladder)trans-137.6150.317170.7-81.6000111.7K297 P298 A300 K303 K305Y283-K297 HydrophobicContact CD1-CB 4.24Å; Y283-K297 WeakPolarHBondContact CD1-O 3.11Å; Y283-K297 HydrophobicContact CE1-CB 3.59Å; Y283-K297 HydrophobicContact CE2-CB 4.18Å; Y283-K297 PolarHBondContact N-O 3.37Å; Y283-K297 PolarHBondContact O-N 2.84Å; Y283-P298 WeakPolarHBondContact CE1-O 3.44Å; Y283-A300 HydrophobicContact CD1-CB 4.21Å; Y283-K303 HydrophobicContact CE1-CD 3.75Å; Y283-K303 VanDerWaalsContact OH-CD 3.31Å; Y283-K303 WeakPolarHBondContact OH-CD 3.4Å; Y283-K303 PolarHBondContact OH-NZ 2.93Å; Y283-K303 VanDerWaalsContact OH-NZ 3.11Å; Y283-K305 HydrophobicContact CD1-CB 4.41Å; Y283-K305 HydrophobicContact CD2-CB 4.08Å; Y283-K305 HydrophobicContact CD2-CG 3.91Å; Y283-K305 HydrophobicContact CE2-CG 4.23Å; Y283-K305 HydrophobicContact CG-CB 3.85Å; Y283-K305 HydrophobicContact CG-CG 4.14Å
284L85.8Confident79.1Confident19 Ų1962.9 Ų62.910%0.09934%0.344CS..EExtended strand (participates in β ladder)trans-82141.2172.6-67.5170.3000111.1L267 M294 I296 I308 L312L267-L284 HydrophobicContact CD1-CD1 4.27Å; L284-M294 HydrophobicContact CB-SD 4.25Å; L284-M294 HydrophobicContact CD1-SD 4.01Å; L284-M294 HydrophobicContact CD2-CB 4.36Å; L284-M294 HydrophobicContact CD2-SD 4.47Å; L284-M294 HydrophobicContact CG-SD 4.48Å; L284-I296 HydrophobicContact CD2-CG1 3.79Å; L284-I308 HydrophobicContact CD1-CG2 4.41Å; L284-I308 HydrophobicContact CD2-CD1 3.95Å; L284-I308 HydrophobicContact CG-CD1 3.98Å; L284-I308 HydrophobicContact CG-CG1 4.09Å; L284-I308 HydrophobicContact CG-CG2 4.43Å; L284-L312 HydrophobicContact CD1-CD1 4.15Å; L284-L312 HydrophobicContact CD1-CD2 3.98Å; L284-L312 HydrophobicContact CD1-CG 4.17Å
285T82.9Confident78.8Confident46 Ų4665.3 Ų65.328%0.28236%0.359SS..EExtended strand (participates in β ladder)trans-141.2153.1171.7-157.50000110V295 K297T285-V295 HydrophobicContact CG2-CB 4.3Å; T285-V295 PolarHBondContact N-O 2.87Å; T285-V295 PolarHBondContact O-N 2.81Å; T285-K297 HydrophobicContact CG2-CD 3.7Å; T285-K297 HydrophobicContact CG2-CG 4.12Å
286S79.3Confident78.7Confident67 Ų6764.2 Ų64.247%0.46935%0.354SS..EExtended strand (participates in β ladder)trans-68.7142.4172.4-167.60000110.1
287S74.7Confident78.8Confident16 Ų1660.8 Ų60.811%0.11234%0.339CS..  trans-62136.3171.2-174.30000109.8T289 K293S287-T289 PolarHBondContact O-N 2.85Å; S287-T289 PolarHBondContact OG-N 3.34Å; S287-T289 PolarHBondContact OG-OG1 3.46Å; S287-K293 VanDerWaalsContact CB-O 3.25Å; S287-K293 WeakPolarHBondContact CB-O 3.46Å; S287-K293 PolarHBondContact N-O 3.05Å
288P66.7Low78.7Confident120 Ų12064 Ų6478%0.77936%0.36SS*.SBendtrans-68.4-14.5172.629.3-34.8000113.2
289T67Low78.6Confident114 Ų11467.7 Ų67.770%0.69938%0.38SS*.SBendtrans-102.4-24.1-176.759.10000114.6S287S287-T289 PolarHBondContact O-N 2.85Å; S287-T289 PolarHBondContact OG-N 3.34Å; S287-T289 PolarHBondContact OG-OG1 3.46Å
290E64.3Low78.3Confident97 Ų9766.5 Ų66.545%0.45338%0.376SS..  trans-141.3112.7-170.6-74.6172-137.600109.5N292 K293E290-N292 PolarHBondContact O-N 3.42Å; E290-N292 VanDerWaalsContact O-N 3.08Å; E290-K293 HydrophobicContact CB-CB 3.83Å; E290-K293 PolarHBondContact O-N 3.11Å; E290-K293 VanDerWaalsContact O-N 3.13Å; E290-K293 IonicContact OE1-NZ 2.64Å; E290-K293 WeakPolarHBondContact OE2-CD 3.49Å; E290-K293 IonicContact OE2-NZ 2.72Å
291S57.6Low78.1Confident110 Ų11072.4 Ų72.477%0.76939%0.392SS*.THydrogen-bonded Turntrans-63.5-17.9-170.148.80000115.7
292N66.2Low78Confident162 Ų16277.3 Ų77.387%0.86641%0.413SS*.THydrogen-bonded Turntrans-107.4-1.2178.8-83.6-3.9000114.3E290E290-N292 PolarHBondContact O-N 3.42Å; E290-N292 VanDerWaalsContact O-N 3.08Å
293K71.7Confident77.7Confident100 Ų10079.1 Ų79.144%0.43542%0.421SS..  trans-99.4118.6-175.8-171.6162.7177.5176.30110.9S287 E290S287-K293 VanDerWaalsContact CB-O 3.25Å; S287-K293 WeakPolarHBondContact CB-O 3.46Å; S287-K293 PolarHBondContact N-O 3.05Å; E290-K293 HydrophobicContact CB-CB 3.83Å; E290-K293 PolarHBondContact O-N 3.11Å; E290-K293 VanDerWaalsContact O-N 3.13Å; E290-K293 IonicContact OE1-NZ 2.64Å; E290-K293 WeakPolarHBondContact OE2-CD 3.49Å; E290-K293 IonicContact OE2-NZ 2.72Å
294M76.1Confident77.4Confident85 Ų8587 Ų8742%0.41946%0.459SS..EExtended strand (participates in β ladder)trans-82.3139.9173.4-68.9-157.5168.400111.3L267 L284L267-M294 HydrophobicContact CD2-CG 4.48Å; L267-M294 HydrophobicContact CD2-SD 3.76Å; L284-M294 HydrophobicContact CB-SD 4.25Å; L284-M294 HydrophobicContact CD1-SD 4.01Å; L284-M294 HydrophobicContact CD2-CB 4.36Å; L284-M294 HydrophobicContact CD2-SD 4.47Å; L284-M294 HydrophobicContact CG-SD 4.48Å
295V81.3Confident77.3Confident51 Ų5191.9 Ų91.931%0.30948%0.479SS..EExtended strand (participates in β ladder)trans-121.2133.3177.1-179.20000108.5T285T285-V295 HydrophobicContact CG2-CB 4.3Å; T285-V295 PolarHBondContact N-O 2.87Å; T285-V295 PolarHBondContact O-N 2.81Å
296I83.7Confident77.5Confident35 Ų3594.6 Ų94.618%0.17949%0.487CS..EExtended strand (participates in β ladder)trans-84.2133.8175.5-66.8154.8000108.8V269 V273 S277 F282 L284 I308V269-I296 HydrophobicContact CG1-CD1 3.73Å; V273-I296 HydrophobicContact CG1-CD1 3.99Å; S277-I296 WeakPolarHBondContact OG-CD1 3.29Å; F282-I296 HydrophobicContact CB-CG2 4.06Å; F282-I296 HydrophobicContact CD1-CG2 3.94Å; F282-I296 HydrophobicContact CG-CG2 4.27Å; L284-I296 HydrophobicContact CD2-CG1 3.79Å; I296-I308 HydrophobicContact CB-CD1 4.37Å; I296-I308 HydrophobicContact CG1-CD1 3.79Å; I296-I308 HydrophobicContact CG2-CD1 3.89Å
297K85.7Confident78Confident78 Ų7891.9 Ų91.934%0.33947%0.468SS..EExtended strand (participates in β ladder)trans-130.8142.8173.8-70.2-176.6-176.8171.40110.8F282 Y283 T285F282-K297 WeakPolarHBondContact CA-O 3.3Å; Y283-K297 HydrophobicContact CD1-CB 4.24Å; Y283-K297 WeakPolarHBondContact CD1-O 3.11Å; Y283-K297 HydrophobicContact CE1-CB 3.59Å; Y283-K297 HydrophobicContact CE2-CB 4.18Å; Y283-K297 PolarHBondContact N-O 3.37Å; Y283-K297 PolarHBondContact O-N 2.84Å; T285-K297 HydrophobicContact CG2-CD 3.7Å; T285-K297 HydrophobicContact CG2-CG 4.12Å
298P85.5Confident78.8Confident71 Ų7191.1 Ų91.146%0.46146%0.463SS..EExtended strand (participates in β ladder)trans-77.9169.4175.333.3-36.4000112.4F282 Y283F282-P298 HydrophobicContact CD1-CB 4.12Å; F282-P298 HydrophobicContact CE1-CB 4.08Å; Y283-P298 WeakPolarHBondContact CE1-O 3.44Å
299N85.3Confident80Confident78 Ų7885.4 Ų85.442%0.41743%0.426SS..  trans7054.4177.9-54.37.5000113.5D281 Q302 K303D281-N299 PolarHBondContact O-N 2.84Å; N299-Q302 HydrophobicContact CB-CB 3.98Å; N299-Q302 PolarHBondContact ND2-OE1 3.41Å; N299-K303 PolarHBondContact O-N 2.91Å
300A82.6Confident81.2Confident1 Ų180 Ų801%0.00839%0.393CS..THydrogen-bonded Turntrans-57.9-52.1175.400000112.4D281 Y283 Q302 K303 Q304 K305D281-A300 WeakPolarHBondContact O-CB 3.49Å; D281-A300 PolarHBondContact O-N 2.85Å; Y283-A300 HydrophobicContact CD1-CB 4.21Å; A300-Q302 PolarHBondContact O-N 3.37Å; A300-K303 CarbonylContact O-C 3.5Å; A300-K303 PolarHBondContact O-N 3.24Å; A300-Q304 PolarHBondContact O-N 3.36Å; A300-K305 CarbonylContact C-O 3.57Å; A300-K305 PolarHBondContact O-N 3.2Å
301R79.3Confident82.4Confident143 Ų14378.3 Ų78.354%0.5438%0.384SS..G310 helixtrans-58.7-47.9179.9-69.6178.1-149.5-167.78.1112.2D281 K303 Q304D281-R301 VanDerWaalsContact CG-NE 3.31Å; D281-R301 IonicContact OD1-CZ 2.7Å; D281-R301 IonicContact OD1-NE 3.59Å; D281-R301 PolarHBondContact OD1-NE 3.06Å; D281-R301 IonicContact OD1-NH2 3.55Å; D281-R301 PolarHBondContact OD1-NH2 3.03Å; D281-R301 VanDerWaalsContact OD1-NH2 3.13Å; D281-R301 WeakPolarHBondContact OD2-CB 3.34Å; D281-R301 WeakPolarHBondContact OD2-CD 3.41Å; D281-R301 WeakPolarHBondContact OD2-CG 3.39Å; D281-R301 IonicContact OD2-NE 2.8Å; D281-R301 PolarHBondContact OD2-NE 3.18Å; R301-K303 PolarHBondContact O-N 3.11Å; R301-K303 VanDerWaalsContact O-N 3.14Å; R301-Q304 PolarHBondContact O-N 3.09Å
302Q84.2Confident83.9Confident150 Ų15073.8 Ų73.870%0.70135%0.352SS*.G310 helixtrans-57.5-30.9179.7-165-175.322.600112.8N299 A300N299-Q302 HydrophobicContact CB-CB 3.98Å; N299-Q302 PolarHBondContact ND2-OE1 3.41Å; A300-Q302 PolarHBondContact O-N 3.37Å
303K83.4Confident85.1Confident98 Ų9866.1 Ų66.143%0.42631%0.31SS..G310 helixtrans-100.810.9-179.6-62.3177.3-170.3163.10113.4Y283 N299 A300 R301 K305Y283-K303 HydrophobicContact CE1-CD 3.75Å; Y283-K303 VanDerWaalsContact OH-CD 3.31Å; Y283-K303 WeakPolarHBondContact OH-CD 3.4Å; Y283-K303 PolarHBondContact OH-NZ 2.93Å; Y283-K303 VanDerWaalsContact OH-NZ 3.11Å; N299-K303 PolarHBondContact O-N 2.91Å; A300-K303 CarbonylContact O-C 3.5Å; A300-K303 PolarHBondContact O-N 3.24Å; R301-K303 PolarHBondContact O-N 3.11Å; R301-K303 VanDerWaalsContact O-N 3.14Å; K303-K305 HydrophobicContact CB-CG 4.18Å; K303-K305 PolarHBondContact O-N 2.72Å; K303-K305 VanDerWaalsContact O-N 3.16Å
304Q81.2Confident86.1Confident187 Ų18761.4 Ų61.487%0.87429%0.29SS*.THydrogen-bonded Turntrans4938.1-175-60.8-177.9-11.200112.7A300 R301A300-Q304 PolarHBondContact O-N 3.36Å; R301-Q304 PolarHBondContact O-N 3.09Å
305K85.7Confident86.9Confident121 Ų12159.9 Ų59.953%0.52628%0.282SS..PPolyproline II helixtrans-100.4143.9173.1-63-56.8-178.2-175.60109.5Y283 A300 K303Y283-K305 HydrophobicContact CD1-CB 4.41Å; Y283-K305 HydrophobicContact CD2-CB 4.08Å; Y283-K305 HydrophobicContact CD2-CG 3.91Å; Y283-K305 HydrophobicContact CE2-CG 4.23Å; Y283-K305 HydrophobicContact CG-CB 3.85Å; Y283-K305 HydrophobicContact CG-CG 4.14Å; A300-K305 CarbonylContact C-O 3.57Å; A300-K305 PolarHBondContact O-N 3.2Å; K303-K305 HydrophobicContact CB-CG 4.18Å; K303-K305 PolarHBondContact O-N 2.72Å; K303-K305 VanDerWaalsContact O-N 3.16Å
306K86.3Confident87.3Confident103 Ų10359.3 Ų59.345%0.44828%0.28SS..PPolyproline II helixtrans-64.7142.7172.5-57.9-178.7-177.9175.70109.5V310 Q311 E315K306-V310 HydrophobicContact CB-CG1 4.2Å; K306-V310 HydrophobicContact CD-CG1 4.35Å; K306-Q311 HydrophobicContact CB-CG 3.79Å; K306-Q311 PolarHBondContact O-NE2 2.93Å; K306-E315 WeakPolarHBondContact CD-OE1 3.48Å; K306-E315 WeakPolarHBondContact CE-OE1 3.36Å; K306-E315 IonicContact NZ-OE1 3.25Å; K306-E315 PolarHBondContact NZ-OE1 3.06Å
307S89.6Confident87.7Confident9 Ų957.7 Ų57.76%0.06327%0.271CS..PPolyproline II helixtrans-67.1159.2176.9600000112Y170 F282 F309 V310 Q311Y170-S307 WeakPolarHBondContact CE1-OG 3.32Å; F282-S307 CarbonylContact O-C 3.48Å; F282-S307 WeakPolarHBondContact O-CA 3.46Å; S307-F309 VanDerWaalsContact C-N 3.32Å; S307-F309 PolarHBondContact O-N 2.91Å; S307-V310 PolarHBondContact O-N 2.83Å; S307-V310 WeakPolarHBondContact OG-CG2 3.47Å; S307-V310 PolarHBondContact OG-N 2.97Å; S307-Q311 WeakPolarHBondContact O-CG 3.12Å; S307-Q311 PolarHBondContact O-N 2.83Å
308I90.7Very high88.1Confident1 Ų154.4 Ų54.41%0.00526%0.257CS..Hα-helixtrans-57.8-45.3178.1-58.3-167.1000111L278 F282 L284 I296 V310 Q311 L312L278-I308 HydrophobicContact CD1-CG2 3.94Å; F282-I308 HydrophobicContact CB-CD1 3.76Å; F282-I308 HydrophobicContact CB-CG1 3.95Å; F282-I308 WeakPolarHBondContact O-CG1 3.03Å; F282-I308 PolarHBondContact O-N 3.3Å; L284-I308 HydrophobicContact CD1-CG2 4.41Å; L284-I308 HydrophobicContact CD2-CD1 3.95Å; L284-I308 HydrophobicContact CG-CD1 3.98Å; L284-I308 HydrophobicContact CG-CG1 4.09Å; L284-I308 HydrophobicContact CG-CG2 4.43Å; I296-I308 HydrophobicContact CB-CD1 4.37Å; I296-I308 HydrophobicContact CG1-CD1 3.79Å; I296-I308 HydrophobicContact CG2-CD1 3.89Å; I308-V310 VanDerWaalsContact C-N 3.33Å; I308-V310 PolarHBondContact O-N 3.2Å; I308-Q311 PolarHBondContact O-N 2.88Å; I308-L312 HydrophobicContact CG2-CD1 3.58Å; I308-L312 HydrophobicContact CG2-CG 4.02Å; I308-L312 WeakPolarHBondContact O-CB 3.2Å; I308-L312 PolarHBondContact O-N 3.24Å
309F92.1Very high88.4Confident0 Ų054.7 Ų54.70%025%0.254CS..Hα-helixtrans-52.9-47.3174.5-167.2-109.4000113Y170 M173 F245 F254 V256 L278 W279 S307 V313 L314Y170-F309 HydrophobicContact CD2-CB 4.41Å; Y170-F309 AromaticContact CD2-CD1 3.48Å; Y170-F309 HydrophobicContact CD2-CD1 3.48Å; Y170-F309 VanDerWaalsContact CD2-CD1 3.48Å; Y170-F309 HydrophobicContact CD2-CE1 4.12Å; Y170-F309 HydrophobicContact CD2-CG 4.28Å; Y170-F309 HydrophobicContact CE2-CB 4.14Å; Y170-F309 AromaticContact CE2-CD1 3.86Å; Y170-F309 HydrophobicContact CE2-CD1 3.86Å; Y170-F309 HydrophobicContact CE2-CG 4.23Å; Y170-F309 HydrophobicContact CG-CD1 4.39Å; M173-F309 HydrophobicContact CE-CE1 3.97Å; F245-F309 HydrophobicContact CE2-CZ 4.4Å; F245-F309 HydrophobicContact CZ-CZ 4.45Å; F254-F309 AromaticContact CE2-CE2 3.87Å; F254-F309 HydrophobicContact CE2-CE2 3.87Å; F254-F309 AromaticContact CE2-CZ 3.77Å; F254-F309 HydrophobicContact CE2-CZ 3.77Å; F254-F309 HydrophobicContact CZ-CE2 4.29Å; F254-F309 AromaticContact CZ-CZ 3.81Å; F254-F309 HydrophobicContact CZ-CZ 3.81Å; V256-F309 HydrophobicContact CG2-CE2 4.42Å; L278-F309 HydrophobicContact CD2-CD2 4.31Å; L278-F309 VanDerWaalsContact O-CB 3.31Å; L278-F309 WeakPolarHBondContact O-CB 3.29Å; L278-F309 PolarHBondContact O-N 2.79Å; L278-F309 VanDerWaalsContact O-N 3.12Å; W279-F309 HydrophobicContact CE3-CD1 4.36Å; W279-F309 AromaticContact CE3-CD2 3.97Å; W279-F309 HydrophobicContact CE3-CD2 3.97Å; W279-F309 HydrophobicContact CE3-CE1 4.41Å; W279-F309 HydrophobicContact CE3-CE2 4.05Å; W279-F309 HydrophobicContact CE3-CG 4.12Å; W279-F309 HydrophobicContact CE3-CZ 4.26Å; W279-F309 AromaticContact CZ3-CD1 3.95Å; W279-F309 HydrophobicContact CZ3-CD1 3.95Å; W279-F309 HydrophobicContact CZ3-CD2 4.22Å; W279-F309 AromaticContact CZ3-CE1 3.71Å; W279-F309 HydrophobicContact CZ3-CE1 3.71Å; W279-F309 HydrophobicContact CZ3-CE2 4.01Å; W279-F309 HydrophobicContact CZ3-CG 4.18Å; W279-F309 AromaticContact CZ3-CZ 3.74Å; W279-F309 HydrophobicContact CZ3-CZ 3.74Å; S307-F309 VanDerWaalsContact C-N 3.32Å; S307-F309 PolarHBondContact O-N 2.91Å; F309-V313 HydrophobicContact CD2-CB 4.29Å; F309-V313 HydrophobicContact CD2-CG2 4.18Å; F309-V313 HydrophobicContact CE2-CB 4.24Å; F309-V313 HydrophobicContact CE2-CG1 4.19Å; F309-V313 HydrophobicContact CE2-CG2 4.29Å; F309-V313 HydrophobicContact CZ-CG1 4.34Å; F309-V313 WeakPolarHBondContact O-CB 3.36Å; F309-V313 PolarHBondContact O-N 2.6Å; F309-L314 HydrophobicContact CD1-CD1 3.77Å; F309-L314 HydrophobicContact CD1-CD2 4.34Å; F309-L314 HydrophobicContact CD1-CG 3.81Å; F309-L314 HydrophobicContact CE1-CD1 3.76Å; F309-L314 HydrophobicContact CE1-CD2 3.67Å; F309-L314 HydrophobicContact CE1-CG 3.67Å; F309-L314 HydrophobicContact CZ-CD2 4.24Å; F309-L314 PolarHBondContact O-N 2.96Å
310V92.8Very high88.7Confident1 Ų151 Ų511%0.00624%0.235CC..Iπ-helixtrans-63.1-45.8179.4170.30000110.9P166 Y170 K306 S307 I308 L314 E315P166-V310 HydrophobicContact CB-CG1 3.83Å; Y170-V310 HydrophobicContact CD1-CG2 4.07Å; Y170-V310 HydrophobicContact CG-CG2 3.89Å; K306-V310 HydrophobicContact CB-CG1 4.2Å; K306-V310 HydrophobicContact CD-CG1 4.35Å; S307-V310 PolarHBondContact O-N 2.83Å; S307-V310 WeakPolarHBondContact OG-CG2 3.47Å; S307-V310 PolarHBondContact OG-N 2.97Å; I308-V310 VanDerWaalsContact C-N 3.33Å; I308-V310 PolarHBondContact O-N 3.2Å; V310-L314 HydrophobicContact CG2-CD1 4.14Å; V310-E315 WeakPolarHBondContact O-CB 3.42Å; V310-E315 WeakPolarHBondContact O-CG 3.28Å; V310-E315 PolarHBondContact O-N 3.26Å
311Q89.9Confident89.1Confident60 Ų6051 Ų5128%0.2824%0.235SC..Iπ-helixtrans-68.2-43.6-177.9-66.1-178.534.800113.2K306 S307 I308K306-Q311 HydrophobicContact CB-CG 3.79Å; K306-Q311 PolarHBondContact O-NE2 2.93Å; S307-Q311 WeakPolarHBondContact O-CG 3.12Å; S307-Q311 PolarHBondContact O-N 2.83Å; I308-Q311 PolarHBondContact O-N 2.88Å
312L88.3Confident89.6Confident16 Ų1648.8 Ų48.88%0.08423%0.23CC..Iπ-helixtrans-93.4-25.2-170.7-63.3-172.5000114.5W263 L267 L278 L284 I308W263-L312 HydrophobicContact CB-CD1 4.47Å; W263-L312 HydrophobicContact CD2-CD1 4.16Å; W263-L312 HydrophobicContact CD2-CD2 4.24Å; W263-L312 HydrophobicContact CE3-CD2 4.22Å; W263-L312 HydrophobicContact CG-CD1 4.08Å; W263-L312 HydrophobicContact CH2-CD2 4.08Å; W263-L312 HydrophobicContact CZ2-CB 4.25Å; W263-L312 HydrophobicContact CZ2-CD2 4.1Å; W263-L312 HydrophobicContact CZ3-CD2 4.15Å; L267-L312 HydrophobicContact CD1-CD1 3.91Å; L278-L312 HydrophobicContact CD1-CD1 4.03Å; L284-L312 HydrophobicContact CD1-CD1 4.15Å; L284-L312 HydrophobicContact CD1-CD2 3.98Å; L284-L312 HydrophobicContact CD1-CG 4.17Å; I308-L312 HydrophobicContact CG2-CD1 3.58Å; I308-L312 HydrophobicContact CG2-CG 4.02Å; I308-L312 WeakPolarHBondContact O-CB 3.2Å; I308-L312 PolarHBondContact O-N 3.24Å
313V91.3Very high89.8Confident0 Ų042.5 Ų42.50%020%0.202CC..Iπ-helixtrans-117-57.9-172.5-178.50000111.6F254 F259 L278 F309 P316 L317F254-V313 HydrophobicContact CE1-CG1 3.87Å; F254-V313 HydrophobicContact CE2-CG1 3.83Å; F254-V313 HydrophobicContact CZ-CG1 3.46Å; F254-V313 VanDerWaalsContact CZ-CG1 3.46Å; F259-V313 HydrophobicContact CB-CG2 4.4Å; F259-V313 HydrophobicContact CD1-CG2 4.31Å; F259-V313 HydrophobicContact CD2-CG1 4.04Å; F259-V313 HydrophobicContact CD2-CG2 3.67Å; F259-V313 HydrophobicContact CE2-CB 4.28Å; F259-V313 HydrophobicContact CE2-CG1 3.43Å; F259-V313 VanDerWaalsContact CE2-CG1 3.43Å; F259-V313 HydrophobicContact CE2-CG2 3.89Å; F259-V313 HydrophobicContact CG-CG2 3.88Å; F259-V313 HydrophobicContact CZ-CG1 3.83Å; F259-V313 HydrophobicContact CZ-CG2 4.34Å; L278-V313 HydrophobicContact CD2-CG2 4.28Å; F309-V313 HydrophobicContact CD2-CB 4.29Å; F309-V313 HydrophobicContact CD2-CG2 4.18Å; F309-V313 HydrophobicContact CE2-CB 4.24Å; F309-V313 HydrophobicContact CE2-CG1 4.19Å; F309-V313 HydrophobicContact CE2-CG2 4.29Å; F309-V313 HydrophobicContact CZ-CG1 4.34Å; F309-V313 WeakPolarHBondContact O-CB 3.36Å; F309-V313 PolarHBondContact O-N 2.6Å; V313-P316 WeakPolarHBondContact O-CD 3.19Å; V313-L317 HydrophobicContact CG1-CD1 4.08Å; V313-L317 WeakPolarHBondContact O-CG 3.33Å; V313-L317 PolarHBondContact O-N 3.39Å
314L92.7Very high90Very high2 Ų238 Ų381%0.0118%0.183CC..Iπ-helixtrans-73.7-39.2-172.8-57.3-177.9000113.1P166 M173 F309 V310 L317 W318P166-L314 HydrophobicContact CB-CB 4.03Å; P166-L314 WeakPolarHBondContact O-CD1 3.41Å; M173-L314 HydrophobicContact CE-CD1 3.7Å; M173-L314 HydrophobicContact CE-CD2 3.95Å; M173-L314 HydrophobicContact CE-CG 4.47Å; F309-L314 HydrophobicContact CD1-CD1 3.77Å; F309-L314 HydrophobicContact CD1-CD2 4.34Å; F309-L314 HydrophobicContact CD1-CG 3.81Å; F309-L314 HydrophobicContact CE1-CD1 3.76Å; F309-L314 HydrophobicContact CE1-CD2 3.67Å; F309-L314 HydrophobicContact CE1-CG 3.67Å; F309-L314 HydrophobicContact CZ-CD2 4.24Å; F309-L314 PolarHBondContact O-N 2.96Å; V310-L314 HydrophobicContact CG2-CD1 4.14Å; L314-L317 PolarHBondContact O-N 3.5Å; L314-W318 HydrophobicContact CB-CE3 4.12Å; L314-W318 HydrophobicContact CB-CZ3 4.14Å; L314-W318 HydrophobicContact CD2-CH2 4.38Å; L314-W318 HydrophobicContact CD2-CZ3 3.78Å; L314-W318 HydrophobicContact CG-CZ3 4.43Å; L314-W318 WeakPolarHBondContact O-CB 3.49Å; L314-W318 VanDerWaalsContact O-CE3 3.24Å; L314-W318 PolarHBondContact O-N 2.82Å
315E92.7Very high90.2Very high52 Ų5232.2 Ų32.224%0.24316%0.155CC..Hα-helixtrans-59.7-49.1177.1-83.6-179.4-166.600113.2P166 K306 V310 L317 W318 N319P166-E315 HydrophobicContact CB-CG 4.38Å; P166-E315 HydrophobicContact CG-CG 4.27Å; K306-E315 WeakPolarHBondContact CD-OE1 3.48Å; K306-E315 WeakPolarHBondContact CE-OE1 3.36Å; K306-E315 IonicContact NZ-OE1 3.25Å; K306-E315 PolarHBondContact NZ-OE1 3.06Å; V310-E315 WeakPolarHBondContact O-CB 3.42Å; V310-E315 WeakPolarHBondContact O-CG 3.28Å; V310-E315 PolarHBondContact O-N 3.26Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 2.85Å; E315-W318 PolarHBondContact O-N 3.42Å; E315-N319 VanDerWaalsContact O-CB 3.29Å; E315-N319 WeakPolarHBondContact O-CB 3.39Å; E315-N319 PolarHBondContact O-N 2.99Å; E315-N319 PolarHBondContact O-ND2 3.06Å
316P90.9Very high90.3Very high40 Ų4031.1 Ų31.126%0.2615%0.15SC..Hα-helixtrans-55.5-40.6171.7-31.138.8000114.5V313 A320 W365V313-P316 WeakPolarHBondContact O-CD 3.19Å; P316-A320 PolarHBondContact O-N 3.49Å; P316-A320 VanDerWaalsContact O-N 3.13Å; P316-W365 HydrophobicContact CB-CH2 3.89Å
317L92.1Very high90.3Very high1 Ų130.5 Ų30.51%0.00515%0.149CC..Hα-helixtrans-67.2-49.5177.5-74.8166.1000112W252 F254 V313 L314 E315 N319 A320 Y321 L362 W365 L366W252-L317 HydrophobicContact CH2-CD1 4.36Å; W252-L317 HydrophobicContact CZ3-CD1 4.41Å; F254-L317 HydrophobicContact CD1-CD1 4.31Å; F254-L317 HydrophobicContact CE1-CD1 3.61Å; F254-L317 HydrophobicContact CZ-CD1 4.43Å; V313-L317 HydrophobicContact CG1-CD1 4.08Å; V313-L317 WeakPolarHBondContact O-CG 3.33Å; V313-L317 PolarHBondContact O-N 3.39Å; L314-L317 PolarHBondContact O-N 3.5Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 2.85Å; L317-N319 VanDerWaalsContact C-N 3.28Å; L317-N319 PolarHBondContact O-N 3.05Å; L317-A320 WeakPolarHBondContact O-CB 3.22Å; L317-A320 PolarHBondContact O-N 3.19Å; L317-Y321 WeakPolarHBondContact O-CD2 3.37Å; L317-Y321 PolarHBondContact O-N 3.45Å; L317-L362 HydrophobicContact CD2-CD2 4Å; L317-W365 HydrophobicContact CD2-CE3 4.33Å; L317-W365 HydrophobicContact CD2-CH2 4.11Å; L317-W365 HydrophobicContact CD2-CZ3 3.64Å; L317-W365 HydrophobicContact CG-CH2 4.17Å; L317-W365 HydrophobicContact CG-CZ3 4.15Å; L317-L366 HydrophobicContact CD2-CD1 4.11Å
318W93.5Very high90Very high8 Ų833.3 Ų33.33%0.0316%0.163CC..Hα-helixtrans-60.8-38.8177.2-94.7-119.4000111.4I155 L158 V159 L164 P166 A169 L314 E315 A320 Y321 Q322I155-W318 HydrophobicContact CG2-CH2 4.18Å; I155-W318 HydrophobicContact CG2-CZ3 4.48Å; L158-W318 HydrophobicContact CB-CZ2 4.47Å; V159-W318 HydrophobicContact CG1-CD2 4.49Å; V159-W318 HydrophobicContact CG1-CG 4.41Å; V159-W318 HydrophobicContact CG2-CD2 4.03Å; V159-W318 HydrophobicContact CG2-CE3 4.17Å; V159-W318 HydrophobicContact CG2-CH2 3.81Å; V159-W318 HydrophobicContact CG2-CZ2 3.63Å; V159-W318 HydrophobicContact CG2-CZ3 4.07Å; L164-W318 PolarHBondContact O-NE1 2.98Å; P166-W318 HydrophobicContact CG-CB 4.01Å; P166-W318 HydrophobicContact CG-CD2 4.12Å; P166-W318 HydrophobicContact CG-CG 3.68Å; A169-W318 HydrophobicContact CB-CH2 3.66Å; A169-W318 HydrophobicContact CB-CZ2 3.34Å; L314-W318 HydrophobicContact CB-CE3 4.12Å; L314-W318 HydrophobicContact CB-CZ3 4.14Å; L314-W318 HydrophobicContact CD2-CH2 4.38Å; L314-W318 HydrophobicContact CD2-CZ3 3.78Å; L314-W318 HydrophobicContact CG-CZ3 4.43Å; L314-W318 WeakPolarHBondContact O-CB 3.49Å; L314-W318 VanDerWaalsContact O-CE3 3.24Å; L314-W318 PolarHBondContact O-N 2.82Å; E315-W318 PolarHBondContact O-N 3.42Å; W318-A320 VanDerWaalsContact C-N 3.29Å; W318-A320 PolarHBondContact O-N 3.31Å; W318-Y321 PolarHBondContact O-N 3Å; W318-Q322 WeakPolarHBondContact O-CB 3.4Å; W318-Q322 VanDerWaalsContact O-CG 3.29Å; W318-Q322 WeakPolarHBondContact O-CG 3.3Å; W318-Q322 PolarHBondContact O-N 2.81Å
319N91.7Very high89.6Confident78 Ų7837.2 Ų37.242%0.41718%0.18SC..Hα-helixtrans-62-35.7174.2-73.6-34.7000112E315 L317 T323E315-N319 VanDerWaalsContact O-CB 3.29Å; E315-N319 WeakPolarHBondContact O-CB 3.39Å; E315-N319 PolarHBondContact O-N 2.99Å; E315-N319 PolarHBondContact O-ND2 3.06Å; L317-N319 VanDerWaalsContact C-N 3.28Å; L317-N319 PolarHBondContact O-N 3.05Å; N319-T323 WeakPolarHBondContact O-CG2 3.2Å; N319-T323 PolarHBondContact O-N 3.18Å; N319-T323 PolarHBondContact O-OG1 3.15Å
320A90.9Very high89.1Confident0 Ų041.2 Ų41.20%020%0.195CC..Hα-helixtrans-69.5-43.117500000112.6P316 L317 W318 T323 L324 M336 L358 F361P316-A320 PolarHBondContact O-N 3.49Å; P316-A320 VanDerWaalsContact O-N 3.13Å; L317-A320 WeakPolarHBondContact O-CB 3.22Å; L317-A320 PolarHBondContact O-N 3.19Å; W318-A320 VanDerWaalsContact C-N 3.29Å; W318-A320 PolarHBondContact O-N 3.31Å; A320-T323 PolarHBondContact O-OG1 3.48Å; A320-L324 VanDerWaalsContact O-CB 3.3Å; A320-L324 WeakPolarHBondContact O-CB 3.25Å; A320-L324 WeakPolarHBondContact O-CG 3.49Å; A320-L324 PolarHBondContact O-N 3Å; A320-M336 HydrophobicContact CB-CE 3.9Å; A320-L358 HydrophobicContact CB-CD1 4.47Å; A320-F361 HydrophobicContact CB-CD1 4.39Å; A320-F361 HydrophobicContact CB-CE1 3.82Å
321Y91.5Very high88.6Confident2 Ų248.7 Ų48.71%0.00824%0.235CC..Hα-helixtrans-61-44.6171.7-83-88.6000111.2D156 V159 V160 D250 W252 L317 W318 F325 F326 L358 L362D156-Y321 HydrophobicContact CB-CE1 4.11Å; D156-Y321 WeakPolarHBondContact CB-OH 3.07Å; V159-Y321 HydrophobicContact CB-CD1 4.45Å; V159-Y321 HydrophobicContact CB-CG 4.33Å; V159-Y321 HydrophobicContact CG1-CD1 4.23Å; V159-Y321 HydrophobicContact CG1-CD2 4.27Å; V159-Y321 HydrophobicContact CG1-CG 3.79Å; V159-Y321 HydrophobicContact CG2-CD2 4.39Å; V160-Y321 HydrophobicContact CG2-CD1 4.02Å; V160-Y321 HydrophobicContact CG2-CE1 4.13Å; D250-Y321 WeakPolarHBondContact OD2-CE1 3.39Å; D250-Y321 PolarHBondContact OD2-OH 3.34Å; W252-Y321 HydrophobicContact CZ2-CE2 4.49Å; W252-Y321 AromaticContact NE1-CZ 3.94Å; W252-Y321 PolarHBondContact NE1-OH 3.13Å; L317-Y321 WeakPolarHBondContact O-CD2 3.37Å; L317-Y321 PolarHBondContact O-N 3.45Å; W318-Y321 PolarHBondContact O-N 3Å; Y321-F325 WeakPolarHBondContact O-CA 3.4Å; Y321-F325 WeakPolarHBondContact O-CB 3.48Å; Y321-F325 PolarHBondContact O-N 2.93Å; Y321-F326 PolarHBondContact O-N 3.31Å; Y321-L358 HydrophobicContact CD1-CD2 3.68Å; Y321-L358 HydrophobicContact CE1-CD2 3.56Å; Y321-L358 HydrophobicContact CG-CD2 4.35Å; Y321-L362 HydrophobicContact CE2-CD1 3.83Å
322Q90.4Very high88.3Confident95 Ų9550.3 Ų50.344%0.44424%0.241SC..Iπ-helixtrans-59.5-53.1176.8-73.8176.27.900112.2W318 L324 F326 E327W318-Q322 WeakPolarHBondContact O-CB 3.4Å; W318-Q322 VanDerWaalsContact O-CG 3.29Å; W318-Q322 WeakPolarHBondContact O-CG 3.3Å; W318-Q322 PolarHBondContact O-N 2.81Å; Q322-L324 PolarHBondContact O-N 3.33Å; Q322-F326 PolarHBondContact O-N 3.47Å; Q322-E327 WeakPolarHBondContact O-CG 3.43Å; Q322-E327 PolarHBondContact O-N 3.48Å
323T89.1Confident88Confident19 Ų1949.5 Ų49.512%0.11724%0.237CC..Iπ-helixtrans-71.2-32.3-175.254.90000114.2N319 A320 D328 K329 K332 M336N319-T323 WeakPolarHBondContact O-CG2 3.2Å; N319-T323 PolarHBondContact O-N 3.18Å; N319-T323 PolarHBondContact O-OG1 3.15Å; A320-T323 PolarHBondContact O-OG1 3.48Å; T323-D328 PolarHBondContact O-N 2.9Å; T323-K329 PolarHBondContact O-N 3.31Å; T323-K332 HydrophobicContact CG2-CD 4.38Å; T323-M336 HydrophobicContact CG2-SD 4.28Å; T323-M336 PolarHBondContact OG1-SD 2.86Å; T323-M336 VanDerWaalsContact OG1-SD 3.33Å
324L86.7Confident87.6Confident4 Ų454.5 Ų54.52%0.02126%0.259CS..Iπ-helixtrans-101-39-172.7-53.6-172.4000113.5A320 Q322 V333 L358 F361A320-L324 VanDerWaalsContact O-CB 3.3Å; A320-L324 WeakPolarHBondContact O-CB 3.25Å; A320-L324 WeakPolarHBondContact O-CG 3.49Å; A320-L324 PolarHBondContact O-N 3Å; Q322-L324 PolarHBondContact O-N 3.33Å; L324-V333 HydrophobicContact CD1-CG2 4.27Å; L324-V333 HydrophobicContact CD2-CG2 3.32Å; L324-V333 HydrophobicContact CG-CG2 4.44Å; L324-L358 HydrophobicContact CB-CB 4.31Å; L324-L358 HydrophobicContact CB-CD1 4.15Å; L324-L358 HydrophobicContact CD1-CB 4.45Å; L324-L358 HydrophobicContact CD1-CD1 3.93Å; L324-L358 HydrophobicContact CG-CD1 4.5Å; L324-F361 HydrophobicContact CD1-CB 4.34Å; L324-F361 HydrophobicContact CD1-CD1 4.19Å; L324-F361 HydrophobicContact CD1-CG 4.29Å
325F86.1Confident87.3Confident65 Ų6556.8 Ų56.829%0.28528%0.278SS..Iπ-helixtrans-90.5-43.9-178.3-171.9-97.3000112.4V160 Y321 R355 L358V160-F325 HydrophobicContact CG1-CE1 3.77Å; V160-F325 HydrophobicContact CG1-CZ 3.97Å; V160-F325 HydrophobicContact CG2-CD1 4.4Å; V160-F325 HydrophobicContact CG2-CE1 4.26Å; Y321-F325 WeakPolarHBondContact O-CA 3.4Å; Y321-F325 WeakPolarHBondContact O-CB 3.48Å; Y321-F325 PolarHBondContact O-N 2.93Å; F325-R355 HydrophobicContact CD2-CB 4.29Å; F325-R355 HydrophobicContact CE2-CB 4.29Å; F325-R355 HydrophobicContact CE2-CG 4.45Å; F325-L358 HydrophobicContact CB-CD2 4.3Å
326F86.4Confident87Confident97 Ų9756.1 Ų56.143%0.42528%0.275SS..Iπ-helixtrans-91.2-37.2-177.2-65.6-80.2000113.7Y321 Q322Y321-F326 PolarHBondContact O-N 3.31Å; Q322-F326 PolarHBondContact O-N 3.47Å
327E86.6Confident86.7Confident91 Ų9154.3 Ų54.343%0.42526%0.264SS..SBendtrans-96.3-15-179.1-60.9-165129.600115.1Q322 K329 K332Q322-E327 WeakPolarHBondContact O-CG 3.43Å; Q322-E327 PolarHBondContact O-N 3.48Å; E327-K329 HydrophobicContact CB-CD 4.07Å; E327-K329 HydrophobicContact CB-CG 3.96Å; E327-K329 PolarHBondContact O-N 3Å; E327-K329 VanDerWaalsContact O-N 3.13Å; E327-K329 IonicContact OE1-NZ 3.37Å; E327-K329 PolarHBondContact OE1-NZ 2.92Å; E327-K329 VanDerWaalsContact OE2-CD 3.25Å; E327-K329 WeakPolarHBondContact OE2-CD 3.49Å; E327-K329 WeakPolarHBondContact OE2-CE 3.44Å; E327-K329 IonicContact OE2-NZ 2.72Å; E327-K329 PolarHBondContact OE2-NZ 3.01Å; E327-K332 IonicContact OE2-NZ 3.65Å
328D82.9Confident86.3Confident68 Ų6860.3 Ų60.336%0.36429%0.292SS..  trans42.137.3-169.6-160.413.5000114.9T323 R330T323-D328 PolarHBondContact O-N 2.9Å; D328-R330 VanDerWaalsContact C-N 3.31Å; D328-R330 PolarHBondContact O-N 2.98Å; D328-R330 VanDerWaalsContact OD1-CG 3.31Å; D328-R330 WeakPolarHBondContact OD1-CG 3.33Å; D328-R330 IonicContact OD1-CZ 3.04Å; D328-R330 IonicContact OD1-NE 3.54Å; D328-R330 PolarHBondContact OD1-NE 3.26Å; D328-R330 IonicContact OD1-NH2 2.73Å; D328-R330 IonicContact OD2-CZ 3.65Å; D328-R330 IonicContact OD2-NE 3.08Å; D328-R330 PolarHBondContact OD2-NE 3.01Å; D328-R330 IonicContact OD2-NH2 2.74Å; D328-R330 PolarHBondContact OD2-NH2 3.14Å
329K84.1Confident85.9Confident83 Ų8367.6 Ų67.636%0.36132%0.324SS..  trans-84.770.7-178-72179.8-162.9155.20111.7T323 E327 D331 K332T323-K329 PolarHBondContact O-N 3.31Å; E327-K329 HydrophobicContact CB-CD 4.07Å; E327-K329 HydrophobicContact CB-CG 3.96Å; E327-K329 PolarHBondContact O-N 3Å; E327-K329 VanDerWaalsContact O-N 3.13Å; E327-K329 IonicContact OE1-NZ 3.37Å; E327-K329 PolarHBondContact OE1-NZ 2.92Å; E327-K329 VanDerWaalsContact OE2-CD 3.25Å; E327-K329 WeakPolarHBondContact OE2-CD 3.49Å; E327-K329 WeakPolarHBondContact OE2-CE 3.44Å; E327-K329 IonicContact OE2-NZ 2.72Å; E327-K329 PolarHBondContact OE2-NZ 3.01Å; K329-D331 PolarHBondContact O-N 3.07Å; K329-D331 VanDerWaalsContact O-N 3.15Å; K329-K332 HydrophobicContact CB-CD 4.03Å; K329-K332 HydrophobicContact CB-CG 4.24Å; K329-K332 HydrophobicContact CD-CD 4.25Å; K329-K332 WeakPolarHBondContact O-CB 3.43Å; K329-K332 PolarHBondContact O-N 3.16Å
330R80.5Confident85.4Confident84 Ų8465.6 Ų65.632%0.31731%0.314SS..THydrogen-bonded Turntrans-54.5-33.1-176.1-55.7-172.1-166.5-175.910.8114D328 K332 V333 I349D328-R330 VanDerWaalsContact C-N 3.31Å; D328-R330 PolarHBondContact O-N 2.98Å; D328-R330 VanDerWaalsContact OD1-CG 3.31Å; D328-R330 WeakPolarHBondContact OD1-CG 3.33Å; D328-R330 IonicContact OD1-CZ 3.04Å; D328-R330 IonicContact OD1-NE 3.54Å; D328-R330 PolarHBondContact OD1-NE 3.26Å; D328-R330 IonicContact OD1-NH2 2.73Å; D328-R330 IonicContact OD2-CZ 3.65Å; D328-R330 IonicContact OD2-NE 3.08Å; D328-R330 PolarHBondContact OD2-NE 3.01Å; D328-R330 IonicContact OD2-NH2 2.74Å; D328-R330 PolarHBondContact OD2-NH2 3.14Å; R330-K332 PolarHBondContact O-N 3.22Å; R330-V333 VanDerWaalsContact O-CB 3.23Å; R330-V333 WeakPolarHBondContact O-CB 3.47Å; R330-V333 WeakPolarHBondContact O-CG2 3.5Å; R330-V333 PolarHBondContact O-N 3.29Å; R330-I349 HydrophobicContact CB-CG2 4.34Å
331D81.6Confident84.9Confident157 Ų15768.6 Ų68.684%0.8435%0.345SS*.Hα-helixtrans-60.5-29.4177.7-55.2-39000113K329 V333K329-D331 PolarHBondContact O-N 3.07Å; K329-D331 VanDerWaalsContact O-N 3.15Å; D331-V333 VanDerWaalsContact C-N 3.33Å
332K83.6Confident84.4Confident94 Ų9469.4 Ų69.441%0.40935%0.35SS..Hα-helixtrans-76.3-18.8178.1-63.9-177.7179.8178.40113T323 E327 K329 R330 F334 A335 M336T323-K332 HydrophobicContact CG2-CD 4.38Å; E327-K332 IonicContact OE2-NZ 3.65Å; K329-K332 HydrophobicContact CB-CD 4.03Å; K329-K332 HydrophobicContact CB-CG 4.24Å; K329-K332 HydrophobicContact CD-CD 4.25Å; K329-K332 WeakPolarHBondContact O-CB 3.43Å; K329-K332 PolarHBondContact O-N 3.16Å; R330-K332 PolarHBondContact O-N 3.22Å; K332-F334 VanDerWaalsContact C-N 3.27Å; K332-F334 PolarHBondContact O-N 3.36Å; K332-A335 PolarHBondContact O-N 3.18Å; K332-M336 WeakPolarHBondContact O-CG 3.43Å; K332-M336 PolarHBondContact O-N 3.46Å
333V83.1Confident84.1Confident0 Ų072.7 Ų72.70%037%0.371CS..Hα-helixtrans-52.7-47.4-179.2175.70000110.5L324 R330 D331 M336 A337 L344 I349 V357L324-V333 HydrophobicContact CD1-CG2 4.27Å; L324-V333 HydrophobicContact CD2-CG2 3.32Å; L324-V333 HydrophobicContact CG-CG2 4.44Å; R330-V333 VanDerWaalsContact O-CB 3.23Å; R330-V333 WeakPolarHBondContact O-CB 3.47Å; R330-V333 WeakPolarHBondContact O-CG2 3.5Å; R330-V333 PolarHBondContact O-N 3.29Å; D331-V333 VanDerWaalsContact C-N 3.33Å; V333-M336 PolarHBondContact O-N 2.85Å; V333-A337 VanDerWaalsContact O-CB 3.3Å; V333-A337 WeakPolarHBondContact O-CB 3.3Å; V333-A337 PolarHBondContact O-N 3.16Å; V333-L344 HydrophobicContact CG1-CD1 3.69Å; V333-I349 HydrophobicContact CG1-CD1 4.05Å; V333-I349 HydrophobicContact CG1-CG1 4.45Å; V333-V357 HydrophobicContact CG2-CG1 4.07Å
334F83.4Confident83.7Confident105 Ų10573.1 Ų73.146%0.46137%0.372SS..Hα-helixtrans-65.6-42.9-176.3-167.9-106.4000112K332 M336 A337 Q338K332-F334 VanDerWaalsContact C-N 3.27Å; K332-F334 PolarHBondContact O-N 3.36Å; F334-M336 VanDerWaalsContact C-N 3.31Å; F334-M336 PolarHBondContact O-N 2.97Å; F334-A337 PolarHBondContact O-N 3.17Å; F334-Q338 HydrophobicContact CD1-CG 4.47Å; F334-Q338 HydrophobicContact CE1-CG 4.28Å; F334-Q338 WeakPolarHBondContact O-CB 3.35Å; F334-Q338 WeakPolarHBondContact O-CG 3.37Å; F334-Q338 PolarHBondContact O-N 2.98Å
335A85.9Confident83.4Confident49 Ų4978.4 Ų78.441%0.40540%0.4SS..Hα-helixtrans-66.6-30.7175.600000112.9K332 K339K332-A335 PolarHBondContact O-N 3.18Å; A335-K339 VanDerWaalsContact O-CG 3.29Å; A335-K339 WeakPolarHBondContact O-CG 3.21Å; A335-K339 PolarHBondContact O-N 3.44Å
336M85.4Confident83.1Confident38 Ų3881.1 Ų81.119%0.18741%0.414CS..Hα-helixtrans-73.3-45.9172.6-68.9-177.567.800111.3A320 T323 K332 V333 F334 Q338 K339 V340 F361A320-M336 HydrophobicContact CB-CE 3.9Å; T323-M336 HydrophobicContact CG2-SD 4.28Å; T323-M336 PolarHBondContact OG1-SD 2.86Å; T323-M336 VanDerWaalsContact OG1-SD 3.33Å; K332-M336 WeakPolarHBondContact O-CG 3.43Å; K332-M336 PolarHBondContact O-N 3.46Å; V333-M336 PolarHBondContact O-N 2.85Å; F334-M336 VanDerWaalsContact C-N 3.31Å; F334-M336 PolarHBondContact O-N 2.97Å; M336-Q338 VanDerWaalsContact C-N 3.32Å; M336-Q338 PolarHBondContact O-N 2.91Å; M336-K339 PolarHBondContact O-N 3.31Å; M336-K339 VanDerWaalsContact O-N 3.13Å; M336-V340 WeakPolarHBondContact O-CG2 3.39Å; M336-V340 PolarHBondContact O-N 2.76Å; M336-F361 HydrophobicContact CB-CE2 4.2Å; M336-F361 HydrophobicContact CB-CZ 4.26Å
337A84.7Confident82.5Confident2 Ų286.2 Ų86.22%0.01743%0.43CS..Hα-helixtrans-58.8-42.417800000111.7V333 F334 V340 G341 V342 L344 F361V333-A337 VanDerWaalsContact O-CB 3.3Å; V333-A337 WeakPolarHBondContact O-CB 3.3Å; V333-A337 PolarHBondContact O-N 3.16Å; F334-A337 PolarHBondContact O-N 3.17Å; A337-V340 PolarHBondContact O-N 3.44Å; A337-G341 PolarHBondContact O-N 3.25Å; A337-V342 CarbonylContact C-O 3.59Å; A337-V342 WeakPolarHBondContact CB-O 3.44Å; A337-V342 PolarHBondContact O-N 3.07Å; A337-L344 HydrophobicContact CB-CD1 4.36Å; A337-F361 HydrophobicContact CB-CD2 4.39Å; A337-F361 HydrophobicContact CB-CE2 4.19Å
338Q84.7Confident81.9Confident128 Ų12883.1 Ų83.160%0.59842%0.418SS*.Hα-helixtrans-62.5-41.1173-75-175.9-30.100113.9F334 M336 V340F334-Q338 HydrophobicContact CD1-CG 4.47Å; F334-Q338 HydrophobicContact CE1-CG 4.28Å; F334-Q338 WeakPolarHBondContact O-CB 3.35Å; F334-Q338 WeakPolarHBondContact O-CG 3.37Å; F334-Q338 PolarHBondContact O-N 2.98Å; M336-Q338 VanDerWaalsContact C-N 3.32Å; M336-Q338 PolarHBondContact O-N 2.91Å; Q338-V340 VanDerWaalsContact C-N 3.29Å; Q338-V340 PolarHBondContact O-N 2.6Å
339K84.2Confident81.5Confident161 Ų16181.2 Ų81.270%0.741%0.407SS*.Hα-helixtrans-66.4-32.2177.4-76.7173.8179.2-174.70113.1R266 A335 M336R266-K339 PolarHBondContact NH1-O 3.15Å; A335-K339 VanDerWaalsContact O-CG 3.29Å; A335-K339 WeakPolarHBondContact O-CG 3.21Å; A335-K339 PolarHBondContact O-N 3.44Å; M336-K339 PolarHBondContact O-N 3.31Å; M336-K339 VanDerWaalsContact O-N 3.13Å
340V80.9Confident81.1Confident35 Ų3586.1 Ų86.121%0.21242%0.424CS..Hα-helixtrans-79.7-43178.5175.70000110.4R266 M336 A337 Q338 V342 F361 W365R266-V340 PolarHBondContact NH2-O 3.33Å; R266-V340 VanDerWaalsContact NH2-O 3.11Å; M336-V340 WeakPolarHBondContact O-CG2 3.39Å; M336-V340 PolarHBondContact O-N 2.76Å; A337-V340 PolarHBondContact O-N 3.44Å; Q338-V340 VanDerWaalsContact C-N 3.29Å; Q338-V340 PolarHBondContact O-N 2.6Å; V340-V342 HydrophobicContact CB-CG2 4.47Å; V340-V342 HydrophobicContact CG1-CG2 3.79Å; V340-F361 HydrophobicContact CG2-CZ 4.36Å; V340-W365 HydrophobicContact CG1-CB 4.37Å; V340-W365 HydrophobicContact CG1-CD2 3.7Å; V340-W365 HydrophobicContact CG1-CG 3.51Å; V340-W365 HydrophobicContact CG1-CZ2 4.4Å; V340-W365 VanDerWaalsContact CG1-NE1 3.26Å; V340-W365 HydrophobicContact CG2-CD2 4.48Å
341G81.1Confident80.7Confident63 Ų6388.8 Ų88.865%0.64944%0.444SS*.THydrogen-bonded Turntrans111.623.9-17700000113.9A337A337-G341 PolarHBondContact O-N 3.25Å
342V82.1Confident80.4Confident19 Ų1983.4 Ų83.412%0.11542%0.417CS..  trans-110.9132.7-172.7177.50000110.2A337 V340 L344 A364 W365A337-V342 CarbonylContact C-O 3.59Å; A337-V342 WeakPolarHBondContact CB-O 3.44Å; A337-V342 PolarHBondContact O-N 3.07Å; V340-V342 HydrophobicContact CB-CG2 4.47Å; V340-V342 HydrophobicContact CG1-CG2 3.79Å; V342-L344 HydrophobicContact CG1-CD2 4.42Å; V342-L344 HydrophobicContact CG1-CG 4.39Å; V342-A364 HydrophobicContact CG1-CB 3.54Å; V342-W365 HydrophobicContact CG2-CB 3.95Å; V342-W365 HydrophobicContact CG2-CG 4.36Å
343N82.2Confident80.3Confident164 Ų16485.1 Ų85.188%0.87743%0.43SS*.  trans-92.6123.4173.6-69.4-31.6000110
344L81.7Confident80.3Confident28 Ų2886.7 Ų86.715%0.14744%0.441CS..  trans-116133.6176.1-73.6179.9000111.8V333 A337 V342 Q346 I349 F361 A364V333-L344 HydrophobicContact CG1-CD1 3.69Å; A337-L344 HydrophobicContact CB-CD1 4.36Å; V342-L344 HydrophobicContact CG1-CD2 4.42Å; V342-L344 HydrophobicContact CG1-CG 4.39Å; L344-Q346 PolarHBondContact O-N 3Å; L344-I349 HydrophobicContact CB-CD1 4.49Å; L344-F361 HydrophobicContact CD1-CB 3.97Å; L344-F361 HydrophobicContact CD1-CD2 3.86Å; L344-F361 HydrophobicContact CD1-CG 4.42Å; L344-A364 HydrophobicContact CD2-CB 3.82Å
345D80.2Confident80.4Confident115 Ų11585.9 Ų85.962%0.61544%0.435SS*.  trans-64.2123172.7-88.8-12.6000111.7R347 V348D345-R347 PolarHBondContact O-N 3.06Å; D345-V348 HydrophobicContact CB-CG2 3.93Å; D345-V348 PolarHBondContact O-N 3.43Å
346Q78.9Confident80.3Confident122 Ų12284.7 Ų84.757%0.5743%0.427SS*.Hα-helixtrans-56.9-25.7175.9-62.7-175.56.800113.2L344 V348 I349 R350L344-Q346 PolarHBondContact O-N 3Å; Q346-V348 VanDerWaalsContact C-N 3.3Å; Q346-V348 PolarHBondContact O-N 2.84Å; Q346-I349 PolarHBondContact O-N 3.41Å; Q346-R350 PolarHBondContact O-N 2.77Å
347R74.7Confident80.4Confident204 Ų20483 Ų8377%0.7742%0.42SS*.Hα-helixtrans-63-35.5175.3-64.5179.1179.2176-0.5112.3D345 N351D345-R347 PolarHBondContact O-N 3.06Å; R347-N351 PolarHBondContact O-N 3.46Å
348V74Confident80.5Confident27 Ų2783 Ų8316%0.16442%0.419CS..Hα-helixtrans-75.9-34.4-178.7-175.90000110.9D345 Q346 R350 V352 A360D345-V348 HydrophobicContact CB-CG2 3.93Å; D345-V348 PolarHBondContact O-N 3.43Å; Q346-V348 VanDerWaalsContact C-N 3.3Å; Q346-V348 PolarHBondContact O-N 2.84Å; V348-R350 VanDerWaalsContact C-N 3.33Å; V348-R350 PolarHBondContact O-N 2.89Å; V348-V352 HydrophobicContact CG1-CG2 4.21Å; V348-V352 WeakPolarHBondContact O-CB 3.26Å; V348-V352 VanDerWaalsContact O-CG2 3.28Å; V348-V352 WeakPolarHBondContact O-CG2 3.39Å; V348-A360 HydrophobicContact CG1-CB 3.5Å; V348-A360 VanDerWaalsContact CG1-CB 3.5Å
349I75Confident80.7Confident27 Ų2778.6 Ų78.614%0.13840%0.397CS..Hα-helixtrans-67.6-33178.7-56.1174.9000111.9R330 V333 L344 Q346R330-I349 HydrophobicContact CB-CG2 4.34Å; V333-I349 HydrophobicContact CG1-CD1 4.05Å; V333-I349 HydrophobicContact CG1-CG1 4.45Å; L344-I349 HydrophobicContact CB-CD1 4.49Å; Q346-I349 PolarHBondContact O-N 3.41Å
350R76.1Confident80.7Confident187 Ų18772.2 Ų72.271%0.70637%0.374SS*.Hα-helixtrans-84.5-39.6-176.1-68.1-178.1-175.3-176.13.5114.3Q346 V348Q346-R350 PolarHBondContact O-N 2.77Å; V348-R350 VanDerWaalsContact C-N 3.33Å; V348-R350 PolarHBondContact O-N 2.89Å
351N71.7Confident81.2Confident140 Ų14070.6 Ų70.675%0.74936%0.364SS*.SBendtrans-101.39.5-164.5-65.710.4000114.2R347R347-N351 PolarHBondContact O-N 3.46Å
352V74.6Confident81.6Confident43 Ų4367.6 Ų67.626%0.26133%0.333SS..SBendtrans-131.5146.5-170.7-1720000110.1V348 G356 V357V348-V352 HydrophobicContact CG1-CG2 4.21Å; V348-V352 WeakPolarHBondContact O-CB 3.26Å; V348-V352 VanDerWaalsContact O-CG2 3.28Å; V348-V352 WeakPolarHBondContact O-CG2 3.39Å; V352-G356 VanDerWaalsContact CG1-CA 3.48Å; V352-V357 HydrophobicContact CB-CG2 4.22Å
353D81.9Confident81.7Confident131 Ų13168.4 Ų68.470%0.70134%0.34SS*.  trans-56.8156.7174.6-50-44.4000112R355 G356 V357D353-R355 VanDerWaalsContact C-N 3.3Å; D353-R355 PolarHBondContact O-N 3.28Å; D353-G356 CarbonylContact O-C 3.6Å; D353-G356 WeakPolarHBondContact O-CA 3.48Å; D353-G356 PolarHBondContact O-N 2.8Å; D353-V357 PolarHBondContact O-N 3.2Å
354S83.4Confident81.9Confident33 Ų3363.1 Ų63.123%0.23132%0.319CS..Hα-helixtrans-50.6-44.7179.956.70000113.4G356 V357 L358S354-G356 VanDerWaalsContact C-N 3.35Å; S354-G356 PolarHBondContact O-N 2.88Å; S354-V357 PolarHBondContact O-N 3.4Å; S354-L358 WeakPolarHBondContact O-CB 3.43Å; S354-L358 PolarHBondContact O-N 2.98Å
355R84.8Confident82.2Confident88 Ų8864.3 Ų64.333%0.33232%0.321SS..Hα-helixtrans-65.2-34.2174.4-170.2174-172.9152.614.8112.9D156 D250 F325 D353 R359D156-R355 IonicContact OD2-NH2 3.19Å; D156-R355 PolarHBondContact OD2-NH2 3.48Å; D156-R355 VanDerWaalsContact OD2-NH2 3.14Å; D250-R355 IonicContact OD1-CZ 3.05Å; D250-R355 VanDerWaalsContact OD1-CZ 3.25Å; D250-R355 IonicContact OD1-NE 2.73Å; D250-R355 PolarHBondContact OD1-NE 2.85Å; D250-R355 IonicContact OD1-NH2 2.76Å; D250-R355 PolarHBondContact OD1-NH2 3.38Å; D250-R355 IonicContact OD2-NH2 3.82Å; D250-R355 PolarHBondContact OD2-NH2 3.49Å; F325-R355 HydrophobicContact CD2-CB 4.29Å; F325-R355 HydrophobicContact CE2-CB 4.29Å; F325-R355 HydrophobicContact CE2-CG 4.45Å; D353-R355 VanDerWaalsContact C-N 3.3Å; D353-R355 PolarHBondContact O-N 3.28Å; R355-R359 WeakPolarHBondContact O-CB 3.38Å; R355-R359 PolarHBondContact O-N 2.93Å
356G84.6Confident82.6Confident23 Ų2359.4 Ų59.424%0.23730%0.295CS..Hα-helixtrans-76.7-29.3176.500000113.3V352 D353 S354 A360V352-G356 VanDerWaalsContact CG1-CA 3.48Å; D353-G356 CarbonylContact O-C 3.6Å; D353-G356 WeakPolarHBondContact O-CA 3.48Å; D353-G356 PolarHBondContact O-N 2.8Å; S354-G356 VanDerWaalsContact C-N 3.35Å; S354-G356 PolarHBondContact O-N 2.88Å; G356-A360 WeakPolarHBondContact O-CB 3.48Å; G356-A360 PolarHBondContact O-N 3.06Å
357V86.5Confident83.2Confident4 Ų455.2 Ų55.22%0.02428%0.279CS..Hα-helixtrans-66.9-44.7167.7177.50000110.4V333 V352 D353 S354 A360 F361V333-V357 HydrophobicContact CG2-CG1 4.07Å; V352-V357 HydrophobicContact CB-CG2 4.22Å; D353-V357 PolarHBondContact O-N 3.2Å; S354-V357 PolarHBondContact O-N 3.4Å; V357-A360 PolarHBondContact O-N 3.01Å; V357-F361 WeakPolarHBondContact O-CB 3.43Å; V357-F361 PolarHBondContact O-N 2.98Å
358L87.9Confident84Confident0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-57.4-49.1171.8176.770.1000111.3A320 Y321 L324 F325 S354 A360 F361 L362A320-L358 HydrophobicContact CB-CD1 4.47Å; Y321-L358 HydrophobicContact CD1-CD2 3.68Å; Y321-L358 HydrophobicContact CE1-CD2 3.56Å; Y321-L358 HydrophobicContact CG-CD2 4.35Å; L324-L358 HydrophobicContact CB-CB 4.31Å; L324-L358 HydrophobicContact CB-CD1 4.15Å; L324-L358 HydrophobicContact CD1-CB 4.45Å; L324-L358 HydrophobicContact CD1-CD1 3.93Å; L324-L358 HydrophobicContact CG-CD1 4.5Å; F325-L358 HydrophobicContact CB-CD2 4.3Å; S354-L358 WeakPolarHBondContact O-CB 3.43Å; S354-L358 PolarHBondContact O-N 2.98Å; L358-A360 VanDerWaalsContact C-N 3.33Å; L358-A360 PolarHBondContact O-N 2.8Å; L358-F361 PolarHBondContact O-N 3.15Å; L358-L362 HydrophobicContact CD1-CD1 3.66Å; L358-L362 HydrophobicContact CD1-CG 3.91Å; L358-L362 HydrophobicContact CD2-CD1 4.47Å; L358-L362 HydrophobicContact CG-CD1 3.84Å; L358-L362 HydrophobicContact CG-CG 4.29Å; L358-L362 WeakPolarHBondContact O-CB 3.2Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 3.4Å
359R87.4Confident84.8Confident37 Ų3744.4 Ų44.414%0.1424%0.236CC..Hα-helixtrans-59.5-41.1176.6-179.8168.7-176.8-160-4.3112.1S47 S50 S251 R355 S363S47-R359 PolarHBondContact O-NH2 3.18Å; S50-R359 PolarHBondContact O-NH1 2.97Å; S50-R359 PolarHBondContact O-NH2 3.04Å; S251-R359 VanDerWaalsContact OG-CZ 3.23Å; S251-R359 PolarHBondContact OG-NE 3.36Å; S251-R359 PolarHBondContact OG-NH2 2.99Å; R355-R359 WeakPolarHBondContact O-CB 3.38Å; R355-R359 PolarHBondContact O-N 2.93Å; R359-S363 WeakPolarHBondContact O-CB 3.26Å; R359-S363 PolarHBondContact O-N 3.03Å
360A85.9Confident85.5Confident27 Ų2746.3 Ų46.322%0.22324%0.244CC..Hα-helixtrans-65.5-42.1175.300000112.4V348 G356 V357 L358 A364V348-A360 HydrophobicContact CG1-CB 3.5Å; V348-A360 VanDerWaalsContact CG1-CB 3.5Å; G356-A360 WeakPolarHBondContact O-CB 3.48Å; G356-A360 PolarHBondContact O-N 3.06Å; V357-A360 PolarHBondContact O-N 3.01Å; L358-A360 VanDerWaalsContact C-N 3.33Å; L358-A360 PolarHBondContact O-N 2.8Å; A360-A364 WeakPolarHBondContact O-CB 3.41Å; A360-A364 PolarHBondContact O-N 3.47Å; A360-A364 VanDerWaalsContact O-N 3.14Å
361F89.5Confident86.3Confident1 Ų137.6 Ų37.60%0.00421%0.212CC..Hα-helixtrans-63.2-50.6175.4172.3-98.1000112A320 L324 M336 A337 V340 L344 V357 L358 A364 W365A320-F361 HydrophobicContact CB-CD1 4.39Å; A320-F361 HydrophobicContact CB-CE1 3.82Å; L324-F361 HydrophobicContact CD1-CB 4.34Å; L324-F361 HydrophobicContact CD1-CD1 4.19Å; L324-F361 HydrophobicContact CD1-CG 4.29Å; M336-F361 HydrophobicContact CB-CE2 4.2Å; M336-F361 HydrophobicContact CB-CZ 4.26Å; A337-F361 HydrophobicContact CB-CD2 4.39Å; A337-F361 HydrophobicContact CB-CE2 4.19Å; V340-F361 HydrophobicContact CG2-CZ 4.36Å; L344-F361 HydrophobicContact CD1-CB 3.97Å; L344-F361 HydrophobicContact CD1-CD2 3.86Å; L344-F361 HydrophobicContact CD1-CG 4.42Å; V357-F361 WeakPolarHBondContact O-CB 3.43Å; V357-F361 PolarHBondContact O-N 2.98Å; L358-F361 PolarHBondContact O-N 3.15Å; F361-A364 PolarHBondContact O-N 3.33Å; F361-W365 AromaticContact CE1-CE3 3.95Å; F361-W365 HydrophobicContact CE1-CE3 3.95Å; F361-W365 HydrophobicContact CE1-CZ3 4.41Å; F361-W365 HydrophobicContact CZ-CE3 4.23Å; F361-W365 WeakPolarHBondContact O-CB 3.34Å; F361-W365 PolarHBondContact O-N 3.08Å
362L89.6Confident87.3Confident0 Ų031 Ų310%018%0.176CC..Hα-helixtrans-71.2-38.7-178.2-63.8-178.7000112.4W252 L317 Y321 L358 A364 W365 L366W252-L362 HydrophobicContact CB-CB 3.87Å; W252-L362 HydrophobicContact CG-CB 3.99Å; W252-L362 HydrophobicContact CG-CD1 4.18Å; L317-L362 HydrophobicContact CD2-CD2 4Å; Y321-L362 HydrophobicContact CE2-CD1 3.83Å; L358-L362 HydrophobicContact CD1-CD1 3.66Å; L358-L362 HydrophobicContact CD1-CG 3.91Å; L358-L362 HydrophobicContact CD2-CD1 4.47Å; L358-L362 HydrophobicContact CG-CD1 3.84Å; L358-L362 HydrophobicContact CG-CG 4.29Å; L358-L362 WeakPolarHBondContact O-CB 3.2Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 3.4Å; L362-A364 VanDerWaalsContact C-N 3.27Å; L362-A364 PolarHBondContact O-N 3.14Å; L362-W365 HydrophobicContact CD2-CE3 3.97Å; L362-W365 HydrophobicContact CD2-CZ3 4.31Å; L362-W365 PolarHBondContact O-N 2.9Å; L362-L366 CarbonylContact O-C 3.51Å; L362-L366 PolarHBondContact O-N 2.98Å
363S85Confident88.1Confident36 Ų3628.9 Ų28.925%0.25216%0.164SC..Hα-helixtrans-67.7-25.1175179.60000113.3R359 S367R359-S363 WeakPolarHBondContact O-CB 3.26Å; R359-S363 PolarHBondContact O-N 3.03Å; S363-S367 WeakPolarHBondContact O-CB 3.32Å
364A86.1Confident88.6Confident52 Ų5224.9 Ų24.943%0.4314%0.141SC..Hα-helixtrans-86.7-25.5174.800000112.6V342 L344 A360 F361 L362V342-A364 HydrophobicContact CG1-CB 3.54Å; L344-A364 HydrophobicContact CD2-CB 3.82Å; A360-A364 WeakPolarHBondContact O-CB 3.41Å; A360-A364 PolarHBondContact O-N 3.47Å; A360-A364 VanDerWaalsContact O-N 3.14Å; F361-A364 PolarHBondContact O-N 3.33Å; L362-A364 VanDerWaalsContact C-N 3.27Å; L362-A364 PolarHBondContact O-N 3.14Å
365W88.7Confident89Confident54 Ų5423.3 Ų23.321%0.20513%0.13CC..Hα-helixtrans-81.8-51.5173.9179.817.1000112.8F259 P316 L317 V340 V342 F361 L362F259-W365 HydrophobicContact CE1-CZ2 4.06Å; F259-W365 HydrophobicContact CZ-CZ2 4.34Å; P316-W365 HydrophobicContact CB-CH2 3.89Å; L317-W365 HydrophobicContact CD2-CE3 4.33Å; L317-W365 HydrophobicContact CD2-CH2 4.11Å; L317-W365 HydrophobicContact CD2-CZ3 3.64Å; L317-W365 HydrophobicContact CG-CH2 4.17Å; L317-W365 HydrophobicContact CG-CZ3 4.15Å; V340-W365 HydrophobicContact CG1-CB 4.37Å; V340-W365 HydrophobicContact CG1-CD2 3.7Å; V340-W365 HydrophobicContact CG1-CG 3.51Å; V340-W365 HydrophobicContact CG1-CZ2 4.4Å; V340-W365 VanDerWaalsContact CG1-NE1 3.26Å; V340-W365 HydrophobicContact CG2-CD2 4.48Å; V342-W365 HydrophobicContact CG2-CB 3.95Å; V342-W365 HydrophobicContact CG2-CG 4.36Å; F361-W365 AromaticContact CE1-CE3 3.95Å; F361-W365 HydrophobicContact CE1-CE3 3.95Å; F361-W365 HydrophobicContact CE1-CZ3 4.41Å; F361-W365 HydrophobicContact CZ-CE3 4.23Å; F361-W365 WeakPolarHBondContact O-CB 3.34Å; F361-W365 PolarHBondContact O-N 3.08Å; L362-W365 HydrophobicContact CD2-CE3 3.97Å; L362-W365 HydrophobicContact CD2-CZ3 4.31Å; L362-W365 PolarHBondContact O-N 2.9Å
366L89Confident89.4Confident12 Ų1219.1 Ų19.16%0.06311%0.114CC..SBendtrans-134.468.1-170.1-60.5172.6000109.8W252 G253 F254 F259 L317 L362 L368W252-L366 CarbonylContact C-O 3.32Å; W252-L366 WeakPolarHBondContact CA-O 3.49Å; W252-L366 HydrophobicContact CB-CB 4.36Å; W252-L366 WeakPolarHBondContact CB-O 3.28Å; G253-L366 PolarHBondContact N-O 2.96Å; F254-L366 HydrophobicContact CB-CD1 4.36Å; F254-L366 HydrophobicContact CB-CD2 4.25Å; F254-L366 HydrophobicContact CD1-CD1 4.04Å; F259-L366 HydrophobicContact CE1-CD2 4.24Å; F259-L366 HydrophobicContact CE2-CD2 4.5Å; F259-L366 HydrophobicContact CZ-CD1 3.83Å; F259-L366 HydrophobicContact CZ-CD2 3.83Å; F259-L366 HydrophobicContact CZ-CG 4.49Å; L317-L366 HydrophobicContact CD2-CD1 4.11Å; L362-L366 CarbonylContact O-C 3.51Å; L362-L366 PolarHBondContact O-N 2.98Å; L366-L368 PolarHBondContact O-N 3.45Å; L366-L368 VanDerWaalsContact O-N 3.15Å
367S90.4Very high89.6Confident34 Ų3418.5 Ų18.524%0.23811%0.106CC..BIsolated β-bridgetrans-61.9116-175.6-175.40000112.5S363 G369 H370 T371S363-S367 WeakPolarHBondContact O-CB 3.32Å; S367-G369 VanDerWaalsContact C-N 3.34Å; S367-G369 PolarHBondContact O-N 3.3Å; S367-H370 PolarHBondContact O-N 3.31Å; S367-T371 PolarHBondContact O-N 3.28Å; S367-T371 PolarHBondContact O-OG1 3.31Å
368L92.2Very high89.7Confident1 Ų121.7 Ų21.71%0.00512%0.122CC..Hα-helixtrans-53.7-48-179.2177.355.9000112.8A37 C246 S251 L366 H370 T371 L372A37-L368 HydrophobicContact CB-CB 4.44Å; A37-L368 HydrophobicContact CB-CD2 3.82Å; A37-L368 HydrophobicContact CB-CG 4.13Å; C246-L368 HydrophobicContact CB-CD1 3.45Å; C246-L368 VanDerWaalsContact CB-CD1 3.45Å; S251-L368 WeakPolarHBondContact O-CB 3.33Å; S251-L368 PolarHBondContact O-N 3.46Å; L366-L368 PolarHBondContact O-N 3.45Å; L366-L368 VanDerWaalsContact O-N 3.15Å; L368-H370 PolarHBondContact O-N 2.62Å; L368-T371 PolarHBondContact O-N 2.83Å; L368-L372 HydrophobicContact CD1-CD1 3.65Å; L368-L372 HydrophobicContact CD1-CG 3.93Å; L368-L372 HydrophobicContact CG-CD1 3.87Å; L368-L372 WeakPolarHBondContact O-CG 3.35Å; L368-L372 PolarHBondContact O-N 3.14Å
369G90.6Very high89.8Confident2 Ų223.9 Ų23.92%0.02113%0.134CC..Hα-helixtrans-65.8-39.2-175.700000113T41 S367 M373T41-G369 VanDerWaalsContact OG1-CA 3.31Å; T41-G369 WeakPolarHBondContact OG1-CA 3.18Å; S367-G369 VanDerWaalsContact C-N 3.34Å; S367-G369 PolarHBondContact O-N 3.3Å; G369-M373 WeakPolarHBondContact O-CB 3.37Å; G369-M373 WeakPolarHBondContact O-CG 3.45Å; G369-M373 PolarHBondContact O-N 2.79Å
370H90.7Very high89.8Confident68 Ų6822.4 Ų22.432%0.31513%0.129SC..Hα-helixtrans-67-44.6173.4-78.1-87.9000111.8F78 S367 L368 L372 M373 H374F78-H370 AromaticContact CE2-ND1 3.95Å; S367-H370 PolarHBondContact O-N 3.31Å; L368-H370 PolarHBondContact O-N 2.62Å; H370-L372 VanDerWaalsContact C-N 3.35Å; H370-L372 PolarHBondContact O-N 3.29Å; H370-M373 PolarHBondContact O-N 2.92Å; H370-H374 PolarHBondContact O-CD2 3.05Å; H370-H374 PolarHBondContact O-N 3.15Å
371T92.1Very high89.8Confident3 Ų322.3 Ų22.32%0.01813%0.126CC..Hα-helixtrans-58.1-45.5177.8-63.50000112.1V244 G253 R255 Q258 S367 L368 A375V244-T371 HydrophobicContact CG1-CG2 4.08Å; G253-T371 WeakPolarHBondContact O-CB 3.5Å; G253-T371 PolarHBondContact O-OG1 2.8Å; R255-T371 HydrophobicContact CG-CG2 4.01Å; R255-T371 PolarHBondContact NH1-O 3.37Å; Q258-T371 PolarHBondContact NE2-OG1 3.4Å; Q258-T371 PolarHBondContact OE1-OG1 2.88Å; S367-T371 PolarHBondContact O-N 3.28Å; S367-T371 PolarHBondContact O-OG1 3.31Å; L368-T371 PolarHBondContact O-N 2.83Å; T371-A375 WeakPolarHBondContact O-CB 3.47Å; T371-A375 PolarHBondContact O-N 2.97Å
372L93.3Very high89.7Confident1 Ų123.2 Ų23.21%0.00513%0.133CC..Hα-helixtrans-67-43.5177.3-73.3170.7000112M34 L38 V244 L368 H370 H374 A375 I376M34-L372 HydrophobicContact CG-CD1 3.45Å; M34-L372 VanDerWaalsContact CG-CD1 3.45Å; M34-L372 HydrophobicContact SD-CD1 3.79Å; M34-L372 HydrophobicContact SD-CD2 4.33Å; L38-L372 HydrophobicContact CD2-CB 3.71Å; L38-L372 HydrophobicContact CD2-CD1 4.3Å; L38-L372 HydrophobicContact CG-CD1 4.28Å; V244-L372 HydrophobicContact CB-CD2 4.43Å; V244-L372 HydrophobicContact CG1-CD2 4.05Å; V244-L372 HydrophobicContact CG2-CD2 4.28Å; L368-L372 HydrophobicContact CD1-CD1 3.65Å; L368-L372 HydrophobicContact CD1-CG 3.93Å; L368-L372 HydrophobicContact CG-CD1 3.87Å; L368-L372 WeakPolarHBondContact O-CG 3.35Å; L368-L372 PolarHBondContact O-N 3.14Å; H370-L372 VanDerWaalsContact C-N 3.35Å; H370-L372 PolarHBondContact O-N 3.29Å; L372-H374 PolarHBondContact O-N 3.05Å; L372-A375 WeakPolarHBondContact O-CB 3.28Å; L372-A375 PolarHBondContact O-N 2.87Å; L372-I376 VanDerWaalsContact O-CG1 3.32Å; L372-I376 WeakPolarHBondContact O-CG1 3.4Å; L372-I376 PolarHBondContact O-N 3.06Å
373M91.5Very high89.6Confident0 Ų023.2 Ų23.20%013%0.133CC..Hα-helixtrans-61.1-43.4177.2-76.2-65.9-130.200112.5L38 L76 F78 V95 G369 H370 A375 I376 T377L38-M373 HydrophobicContact CD2-CG 3.77Å; L38-M373 HydrophobicContact CD2-SD 4.07Å; L76-M373 HydrophobicContact CB-CE 3.58Å; L76-M373 HydrophobicContact CD1-CE 4.07Å; L76-M373 HydrophobicContact CG-CE 4.47Å; F78-M373 HydrophobicContact CB-CE 3.88Å; F78-M373 HydrophobicContact CB-SD 4.32Å; F78-M373 HydrophobicContact CD1-CB 4.04Å; F78-M373 HydrophobicContact CD2-CB 3.47Å; F78-M373 VanDerWaalsContact CD2-CB 3.47Å; F78-M373 HydrophobicContact CD2-CE 4.32Å; F78-M373 HydrophobicContact CD2-CG 3.78Å; F78-M373 HydrophobicContact CD2-SD 4.48Å; F78-M373 HydrophobicContact CE1-CB 3.96Å; F78-M373 HydrophobicContact CE2-CB 3.4Å; F78-M373 HydrophobicContact CE2-CG 4.09Å; F78-M373 HydrophobicContact CG-CB 3.8Å; F78-M373 HydrophobicContact CG-CE 4.39Å; F78-M373 HydrophobicContact CG-CG 4.23Å; F78-M373 HydrophobicContact CG-SD 4.43Å; F78-M373 HydrophobicContact CZ-CB 3.65Å; V95-M373 HydrophobicContact CB-CE 4.43Å; V95-M373 HydrophobicContact CB-SD 4.27Å; V95-M373 HydrophobicContact CG1-SD 4.43Å; V95-M373 HydrophobicContact CG2-CE 4.4Å; V95-M373 HydrophobicContact CG2-SD 3.95Å; G369-M373 WeakPolarHBondContact O-CB 3.37Å; G369-M373 WeakPolarHBondContact O-CG 3.45Å; G369-M373 PolarHBondContact O-N 2.79Å; H370-M373 PolarHBondContact O-N 2.92Å; M373-A375 VanDerWaalsContact C-N 3.3Å; M373-A375 PolarHBondContact O-N 3.28Å; M373-I376 PolarHBondContact O-N 2.87Å; M373-T377 PolarHBondContact O-N 2.59Å; M373-T377 PolarHBondContact O-OG1 3.03Å
374H91.6Very high89.5Confident46 Ų4624 Ų2421%0.21314%0.138CC..Hα-helixtrans-58.6-44.1170.9-76.3-65.1000111F78 R255 H370 L372 I376 T377 D378F78-H374 AromaticContact CE1-CE1 3.96Å; F78-H374 AromaticContact CE1-ND1 3.82Å; F78-H374 AromaticContact CZ-CD2 3.91Å; F78-H374 AromaticContact CZ-CE1 3.67Å; F78-H374 AromaticContact CZ-CG 3.97Å; F78-H374 AromaticContact CZ-ND1 3.83Å; F78-H374 AromaticContact CZ-NE2 3.72Å; R255-H374 VanDerWaalsContact NH1-C 3.34Å; R255-H374 VanDerWaalsContact NH1-CB 3.34Å; H370-H374 PolarHBondContact O-CD2 3.05Å; H370-H374 PolarHBondContact O-N 3.15Å; L372-H374 PolarHBondContact O-N 3.05Å; H374-I376 VanDerWaalsContact C-N 3.31Å; H374-I376 PolarHBondContact O-N 2.92Å; H374-T377 WeakPolarHBondContact CA-OG1 3.5Å; H374-T377 PolarHBondContact O-N 3.08Å; H374-T377 VanDerWaalsContact O-N 3.08Å; H374-T377 PolarHBondContact O-OG1 3.4Å; H374-D378 WeakPolarHBondContact O-CB 3.4Å; H374-D378 PolarHBondContact O-N 3.32Å
375A91.5Very high89.4Confident0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-64.9-39.7-175.400000111.2L149 V244 T371 L372 M373 D378 I379L149-A375 HydrophobicContact CD1-CB 3.73Å; V244-A375 HydrophobicContact CG2-CB 4.11Å; T371-A375 WeakPolarHBondContact O-CB 3.47Å; T371-A375 PolarHBondContact O-N 2.97Å; L372-A375 WeakPolarHBondContact O-CB 3.28Å; L372-A375 PolarHBondContact O-N 2.87Å; M373-A375 VanDerWaalsContact C-N 3.3Å; M373-A375 PolarHBondContact O-N 3.28Å; A375-D378 PolarHBondContact O-N 3.41Å; A375-I379 HydrophobicContact CB-CD1 4.39Å; A375-I379 WeakPolarHBondContact O-CB 3.36Å; A375-I379 PolarHBondContact O-N 3.26Å
376I92.9Very high89.1Confident0 Ų023 Ų230%014%0.137CC..Hα-helixtrans-60.3-46.9171.3-68.3164000110.9R19 V21 V95 I121 L372 M373 H374 D378 C380R19-I376 HydrophobicContact CB-CG2 3.94Å; R19-I376 HydrophobicContact CG-CG2 4.18Å; V21-I376 HydrophobicContact CG2-CG1 4.32Å; V21-I376 HydrophobicContact CG2-CG2 3.7Å; V95-I376 HydrophobicContact CG1-CD1 4.17Å; V95-I376 HydrophobicContact CG1-CG2 4.01Å; V95-I376 HydrophobicContact CG2-CG2 4.03Å; I121-I376 HydrophobicContact CD1-CD1 4.03Å; I121-I376 HydrophobicContact CD1-CG1 4.17Å; L372-I376 VanDerWaalsContact O-CG1 3.32Å; L372-I376 WeakPolarHBondContact O-CG1 3.4Å; L372-I376 PolarHBondContact O-N 3.06Å; M373-I376 PolarHBondContact O-N 2.87Å; H374-I376 VanDerWaalsContact C-N 3.31Å; H374-I376 PolarHBondContact O-N 2.92Å; I376-D378 VanDerWaalsContact C-N 3.34Å; I376-D378 PolarHBondContact O-N 2.94Å; I376-C380 HydrophobicContact CG2-CB 4.38Å; I376-C380 WeakPolarHBondContact O-CB 3.28Å; I376-C380 PolarHBondContact O-N 2.8Å
377T90.2Very high88.6Confident10 Ų1022.7 Ų22.76%0.06114%0.136CC..Hα-helixtrans-69-30.2-179.954.80000114.1F78 Y93 M373 H374F78-T377 HydrophobicContact CD1-CG2 3.93Å; F78-T377 HydrophobicContact CE1-CG2 4.37Å; Y93-T377 HydrophobicContact CD1-CG2 4.03Å; Y93-T377 HydrophobicContact CD2-CG2 4.05Å; Y93-T377 HydrophobicContact CE1-CG2 4.42Å; Y93-T377 HydrophobicContact CE2-CG2 4.46Å; Y93-T377 HydrophobicContact CG-CG2 3.82Å; M373-T377 PolarHBondContact O-N 2.59Å; M373-T377 PolarHBondContact O-OG1 3.03Å; H374-T377 WeakPolarHBondContact CA-OG1 3.5Å; H374-T377 PolarHBondContact O-N 3.08Å; H374-T377 VanDerWaalsContact O-N 3.08Å; H374-T377 PolarHBondContact O-OG1 3.4Å
378D88.6Confident87.8Confident71 Ų7123.5 Ų23.538%0.3814%0.141SC..Hα-helixtrans-86.6-35.2-174.9-61.2-34000112.3R80 R255 H374 A375 I376R80-D378 IonicContact CZ-OD1 3.97Å; R80-D378 IonicContact NE-OD1 3.7Å; R80-D378 IonicContact NH2-OD1 3.64Å; R80-D378 PolarHBondContact NH2-OD1 2.92Å; R255-D378 IonicContact CZ-OD2 2.84Å; R255-D378 IonicContact NH1-OD2 3.78Å; R255-D378 IonicContact NH2-OD2 3.56Å; R255-D378 PolarHBondContact NH2-OD2 3.42Å; H374-D378 WeakPolarHBondContact O-CB 3.4Å; H374-D378 PolarHBondContact O-N 3.32Å; A375-D378 PolarHBondContact O-N 3.41Å; I376-D378 VanDerWaalsContact C-N 3.34Å; I376-D378 PolarHBondContact O-N 2.94Å
379I88.2Confident86.8Confident46 Ų4624.7 Ų24.724%0.23615%0.151CC..Hα-helixtrans-106.5-40.8-173.6-62.7152.8000112.6T147 L149 G241 N242 A375T147-I379 HydrophobicContact CG2-CG2 4.09Å; L149-I379 HydrophobicContact CD1-CD1 3.81Å; G241-I379 WeakPolarHBondContact O-CD1 3.44Å; N242-I379 HydrophobicContact CB-CD1 4.41Å; A375-I379 HydrophobicContact CB-CD1 4.39Å; A375-I379 WeakPolarHBondContact O-CB 3.36Å; A375-I379 PolarHBondContact O-N 3.26Å
380C88.3Confident85.7Confident6 Ų625 Ų254%0.04115%0.152CC..SBendtrans-73130.8-175-54.70000109.8R19 A119 I376R19-C380 WeakPolarHBondContact CD-O 3.46Å; R19-C380 PolarHBondContact NE-O 3.27Å; A119-C380 HydrophobicContact CB-CB 3.72Å; A119-C380 WeakPolarHBondContact CB-SG 3.02Å; I376-C380 HydrophobicContact CG2-CB 4.38Å; I376-C380 WeakPolarHBondContact O-CB 3.28Å; I376-C380 PolarHBondContact O-N 2.8Å
381P86.9Confident85.1Confident25 Ų2521.8 Ų21.816%0.16214%0.137CC..PPolyproline II helixtrans-66.1154.9176.626-34.1000111.8R19 T147 S385 A386R19-P381 WeakPolarHBondContact CD-O 3.43Å; T147-P381 VanDerWaalsContact OG1-CD 3.3Å; T147-P381 WeakPolarHBondContact OG1-CD 3.36Å; T147-P381 WeakPolarHBondContact OG1-CG 3.07Å; P381-S385 WeakPolarHBondContact CB-OG 3.39Å; P381-A386 HydrophobicContact CB-CB 3.97Å; P381-A386 HydrophobicContact CG-CB 3.64Å
382S87.5Confident84.4Confident20 Ų2021.6 Ų21.614%0.1414%0.136CC..PPolyproline II helixtrans-64.4150.7161.338.90000110.2S384 S385 A386S382-S384 PolarHBondContact O-N 3.38Å; S382-S384 VanDerWaalsContact O-N 3.09Å; S382-S385 PolarHBondContact N-OG 3.47Å; S382-S385 CarbonylContact O-C 3.51Å; S382-S385 PolarHBondContact O-N 3.11Å; S382-S385 PolarHBondContact O-OG 2.87Å; S382-S385 VanDerWaalsContact O-OG 3.1Å; S382-S385 PolarHBondContact OG-OG 3.05Å; S382-A386 WeakPolarHBondContact O-CB 3.4Å; S382-A386 PolarHBondContact O-N 3.41Å
383P85.9Confident83.4Confident0 Ų022 Ų220%014%0.139CC..Hα-helixtrans-53.7-35.2179.916.9-30000113.4V15 I18 S385 A386 V387V15-P383 HydrophobicContact CG1-CG 3.83Å; I18-P383 HydrophobicContact CB-CG 4.2Å; I18-P383 WeakPolarHBondContact O-CD 3.25Å; P383-S385 VanDerWaalsContact C-N 3.3Å; P383-S385 PolarHBondContact O-N 3.43Å; P383-A386 PolarHBondContact O-N 2.85Å; P383-V387 PolarHBondContact O-N 2.95Å
384S83.8Confident82.5Confident53 Ų5323.2 Ų23.237%0.37114%0.144SC..Hα-helixtrans-68.3-18.2175.454.10000115.5S382S382-S384 PolarHBondContact O-N 3.38Å; S382-S384 VanDerWaalsContact O-N 3.09Å
385S84.5Confident81.7Confident75 Ų7521.1 Ų21.152%0.52414%0.135SC..Hα-helixtrans-108.3-11.8172.658.60000113.1P381 S382 P383P381-S385 WeakPolarHBondContact CB-OG 3.39Å; S382-S385 PolarHBondContact N-OG 3.47Å; S382-S385 CarbonylContact O-C 3.51Å; S382-S385 PolarHBondContact O-N 3.11Å; S382-S385 PolarHBondContact O-OG 2.87Å; S382-S385 VanDerWaalsContact O-OG 3.1Å; S382-S385 PolarHBondContact OG-OG 3.05Å; P383-S385 VanDerWaalsContact C-N 3.3Å; P383-S385 PolarHBondContact O-N 3.43Å
386A81Confident80.7Confident10 Ų1021.2 Ų21.28%0.08314%0.135CC..Hα-helixtrans-82.9-24.3179.700000113.7D118 P381 S382 P383 S388 R391D118-A386 HydrophobicContact CB-CB 3.61Å; D118-A386 WeakPolarHBondContact OD1-CB 3.5Å; P381-A386 HydrophobicContact CB-CB 3.97Å; P381-A386 HydrophobicContact CG-CB 3.64Å; S382-A386 WeakPolarHBondContact O-CB 3.4Å; S382-A386 PolarHBondContact O-N 3.41Å; P383-A386 PolarHBondContact O-N 2.85Å; A386-S388 PolarHBondContact O-N 2.87Å; A386-R391 WeakPolarHBondContact O-CD 3.44Å; A386-R391 PolarHBondContact O-NH1 3.08Å
387V79.8Confident79.4Confident6 Ų621.5 Ų21.54%0.03614%0.136CC..SBendtrans-90.477.9177.1-176.20000108.5P383 A392 L437 F536P383-V387 PolarHBondContact O-N 2.95Å; V387-A392 HydrophobicContact CG1-CB 4.01Å; V387-L437 HydrophobicContact CG1-CB 4.12Å; V387-L437 WeakPolarHBondContact CG1-O 3.13Å; V387-F536 HydrophobicContact CG2-CD1 4.3Å; V387-F536 HydrophobicContact CG2-CE1 4.33Å
388S73.7Confident78.2Confident51 Ų5121.3 Ų21.336%0.35714%0.136SC..  trans-63.8159.6171.269.40000111A386 D390 R391 A392A386-S388 PolarHBondContact O-N 2.87Å; S388-D390 VanDerWaalsContact C-N 3.26Å; S388-D390 PolarHBondContact O-N 3.25Å; S388-R391 PolarHBondContact O-N 2.83Å; S388-R391 VanDerWaalsContact O-N 3.15Å; S388-R391 WeakPolarHBondContact OG-CB 3.44Å; S388-R391 PolarHBondContact OG-N 3.34Å; S388-A392 PolarHBondContact O-N 3.1Å
389A69.3Low76.6Confident25 Ų2522.4 Ų22.421%0.20714%0.142CC..Hα-helixtrans-57.5-39.6175.300000112.3A392 V393 I424 Q438A389-A392 PolarHBondContact O-N 3.09Å; A389-V393 WeakPolarHBondContact O-CB 3.48Å; A389-V393 WeakPolarHBondContact O-CG2 3.4Å; A389-V393 PolarHBondContact O-N 2.82Å; A389-I424 HydrophobicContact CB-CD1 3.59Å; A389-Q438 HydrophobicContact CB-CG 4.48Å
390D68.3Low74.7Confident9 Ų924.2 Ų24.25%0.04816%0.156CC..Hα-helixtrans-58.5-49.7175-17946.9000110.4R145 S388 A392 V393 H394 I424R145-D390 WeakPolarHBondContact CD-OD2 3.24Å; R145-D390 IonicContact CZ-OD2 3.09Å; R145-D390 IonicContact NE-OD2 3.47Å; R145-D390 PolarHBondContact NE-OD2 3.34Å; S388-D390 VanDerWaalsContact C-N 3.26Å; S388-D390 PolarHBondContact O-N 3.25Å; D390-A392 PolarHBondContact O-N 2.76Å; D390-V393 PolarHBondContact O-N 3.38Å; D390-H394 WeakPolarHBondContact O-CB 3.4Å; D390-H394 PolarHBondContact O-N 3.11Å; D390-I424 HydrophobicContact CB-CD1 3.98Å; D390-I424 VanDerWaalsContact N-CD1 3.25Å
391R79Confident72.8Confident0 Ų024.5 Ų24.50%016%0.157CC..Hα-helixtrans-64.2-43.3179-167.5172.9-177.4-134.9-12.9112.1C117 D118 E144 R145 A386 S388 V393 M395C117-R391 PolarHBondContact O-NH2 2.98Å; D118-R391 IonicContact OD1-CZ 3.68Å; D118-R391 IonicContact OD1-NH1 2.77Å; D118-R391 PolarHBondContact OD1-NH1 2.95Å; D118-R391 IonicContact OD1-NH2 3.68Å; E144-R391 PolarHBondContact O-NE 3.16Å; R145-R391 HydrophobicContact CB-CB 4.17Å; R145-R391 HydrophobicContact CB-CG 4.11Å; A386-R391 WeakPolarHBondContact O-CD 3.44Å; A386-R391 PolarHBondContact O-NH1 3.08Å; S388-R391 PolarHBondContact O-N 2.83Å; S388-R391 VanDerWaalsContact O-N 3.15Å; S388-R391 WeakPolarHBondContact OG-CB 3.44Å; S388-R391 PolarHBondContact OG-N 3.34Å; R391-V393 VanDerWaalsContact C-N 3.33Å; R391-V393 PolarHBondContact O-N 3.08Å; R391-M395 HydrophobicContact CG-CG 4.42Å; R391-M395 HydrophobicContact CG-SD 4.28Å; R391-M395 WeakPolarHBondContact O-CB 3.4Å; R391-M395 WeakPolarHBondContact O-CG 3.46Å; R391-M395 PolarHBondContact O-N 2.85Å
392A77.2Confident70.8Confident0 Ų027.2 Ų27.20%017%0.17CC..Hα-helixtrans-62.2-38.5177.100000112.6V387 S388 A389 D390 L396 L437 Q438V387-A392 HydrophobicContact CG1-CB 4.01Å; S388-A392 PolarHBondContact O-N 3.1Å; A389-A392 PolarHBondContact O-N 3.09Å; D390-A392 PolarHBondContact O-N 2.76Å; A392-L396 WeakPolarHBondContact O-CG 3.48Å; A392-L396 PolarHBondContact O-N 2.89Å; A392-L437 HydrophobicContact CB-CB 4.11Å; A392-L437 HydrophobicContact CB-CD1 4.22Å; A392-Q438 HydrophobicContact CB-CG 4.11Å
393V71.6Confident68.4Low9 Ų931.8 Ų31.86%0.05520%0.2CC..Hα-helixtrans-72.2-50.3177.3170.90000111.1A389 D390 R391 M395 L396 Y397A389-V393 WeakPolarHBondContact O-CB 3.48Å; A389-V393 WeakPolarHBondContact O-CG2 3.4Å; A389-V393 PolarHBondContact O-N 2.82Å; D390-V393 PolarHBondContact O-N 3.38Å; R391-V393 VanDerWaalsContact C-N 3.33Å; R391-V393 PolarHBondContact O-N 3.08Å; V393-M395 PolarHBondContact O-N 2.93Å; V393-L396 PolarHBondContact O-N 3.05Å; V393-Y397 HydrophobicContact CB-CD2 4.48Å; V393-Y397 HydrophobicContact CG1-CD2 4.07Å; V393-Y397 PolarHBondContact O-N 3.06Å
394H72.5Confident66.1Low25 Ų2536.7 Ų36.712%0.11623%0.227CC..Hα-helixtrans-56.7-37.4174171.184.5000111.2D390 G398 D399D390-H394 WeakPolarHBondContact O-CB 3.4Å; D390-H394 PolarHBondContact O-N 3.11Å; H394-G398 VanDerWaalsContact O-CA 3.24Å; H394-G398 WeakPolarHBondContact O-CA 3.33Å; H394-G398 PolarHBondContact O-N 2.97Å; H394-D399 IonicContact CE1-OD1 3.64Å; H394-D399 PolarHBondContact CE1-OD1 3.05Å; H394-D399 VanDerWaalsContact CE1-OD1 3.24Å; H394-D399 IonicContact ND1-OD1 2.6Å; H394-D399 PolarHBondContact ND1-OD1 3.15Å
395M74.8Confident63.9Low3 Ų336.5 Ų36.52%0.01523%0.225CC..Hα-helixtrans-61.3-60.2173.9-77.6-176.879.700111.7R115 R391 V393 F536 L709R115-M395 PolarHBondContact NH2-O 3.35Å; R115-M395 VanDerWaalsContact NH2-O 3.09Å; R391-M395 HydrophobicContact CG-CG 4.42Å; R391-M395 HydrophobicContact CG-SD 4.28Å; R391-M395 WeakPolarHBondContact O-CB 3.4Å; R391-M395 WeakPolarHBondContact O-CG 3.46Å; R391-M395 PolarHBondContact O-N 2.85Å; V393-M395 PolarHBondContact O-N 2.93Å; M395-F536 HydrophobicContact CE-CE1 3.83Å; M395-F536 HydrophobicContact CE-CE2 3.86Å; M395-F536 HydrophobicContact CE-CZ 3.32Å; M395-F536 HydrophobicContact SD-CE1 4.28Å; M395-F536 HydrophobicContact SD-CZ 4.32Å; M395-L709 VanDerWaalsContact C-CD2 3.44Å; M395-L709 HydrophobicContact CB-CD2 3.91Å; M395-L709 HydrophobicContact CE-CD2 4.39Å; M395-L709 WeakPolarHBondContact O-CD2 3.21Å
396L71.5Confident61.7Low2 Ų235.7 Ų35.71%0.0122%0.223CC..Hα-helixtrans-75.8-24.4-171.3-70.2175.7000115.5A392 V393 A433 L437 V706 L707 L709A392-L396 WeakPolarHBondContact O-CG 3.48Å; A392-L396 PolarHBondContact O-N 2.89Å; V393-L396 PolarHBondContact O-N 3.05Å; L396-A433 HydrophobicContact CD1-CB 3.66Å; L396-L437 HydrophobicContact CD1-CD1 3.59Å; L396-L437 HydrophobicContact CD1-CG 4.36Å; L396-L437 HydrophobicContact CD2-CD1 3.94Å; L396-L437 HydrophobicContact CG-CD1 3.59Å; L396-V706 HydrophobicContact CB-CG1 4.19Å; L396-V706 HydrophobicContact CD2-CG1 3.92Å; L396-L707 PolarHBondContact O-N 2.65Å; L396-L709 HydrophobicContact CD2-CD1 4.26Å; L396-L709 HydrophobicContact CD2-CG 4.33Å
397Y65.4Low59.4Low5 Ų541 Ų412%0.0225%0.25CC..Hα-helixtrans-127.5-10.4-170.9-55.6-78.3000114.3V393 T400 V401 T431 A704 V706V393-Y397 HydrophobicContact CB-CD2 4.48Å; V393-Y397 HydrophobicContact CG1-CD2 4.07Å; V393-Y397 PolarHBondContact O-N 3.06Å; Y397-T400 PolarHBondContact O-OG1 2.91Å; Y397-T400 VanDerWaalsContact O-OG1 3.04Å; Y397-V401 HydrophobicContact CG-CG2 4.28Å; Y397-T431 WeakPolarHBondContact OH-CB 3.39Å; Y397-T431 WeakPolarHBondContact OH-CG2 2.98Å; Y397-T431 PolarHBondContact OH-OG1 3.13Å; Y397-A704 HydrophobicContact CD1-CB 4.26Å; Y397-A704 WeakPolarHBondContact CE1-O 3.35Å; Y397-V706 HydrophobicContact CE1-CB 4.2Å; Y397-V706 HydrophobicContact CE1-CG2 3.59Å; Y397-V706 WeakPolarHBondContact OH-CG2 3.07Å
398G63.9Low57.2Low6 Ų645.1 Ų45.16%0.06228%0.275CS..  trans65.7-175.3-174.700000114.3H394 T400H394-G398 VanDerWaalsContact O-CA 3.24Å; H394-G398 WeakPolarHBondContact O-CA 3.33Å; H394-G398 PolarHBondContact O-N 2.97Å; G398-T400 PolarHBondContact O-N 3.13Å
399D55.7Low55Low94 Ų9452.8 Ų52.850%0.50330%0.302SS..G310 helixtrans-67.1-16.8-179.7-58.8-34.6000113.4H394 V401 L402H394-D399 IonicContact CE1-OD1 3.64Å; H394-D399 PolarHBondContact CE1-OD1 3.05Å; H394-D399 VanDerWaalsContact CE1-OD1 3.24Å; H394-D399 IonicContact ND1-OD1 2.6Å; H394-D399 PolarHBondContact ND1-OD1 3.15Å; D399-V401 PolarHBondContact O-N 2.88Å; D399-L402 PolarHBondContact O-N 3.44Å; D399-L402 VanDerWaalsContact O-N 3.12Å
400T48.9Very low53.4Low85 Ų8559.8 Ų59.852%0.52133%0.33SS..G310 helixtrans-58.2-19.1-178.225.70000115Y397 G398Y397-T400 PolarHBondContact O-OG1 2.91Å; Y397-T400 VanDerWaalsContact O-OG1 3.04Å; G398-T400 PolarHBondContact O-N 3.13Å
401V48Very low51.5Low11 Ų1167.6 Ų67.67%0.06737%0.372CS..G310 helixtrans-88-18-179.3171.30000113.4Y397 D399 C403 D404 Y428 A704Y397-V401 HydrophobicContact CG-CG2 4.28Å; D399-V401 PolarHBondContact O-N 2.88Å; V401-C403 PolarHBondContact O-N 3.25Å; V401-C403 VanDerWaalsContact O-N 3.14Å; V401-D404 PolarHBondContact O-N 3.26Å; V401-Y428 HydrophobicContact CG1-CD1 3.92Å; V401-Y428 HydrophobicContact CG1-CD2 3.47Å; V401-Y428 VanDerWaalsContact CG1-CD2 3.47Å; V401-Y428 HydrophobicContact CG1-CE1 3.81Å; V401-Y428 HydrophobicContact CG1-CE2 3.35Å; V401-Y428 HydrophobicContact CG1-CG 3.75Å; V401-Y428 HydrophobicContact CG2-CE1 4.3Å; V401-A704 HydrophobicContact CG2-CB 4Å
402L45.4Very low49Very low82 Ų8272.6 Ų72.643%0.42940%0.402SS..THydrogen-bonded Turntrans-69.6-10.7-176.4-68.1175.6000114.4D399 V422D399-L402 PolarHBondContact O-N 3.44Å; D399-L402 VanDerWaalsContact O-N 3.12Å; L402-V422 HydrophobicContact CD2-CG1 4.14Å
403C37.4Very low46.9Very low116 Ų11678.7 Ų78.778%0.78444%0.442SS*.THydrogen-bonded Turntrans-87.6-17176.1-93.80000115.2V401 S405V401-C403 PolarHBondContact O-N 3.25Å; V401-C403 VanDerWaalsContact O-N 3.14Å; C403-S405 VanDerWaalsContact C-N 3.32Å; C403-S405 PolarHBondContact O-N 3.28Å
404D36.5Very low44.9Very low103 Ų10384.7 Ų84.755%0.55147%0.473SS*.  trans-9125.9-168-89.4-13.1000114.6V401 A406V401-D404 PolarHBondContact O-N 3.26Å; D404-A406 PolarHBondContact O-N 3.03Å
405S38Very low42.7Very low49 Ų4989 Ų8934%0.34350%0.503SS..THydrogen-bonded Turntrans-67.36.4179.9-53.60000115.5C403 L407 N425C403-S405 VanDerWaalsContact C-N 3.32Å; C403-S405 PolarHBondContact O-N 3.28Å; S405-L407 VanDerWaalsContact C-N 3.27Å; S405-L407 PolarHBondContact O-N 3Å; S405-N425 WeakPolarHBondContact CA-ND2 3.2Å; S405-N425 PolarHBondContact OG-ND2 3.21Å
406A37.4Very low40.7Very low58 Ų5895.9 Ų95.948%0.47954%0.538SS..THydrogen-bonded Turntrans-77.52.3-168.600000115.6M202 D404M202-A406 HydrophobicContact CE-CB 4.12Å; D404-A406 PolarHBondContact O-N 3.03Å
407L33.9Very low38.7Very low123 Ų123101.8 Ų101.864%0.64457%0.57SS**  trans-134.938.7-161.1-71.8173.2000116.2S405 T701S405-L407 VanDerWaalsContact C-N 3.27Å; S405-L407 PolarHBondContact O-N 3Å; L407-T701 HydrophobicContact CD1-CG2 4.46Å
408T32.9Very low37.1Very low92 Ų92110.3 Ų110.356%0.56461%0.61SS**  trans-138.599.2161.748.60000113.2Q410 I427T408-Q410 PolarHBondContact O-N 3.1Å; T408-I427 HydrophobicContact CG2-CD1 4.28Å
409K28.3Very low35.9Very low212 Ų212116.1 Ų116.192%0.92264%0.644SS**  trans-88.480.3163.3-72.4-178.6177.5177.20110.4
410Q34Very low35.4Very low171 Ų171114.3 Ų114.380%0.79964%0.639SS**  trans-142.7116.4162.3-72.7-163.8-8.100110.9T408 T412T408-Q410 PolarHBondContact O-N 3.1Å; Q410-T412 PolarHBondContact O-N 3.07Å
411D28.4Very low35.4Very low173 Ų173114 Ų11493%0.92563%0.628SS**  trans-7590.6179-61.7-64.1000111
412T28.3Very low35.3Very low105 Ų105114.2 Ų114.264%0.64463%0.63SS**  trans-130.3131.2159.458.70000110.4Q410 I414Q410-T412 PolarHBondContact O-N 3.07Å; T412-I414 PolarHBondContact O-N 3.48Å
413P31.6Very low35.1Very low129 Ų129115.1 Ų115.184%0.83864%0.64SS**  trans-71.8104.4177.828.5-32.8000109.5
414I29.7Very low35.7Very low135 Ų135111.8 Ų111.869%0.69261%0.614SS**  trans-67.4127.3173.6-57.4172.9000108T412 I416T412-I414 PolarHBondContact O-N 3.48Å; I414-I416 PolarHBondContact O-N 3.5Å
415P26.8Very low36.2Very low116 Ų116108.6 Ų108.675%0.75360%0.597SS**  trans-64.5120.1170.627.1-32.4000108.9D417P415-D417 PolarHBondContact O-N 3.31Å
416I32.2Very low36.8Very low146 Ų146109.7 Ų109.775%0.74961%0.605SS**  trans-70.799.7175.5-58.2167.9000107.6I414 Q418I414-I416 PolarHBondContact O-N 3.5Å; I416-Q418 PolarHBondContact O-N 3.04Å
417D29.7Very low37.4Very low126 Ų126109.2 Ų109.267%0.67459%0.594SS**  trans-67.1119.9166-113-13.1000108P415 T419 S420P415-D417 PolarHBondContact O-N 3.31Å; D417-T419 PolarHBondContact O-N 2.9Å; D417-S420 PolarHBondContact O-N 3.11Å; D417-S420 PolarHBondContact O-OG 3.44Å
418Q32.3Very low38.3Very low185 Ų185104.2 Ų104.286%0.86457%0.566SS**THydrogen-bonded Turntrans-68.410.5-161.8-63.5174.8-1800115I416I416-Q418 PolarHBondContact O-N 3.04Å
419T38.9Very low39.3Very low128 Ų128101.1 Ų101.179%0.78555%0.548SS*.THydrogen-bonded Turntrans-116.8-13.4-176.457.40000113.6D417D417-T419 PolarHBondContact O-N 2.9Å
420S44.7Very low40.5Very low56 Ų5695.3 Ų95.339%0.39253%0.531SS..  trans-83.9117.5175.560.30000111.3D417 V422D417-S420 PolarHBondContact O-N 3.11Å; D417-S420 PolarHBondContact O-OG 3.44Å; S420-V422 PolarHBondContact O-N 3.01Å
421R49.5Very low41.8Very low78 Ų7888 Ų8829%0.29450%0.498SS..SBendtrans-72.2-10.6-179.4-64.4-176.6-174.6165.23.4114.5Q195Q195-R421 PolarHBondContact NE2-O 3.39Å
422V46.7Very low43.7Very low16 Ų1681.8 Ų81.810%0.09748%0.475CS..SBendtrans-142.2138.7-174.2-166.20000109.1L402 S420 I424L402-V422 HydrophobicContact CD2-CG1 4.14Å; S420-V422 PolarHBondContact O-N 3.01Å; V422-I424 PolarHBondContact O-N 3.46Å
423P40.3Very low46Very low101 Ų10176.9 Ų76.966%0.65645%0.445SS*.  trans-69.7109.1165.928.4-32.7000109.9
424I48.9Very low48.1Very low46 Ų4670.7 Ų70.724%0.23641%0.405CS..  trans-86.5132.1-176.1-52.1168.1000110.1A389 D390 V422 S426A389-I424 HydrophobicContact CB-CD1 3.59Å; D390-I424 HydrophobicContact CB-CD1 3.98Å; D390-I424 VanDerWaalsContact N-CD1 3.25Å; V422-I424 PolarHBondContact O-N 3.46Å; I424-S426 PolarHBondContact O-N 3.21Å; I424-S426 VanDerWaalsContact O-N 3.16Å
425N48.4Very low50.4Low35 Ų3568.7 Ų68.719%0.18740%0.395CS..  trans-58.5115.9166.2-73.2-29.1000110.1S405 I427 Y428S405-N425 WeakPolarHBondContact CA-ND2 3.2Å; S405-N425 PolarHBondContact OG-ND2 3.21Å; N425-I427 PolarHBondContact O-N 3.36Å; N425-Y428 HydrophobicContact CB-CD2 3.95Å; N425-Y428 HydrophobicContact CB-CE2 4.42Å; N425-Y428 PolarHBondContact O-N 3.45Å
426S50.1Low52.9Low72 Ų7263.5 Ų63.550%0.50336%0.362SS..Hα-helixtrans-58.8-20.4-173.764.60000114.6I424 Y428 S429 T430I424-S426 PolarHBondContact O-N 3.21Å; I424-S426 VanDerWaalsContact O-N 3.16Å; S426-Y428 VanDerWaalsContact C-N 3.29Å; S426-Y428 PolarHBondContact O-N 3.1Å; S426-S429 WeakPolarHBondContact CA-OG 3.08Å; S426-S429 PolarHBondContact O-N 3.44Å; S426-S429 PolarHBondContact O-OG 3.25Å; S426-S429 VanDerWaalsContact O-OG 3.11Å; S426-T430 WeakPolarHBondContact O-CB 3.36Å; S426-T430 VanDerWaalsContact O-CG2 3.3Å; S426-T430 WeakPolarHBondContact O-CG2 3.44Å; S426-T430 PolarHBondContact O-N 2.88Å; S426-T430 PolarHBondContact O-OG1 2.89Å
427I50.1Low55.3Low48 Ų4856.6 Ų56.625%0.24633%0.327CS..Hα-helixtrans-60.8-36.3175.8-57.8175.7000111.5T408 N425 T430 T701 L703T408-I427 HydrophobicContact CG2-CD1 4.28Å; N425-I427 PolarHBondContact O-N 3.36Å; I427-T430 PolarHBondContact O-OG1 2.85Å; I427-T701 HydrophobicContact CD1-CG2 4.05Å; I427-L703 HydrophobicContact CG2-CD2 3.67Å; I427-L703 HydrophobicContact CG2-CG 4.33Å
428Y53.3Low57.8Low18 Ų1853.3 Ų53.37%0.07131%0.307CS..Hα-helixtrans-87.4-30-179.3-65.8-73.9000113.3V401 N425 S426 T430 T431 S434 L703 A704V401-Y428 HydrophobicContact CG1-CD1 3.92Å; V401-Y428 HydrophobicContact CG1-CD2 3.47Å; V401-Y428 VanDerWaalsContact CG1-CD2 3.47Å; V401-Y428 HydrophobicContact CG1-CE1 3.81Å; V401-Y428 HydrophobicContact CG1-CE2 3.35Å; V401-Y428 HydrophobicContact CG1-CG 3.75Å; V401-Y428 HydrophobicContact CG2-CE1 4.3Å; N425-Y428 HydrophobicContact CB-CD2 3.95Å; N425-Y428 HydrophobicContact CB-CE2 4.42Å; N425-Y428 PolarHBondContact O-N 3.45Å; S426-Y428 VanDerWaalsContact C-N 3.29Å; S426-Y428 PolarHBondContact O-N 3.1Å; Y428-T430 VanDerWaalsContact C-N 3.26Å; Y428-T430 PolarHBondContact O-N 3.33Å; Y428-T431 PolarHBondContact O-OG1 2.73Å; Y428-S434 PolarHBondContact O-OG 3.46Å; Y428-L703 HydrophobicContact CD1-CD2 4.16Å; Y428-L703 HydrophobicContact CE1-CD2 4.13Å; Y428-A704 HydrophobicContact CE1-CB 3.83Å
429S53Low60.2Low27 Ų2747.5 Ų47.519%0.18929%0.287CS..Hα-helixtrans-71.1-23.7175.660.20000112.7S426 S434 Q438S426-S429 WeakPolarHBondContact CA-OG 3.08Å; S426-S429 PolarHBondContact O-N 3.44Å; S426-S429 PolarHBondContact O-OG 3.25Å; S426-S429 VanDerWaalsContact O-OG 3.11Å; S429-S434 PolarHBondContact O-OG 3.21Å; S429-Q438 PolarHBondContact O-NE2 3.11Å
430T53.1Low62.2Low90 Ų9041.7 Ų41.755%0.55225%0.252SS*.THydrogen-bonded Turntrans-89.60.4-178.650.30000115.4S426 I427 Y428S426-T430 WeakPolarHBondContact O-CB 3.36Å; S426-T430 VanDerWaalsContact O-CG2 3.3Å; S426-T430 WeakPolarHBondContact O-CG2 3.44Å; S426-T430 PolarHBondContact O-N 2.88Å; S426-T430 PolarHBondContact O-OG1 2.89Å; I427-T430 PolarHBondContact O-OG1 2.85Å; Y428-T430 VanDerWaalsContact C-N 3.26Å; Y428-T430 PolarHBondContact O-N 3.33Å
431T61.8Low64.1Low17 Ų1742.5 Ų42.510%0.10425%0.251CS..SBendtrans-68.3147.6176.973.20000112.1Y397 Y428 A433 S434 L435 L703Y397-T431 WeakPolarHBondContact OH-CB 3.39Å; Y397-T431 WeakPolarHBondContact OH-CG2 2.98Å; Y397-T431 PolarHBondContact OH-OG1 3.13Å; Y428-T431 PolarHBondContact O-OG1 2.73Å; T431-A433 VanDerWaalsContact C-N 3.31Å; T431-A433 PolarHBondContact O-N 3.19Å; T431-S434 PolarHBondContact N-OG 3.1Å; T431-S434 PolarHBondContact O-N 2.99Å; T431-S434 VanDerWaalsContact O-N 3.15Å; T431-S434 PolarHBondContact O-OG 2.98Å; T431-S434 WeakPolarHBondContact OG1-CB 3.03Å; T431-S434 PolarHBondContact OG1-N 3.14Å; T431-S434 PolarHBondContact OG1-OG 3.04Å; T431-L435 WeakPolarHBondContact O-CB 3.41Å; T431-L435 PolarHBondContact O-N 3.16Å; T431-L703 HydrophobicContact CG2-CD2 3.77Å
432G67.7Low65.7Low43 Ų4340.4 Ų40.444%0.44325%0.249SC..Hα-helixtrans-54.9-42.4-174.500000114A436G432-A436 VanDerWaalsContact O-CB 3.26Å; G432-A436 WeakPolarHBondContact O-CB 3.42Å; G432-A436 PolarHBondContact O-N 3.09Å
433A76.5Confident67.4Low2 Ų241.8 Ų41.82%0.01726%0.259CS..Hα-helixtrans-69.4-46175.600000113.2L396 T431 L435 A436 L437 L689L396-A433 HydrophobicContact CD1-CB 3.66Å; T431-A433 VanDerWaalsContact C-N 3.31Å; T431-A433 PolarHBondContact O-N 3.19Å; A433-L435 VanDerWaalsContact C-N 3.28Å; A433-L435 PolarHBondContact O-N 2.88Å; A433-A436 PolarHBondContact O-N 3.19Å; A433-L437 WeakPolarHBondContact O-CG 3.1Å; A433-L437 PolarHBondContact O-N 2.8Å; A433-L689 HydrophobicContact CB-CB 4.47Å; A433-L689 VanDerWaalsContact CB-O 3.28Å; A433-L689 WeakPolarHBondContact CB-O 3.19Å; A433-L689 PolarHBondContact N-O 3.45Å
434S76.3Confident69.3Low0 Ų042.5 Ų42.50%027%0.267CS..Hα-helixtrans-63.7-36.3179.763.40000111.8Y428 S429 T431 L437 Q438Y428-S434 PolarHBondContact O-OG 3.46Å; S429-S434 PolarHBondContact O-OG 3.21Å; T431-S434 PolarHBondContact N-OG 3.1Å; T431-S434 PolarHBondContact O-N 2.99Å; T431-S434 VanDerWaalsContact O-N 3.15Å; T431-S434 PolarHBondContact O-OG 2.98Å; T431-S434 WeakPolarHBondContact OG1-CB 3.03Å; T431-S434 PolarHBondContact OG1-N 3.14Å; T431-S434 PolarHBondContact OG1-OG 3.04Å; S434-L437 PolarHBondContact O-N 3.01Å; S434-Q438 WeakPolarHBondContact O-CB 3.41Å; S434-Q438 VanDerWaalsContact O-CG 3.27Å; S434-Q438 WeakPolarHBondContact O-CG 3.5Å; S434-Q438 PolarHBondContact O-N 2.83Å; S434-Q438 PolarHBondContact O-NE2 3.49Å
435L77.3Confident70.8Confident92 Ų9247.5 Ų47.548%0.48229%0.293SS..Hα-helixtrans-72.2-37.6178.2-142.1166.2000111.1T431 A433 Q438 S439T431-L435 WeakPolarHBondContact O-CB 3.41Å; T431-L435 PolarHBondContact O-N 3.16Å; A433-L435 VanDerWaalsContact C-N 3.28Å; A433-L435 PolarHBondContact O-N 2.88Å; L435-Q438 PolarHBondContact O-N 3.3Å; L435-S439 WeakPolarHBondContact O-CB 3.43Å; L435-S439 PolarHBondContact O-N 3.31Å; L435-S439 PolarHBondContact O-OG 3.28Å; L435-S439 VanDerWaalsContact O-OG 3.12Å
436A79.7Confident72.5Confident8 Ų846.4 Ų46.47%0.06629%0.289CS..Hα-helixtrans-67.4-34.5172.300000113.4G432 A433 S439 C440 P447 I449 S537G432-A436 VanDerWaalsContact O-CB 3.26Å; G432-A436 WeakPolarHBondContact O-CB 3.42Å; G432-A436 PolarHBondContact O-N 3.09Å; A433-A436 PolarHBondContact O-N 3.19Å; A436-S439 PolarHBondContact O-OG 3.18Å; A436-C440 PolarHBondContact O-N 3.03Å; A436-P447 HydrophobicContact CB-CG 3.83Å; A436-I449 HydrophobicContact CB-CD1 3.8Å; A436-S537 VanDerWaalsContact O-CB 3.26Å; A436-S537 WeakPolarHBondContact O-CB 3.34Å; A436-S537 PolarHBondContact O-OG 2.97Å
437L83Confident74.2Confident0 Ų044.5 Ų44.50%028%0.275CS..Hα-helixtrans-67.5-44.9171.8-70.9-173.9000111.7V387 A392 L396 A433 S434 C440 I449 F536V387-L437 HydrophobicContact CG1-CB 4.12Å; V387-L437 WeakPolarHBondContact CG1-O 3.13Å; A392-L437 HydrophobicContact CB-CB 4.11Å; A392-L437 HydrophobicContact CB-CD1 4.22Å; L396-L437 HydrophobicContact CD1-CD1 3.59Å; L396-L437 HydrophobicContact CD1-CG 4.36Å; L396-L437 HydrophobicContact CD2-CD1 3.94Å; L396-L437 HydrophobicContact CG-CD1 3.59Å; A433-L437 WeakPolarHBondContact O-CG 3.1Å; A433-L437 PolarHBondContact O-N 2.8Å; S434-L437 PolarHBondContact O-N 3.01Å; L437-C440 PolarHBondContact O-SG 2.82Å; L437-I449 HydrophobicContact CD2-CD1 4.49Å; L437-I449 HydrophobicContact CD2-CG2 4.12Å; L437-F536 HydrophobicContact CD2-CB 3.33Å; L437-F536 HydrophobicContact CD2-CD1 4.17Å; L437-F536 HydrophobicContact CD2-CD2 4.45Å; L437-F536 HydrophobicContact CD2-CG 3.76Å
438Q83Confident76.1Confident57 Ų5742.6 Ų42.627%0.26627%0.266SS..Hα-helixtrans-67.4-39.5179.5-76.116572.200112.7A389 A392 S429 S434 L435 C440A389-Q438 HydrophobicContact CB-CG 4.48Å; A392-Q438 HydrophobicContact CB-CG 4.11Å; S429-Q438 PolarHBondContact O-NE2 3.11Å; S434-Q438 WeakPolarHBondContact O-CB 3.41Å; S434-Q438 VanDerWaalsContact O-CG 3.27Å; S434-Q438 WeakPolarHBondContact O-CG 3.5Å; S434-Q438 PolarHBondContact O-N 2.83Å; S434-Q438 PolarHBondContact O-NE2 3.49Å; L435-Q438 PolarHBondContact O-N 3.3Å; Q438-C440 VanDerWaalsContact C-N 3.31Å; Q438-C440 PolarHBondContact O-N 2.68Å
439S81.2Confident77.8Confident64 Ų6442 Ų4245%0.44826%0.263SS..Hα-helixtrans-71.3-27.3-179.264.90000112.9L435 A436 D441L435-S439 WeakPolarHBondContact O-CB 3.43Å; L435-S439 PolarHBondContact O-N 3.31Å; L435-S439 PolarHBondContact O-OG 3.28Å; L435-S439 VanDerWaalsContact O-OG 3.12Å; A436-S439 PolarHBondContact O-OG 3.18Å; S439-D441 PolarHBondContact O-N 3.32Å
440C82Confident79.6Confident5 Ų540.7 Ų40.73%0.03425%0.254CS..  trans46.530-175.3-83.80000113.6A436 L437 Q438 F536 S662A436-C440 PolarHBondContact O-N 3.03Å; L437-C440 PolarHBondContact O-SG 2.82Å; Q438-C440 VanDerWaalsContact C-N 3.31Å; Q438-C440 PolarHBondContact O-N 2.68Å; C440-F536 PolarHBondContact SG-O 2.86Å; C440-F536 VanDerWaalsContact SG-O 3.35Å; C440-S662 WeakPolarHBondContact O-CB 3.4Å; C440-S662 PolarHBondContact O-OG 3.25Å
441D84.5Confident81.3Confident73 Ų7336.9 Ų36.939%0.3923%0.23SC..  trans-63.9139.3-178-175.318.4000110.8S439 S443 A446 G538S439-D441 PolarHBondContact O-N 3.32Å; D441-S443 WeakPolarHBondContact OD1-CB 3.5Å; D441-S443 PolarHBondContact OD1-N 2.73Å; D441-S443 VanDerWaalsContact OD2-CB 3.32Å; D441-S443 WeakPolarHBondContact OD2-CB 3.11Å; D441-S443 PolarHBondContact OD2-OG 3.06Å; D441-A446 HydrophobicContact CB-CB 3.92Å; D441-G538 WeakPolarHBondContact O-CA 3.38Å; D441-G538 PolarHBondContact O-N 2.97Å
442S83.1Confident82.6Confident34 Ų3436 Ų3624%0.23823%0.225CC..  trans-105.1-0.4179-39.40000113.3V15 P661 S662V15-S442 WeakPolarHBondContact CG2-OG 3.12Å; S442-P661 VanDerWaalsContact CB-CB 3.45Å; S442-P661 WeakPolarHBondContact OG-CB 3.16Å; S442-S662 PolarHBondContact OG-OG 2.64Å
443S82.1Confident83.3Confident45 Ų4534.3 Ų34.332%0.31521%0.206SC..SBendtrans-57.3152.6-178.276.20000111.9D441 L445 A446D441-S443 WeakPolarHBondContact OD1-CB 3.5Å; D441-S443 PolarHBondContact OD1-N 2.73Å; D441-S443 VanDerWaalsContact OD2-CB 3.32Å; D441-S443 WeakPolarHBondContact OD2-CB 3.11Å; D441-S443 PolarHBondContact OD2-OG 3.06Å; S443-L445 PolarHBondContact O-N 2.72Å; S443-L445 VanDerWaalsContact O-N 3.16Å; S443-A446 WeakPolarHBondContact O-CB 3.39Å; S443-A446 PolarHBondContact O-N 3.46Å; S443-A446 WeakPolarHBondContact OG-CB 3.47Å; S443-A446 PolarHBondContact OG-N 2.7Å
444S79.3Confident83.6Confident116 Ų11634.8 Ų34.881%0.81121%0.208SC*.THydrogen-bonded Turntrans-67.1-11.9177.254.60000113.7
445L81.7Confident84Confident152 Ų15234.9 Ų34.980%0.79621%0.209SC*.THydrogen-bonded Turntrans-93.4-16.5173.8-62.6175.1000112.3S443S443-L445 PolarHBondContact O-N 2.72Å; S443-L445 VanDerWaalsContact O-N 3.16Å
446A84.2Confident84.2Confident12 Ų1231 Ų3110%0.09919%0.188CC..SBendtrans-70.4140.4178.300000111D441 S443 T448D441-A446 HydrophobicContact CB-CB 3.92Å; S443-A446 WeakPolarHBondContact O-CB 3.39Å; S443-A446 PolarHBondContact O-N 3.46Å; S443-A446 WeakPolarHBondContact OG-CB 3.47Å; S443-A446 PolarHBondContact OG-N 2.7Å; A446-T448 PolarHBondContact O-N 3.49Å
447P85.7Confident84.1Confident31 Ų3131.7 Ų31.720%0.20119%0.189CC..PPolyproline II helixtrans-63.6126.8177.125.5-33.4000111.4A436 I449 S537 G538 S685 L689A436-P447 HydrophobicContact CB-CG 3.83Å; P447-I449 PolarHBondContact O-N 2.79Å; P447-S537 CarbonylContact O-C 3.48Å; P447-S537 VanDerWaalsContact O-C 3.32Å; P447-S537 WeakPolarHBondContact O-CB 3.44Å; P447-G538 PolarHBondContact O-N 2.82Å; P447-S685 WeakPolarHBondContact CA-OG 3.2Å; P447-L689 HydrophobicContact CB-CD1 3.3Å; P447-L689 HydrophobicContact CB-CD2 3.87Å; P447-L689 HydrophobicContact CB-CG 4.19Å; P447-L689 HydrophobicContact CG-CD1 4.18Å; P447-L689 HydrophobicContact CG-CD2 3.92Å
448T88.8Confident83.5Confident9 Ų932 Ų326%0.05519%0.191CC..PPolyproline II helixtrans-74.7123.4175.5-48.50000109.8A446 I450 S537 S539 V540 Q544 L546 V684 S685A446-T448 PolarHBondContact O-N 3.49Å; T448-I450 HydrophobicContact CG2-CD1 4.15Å; T448-I450 HydrophobicContact CG2-CG1 3.88Å; T448-S537 VanDerWaalsContact CA-O 3.32Å; T448-S537 WeakPolarHBondContact CA-O 3.42Å; T448-S539 PolarHBondContact OG1-O 3.17Å; T448-V540 HydrophobicContact CG2-CG2 3.89Å; T448-Q544 PolarHBondContact OG1-NE2 3.17Å; T448-L546 HydrophobicContact CG2-CD2 4.44Å; T448-V684 WeakPolarHBondContact O-CA 3.35Å; T448-S685 PolarHBondContact N-OG 2.6Å; T448-S685 PolarHBondContact O-N 3.27Å
449I89.8Confident82.6Confident4 Ų435.2 Ų35.22%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-129118.7174.1-56.5179.1000107.9A436 L437 P447 F536 S537 L682 L689A436-I449 HydrophobicContact CB-CD1 3.8Å; L437-I449 HydrophobicContact CD2-CD1 4.49Å; L437-I449 HydrophobicContact CD2-CG2 4.12Å; P447-I449 PolarHBondContact O-N 2.79Å; I449-F536 PolarHBondContact O-N 3.26Å; I449-S537 PolarHBondContact N-O 3Å; I449-S537 PolarHBondContact O-N 3.32Å; I449-L682 HydrophobicContact CG2-CD1 3.63Å; I449-L689 HydrophobicContact CG1-CD1 4.47Å
450I90.6Very high81.4Confident0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-127.1130.4-179.6-35.1171.9000109.4T448 A533 R534 V535 V540 L546 L668 L682 L683T448-I450 HydrophobicContact CG2-CD1 4.15Å; T448-I450 HydrophobicContact CG2-CG1 3.88Å; I450-A533 HydrophobicContact CG2-CB 3.74Å; I450-R534 WeakPolarHBondContact CA-O 3.1Å; I450-R534 VanDerWaalsContact CG2-O 3.25Å; I450-R534 WeakPolarHBondContact CG2-O 3.38Å; I450-V535 HydrophobicContact CG2-CG2 4.33Å; I450-V540 HydrophobicContact CD1-CB 4.4Å; I450-V540 HydrophobicContact CD1-CG1 4.01Å; I450-V540 HydrophobicContact CD1-CG2 3.42Å; I450-V540 VanDerWaalsContact CD1-CG2 3.42Å; I450-V540 HydrophobicContact CG1-CG2 3.91Å; I450-L546 HydrophobicContact CD1-CD1 3.46Å; I450-L546 VanDerWaalsContact CD1-CD1 3.46Å; I450-L546 HydrophobicContact CG1-CD1 4.43Å; I450-L668 HydrophobicContact CD1-CD1 4.06Å; I450-L668 HydrophobicContact CG2-CD1 4.26Å; I450-L682 VanDerWaalsContact O-CD1 3.29Å; I450-L682 WeakPolarHBondContact O-CD1 3.46Å; I450-L683 HydrophobicContact CB-CB 4.02Å; I450-L683 HydrophobicContact CB-CD1 4.26Å; I450-L683 HydrophobicContact CB-CG 4.39Å; I450-L683 HydrophobicContact CD1-CB 4.26Å; I450-L683 HydrophobicContact CD1-CD1 4.04Å; I450-L683 HydrophobicContact CG1-CB 4.29Å; I450-L683 PolarHBondContact N-O 2.75Å; I450-L683 PolarHBondContact O-N 3.35Å
451F89.1Confident79.9Confident10 Ų1038.4 Ų38.44%0.04422%0.217CC..EExtended strand (participates in β ladder)trans-97.4121.1170178.2-123.4000110R115 L116 A453 A533 R534 F536 L709R115-F451 HydrophobicContact CB-CE1 4.25Å; R115-F451 HydrophobicContact CG-CD1 4.19Å; R115-F451 HydrophobicContact CG-CE1 3.53Å; R115-F451 HydrophobicContact CG-CZ 4.17Å; L116-F451 HydrophobicContact CD2-CD1 4.46Å; F451-A453 HydrophobicContact CD1-CB 4.14Å; F451-A453 HydrophobicContact CE1-CB 3.66Å; F451-A453 HydrophobicContact CZ-CB 4.28Å; F451-A533 CarbonylContact O-C 3.53Å; F451-A533 WeakPolarHBondContact O-CA 3.46Å; F451-A533 WeakPolarHBondContact O-CB 2.94Å; F451-R534 PolarHBondContact N-O 2.85Å; F451-R534 PolarHBondContact O-N 3.37Å; F451-F536 HydrophobicContact CB-CD2 4.1Å; F451-F536 HydrophobicContact CB-CE2 3.7Å; F451-L709 HydrophobicContact CB-CD1 4.27Å; F451-L709 HydrophobicContact CD2-CB 3.45Å; F451-L709 VanDerWaalsContact CD2-CB 3.45Å; F451-L709 HydrophobicContact CD2-CD1 4.02Å; F451-L709 HydrophobicContact CD2-CG 4.34Å; F451-L709 HydrophobicContact CE2-CB 3.45Å; F451-L709 VanDerWaalsContact CE2-CB 3.45Å; F451-L709 HydrophobicContact CG-CB 4.41Å; F451-L709 HydrophobicContact CG-CD1 4.31Å; F451-L709 HydrophobicContact CZ-CB 4.4Å
452V88.3Confident77.9Confident0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-91.2115.6168.4178.40000108.1A531 A533 L677 S680 G681 L683V452-A531 HydrophobicContact CG1-CB 3.79Å; V452-A531 HydrophobicContact CG2-CB 4.41Å; V452-A533 HydrophobicContact CG2-CB 3.98Å; V452-L677 HydrophobicContact CB-CD1 4.44Å; V452-L677 HydrophobicContact CB-CD2 4.16Å; V452-L677 HydrophobicContact CG1-CD1 3.95Å; V452-L677 HydrophobicContact CG1-CD2 4.3Å; V452-L677 HydrophobicContact CG2-CD1 4.24Å; V452-L677 HydrophobicContact CG2-CD2 4.32Å; V452-S680 VanDerWaalsContact O-CA 3.32Å; V452-S680 WeakPolarHBondContact O-CA 3.49Å; V452-S680 VanDerWaalsContact O-CB 3.26Å; V452-S680 WeakPolarHBondContact O-CB 3.35Å; V452-G681 PolarHBondContact N-O 2.92Å; V452-G681 PolarHBondContact O-N 3.49Å; V452-L683 HydrophobicContact CG2-CD1 3.73Å; V452-L683 HydrophobicContact CG2-CD2 4.41Å; V452-L683 HydrophobicContact CG2-CG 3.94Å
453A83.4Confident75.6Confident6 Ų650 Ų505%0.0526%0.257CS..EExtended strand (participates in β ladder)trans-91.1-36.6-175.400000112.4T112 L116 F451 L532T112-A453 HydrophobicContact CG2-CB 3.66Å; L116-A453 HydrophobicContact CD1-CB 3.91Å; L116-A453 HydrophobicContact CD2-CB 3.81Å; L116-A453 HydrophobicContact CG-CB 3.82Å; F451-A453 HydrophobicContact CD1-CB 4.14Å; F451-A453 HydrophobicContact CE1-CB 3.66Å; F451-A453 HydrophobicContact CZ-CB 4.28Å; A453-L532 PolarHBondContact N-O 2.82Å
454K83.2Confident73.3Confident12 Ų1251.9 Ų51.95%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-158.2152-177.6-179.1-179.5-176.6-168.10111.2E109 T112 L532 A749E109-K454 IonicContact OE1-NZ 2.81Å; E109-K454 PolarHBondContact OE1-NZ 3.13Å; E109-K454 IonicContact OE2-NZ 3.4Å; E109-K454 PolarHBondContact OE2-NZ 3.48Å; T112-K454 HydrophobicContact CG2-CB 3.93Å; K454-L532 PolarHBondContact O-N 2.92Å; K454-A749 WeakPolarHBondContact CE-O 3.48Å
455V84Confident70.7Confident2 Ų251.7 Ų51.71%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-102.3136.5164.7-1740000109.6F529 I530 A531 I674 L677 A749V455-F529 HydrophobicContact CG1-CB 4.07Å; V455-F529 HydrophobicContact CG1-CD1 4.03Å; V455-I530 WeakPolarHBondContact CA-O 3.38Å; V455-A531 HydrophobicContact CG2-CB 4.35Å; V455-I674 HydrophobicContact CG1-CG2 4.06Å; V455-L677 HydrophobicContact CG2-CD1 4.47Å; V455-A749 WeakPolarHBondContact O-CA 3.23Å
456F81.2Confident68.1Low10 Ų1049.8 Ų49.84%0.04426%0.257CS..EExtended strand (participates in β ladder)trans-126.3166.3170.266.4-83000110.1T458 F529 I530 L532 L646 Q650 F653F456-T458 HydrophobicContact CD2-CG2 4Å; F456-T458 HydrophobicContact CE2-CG2 3.7Å; F456-F529 CarbonylContact O-C 3.6Å; F456-F529 WeakPolarHBondContact O-CA 3.36Å; F456-I530 HydrophobicContact CD1-CB 4.29Å; F456-I530 VanDerWaalsContact CD1-O 3.26Å; F456-I530 WeakPolarHBondContact CD1-O 3.25Å; F456-I530 HydrophobicContact CD2-CB 4.42Å; F456-I530 HydrophobicContact CE1-CB 3.77Å; F456-I530 HydrophobicContact CE1-CG2 3.7Å; F456-I530 HydrophobicContact CE2-CB 3.93Å; F456-I530 HydrophobicContact CE2-CD1 3.8Å; F456-I530 HydrophobicContact CE2-CG1 4.28Å; F456-I530 HydrophobicContact CE2-CG2 4.39Å; F456-I530 HydrophobicContact CZ-CB 3.57Å; F456-I530 HydrophobicContact CZ-CD1 3.9Å; F456-I530 HydrophobicContact CZ-CG1 4.27Å; F456-I530 HydrophobicContact CZ-CG2 3.57Å; F456-I530 PolarHBondContact N-O 3.4Å; F456-I530 PolarHBondContact O-N 3.22Å; F456-L532 HydrophobicContact CD1-CB 4.17Å; F456-L532 HydrophobicContact CE1-CB 3.99Å; F456-L646 HydrophobicContact CZ-CD2 4.27Å; F456-Q650 HydrophobicContact CD2-CG 4.46Å; F456-Q650 HydrophobicContact CE2-CB 4.43Å; F456-Q650 HydrophobicContact CE2-CG 4.41Å; F456-F653 HydrophobicContact CE2-CE1 4.1Å; F456-F653 AromaticContact CE2-CZ 3.87Å; F456-F653 HydrophobicContact CE2-CZ 3.87Å; F456-F653 AromaticContact CZ-CE1 3.95Å; F456-F653 HydrophobicContact CZ-CE1 3.95Å; F456-F653 HydrophobicContact CZ-CZ 4.21Å
457W78.7Confident65.6Low23 Ų2356.5 Ų56.59%0.08729%0.289CS..EExtended strand (participates in β ladder)trans-111.8156.2179.665100.9000110.3D528 F529 A749 D779 H783 F784W457-D528 CarbonylContact C-O 3.52Å; W457-D528 WeakPolarHBondContact CA-O 3.41Å; W457-F529 HydrophobicContact CB-CD1 4.11Å; W457-F529 HydrophobicContact CB-CE1 3.96Å; W457-F529 HydrophobicContact CB-CZ 4.32Å; W457-A749 HydrophobicContact CE3-CB 4.05Å; W457-A749 HydrophobicContact CZ3-CB 3.88Å; W457-D779 HydrophobicContact CH2-CB 4.03Å; W457-D779 VanDerWaalsContact CH2-CG 3.49Å; W457-D779 WeakPolarHBondContact CH2-OD2 3.45Å; W457-D779 HydrophobicContact CZ2-CB 4.15Å; W457-D779 WeakPolarHBondContact CZ2-OD1 3.47Å; W457-H783 AromaticContact CD1-CG 3.91Å; W457-H783 AromaticContact CD1-ND1 3.97Å; W457-H783 AromaticContact CE2-CD2 3.69Å; W457-H783 AromaticContact CE2-CG 3.76Å; W457-H783 HydrophobicContact CZ2-CB 4.3Å; W457-H783 AromaticContact CZ2-CD2 3.53Å; W457-H783 AromaticContact NE1-CD2 3.31Å; W457-H783 PolarHBondContact NE1-CD2 2.94Å; W457-H783 VanDerWaalsContact NE1-CD2 3.31Å; W457-H783 AromaticContact NE1-CE1 3.67Å; W457-H783 AromaticContact NE1-CG 3.04Å; W457-H783 AromaticContact NE1-ND1 3.3Å; W457-H783 PolarHBondContact NE1-ND1 3.09Å; W457-H783 AromaticContact NE1-NE2 3.68Å; W457-F784 AromaticContact CD2-CE1 3.91Å; W457-F784 HydrophobicContact CD2-CE1 3.91Å; W457-F784 AromaticContact CD2-CZ 3.89Å; W457-F784 HydrophobicContact CD2-CZ 3.89Å; W457-F784 AromaticContact CE3-CE1 3.83Å; W457-F784 HydrophobicContact CE3-CE1 3.83Å; W457-F784 AromaticContact CE3-CZ 3.46Å; W457-F784 HydrophobicContact CE3-CZ 3.46Å; W457-F784 VanDerWaalsContact CE3-CZ 3.46Å; W457-F784 HydrophobicContact CG-CE1 4.25Å; W457-F784 HydrophobicContact CH2-CE2 4.21Å; W457-F784 AromaticContact CH2-CZ 3.83Å; W457-F784 HydrophobicContact CH2-CZ 3.83Å; W457-F784 HydrophobicContact CZ2-CZ 4.23Å; W457-F784 HydrophobicContact CZ3-CE1 4.3Å; W457-F784 HydrophobicContact CZ3-CE2 4.22Å; W457-F784 AromaticContact CZ3-CZ 3.47Å; W457-F784 HydrophobicContact CZ3-CZ 3.47Å; W457-F784 VanDerWaalsContact CZ3-CZ 3.47Å
458T69.4Low62.7Low8 Ų861.6 Ų61.65%0.04932%0.32CS..EExtended strand (participates in β ladder)trans-141.1145174.957.70000109.4F456 K460 T527 D528 I530 Q650 F653F456-T458 HydrophobicContact CD2-CG2 4Å; F456-T458 HydrophobicContact CE2-CG2 3.7Å; T458-K460 PolarHBondContact O-N 2.66Å; T458-T527 WeakPolarHBondContact O-CA 3.39Å; T458-D528 PolarHBondContact N-O 3.36Å; T458-D528 PolarHBondContact O-N 2.92Å; T458-D528 PolarHBondContact OG1-O 3.05Å; T458-I530 HydrophobicContact CG2-CD1 3.58Å; T458-I530 HydrophobicContact CG2-CG1 4.37Å; T458-Q650 WeakPolarHBondContact CG2-O 3.41Å; T458-F653 HydrophobicContact CG2-CE2 3.72Å; T458-F653 HydrophobicContact CG2-CZ 3.62Å
459D64Low59.7Low124 Ų12466.3 Ų66.366%0.66335%0.353SS*.EExtended strand (participates in β ladder)trans-55.2137.4162.4-62.1-16.3000108.6L461D459-L461 PolarHBondContact O-N 3.08Å
460K56.5Low56.6Low102 Ų10272.9 Ų72.944%0.44339%0.389SS..SBendtrans-34.3120.8-176.1-134.6-176.7-161.1150.50111T458 R462 T525 D526T458-K460 PolarHBondContact O-N 2.66Å; K460-R462 PolarHBondContact O-N 2.83Å; K460-T525 WeakPolarHBondContact CE-O 3.34Å; K460-T525 PolarHBondContact NZ-O 2.8Å; K460-D526 HydrophobicContact CB-CB 4.33Å; K460-D526 WeakPolarHBondContact CB-O 3.36Å; K460-D526 HydrophobicContact CD-CB 4.32Å; K460-D526 PolarHBondContact N-O 2.98Å; K460-D526 IonicContact NZ-OD1 2.98Å; K460-D526 PolarHBondContact NZ-OD1 2.81Å
461L51.5Low53.5Low34 Ų3479.4 Ų79.418%0.17843%0.431CS..  trans-46.1111-171.2-72.3170.8000110.3D459 L463 D528 F653D459-L461 PolarHBondContact O-N 3.08Å; L461-L463 PolarHBondContact O-N 2.67Å; L461-D528 PolarHBondContact N-OD2 2.89Å; L461-F653 HydrophobicContact CD2-CB 4.21Å; L461-F653 HydrophobicContact CD2-CD2 3.47Å; L461-F653 VanDerWaalsContact CD2-CD2 3.47Å; L461-F653 HydrophobicContact CD2-CE2 4.15Å; L461-F653 HydrophobicContact CD2-CG 4.05Å
462R41.3Very low50.6Low237 Ų23783.3 Ų83.389%0.89447%0.465SS*.  trans-67.976.5168.5-75.2-169.6-178.1-169.11.2108.3K460 T464K460-R462 PolarHBondContact O-N 2.83Å; R462-T464 PolarHBondContact O-N 2.97Å
463L34.9Very low47.6Very low112 Ų11287.9 Ų87.959%0.58650%0.497SS*.  trans-51.6100.8169.7-83.6155.9000107.2L461 S465 K655L461-L463 PolarHBondContact O-N 2.67Å; L463-S465 PolarHBondContact O-N 2.98Å; L463-K655 HydrophobicContact CD2-CD 4.24Å
464T33.1Very low45Very low86 Ų8694.5 Ų94.553%0.52853%0.53SS..  trans-57.5111.9171.749.70000107.3R5 R462 N466R5-T464 PolarHBondContact NH2-OG1 2.82Å; R462-T464 PolarHBondContact O-N 2.97Å; T464-N466 PolarHBondContact O-N 3.31Å
465S25.8Very low42.3Very low112 Ų112101.1 Ų101.178%0.78357%0.566SS**SBendtrans-58.592.4-175.751.80000110.4L463L463-S465 PolarHBondContact O-N 2.98Å
466N27.6Very low39.5Very low112 Ų112107.1 Ų107.160%0.59960%0.603SS**  trans-148.616.7-176.9-80.5-60.5000112.5T464T464-N466 PolarHBondContact O-N 3.31Å
467I30.2Very low37Very low153 Ų153116.7 Ų116.779%0.78564%0.644SS**  trans-118.163.6174.1-49.6-179.4000109
468T25.9Very low34.5Very low138 Ų138123.3 Ų123.385%0.84768%0.676SS**  trans-156.559167.330.50000110.5
469S25.7Very low32.3Very low108 Ų108129.7 Ų129.776%0.75571%0.705SS**SBendtrans-144.1135.7155.657.80000109.9
470N24Very low30.5Very low142 Ų142130.2 Ų130.276%0.75971%0.708SS**  trans-65.3132.6-167.2-70.2-29000112.5A472N470-A472 PolarHBondContact O-N 3.24Å
471P25.7Very low29.2Very low137 Ų137131.3 Ų131.389%0.8972%0.724SS**THydrogen-bonded Turntrans-79.769.1171.534.5-34.6000110.3
472A28.2Very low28.1Very low91 Ų91136.7 Ų136.775%0.75275%0.753SS**THydrogen-bonded Turntrans-149.71-176.300000115.9N470N470-A472 PolarHBondContact O-N 3.24Å
473S25.8Very low27.5Very low96 Ų96130.4 Ų130.467%0.67175%0.745SS**  trans-147.9154.4-176.463.20000114.3
474I27.5Very low27.2Very low146 Ų146133 Ų13375%0.74976%0.759SS**  trans81.471.3170.6-45.3167.9000114.6
475N26.8Very low26.9Very low150 Ų150132.4 Ų132.480%0.80277%0.77SS**  trans-58.2157.5130-82.5-36.9000110.2
476T25.8Very low27.1Very low129 Ų129135.6 Ų135.679%0.79178%0.777SS**  trans59.198.6166.955.30000117.8
477K28.7Very low26.9Very low211 Ų211135.3 Ų135.392%0.91778%0.784SS**  -156.9125.6126.6-110.4166.7-173.8-179.50111.1
478Q26.5Very low27.1Very low162 Ų162133.6 Ų133.676%0.75778%0.782SS**  trans-78.1148.3176.4-80.3168.5-85.800111.7
479E21.8Very low27.2Very low142 Ų142132.2 Ų132.266%0.66478%0.778SS**  trans61.5149.1135.1-64.8166.4-151.700122.8
480N26.4Very low27Very low134 Ų134132.4 Ų132.472%0.71778%0.778SS**  trans96.5142.7145.8-64.4-35.9000122.2
481T30Very low27.3Very low126 Ų126132.4 Ų132.477%0.77378%0.778SS**  trans68.697.1160.147.90000120.4
482D28.3Very low27.3Very low147 Ų147132 Ų13279%0.78677%0.774SS**  32.4137.3107.2-60.6-34.8000122.2
483S29Very low27.4Very low105 Ų105132 Ų13273%0.73477%0.773SS**  trans71.9122.8143.661.40000121.7
484D27.6Very low27.7Very low166 Ų166134.1 Ų134.189%0.88878%0.777SS**  trans52.9113.2139.2-62.4-15.6000121.7
485G27Very low27.9Very low73 Ų73132.9 Ų132.975%0.75378%0.777SS**  93.69112900000117.6
486I30.2Very low28.2Very low180 Ų180132.7 Ų132.792%0.92378%0.775SS**  trans-143.9129.2145.8-90126.1000108.5
487S23.9Very low28.6Very low106 Ų106131.2 Ų131.274%0.74177%0.766SS**  trans-101.9-157.4170.751.30000109.8
488P34.6Very low28.8Very low117 Ų117127.2 Ų127.276%0.7676%0.755SS**  -103.3171.8-107.540.9-27.7000114.8
489S26.9Very low28.9Very low108 Ų108124.7 Ų124.776%0.75575%0.747SS**  trans-174.4124.5158.442.50000108
490C23.2Very low29.4Very low113 Ų113126.1 Ų126.176%0.76475%0.753SS**  95.7149.162.3-76.40000113.2
491D28.9Very low29.6Very low141 Ų141124.7 Ų124.775%0.75475%0.753SS**  trans97.797.8163.5-52.8-30.4000117.9
492T26.2Very low29.3Very low130 Ų130123.7 Ų123.780%0.79875%0.751SS**  87.8104.259.957.70000115.5
493A30.9Very low29.3Very low89 Ų89124.7 Ų124.774%0.73675%0.751SS**  trans166.6140142.500000109.8
494N31.7Very low29.3Very low141 Ų141126.3 Ų126.375%0.75475%0.75SS**  cis-165.1151.5-14.7-101-21.4000108.3
495T32.5Very low29.2Very low121 Ų121126.5 Ų126.574%0.74275%0.746SS**  trans55.7136.9158.153.10000118.7
496D32.8Very low29.3Very low145 Ų145128.8 Ų128.878%0.77575%0.75SS**  cis-177.2165.92.7-112.78.3000107.5
497V34.4Very low29.1Very low99 Ų99125.5 Ų125.560%0.674%0.743SS**  cis-160.3148.2-3.593.40000110
498N31.8Very low29.2Very low126 Ų126128.6 Ų128.667%0.67475%0.75SS**  trans53.7151.1155.3-60.5-16.1000122.5
499N29.8Very low28.8Very low110 Ų110128 Ų12859%0.58875%0.746SS**  cis-172.1156.1-19.1-106.9-19.2000111.2
500H32.2Very low28.8Very low171 Ų171131.8 Ų131.879%0.79275%0.749SS**  trans65.1147.1160.3-53-40.6000118
501S30.3Very low29Very low104 Ų104134.2 Ų134.273%0.72775%0.749SS**  cis-159.2125.3-5.541.40000112.5
502S23.9Very low28.8Very low105 Ų105134.5 Ų134.573%0.73475%0.749SS**  trans8.5132.8137.255.60000122.7
503E27.7Very low28.8Very low168 Ų168135.6 Ų135.679%0.78575%0.75SS**  179.2124.7118.1-97.2178-170.800110.7
504I28.5Very low28.6Very low139 Ų139139.3 Ų139.371%0.71376%0.756SS**  65.6122.597.6-67.7-176.1000113.4
505Q26.8Very low28.5Very low171 Ų171143.8 Ų143.880%0.79976%0.763SS**  cis-162.2156.25-135.7-173.5104.700113.5
506S28.3Very low28.2Very low121 Ų121141.7 Ų141.785%0.84675%0.753SS**  trans144.7157.3137.865.80000115
507S26Very low27.9Very low111 Ų111140.8 Ų140.878%0.77676%0.755SS**  trans-122.7127.5-144.956.80000117.9
508I26.8Very low27.6Very low171 Ų171142 Ų14288%0.87776%0.758SS**  trans-142.6119.7154.6-54.1178.6000108.8
509P25.5Very low27.4Very low104 Ų104142.8 Ų142.868%0.67576%0.761SS**  trans-109.8138.1-173.836.6-29.9000116
510K27.6Very low27.2Very low188 Ų188145.9 Ų145.982%0.81778%0.777SS**  trans71.4140.9153.2-59.6166.9-175.6-1790117.9
511Q25.6Very low27Very low163 Ų163142.4 Ų142.476%0.76277%0.77SS**  cis-167.5109.3-14.5-121.9173.7-19.100107.8
512I25.6Very low27Very low148 Ų148142.2 Ų142.276%0.75976%0.761SS**  trans-140.5122158.1-61.5-176.5000106L514I512-L514 PolarHBondContact O-N 2.93Å
513N26.3Very low27.7Very low153 Ų153138.1 Ų138.182%0.81873%0.732SS**  trans-72.997.5-176-73.5-14.8000110.6
514L26.8Very low28.4Very low166 Ų166132.9 Ų132.987%0.86971%0.707SS**PPolyproline II helixtrans-55.4134.1157.6-75.9154.2000108.9I512 S516I512-L514 PolarHBondContact O-N 2.93Å; L514-S516 PolarHBondContact O-N 3.08Å
515R29Very low29.5Very low235 Ų235130 Ų13089%0.88770%0.696SS**PPolyproline II helixtrans-66.4118.6171.5-76.5-179.2174.2176.7-1.6108.5
516S27.3Very low30.8Very low78 Ų78123.8 Ų123.855%0.54567%0.668SS.*PPolyproline II helixtrans-67.1133.7168.950.30000110.5L514 L518L514-S516 PolarHBondContact O-N 3.08Å; S516-L518 PolarHBondContact O-N 3.41Å; S516-L518 WeakPolarHBondContact OG-CD1 2.83Å
517P25.4Very low32.5Very low125 Ų125119.8 Ų119.881%0.81264%0.639SS**  trans-75114.4172.530.7-31.7000108.9
518L29.1Very low34.7Very low125 Ų125117.4 Ų117.465%0.65462%0.617SS**  trans-134.894.6-174.8-69.9176.2000112.8S516S516-L518 PolarHBondContact O-N 3.41Å; S516-L518 WeakPolarHBondContact OG-CD1 2.83Å
519L26.5Very low37.3Very low143 Ų143111 Ų11175%0.74958%0.583SS**  55.3119126.7-61.4168.1000119.8
520L25.4Very low40.2Very low174 Ų174106.1 Ų106.191%0.91155%0.551SS**  trans52.383.4157.2-96.274000116.5
521C28.7Very low43.2Very low98 Ų9897.1 Ų97.166%0.66251%0.512SS*.  trans-125.3138159.1-70.90000109.7P523 D526C521-P523 WeakPolarHBondContact O-CD 3.2Å; C521-D526 WeakPolarHBondContact CB-OD2 3.12Å
522N30.3Very low46.2Very low100 Ų10089.9 Ų89.954%0.53548%0.479SS..  trans-81113.6-175.7-148.9-10000108.2F524 T525N522-F524 PolarHBondContact O-N 3.29Å; N522-T525 PolarHBondContact O-N 3.45Å; N522-T525 PolarHBondContact O-OG1 3.14Å; N522-T525 VanDerWaalsContact O-OG1 3.07Å
523P39.2Very low49.3Very low20 Ų2082.9 Ų82.913%0.1344%0.443CS..THydrogen-bonded Turntrans-64.5-24.3-160.525.1-36.9000114.1C521 T527 P786C521-P523 WeakPolarHBondContact O-CD 3.2Å; P523-T527 PolarHBondContact O-OG1 2.68Å; P523-P786 HydrophobicContact CB-CG 3.28Å; P523-P786 HydrophobicContact CG-CG 3.73Å
524F41.7Very low52.4Low58 Ų5875.6 Ų75.625%0.25440%0.404SS..THydrogen-bonded Turntrans-84.9-14.2-179.3-59.4-65.4000114.7N522 R738N522-F524 PolarHBondContact O-N 3.29Å; F524-R738 HydrophobicContact CE2-CG 4.18Å; F524-R738 HydrophobicContact CZ-CB 4.38Å; F524-R738 HydrophobicContact CZ-CG 3.92Å
525T50.9Low55.5Low79 Ų7967.7 Ų67.749%0.48536%0.362SS..THydrogen-bonded Turntrans-93.4-22.5174.656.10000112.5K460 N522K460-T525 WeakPolarHBondContact CE-O 3.34Å; K460-T525 PolarHBondContact NZ-O 2.8Å; N522-T525 PolarHBondContact O-N 3.45Å; N522-T525 PolarHBondContact O-OG1 3.14Å; N522-T525 VanDerWaalsContact O-OG1 3.07Å
526D55.7Low58.3Low40 Ų4056.5 Ų56.521%0.21432%0.32CS..SBendtrans-115.916.8-159.6-61.8-10.2000114.2K460 C521K460-D526 HydrophobicContact CB-CB 4.33Å; K460-D526 WeakPolarHBondContact CB-O 3.36Å; K460-D526 HydrophobicContact CD-CB 4.32Å; K460-D526 PolarHBondContact N-O 2.98Å; K460-D526 IonicContact NZ-OD1 2.98Å; K460-D526 PolarHBondContact NZ-OD1 2.81Å; C521-D526 WeakPolarHBondContact CB-OD2 3.12Å
527T63.3Low61.2Low37 Ų3752.8 Ų52.823%0.22730%0.295CS..EExtended strand (participates in β ladder)trans-116114.917344.10000111.2T458 P523T458-T527 WeakPolarHBondContact O-CA 3.39Å; P523-T527 PolarHBondContact O-OG1 2.68Å
528D73Confident64.2Low60 Ų6046.9 Ų46.932%0.32126%0.256SS..EExtended strand (participates in β ladder)trans-93.6131.5172.1-74.6-41.6000109.1W457 T458 L461W457-D528 CarbonylContact C-O 3.52Å; W457-D528 WeakPolarHBondContact CA-O 3.41Å; T458-D528 PolarHBondContact N-O 3.36Å; T458-D528 PolarHBondContact O-N 2.92Å; T458-D528 PolarHBondContact OG1-O 3.05Å; L461-D528 PolarHBondContact N-OD2 2.89Å
529F80.9Confident67.1Low38 Ų3841.8 Ų41.817%0.16723%0.231CC..EExtended strand (participates in β ladder)trans-94.4140.4173.9-70.5-98.2000110.6V455 F456 W457 I674 L745 F784V455-F529 HydrophobicContact CG1-CB 4.07Å; V455-F529 HydrophobicContact CG1-CD1 4.03Å; F456-F529 CarbonylContact O-C 3.6Å; F456-F529 WeakPolarHBondContact O-CA 3.36Å; W457-F529 HydrophobicContact CB-CD1 4.11Å; W457-F529 HydrophobicContact CB-CE1 3.96Å; W457-F529 HydrophobicContact CB-CZ 4.32Å; F529-I674 VanDerWaalsContact C-CD1 3.49Å; F529-I674 HydrophobicContact CB-CD1 3.55Å; F529-I674 HydrophobicContact CB-CG2 3.98Å; F529-I674 HydrophobicContact CG-CG2 4.45Å; F529-I674 WeakPolarHBondContact O-CD1 3.11Å; F529-L745 HydrophobicContact CE1-CB 4.32Å; F529-L745 HydrophobicContact CE1-CD2 4.02Å; F529-L745 HydrophobicContact CE2-CD1 4.46Å; F529-L745 HydrophobicContact CE2-CD2 4.19Å; F529-L745 HydrophobicContact CZ-CB 4.18Å; F529-L745 HydrophobicContact CZ-CD1 3.93Å; F529-L745 HydrophobicContact CZ-CD2 3.7Å; F529-L745 HydrophobicContact CZ-CG 4.13Å; F529-F784 HydrophobicContact CE1-CD1 4.47Å; F529-F784 AromaticContact CE1-CE1 3.89Å; F529-F784 HydrophobicContact CE1-CE1 3.89Å; F529-F784 HydrophobicContact CZ-CD1 4.27Å; F529-F784 HydrophobicContact CZ-CE1 4.1Å
530I86.9Confident70.2Confident0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-129.4120.8-176.8-51.3179.1000108.7V455 F456 T458 L532 L644 F653 T669V455-I530 WeakPolarHBondContact CA-O 3.38Å; F456-I530 HydrophobicContact CD1-CB 4.29Å; F456-I530 VanDerWaalsContact CD1-O 3.26Å; F456-I530 WeakPolarHBondContact CD1-O 3.25Å; F456-I530 HydrophobicContact CD2-CB 4.42Å; F456-I530 HydrophobicContact CE1-CB 3.77Å; F456-I530 HydrophobicContact CE1-CG2 3.7Å; F456-I530 HydrophobicContact CE2-CB 3.93Å; F456-I530 HydrophobicContact CE2-CD1 3.8Å; F456-I530 HydrophobicContact CE2-CG1 4.28Å; F456-I530 HydrophobicContact CE2-CG2 4.39Å; F456-I530 HydrophobicContact CZ-CB 3.57Å; F456-I530 HydrophobicContact CZ-CD1 3.9Å; F456-I530 HydrophobicContact CZ-CG1 4.27Å; F456-I530 HydrophobicContact CZ-CG2 3.57Å; F456-I530 PolarHBondContact N-O 3.4Å; F456-I530 PolarHBondContact O-N 3.22Å; T458-I530 HydrophobicContact CG2-CD1 3.58Å; T458-I530 HydrophobicContact CG2-CG1 4.37Å; I530-L532 PolarHBondContact O-N 3.48Å; I530-L644 HydrophobicContact CD1-CD1 3.69Å; I530-L644 HydrophobicContact CG1-CD1 4.17Å; I530-L644 HydrophobicContact CG2-CD1 4.17Å; I530-F653 HydrophobicContact CD1-CD1 4.13Å; I530-F653 HydrophobicContact CD1-CD2 4.5Å; I530-F653 HydrophobicContact CD1-CE1 3.61Å; I530-F653 HydrophobicContact CD1-CE2 4.03Å; I530-F653 HydrophobicContact CD1-CZ 3.57Å; I530-T669 HydrophobicContact CB-CG2 4.4Å; I530-T669 HydrophobicContact CG1-CG2 3.9Å; I530-T669 HydrophobicContact CG2-CG2 4.34Å
531A88.8Confident73.3Confident0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-81.7111.5171.800000109.5V452 V455 A533 L668 L673 L677V452-A531 HydrophobicContact CG1-CB 3.79Å; V452-A531 HydrophobicContact CG2-CB 4.41Å; V455-A531 HydrophobicContact CG2-CB 4.35Å; A531-A533 PolarHBondContact O-N 2.96Å; A531-L668 HydrophobicContact CB-CB 4.35Å; A531-L668 PolarHBondContact N-O 3.47Å; A531-L668 PolarHBondContact O-N 2.91Å; A531-L673 HydrophobicContact CB-CD2 4.5Å; A531-L677 HydrophobicContact CB-CD1 4.13Å
532L89.1Confident76.2Confident11 Ų1128.1 Ų28.16%0.05815%0.149CC..EExtended strand (participates in β ladder)trans-74.4118.4173.5-174.865.2000109.3V73 L116 A453 K454 F456 I530 L646 I665V73-L532 HydrophobicContact CG2-CD1 3.95Å; V73-L532 HydrophobicContact CG2-CD2 3.75Å; V73-L532 HydrophobicContact CG2-CG 4.48Å; L116-L532 HydrophobicContact CD1-CD2 3.65Å; L116-L532 HydrophobicContact CD1-CG 3.92Å; A453-L532 PolarHBondContact N-O 2.82Å; K454-L532 PolarHBondContact O-N 2.92Å; F456-L532 HydrophobicContact CD1-CB 4.17Å; F456-L532 HydrophobicContact CE1-CB 3.99Å; I530-L532 PolarHBondContact O-N 3.48Å; L532-L646 HydrophobicContact CD1-CD1 3.8Å; L532-I665 HydrophobicContact CD1-CG2 3.79Å
533A90.6Very high79Confident0 Ų025.5 Ų25.50%015%0.146CC..EExtended strand (participates in β ladder)trans-139.3152-169.400000112.7I450 F451 V452 A531 I665 V666 L668I450-A533 HydrophobicContact CG2-CB 3.74Å; F451-A533 CarbonylContact O-C 3.53Å; F451-A533 WeakPolarHBondContact O-CA 3.46Å; F451-A533 WeakPolarHBondContact O-CB 2.94Å; V452-A533 HydrophobicContact CG2-CB 3.98Å; A531-A533 PolarHBondContact O-N 2.96Å; A533-I665 WeakPolarHBondContact O-CA 3.42Å; A533-V666 PolarHBondContact N-O 2.87Å; A533-V666 PolarHBondContact O-N 3.38Å; A533-V666 VanDerWaalsContact O-O 3.09Å; A533-L668 HydrophobicContact CB-CD1 3.95Å; A533-L668 HydrophobicContact CB-CG 4.15Å
534R91.5Very high81.4Confident0 Ų025.2 Ų25.20%014%0.143CC..EExtended strand (participates in β ladder)trans-114.2127.8169.4172.8167.2169.2179.3-2110.1L116 C117 D118 I450 F451 F536 I665L116-R534 HydrophobicContact CD2-CB 3.65Å; L116-R534 WeakPolarHBondContact O-CD 3.13Å; L116-R534 PolarHBondContact O-NH1 2.92Å; C117-R534 PolarHBondContact O-NH1 3.27Å; D118-R534 VanDerWaalsContact CG-NH2 3.29Å; D118-R534 IonicContact OD1-CZ 2.7Å; D118-R534 VanDerWaalsContact OD1-CZ 3.23Å; D118-R534 IonicContact OD1-NH1 3.4Å; D118-R534 PolarHBondContact OD1-NH1 3.45Å; D118-R534 IonicContact OD1-NH2 2.97Å; D118-R534 PolarHBondContact OD1-NH2 2.9Å; D118-R534 IonicContact OD2-CZ 3.72Å; D118-R534 IonicContact OD2-NH1 3.75Å; D118-R534 PolarHBondContact OD2-NH1 3.43Å; D118-R534 IonicContact OD2-NH2 3.79Å; D118-R534 PolarHBondContact OD2-NH2 3.41Å; I450-R534 WeakPolarHBondContact CA-O 3.1Å; I450-R534 VanDerWaalsContact CG2-O 3.25Å; I450-R534 WeakPolarHBondContact CG2-O 3.38Å; F451-R534 PolarHBondContact N-O 2.85Å; F451-R534 PolarHBondContact O-N 3.37Å; R534-F536 HydrophobicContact CB-CE2 4.14Å; R534-F536 HydrophobicContact CG-CD2 4.18Å; R534-F536 HydrophobicContact CG-CE1 4.39Å; R534-F536 HydrophobicContact CG-CE2 3.92Å; R534-F536 HydrophobicContact CG-CZ 4.02Å; R534-F536 VanDerWaalsContact CZ-CE1 3.49Å; R534-F536 VanDerWaalsContact NE-CE1 3.32Å; R534-I665 HydrophobicContact CB-CG1 4.5Å
535V91.9Very high83.8Confident0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-79.1120.9169.9-167.80000107.4I450 V540 G663 N664 V666I450-V535 HydrophobicContact CG2-CG2 4.33Å; V535-V540 HydrophobicContact CB-CG2 4.35Å; V535-V540 HydrophobicContact CG1-CG2 3.82Å; V535-V540 HydrophobicContact CG2-CB 4.42Å; V535-V540 HydrophobicContact CG2-CG2 3.54Å; V535-G663 PolarHBondContact O-N 3.31Å; V535-N664 PolarHBondContact N-O 3.42Å; V535-N664 VanDerWaalsContact N-O 3.15Å; V535-V666 HydrophobicContact CG2-CG2 4.09Å
536F88.7Confident85.8Confident0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-98.5-36.5177.5-80.1-80.7000112.8V387 M395 L437 C440 I449 F451 R534 S662V387-F536 HydrophobicContact CG2-CD1 4.3Å; V387-F536 HydrophobicContact CG2-CE1 4.33Å; M395-F536 HydrophobicContact CE-CE1 3.83Å; M395-F536 HydrophobicContact CE-CE2 3.86Å; M395-F536 HydrophobicContact CE-CZ 3.32Å; M395-F536 HydrophobicContact SD-CE1 4.28Å; M395-F536 HydrophobicContact SD-CZ 4.32Å; L437-F536 HydrophobicContact CD2-CB 3.33Å; L437-F536 HydrophobicContact CD2-CD1 4.17Å; L437-F536 HydrophobicContact CD2-CD2 4.45Å; L437-F536 HydrophobicContact CD2-CG 3.76Å; C440-F536 PolarHBondContact SG-O 2.86Å; C440-F536 VanDerWaalsContact SG-O 3.35Å; I449-F536 PolarHBondContact O-N 3.26Å; F451-F536 HydrophobicContact CB-CD2 4.1Å; F451-F536 HydrophobicContact CB-CE2 3.7Å; R534-F536 HydrophobicContact CB-CE2 4.14Å; R534-F536 HydrophobicContact CG-CD2 4.18Å; R534-F536 HydrophobicContact CG-CE1 4.39Å; R534-F536 HydrophobicContact CG-CE2 3.92Å; R534-F536 HydrophobicContact CG-CZ 4.02Å; R534-F536 VanDerWaalsContact CZ-CE1 3.49Å; R534-F536 VanDerWaalsContact NE-CE1 3.32Å; F536-S662 WeakPolarHBondContact O-CB 3.27Å
537S88.2Confident87.4Confident1 Ų119.4 Ų19.41%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-144.5155.3179.8-152.10000109.9A436 P447 T448 I449A436-S537 VanDerWaalsContact O-CB 3.26Å; A436-S537 WeakPolarHBondContact O-CB 3.34Å; A436-S537 PolarHBondContact O-OG 2.97Å; P447-S537 CarbonylContact O-C 3.48Å; P447-S537 VanDerWaalsContact O-C 3.32Å; P447-S537 WeakPolarHBondContact O-CB 3.44Å; T448-S537 VanDerWaalsContact CA-O 3.32Å; T448-S537 WeakPolarHBondContact CA-O 3.42Å; I449-S537 PolarHBondContact N-O 3Å; I449-S537 PolarHBondContact O-N 3.32Å
538G88Confident88.6Confident0 Ų017.6 Ų17.60%010%0.098CC..SBendtrans71.3-158.6-174.200000113.9D441 P447 S662D441-G538 WeakPolarHBondContact O-CA 3.38Å; D441-G538 PolarHBondContact O-N 2.97Å; P447-G538 PolarHBondContact O-N 2.82Å; G538-S662 PolarHBondContact O-N 2.86Å
539S89.7Confident89.2Confident19 Ų1914.8 Ų14.813%0.1338%0.083CC..EExtended strand (participates in β ladder)trans-136156.4175.157.10000111.5T448 Q544 V660T448-S539 PolarHBondContact OG1-O 3.17Å; S539-Q544 PolarHBondContact O-OE1 2.75Å; S539-V660 CarbonylContact C-O 3.58Å; S539-V660 WeakPolarHBondContact CA-O 3.48Å; S539-V660 WeakPolarHBondContact CB-O 3.38Å
540V90.8Very high88.8Confident0 Ų013 Ų130%08%0.075CC..EExtended strand (participates in β ladder)trans-125132.8-174.5-169.10000110.9T448 I450 V535 V643 P659 V660 L668T448-V540 HydrophobicContact CG2-CG2 3.89Å; I450-V540 HydrophobicContact CD1-CB 4.4Å; I450-V540 HydrophobicContact CD1-CG1 4.01Å; I450-V540 HydrophobicContact CD1-CG2 3.42Å; I450-V540 VanDerWaalsContact CD1-CG2 3.42Å; I450-V540 HydrophobicContact CG1-CG2 3.91Å; V535-V540 HydrophobicContact CB-CG2 4.35Å; V535-V540 HydrophobicContact CG1-CG2 3.82Å; V535-V540 HydrophobicContact CG2-CB 4.42Å; V535-V540 HydrophobicContact CG2-CG2 3.54Å; V540-V643 HydrophobicContact CG1-CG2 3.98Å; V540-P659 WeakPolarHBondContact O-CA 3.43Å; V540-V660 PolarHBondContact N-O 3.04Å; V540-V660 PolarHBondContact O-N 3.33Å; V540-L668 HydrophobicContact CG1-CD2 4.09Å
541Y90.7Very high87.8Confident88 Ų8815.6 Ų15.635%0.3459%0.092SC..  trans-138.9154.7-179.757.5-88.2000111.8G543 Q544Y541-G543 PolarHBondContact O-N 3.37Å; Y541-Q544 HydrophobicContact CD1-CB 4.38Å; Y541-Q544 HydrophobicContact CD1-CG 4.49Å; Y541-Q544 HydrophobicContact CD2-CB 4.05Å; Y541-Q544 HydrophobicContact CE1-CB 4.13Å; Y541-Q544 HydrophobicContact CE1-CG 3.9Å; Y541-Q544 HydrophobicContact CE2-CB 3.76Å; Y541-Q544 HydrophobicContact CE2-CG 4.25Å; Y541-Q544 HydrophobicContact CG-CB 4.35Å; Y541-Q544 WeakPolarHBondContact O-CB 3.25Å; Y541-Q544 PolarHBondContact O-N 3.48Å
542P90.3Very high86.8Confident39 Ų3920.9 Ų20.925%0.25312%0.115SC..THydrogen-bonded Turntrans-63.8134.3175.526.9-34.9000111.4V641P542-V641 WeakPolarHBondContact CB-O 3.39Å
543G88.6Confident86.1Confident46 Ų4620.7 Ų20.747%0.47411%0.114SC..THydrogen-bonded Turntrans99.2-13.3-175.500000114.8Y541 K545 C639 V640Y541-G543 PolarHBondContact O-N 3.37Å; G543-K545 PolarHBondContact O-N 2.9Å; G543-C639 PolarHBondContact O-SG 3.15Å; G543-V640 PolarHBondContact N-O 3.44Å
544Q90.6Very high85Confident14 Ų1424.7 Ų24.77%0.06514%0.135CC..  trans-68.4129.2-177.1-167.7177.310.100111.8T448 S539 Y541 L546 V640T448-Q544 PolarHBondContact OG1-NE2 3.17Å; S539-Q544 PolarHBondContact O-OE1 2.75Å; Y541-Q544 HydrophobicContact CD1-CB 4.38Å; Y541-Q544 HydrophobicContact CD1-CG 4.49Å; Y541-Q544 HydrophobicContact CD2-CB 4.05Å; Y541-Q544 HydrophobicContact CE1-CB 4.13Å; Y541-Q544 HydrophobicContact CE1-CG 3.9Å; Y541-Q544 HydrophobicContact CE2-CB 3.76Å; Y541-Q544 HydrophobicContact CE2-CG 4.25Å; Y541-Q544 HydrophobicContact CG-CB 4.35Å; Y541-Q544 WeakPolarHBondContact O-CB 3.25Å; Y541-Q544 PolarHBondContact O-N 3.48Å; Q544-L546 HydrophobicContact CG-CD2 4.25Å; Q544-L546 HydrophobicContact CG-CG 4.29Å; Q544-V640 PolarHBondContact O-N 3.15Å
545K92.6Very high83.9Confident52 Ų5224.8 Ų24.823%0.22614%0.136CC..EExtended strand (participates in β ladder)trans-85.6139.7167.2-61.5-163.7-158.1160.50110.6G543 P567 E568 L570 L572 V637 A638G543-K545 PolarHBondContact O-N 2.9Å; K545-P567 HydrophobicContact CB-CB 4.17Å; K545-P567 WeakPolarHBondContact CD-O 3.15Å; K545-P567 WeakPolarHBondContact O-CG 3.44Å; K545-E568 HydrophobicContact CB-CG 4.46Å; K545-E568 PolarHBondContact NZ-O 3.04Å; K545-L570 PolarHBondContact NZ-O 3.34Å; K545-L572 HydrophobicContact CD-CD2 3.91Å; K545-L572 HydrophobicContact CG-CD2 4.28Å; K545-V637 HydrophobicContact CB-CG1 4.17Å; K545-V637 HydrophobicContact CD-CG1 4.01Å; K545-A638 CarbonylContact C-O 3.48Å; K545-A638 WeakPolarHBondContact CA-O 3.19Å
546L91.8Very high82.7Confident2 Ų230.5 Ų30.51%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-139.3153.9178.7-66.4172.8000111.1T448 I450 Q544 V637 A638 V640 L683T448-L546 HydrophobicContact CG2-CD2 4.44Å; I450-L546 HydrophobicContact CD1-CD1 3.46Å; I450-L546 VanDerWaalsContact CD1-CD1 3.46Å; I450-L546 HydrophobicContact CG1-CD1 4.43Å; Q544-L546 HydrophobicContact CG-CD2 4.25Å; Q544-L546 HydrophobicContact CG-CG 4.29Å; L546-V637 WeakPolarHBondContact O-CA 3.43Å; L546-A638 PolarHBondContact N-O 3.36Å; L546-A638 PolarHBondContact O-N 2.95Å; L546-V640 HydrophobicContact CD1-CG2 4.25Å; L546-L683 HydrophobicContact CB-CB 4.44Å; L546-L683 HydrophobicContact CD1-CB 4.15Å; L546-L683 HydrophobicContact CD1-CD1 4.49Å
547F90.3Very high81.8Confident0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-78.7119.9169.9-66-74.9000110.4P567 L570 V575 V635 Y636 V637 L683 V684 L687F547-P567 HydrophobicContact CD2-CB 4.07Å; F547-P567 HydrophobicContact CD2-CG 4.37Å; F547-P567 HydrophobicContact CE1-CB 4.47Å; F547-P567 HydrophobicContact CE2-CB 3.8Å; F547-P567 HydrophobicContact CE2-CG 4.16Å; F547-P567 HydrophobicContact CZ-CB 4.01Å; F547-L570 HydrophobicContact CE1-CD1 3.57Å; F547-L570 HydrophobicContact CZ-CD1 3.77Å; F547-V575 HydrophobicContact CD1-CG2 4.36Å; F547-V575 HydrophobicContact CE1-CG2 4.21Å; F547-V635 HydrophobicContact CD1-CG1 3.89Å; F547-Y636 CarbonylContact C-O 3.59Å; F547-Y636 VanDerWaalsContact CA-O 3.31Å; F547-Y636 WeakPolarHBondContact CA-O 3.44Å; F547-V637 HydrophobicContact CD1-CG2 3.74Å; F547-V637 HydrophobicContact CE1-CG2 3.69Å; F547-L683 CarbonylContact O-C 3.57Å; F547-L683 VanDerWaalsContact O-CA 3.29Å; F547-L683 WeakPolarHBondContact O-CA 3.35Å; F547-V684 WeakPolarHBondContact CB-O 3.19Å; F547-V684 PolarHBondContact N-O 3.45Å; F547-V684 PolarHBondContact O-N 2.79Å; F547-L687 HydrophobicContact CB-CD2 4.04Å; F547-L687 HydrophobicContact CD1-CD1 4.26Å; F547-L687 HydrophobicContact CD1-CD2 4.27Å; F547-L687 HydrophobicContact CD1-CG 4.31Å; F547-L687 HydrophobicContact CD2-CD2 4.21Å; F547-L687 HydrophobicContact CD2-CG 4.01Å; F547-L687 HydrophobicContact CE1-CD1 4.08Å; F547-L687 HydrophobicContact CE1-CG 4.4Å; F547-L687 HydrophobicContact CE2-CG 4.11Å; F547-L687 HydrophobicContact CG-CD2 3.93Å; F547-L687 HydrophobicContact CG-CG 4.11Å; F547-L687 HydrophobicContact CZ-CD1 4.22Å; F547-L687 HydrophobicContact CZ-CG 4.31Å
548V88.5Confident81.2Confident0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-88116.3170.7-168.50000108.8Y636 A638 L673 C676 L677 L683V548-Y636 PolarHBondContact N-O 3Å; V548-Y636 PolarHBondContact O-N 3.36Å; V548-A638 HydrophobicContact CG2-CB 3.53Å; V548-L673 HydrophobicContact CG2-CD1 4.01Å; V548-C676 HydrophobicContact CB-CB 4.46Å; V548-C676 HydrophobicContact CG1-CB 4.42Å; V548-C676 HydrophobicContact CG2-CB 4.31Å; V548-L677 HydrophobicContact CG1-CD2 3.82Å; V548-L677 HydrophobicContact CG1-CG 4.15Å; V548-L683 HydrophobicContact CB-CD2 4.05Å; V548-L683 HydrophobicContact CG1-CD2 3.86Å; V548-L683 HydrophobicContact CG2-CD2 3.82Å
549L84.5Confident80.6Confident0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-98118.5176.4-53.9-178.3000110.4F553 V635 L682 V684 L687 V690 P708L549-F553 HydrophobicContact CB-CB 4.45Å; L549-F553 HydrophobicContact CB-CG 4.44Å; L549-F553 HydrophobicContact CD1-CD1 4.14Å; L549-F553 HydrophobicContact CD1-CE1 4.12Å; L549-F553 HydrophobicContact CD2-CD1 4.34Å; L549-F553 HydrophobicContact CD2-CD2 4.07Å; L549-F553 HydrophobicContact CD2-CE1 4.36Å; L549-F553 HydrophobicContact CD2-CE2 4.08Å; L549-F553 HydrophobicContact CD2-CG 4.18Å; L549-F553 HydrophobicContact CD2-CZ 4.21Å; L549-V635 HydrophobicContact CD2-CG1 4.23Å; L549-V635 HydrophobicContact CD2-CG2 4.04Å; L549-L682 HydrophobicContact CB-CB 4.41Å; L549-L682 WeakPolarHBondContact CB-O 3.41Å; L549-L682 HydrophobicContact CD1-CD2 4.41Å; L549-L682 PolarHBondContact N-O 2.9Å; L549-L682 PolarHBondContact O-N 3.24Å; L549-V684 HydrophobicContact CD1-CG2 3.71Å; L549-V684 HydrophobicContact CG-CG2 4.29Å; L549-L687 HydrophobicContact CD2-CD2 3.82Å; L549-V690 HydrophobicContact CD1-CB 4.24Å; L549-V690 HydrophobicContact CD1-CG1 3.92Å; L549-V690 HydrophobicContact CD1-CG2 3.98Å; L549-P708 HydrophobicContact CB-CB 4.38Å
550G72.4Confident79.8Confident1 Ų143.1 Ų43.11%0.0123%0.225CC..PPolyproline II helixtrans-79.4164.1174.500000113K552 F553 H634 P708G550-K552 VanDerWaalsContact C-N 3.25Å; G550-K552 PolarHBondContact O-N 2.87Å; G550-K552 VanDerWaalsContact O-N 3.14Å; G550-F553 WeakPolarHBondContact O-CB 3.27Å; G550-F553 PolarHBondContact O-N 2.79Å; G550-H634 PolarHBondContact N-O 3.46Å; G550-P708 VanDerWaalsContact O-CG 3.25Å; G550-P708 WeakPolarHBondContact O-CG 3.34Å
551P66.8Low79.2Confident54 Ų5448.2 Ų48.235%0.35125%0.245SC..THydrogen-bonded Turntrans-64.9-23-169.825.5-35.6000114.7P678 P708 A710P551-P678 HydrophobicContact CG-CG 4.19Å; P551-P708 WeakPolarHBondContact O-CG 3.42Å; P551-A710 HydrophobicContact CB-CB 4.06Å
552K67.6Low78.7Confident111 Ų11144.3 Ų44.348%0.48323%0.229SC..THydrogen-bonded Turntrans-94.610.9176.9-68.5177.7-179.1179.20112.6G550 N554 H634 D1186G550-K552 VanDerWaalsContact C-N 3.25Å; G550-K552 PolarHBondContact O-N 2.87Å; G550-K552 VanDerWaalsContact O-N 3.14Å; K552-N554 PolarHBondContact O-ND2 3.16Å; K552-H634 WeakPolarHBondContact CB-CD2 3.49Å; K552-H634 VanDerWaalsContact CB-NE2 3.34Å; K552-H634 WeakPolarHBondContact CB-NE2 3.42Å; K552-H634 PolarHBondContact O-CD2 2.99Å; K552-D1186 IonicContact NZ-OD2 3.05Å; K552-D1186 PolarHBondContact NZ-OD2 3.05Å
553F73.7Confident78Confident8 Ų842.9 Ų42.94%0.03522%0.22CC..  trans-60.3140.4175.6171.6-104000111.6L549 G550 V558 H634 V635 V690 P708L549-F553 HydrophobicContact CB-CB 4.45Å; L549-F553 HydrophobicContact CB-CG 4.44Å; L549-F553 HydrophobicContact CD1-CD1 4.14Å; L549-F553 HydrophobicContact CD1-CE1 4.12Å; L549-F553 HydrophobicContact CD2-CD1 4.34Å; L549-F553 HydrophobicContact CD2-CD2 4.07Å; L549-F553 HydrophobicContact CD2-CE1 4.36Å; L549-F553 HydrophobicContact CD2-CE2 4.08Å; L549-F553 HydrophobicContact CD2-CG 4.18Å; L549-F553 HydrophobicContact CD2-CZ 4.21Å; G550-F553 WeakPolarHBondContact O-CB 3.27Å; G550-F553 PolarHBondContact O-N 2.79Å; F553-V558 HydrophobicContact CE2-CG2 3.62Å; F553-V558 HydrophobicContact CZ-CG2 3.66Å; F553-H634 HydrophobicContact CB-CB 4.24Å; F553-V635 HydrophobicContact CD2-CG2 3.34Å; F553-V635 HydrophobicContact CE2-CG2 3.38Å; F553-V690 HydrophobicContact CD1-CG1 4.27Å; F553-V690 HydrophobicContact CE1-CB 4.2Å; F553-V690 HydrophobicContact CE1-CG1 3.66Å; F553-P708 HydrophobicContact CB-CG 4.09Å
554N67.4Low77.3Confident84 Ų8446.1 Ų46.145%0.44923%0.226SC..  trans-132.2104.9179.2-79.7-87.9000109.3K552 R556 K557K552-N554 PolarHBondContact O-ND2 3.16Å; N554-R556 PolarHBondContact O-N 2.94Å; N554-R556 VanDerWaalsContact O-N 3.08Å; N554-K557 HydrophobicContact CB-CG 4.45Å; N554-K557 PolarHBondContact O-N 3.3Å
555G69.7Low76.8Confident1 Ų147.2 Ų47.21%0.0123%0.234CC..G310 helixtrans-52.8-33.6-178.500000114.2K557 V558 S691G555-K557 PolarHBondContact O-N 3.12Å; G555-V558 WeakPolarHBondContact O-CG2 3.34Å; G555-V558 PolarHBondContact O-N 3.47Å; G555-V558 VanDerWaalsContact O-N 3.16Å; G555-S691 PolarHBondContact O-OG 3.1Å
556R66.2Low76.3Confident120 Ų12048.9 Ų48.945%0.45325%0.245SC..G310 helixtrans-60.4-14.9176.8-61.7-176.2179.1-151.7-5.3115N554 E702 L703N554-R556 PolarHBondContact O-N 2.94Å; N554-R556 VanDerWaalsContact O-N 3.08Å; R556-E702 IonicContact CZ-OE2 3.44Å; R556-E702 IonicContact NH1-OE2 2.83Å; R556-E702 PolarHBondContact NH1-OE2 3.27Å; R556-E702 IonicContact NH2-OE2 2.6Å; R556-E702 PolarHBondContact NH2-OE2 3.42Å; R556-L703 PolarHBondContact NH2-O 2.82Å; R556-L703 VanDerWaalsContact NH2-O 3.11Å
557K69.9Low75.9Confident159 Ų15949.2 Ų49.269%0.69125%0.248SC*.G310 helixtrans-100.30.7179.7-67.6-169.4176-173.30114.1N554 G555 P559N554-K557 HydrophobicContact CB-CG 4.45Å; N554-K557 PolarHBondContact O-N 3.3Å; G555-K557 PolarHBondContact O-N 3.12Å; K557-P559 WeakPolarHBondContact O-CD 3.42Å
558V74.4Confident75.5Confident13 Ų1354.8 Ų54.88%0.07927%0.273CS..SBendtrans-79.8121.8178.9-173.50000109.2F553 G555 L562 L563 L632 L687F553-V558 HydrophobicContact CE2-CG2 3.62Å; F553-V558 HydrophobicContact CZ-CG2 3.66Å; G555-V558 WeakPolarHBondContact O-CG2 3.34Å; G555-V558 PolarHBondContact O-N 3.47Å; G555-V558 VanDerWaalsContact O-N 3.16Å; V558-L562 HydrophobicContact CG1-CB 3.92Å; V558-L563 HydrophobicContact CB-CD2 4.05Å; V558-L563 HydrophobicContact CG1-CD2 3.74Å; V558-L632 HydrophobicContact CG1-CD2 4.34Å; V558-L632 HydrophobicContact CG2-CD2 4.32Å; V558-L687 HydrophobicContact CG1-CB 4.29Å; V558-L687 HydrophobicContact CG1-CD1 3.93Å
559P76.1Confident75.2Confident35 Ų3558.9 Ų58.923%0.22730%0.302CS..  trans-60.1148.5173.4-20.531000111.9K557 Y561 L562 L577K557-P559 WeakPolarHBondContact O-CD 3.42Å; P559-Y561 VanDerWaalsContact C-N 3.25Å; P559-Y561 HydrophobicContact CB-CD1 3.58Å; P559-Y561 HydrophobicContact CB-CE1 3.33Å; P559-Y561 HydrophobicContact CB-CG 4.38Å; P559-Y561 HydrophobicContact CG-CE1 3.89Å; P559-Y561 PolarHBondContact O-N 3.34Å; P559-L562 PolarHBondContact O-N 3.25Å; P559-L577 HydrophobicContact CG-CD2 3.78Å
560S73.1Confident75.2Confident79 Ų7960.3 Ų60.355%0.55231%0.31SS*.Hα-helixtrans-53.5-38.9-179.249.20000113.6L562 L563S560-L562 VanDerWaalsContact C-N 3.3Å; S560-L562 PolarHBondContact O-N 2.91Å; S560-L563 WeakPolarHBondContact O-CB 3.42Å; S560-L563 WeakPolarHBondContact O-CG 3.41Å; S560-L563 PolarHBondContact O-N 3.34Å
561Y77.8Confident75.7Confident107 Ų10764.3 Ų64.342%0.4234%0.336SS..Hα-helixtrans-65.1-28.2-179.667.5-97.1000113.8P559 T565 R578P559-Y561 VanDerWaalsContact C-N 3.25Å; P559-Y561 HydrophobicContact CB-CD1 3.58Å; P559-Y561 HydrophobicContact CB-CE1 3.33Å; P559-Y561 HydrophobicContact CB-CG 4.38Å; P559-Y561 HydrophobicContact CG-CE1 3.89Å; P559-Y561 PolarHBondContact O-N 3.34Å; Y561-T565 PolarHBondContact O-OG1 2.72Å; Y561-R578 PolarHBondContact OH-N 3.11Å; Y561-R578 VanDerWaalsContact OH-N 3.16Å
562L81Confident76.4Confident5 Ų565.6 Ų65.63%0.02634%0.339CS..Hα-helixtrans-83.2-12.1178.5-70.8-177000113.8V558 P559 S560 D564 V575 L577 L632 L687V558-L562 HydrophobicContact CG1-CB 3.92Å; P559-L562 PolarHBondContact O-N 3.25Å; S560-L562 VanDerWaalsContact C-N 3.3Å; S560-L562 PolarHBondContact O-N 2.91Å; L562-D564 PolarHBondContact O-N 3.22Å; L562-V575 HydrophobicContact CD1-CG1 3.8Å; L562-V575 HydrophobicContact CD2-CG1 4.46Å; L562-L577 HydrophobicContact CD1-CD2 3.97Å; L562-L632 HydrophobicContact CD1-CD2 3.89Å; L562-L687 HydrophobicContact CB-CD1 4.2Å
563L75Confident77.1Confident10 Ų1061 Ų615%0.05232%0.323CS..Hα-helixtrans-62-43-173.5-65179.3000112.5V558 S560 L687 S688 S691 F693V558-L563 HydrophobicContact CB-CD2 4.05Å; V558-L563 HydrophobicContact CG1-CD2 3.74Å; S560-L563 WeakPolarHBondContact O-CB 3.42Å; S560-L563 WeakPolarHBondContact O-CG 3.41Å; S560-L563 PolarHBondContact O-N 3.34Å; L563-L687 PolarHBondContact O-N 3.12Å; L563-S688 WeakPolarHBondContact O-CB 3.42Å; L563-S688 PolarHBondContact O-N 2.92Å; L563-S688 PolarHBondContact O-OG 2.93Å; L563-S691 VanDerWaalsContact CD2-CB 3.48Å; L563-F693 HydrophobicContact CD1-CB 4.25Å; L563-F693 HydrophobicContact CD1-CD2 3.54Å; L563-F693 HydrophobicContact CD1-CE2 4.11Å; L563-F693 HydrophobicContact CD1-CG 4.01Å
564D74.8Confident77.5Confident114 Ų11463.5 Ų63.561%0.6134%0.34SS*.THydrogen-bonded Turntrans-113.816-177.9-61.3-40.9000112.9L562 S688L562-D564 PolarHBondContact O-N 3.22Å; D564-S688 VanDerWaalsContact OD1-CB 3.28Å; D564-S688 WeakPolarHBondContact OD1-CB 3.44Å; D564-S688 PolarHBondContact OD1-OG 2.8Å
565T79.7Confident78.2Confident36 Ų3659.8 Ų59.822%0.22132%0.32CS..  trans-75.6125.4172.2-70.10000110.2Y561 S569 L570Y561-T565 PolarHBondContact O-OG1 2.72Å; T565-S569 WeakPolarHBondContact CG2-OG 3.18Å; T565-L570 HydrophobicContact CG2-CD1 4.15Å; T565-L570 HydrophobicContact CG2-CG 4.22Å
566D82.9Confident78.6Confident88 Ų8866.6 Ų66.647%0.47135%0.346SS..  trans-72.4135.5175.2-70.5-42.5000111.4E568 S569 R686D566-E568 PolarHBondContact O-N 3.02Å; D566-E568 VanDerWaalsContact O-N 3.13Å; D566-S569 PolarHBondContact O-N 3.12Å; D566-S569 VanDerWaalsContact O-N 3.16Å; D566-S569 PolarHBondContact O-OG 3.24Å; D566-R686 IonicContact OD1-NE 2.95Å
567P82.3Confident79.1Confident9 Ų962.9 Ų62.96%0.05833%0.334CS..G310 helixtrans-65-20.6-174.126.1-35000113.3K545 F547 S569 L570 V637 S685K545-P567 HydrophobicContact CB-CB 4.17Å; K545-P567 WeakPolarHBondContact CD-O 3.15Å; K545-P567 WeakPolarHBondContact O-CG 3.44Å; F547-P567 HydrophobicContact CD2-CB 4.07Å; F547-P567 HydrophobicContact CD2-CG 4.37Å; F547-P567 HydrophobicContact CE1-CB 4.47Å; F547-P567 HydrophobicContact CE2-CB 3.8Å; F547-P567 HydrophobicContact CE2-CG 4.16Å; F547-P567 HydrophobicContact CZ-CB 4.01Å; P567-S569 VanDerWaalsContact C-N 3.25Å; P567-S569 PolarHBondContact O-N 2.77Å; P567-L570 PolarHBondContact O-N 3.32Å; P567-V637 HydrophobicContact CB-CG1 4.24Å; P567-S685 WeakPolarHBondContact CD-O 3.42Å
568E82.5Confident78.9Confident116 Ų11661 Ų6154%0.54232%0.323SS..G310 helixtrans-61-32.9176-65.1-165.6170.900113K545 D566 L570K545-E568 HydrophobicContact CB-CG 4.46Å; K545-E568 PolarHBondContact NZ-O 3.04Å; D566-E568 PolarHBondContact O-N 3.02Å; D566-E568 VanDerWaalsContact O-N 3.13Å; E568-L570 VanDerWaalsContact C-N 3.26Å; E568-L570 PolarHBondContact O-N 3.18Å
569S82.1Confident78.1Confident86 Ų8662.7 Ų62.760%0.60133%0.332SS*.G310 helixtrans-70.2-19.8178.368.30000114T565 D566 P567T565-S569 WeakPolarHBondContact CG2-OG 3.18Å; D566-S569 PolarHBondContact O-N 3.12Å; D566-S569 VanDerWaalsContact O-N 3.16Å; D566-S569 PolarHBondContact O-OG 3.24Å; P567-S569 VanDerWaalsContact C-N 3.25Å; P567-S569 PolarHBondContact O-N 2.77Å
570L83.3Confident76.8Confident31 Ų3167.3 Ų67.316%0.16236%0.355CS..SBendtrans-95.1150.8-172.9-67.4172.1000112.5K545 F547 T565 P567 E568 V575 V637K545-L570 PolarHBondContact NZ-O 3.34Å; F547-L570 HydrophobicContact CE1-CD1 3.57Å; F547-L570 HydrophobicContact CZ-CD1 3.77Å; T565-L570 HydrophobicContact CG2-CD1 4.15Å; T565-L570 HydrophobicContact CG2-CG 4.22Å; P567-L570 PolarHBondContact O-N 3.32Å; E568-L570 VanDerWaalsContact C-N 3.26Å; E568-L570 PolarHBondContact O-N 3.18Å; L570-V575 HydrophobicContact CD1-CG2 4.47Å; L570-V637 HydrophobicContact CB-CG2 4Å; L570-V637 HydrophobicContact CD1-CG2 3.97Å
571P83.9Confident75.3Confident85 Ų8570.3 Ų70.355%0.55236%0.364SS*.PPolyproline II helixtrans-66.2154.5169.430.2-35.3000110.8
572L82Confident73.5Confident81 Ų8171.9 Ų71.942%0.42438%0.375SS..SBendtrans-69.7148.6175-60.9171.3000110.8K545 V637 C639K545-L572 HydrophobicContact CD-CD2 3.91Å; K545-L572 HydrophobicContact CG-CD2 4.28Å; L572-V637 WeakPolarHBondContact CA-O 3.21Å; L572-V637 HydrophobicContact CD2-CG1 4.35Å; L572-C639 HydrophobicContact CD2-CB 3.97Å
573G81Confident71.4Confident14 Ų1476.5 Ų76.514%0.14440%0.4CS..EExtended strand (participates in β ladder)trans99.1-157.8-177.100000113.6Y636 V637G573-Y636 CarbonylContact O-C 3.52Å; G573-Y636 VanDerWaalsContact O-CA 3.3Å; G573-Y636 WeakPolarHBondContact O-CA 3.35Å; G573-V637 PolarHBondContact N-O 2.76Å; G573-V637 PolarHBondContact O-N 2.87Å
574P82.3Confident69.4Low60 Ų6082.8 Ų82.839%0.3943%0.432SS..EExtended strand (participates in β ladder)trans-68.3135.3-174.327-34000112.4R576 Y631 Y636P574-R576 PolarHBondContact O-N 3.29Å; P574-Y631 HydrophobicContact CB-CD1 3.75Å; P574-Y631 HydrophobicContact CB-CE1 4.14Å; P574-Y631 HydrophobicContact CG-CD1 3.9Å; P574-Y631 HydrophobicContact CG-CE1 3.74Å; P574-Y636 HydrophobicContact CB-CD1 3.77Å; P574-Y636 HydrophobicContact CB-CE1 3.96Å
575V82Confident67.2Low6 Ų684.5 Ų84.54%0.03644%0.441CS..EExtended strand (participates in β ladder)trans-69.2119.7-177.2177.70000110.7F547 L562 L570 Y631 L632 V635 V637F547-V575 HydrophobicContact CD1-CG2 4.36Å; F547-V575 HydrophobicContact CE1-CG2 4.21Å; L562-V575 HydrophobicContact CD1-CG1 3.8Å; L562-V575 HydrophobicContact CD2-CG1 4.46Å; L570-V575 HydrophobicContact CD1-CG2 4.47Å; V575-Y631 CarbonylContact O-C 3.56Å; V575-Y631 WeakPolarHBondContact O-CA 3.48Å; V575-L632 HydrophobicContact CB-CB 4.28Å; V575-L632 HydrophobicContact CG1-CB 4.43Å; V575-L632 PolarHBondContact O-N 2.9Å; V575-V635 HydrophobicContact CG2-CB 4.41Å; V575-V635 HydrophobicContact CG2-CG1 3.84Å; V575-V635 PolarHBondContact N-O 3.45Å; V575-V635 VanDerWaalsContact N-O 3.15Å; V575-V637 HydrophobicContact CG2-CG2 3.77Å
576R78.6Confident64.7Low145 Ų14590.6 Ų90.655%0.54747%0.471SS..EExtended strand (participates in β ladder)trans-79.8138.4171.9-69.9178.1179.9159.14.7110.3P574 P629 K630 Y631P574-R576 PolarHBondContact O-N 3.29Å; R576-P629 HydrophobicContact CG-CB 4.11Å; R576-K630 WeakPolarHBondContact CA-O 3.27Å; R576-Y631 HydrophobicContact CB-CD1 4.5Å; R576-Y631 HydrophobicContact CG-CD1 3.62Å; R576-Y631 HydrophobicContact CG-CE1 3.24Å; R576-Y631 PolarHBondContact NE-OH 3.09Å; R576-Y631 PolarHBondContact NH2-OH 3.2Å
577L76.4Confident62Low41 Ų4191.7 Ų91.722%0.21549%0.486CS..PPolyproline II helixtrans-85.7144.4167.3-59.5178.1000108.4P559 L562 K630 L632P559-L577 HydrophobicContact CG-CD2 3.78Å; L562-L577 HydrophobicContact CD1-CD2 3.97Å; L577-K630 HydrophobicContact CB-CB 4.11Å; L577-K630 HydrophobicContact CD1-CB 4.21Å; L577-K630 PolarHBondContact N-O 3.26Å; L577-L632 HydrophobicContact CD2-CB 4.06Å; L577-L632 HydrophobicContact CD2-CD1 4.48Å; L577-L632 HydrophobicContact CG-CB 4.48Å
578R66.5Low59.4Low120 Ų12099.5 Ų99.545%0.45353%0.526SS..PPolyproline II helixtrans-67.3142.5169.2-160.5174.3-173.4-165.4-7.7109.1Y561 E582 D583Y561-R578 PolarHBondContact OH-N 3.11Å; Y561-R578 VanDerWaalsContact OH-N 3.16Å; R578-E582 PolarHBondContact NH2-O 2.87Å; R578-D583 IonicContact CZ-OD1 2.71Å; R578-D583 IonicContact CZ-OD2 2.76Å; R578-D583 IonicContact NE-OD2 2.69Å; R578-D583 IonicContact NH1-OD1 2.86Å; R578-D583 PolarHBondContact NH1-OD1 3.48Å; R578-D583 IonicContact NH1-OD2 3.24Å; R578-D583 PolarHBondContact NH1-OD2 3.44Å; R578-D583 VanDerWaalsContact NH2-CG 3.3Å; R578-D583 IonicContact NH2-OD1 2.73Å; R578-D583 PolarHBondContact NH2-OD1 3.3Å; R578-D583 IonicContact NH2-OD2 3.83Å
579N56.4Low56.9Low49 Ų49100.4 Ų100.426%0.26254%0.539SS..PPolyproline II helixtrans-84.3131.9167.7-69.2-27.7000107.9D581 E582N579-D581 PolarHBondContact O-N 3.39Å; N579-E582 PolarHBondContact O-N 2.94Å
580D50.4Low54.1Low132 Ų132107 Ų10771%0.70655%0.551SS**G310 helixtrans-66.8-7.8-173.9-53.8-65.5000113.8
581D40Very low51.3Low141 Ų141112.7 Ų112.775%0.75458%0.582SS**G310 helixtrans-78.9-11.3179.2-58.3-55.8000114.2N579N579-D581 PolarHBondContact O-N 3.39Å
582E40.9Very low48.7Very low140 Ų140118.1 Ų118.165%0.65460%0.6SS**G310 helixtrans-94.615.9-177-69.3-172.9171.800114.8R578 N579R578-E582 PolarHBondContact NH2-O 2.87Å; N579-E582 PolarHBondContact O-N 2.94Å
583D36.5Very low46Very low102 Ų102121.1 Ų121.155%0.54562%0.622SS.*SBendtrans-120.410.6-176.6-88.5-43000115.2R578R578-D583 IonicContact CZ-OD1 2.71Å; R578-D583 IonicContact CZ-OD2 2.76Å; R578-D583 IonicContact NE-OD2 2.69Å; R578-D583 IonicContact NH1-OD1 2.86Å; R578-D583 PolarHBondContact NH1-OD1 3.48Å; R578-D583 IonicContact NH1-OD2 3.24Å; R578-D583 PolarHBondContact NH1-OD2 3.44Å; R578-D583 VanDerWaalsContact NH2-CG 3.3Å; R578-D583 IonicContact NH2-OD1 2.73Å; R578-D583 PolarHBondContact NH2-OD1 3.3Å; R578-D583 IonicContact NH2-OD2 3.83Å
584I33.6Very low43.4Very low143 Ų143124.2 Ų124.273%0.73365%0.653SS**SBendtrans-87.4-28-179.5-64.3179.7000112.7
585D27.5Very low40.5Very low149 Ų149126.5 Ų126.580%0.79767%0.671SS**SBendtrans-102.787179-73.7-33.9000111.9
586I28.4Very low37.9Very low165 Ų165133.9 Ų133.985%0.84671%0.708SS**SBendtrans172.784.4142.2-82.9147.6000107.6
587S25.9Very low35.3Very low111 Ų111133.5 Ų133.578%0.77672%0.717SS**SBendtrans172.786144.642.30000111.4
588L27.9Very low32.8Very low173 Ų173138.4 Ų138.491%0.90674%0.744SS**SBendtrans173.561.3147.1-95.6162.6000114.4
589T28.6Very low30.8Very low134 Ų134142.1 Ų142.182%0.82276%0.763SS**  trans-165.9106.1148.820.70000108.3
590R25.3Very low29.3Very low226 Ų226144.6 Ų144.685%0.85378%0.783SS**  60.7107.5100.1-86-174.7170.4168-1.4114.9
591N24.4Very low28.1Very low150 Ų150144.7 Ų144.780%0.80279%0.789SS**  trans38.8109140.9-55.21.5000117.9
592E27.7Very low27.3Very low199 Ų199147.8 Ų147.893%0.9380%0.796SS**  -159.8158.7114.6-111164-149.200112.2
593T25.3Very low26.5Very low144 Ų144145.4 Ų145.488%0.88380%0.795SS**  trans-93129.9-16948.70000112.3
594G26.6Very low26Very low78 Ų78146.7 Ų146.780%0.80481%0.808SS**  trans-172.9111.7168.700000112.9
595S22.2Very low25.7Very low108 Ų108147 Ų14776%0.75581%0.81SS**  trans-76.2144.2162.155.60000110.1
596I27.7Very low25.6Very low162 Ų162146.6 Ų146.683%0.83181%0.808SS**  trans-180136.7135.2-94.3149.5000108.8
597D23Very low25.4Very low136 Ų136143.9 Ų143.973%0.72780%0.804SS**  trans-71.5169.3176.3-53-79.4000113.7
598N24.6Very low25.4Very low145 Ų145142.2 Ų142.278%0.77580%0.804SS**  trans96.4157.7164.8-50.7-69.7000117.8
599F24.6Very low25.2Very low198 Ų198140 Ų14087%0.86880%0.803SS**  trans76.7121.7-167.5-62.3-83.2000114.4
600C25.3Very low25Very low100 Ų100141.1 Ų141.168%0.67680%0.803SS**  cis-130.5129.91.9-82.20000112.8
601T23.3Very low25Very low134 Ų134134.8 Ų134.882%0.82279%0.791SS**  trans-64.3127.8159.145.70000110.9
602F24.5Very low25.1Very low207 Ų207135.4 Ų135.491%0.90880%0.8SS**  trans-106.6107.3152.7-86.4-79.3000109
603S23.4Very low25Very low90 Ų90128.7 Ų128.763%0.62978%0.775SS**  trans-75.7144.8-176.945.10000112.6
604P25.6Very low25Very low128 Ų128129.8 Ų129.883%0.83176%0.763SS**  trans-79123.5177.931.7-33.2000111.7
605I27.3Very low25.1Very low149 Ų149131.7 Ų131.776%0.76476%0.764SS**  trans-129.992.9168.3-55.5178.3000105.5
606N25.8Very low25.3Very low141 Ų141129.6 Ų129.675%0.75476%0.759SS**  70.6111.886.3-152.730000113.7
607S25.4Very low25.3Very low109 Ų109123.8 Ų123.876%0.76273%0.733SS**  trans45.799154.861.40000119.3
608G24.1Very low25.5Very low75 Ų75121.6 Ų121.677%0.77373%0.725SS**  trans-175.7114.516500000112.8L610G608-L610 PolarHBondContact O-N 3.14Å
609S24.3Very low25.6Very low127 Ų127116.2 Ų116.289%0.88870%0.703SS**  trans-72.9115.3178.9500000112.4
610L24.6Very low25.7Very low158 Ų158108.1 Ų108.183%0.82768%0.676SS**  trans-137.2132.2166.7-88.4156.9000108.7G608G608-L610 PolarHBondContact O-N 3.14Å
611P25.4Very low25.7Very low93 Ų93109.2 Ų109.260%0.60468%0.684SS**  trans-80.8129.2-168.430.8-34000112.2S613P611-S613 VanDerWaalsContact C-N 3.3Å; P611-S613 PolarHBondContact O-N 3.29Å
612V26.3Very low25.9Very low162 Ų162105.1 Ų105.198%0.98267%0.669SS**  trans-69.692.4165.7178.80000108.4
613S26.2Very low26Very low59 Ų5999.3 Ų99.341%0.41365%0.645SS.*  trans-130.9146.5173.363.80000109.2P611P611-S613 VanDerWaalsContact C-N 3.3Å; P611-S613 PolarHBondContact O-N 3.29Å
614R25.4Very low26.3Very low166 Ų166104.9 Ų104.963%0.62665%0.653SS**  trans69.280.4177.5-48.4-168.9-165.8-142.19.3118.5L1191R614-L1191 HydrophobicContact CG-CD1 3.35Å; R614-L1191 VanDerWaalsContact CZ-CB 3.45Å
615S28Very low26.4Very low119 Ų119106.3 Ų106.383%0.83265%0.653SS**  -170.7120.4119.760.10000107
616G26.8Very low26.7Very low63 Ų63106.8 Ų106.865%0.64966%0.656SS**  cis116.264.235.200000107.9V618G616-V618 VanDerWaalsContact C-N 3.34Å; G616-V618 PolarHBondContact O-N 2.98Å
617S26.8Very low27.1Very low40 Ų40106.8 Ų106.828%0.2866%0.662SS.*  trans-85.290164.7-175.80000106.7G619 E1187S617-G619 PolarHBondContact O-N 3.38Å; S617-E1187 VanDerWaalsContact CB-CD 3.4Å; S617-E1187 VanDerWaalsContact CB-OE1 3.31Å; S617-E1187 WeakPolarHBondContact CB-OE1 3.33Å; S617-E1187 WeakPolarHBondContact CB-OE2 3.4Å; S617-E1187 WeakPolarHBondContact O-CB 3.27Å; S617-E1187 PolarHBondContact OG-OE1 3.2Å; S617-E1187 PolarHBondContact OG-OE2 3.05Å
618V27.8Very low28.1Very low91 Ų91103.8 Ų103.855%0.55265%0.648SS**  trans-75.6106.7158.9171.90000105.1G616 I1188G616-V618 VanDerWaalsContact C-N 3.34Å; G616-V618 PolarHBondContact O-N 2.98Å; V618-I1188 HydrophobicContact CG2-CD1 4.35Å
619G26.7Very low29.5Very low32 Ų32102.9 Ų102.933%0.3363%0.628SS.*  trans-74.2-15.8177.200000112.7S617 S621 D1185S617-G619 PolarHBondContact O-N 3.38Å; G619-S621 PolarHBondContact O-N 3.43Å; G619-D1185 PolarHBondContact N-OD1 2.7Å
620G26.1Very low31.7Very low28 Ų28102.8 Ų102.829%0.28961%0.612SS.*SBendtrans-57125.7174.400000113.1G622G620-G622 PolarHBondContact O-N 2.91Å
621S26.1Very low34.2Very low122 Ų12299.5 Ų99.585%0.85359%0.589SS**SBendtrans-65.993.6170.659.20000110.4G619G619-S621 PolarHBondContact O-N 3.43Å
622G27.4Very low36.7Very low49 Ų4995.7 Ų95.751%0.50556%0.564SS.*  trans-161.3103.2175.100000108.9G620 Y624G620-G622 PolarHBondContact O-N 2.91Å; G622-Y624 PolarHBondContact O-N 3.38Å
623E25.9Very low39.2Very low85 Ų8594.6 Ų94.640%0.39754%0.542SS..  trans-58.5124.5167.7-62.7159.382.100109.1S1223 D1224E623-S1223 WeakPolarHBondContact OE2-CA 3.4Å; E623-S1223 WeakPolarHBondContact OE2-CB 3.39Å; E623-D1224 VanDerWaalsContact CD-OD2 3.29Å; E623-D1224 WeakPolarHBondContact OE2-CA 3.44Å; E623-D1224 WeakPolarHBondContact OE2-CB 3.32Å; E623-D1224 VanDerWaalsContact OE2-CG 3.28Å; E623-D1224 PolarHBondContact OE2-N 2.96Å
624Y29.8Very low41.6Very low207 Ų20793.7 Ų93.781%0.81253%0.531SS*.  trans-118.9126.5152.9-69.5-82.5000106.2G622 L626G622-Y624 PolarHBondContact O-N 3.38Å; Y624-L626 PolarHBondContact O-N 2.91Å
625L29Very low44.4Very low157 Ų15785.8 Ų85.882%0.82250%0.501SS*.  trans-6686.1171.8-86.289.6000109.7
626L32.3Very low47.2Very low159 Ų15983.3 Ų83.383%0.83247%0.474SS*.  trans-119.8118.3145-77.4162.5000104.4Y624 G628Y624-L626 PolarHBondContact O-N 2.91Å; L626-G628 PolarHBondContact O-N 3.3Å
627T34.8Very low50.3Low141 Ų14180.3 Ų80.387%0.86544%0.443SS*.  trans-73.157.4-17841.60000111.5
628G45.7Very low53.3Low46 Ų4678.5 Ų78.547%0.47443%0.431SS..PPolyproline II helixtrans-72.7150.3171.100000111.1L626 K630L626-G628 PolarHBondContact O-N 3.3Å; G628-K630 PolarHBondContact O-N 2.7Å
629P54.9Low56.3Low56 Ų5675.3 Ų75.336%0.36441%0.412SS..PPolyproline II helixtrans-59.6129.3175.224.5-33.3000110.4R576 Y631R576-P629 HydrophobicContact CG-CB 4.11Å; P629-Y631 HydrophobicContact CB-CE2 4.43Å; P629-Y631 HydrophobicContact CG-CE2 3.89Å; P629-Y631 WeakPolarHBondContact O-CD2 3.36Å; P629-Y631 WeakPolarHBondContact O-CE2 3.34Å
630K69.9Low59.3Low125 Ų12573.9 Ų73.954%0.54340%0.397SS..PPolyproline II helixtrans-67.2139.3171.6-67.7172-178167.60108.8R576 L577 G628R576-K630 WeakPolarHBondContact CA-O 3.27Å; L577-K630 HydrophobicContact CB-CB 4.11Å; L577-K630 HydrophobicContact CD1-CB 4.21Å; L577-K630 PolarHBondContact N-O 3.26Å; G628-K630 PolarHBondContact O-N 2.7Å
631Y77.1Confident62.3Low89 Ų8975.4 Ų75.435%0.34940%0.401SS..EExtended strand (participates in β ladder)trans-117.5144.8178.3-66.2-90.2000111.8P574 V575 R576 P629 R633P574-Y631 HydrophobicContact CB-CD1 3.75Å; P574-Y631 HydrophobicContact CB-CE1 4.14Å; P574-Y631 HydrophobicContact CG-CD1 3.9Å; P574-Y631 HydrophobicContact CG-CE1 3.74Å; V575-Y631 CarbonylContact O-C 3.56Å; V575-Y631 WeakPolarHBondContact O-CA 3.48Å; R576-Y631 HydrophobicContact CB-CD1 4.5Å; R576-Y631 HydrophobicContact CG-CD1 3.62Å; R576-Y631 HydrophobicContact CG-CE1 3.24Å; R576-Y631 PolarHBondContact NE-OH 3.09Å; R576-Y631 PolarHBondContact NH2-OH 3.2Å; P629-Y631 HydrophobicContact CB-CE2 4.43Å; P629-Y631 HydrophobicContact CG-CE2 3.89Å; P629-Y631 WeakPolarHBondContact O-CD2 3.36Å; P629-Y631 WeakPolarHBondContact O-CE2 3.34Å; Y631-R633 PolarHBondContact O-N 2.93Å
632L78.2Confident65.3Low13 Ų1372.6 Ų72.67%0.06837%0.374CS..EExtended strand (participates in β ladder)trans-76.2107.7172.2-173.462.8000109.5V558 L562 V575 L577 H634 V635V558-L632 HydrophobicContact CG1-CD2 4.34Å; V558-L632 HydrophobicContact CG2-CD2 4.32Å; L562-L632 HydrophobicContact CD1-CD2 3.89Å; V575-L632 HydrophobicContact CB-CB 4.28Å; V575-L632 HydrophobicContact CG1-CB 4.43Å; V575-L632 PolarHBondContact O-N 2.9Å; L577-L632 HydrophobicContact CD2-CB 4.06Å; L577-L632 HydrophobicContact CD2-CD1 4.48Å; L577-L632 HydrophobicContact CG-CB 4.48Å; L632-H634 PolarHBondContact O-N 3.43Å; L632-V635 HydrophobicContact CB-CB 4.47Å; L632-V635 HydrophobicContact CD2-CB 3.91Å; L632-V635 HydrophobicContact CD2-CG1 4.27Å; L632-V635 HydrophobicContact CD2-CG2 3.67Å; L632-V635 HydrophobicContact CG-CB 4.1Å; L632-V635 HydrophobicContact CG-CG2 3.81Å; L632-V635 PolarHBondContact O-N 3.24Å
633R77.5Confident68.2Low139 Ų13970.2 Ų70.253%0.52535%0.35SS..EExtended strand (participates in β ladder)trans-60.4133-173.7-64.6-168-177.6-158.8-0.1112Y631 V635Y631-R633 PolarHBondContact O-N 2.93Å; R633-V635 VanDerWaalsContact C-N 3.28Å; R633-V635 PolarHBondContact O-N 3.09Å
634H76.6Confident71.1Confident41 Ų4166.2 Ų66.219%0.1933%0.331CS..EExtended strand (participates in β ladder)trans61.825.6179.3-47-67.3000115.4G550 K552 F553 L632G550-H634 PolarHBondContact N-O 3.46Å; K552-H634 WeakPolarHBondContact CB-CD2 3.49Å; K552-H634 VanDerWaalsContact CB-NE2 3.34Å; K552-H634 WeakPolarHBondContact CB-NE2 3.42Å; K552-H634 PolarHBondContact O-CD2 2.99Å; F553-H634 HydrophobicContact CB-CB 4.24Å; L632-H634 PolarHBondContact O-N 3.43Å
635V85.1Confident73.7Confident0 Ų056.4 Ų56.40%029%0.293CS..EExtended strand (participates in β ladder)trans-123.7123.3168-172.60000109.8F547 L549 F553 V575 L632 R633 L687F547-V635 HydrophobicContact CD1-CG1 3.89Å; L549-V635 HydrophobicContact CD2-CG1 4.23Å; L549-V635 HydrophobicContact CD2-CG2 4.04Å; F553-V635 HydrophobicContact CD2-CG2 3.34Å; F553-V635 HydrophobicContact CE2-CG2 3.38Å; V575-V635 HydrophobicContact CG2-CB 4.41Å; V575-V635 HydrophobicContact CG2-CG1 3.84Å; V575-V635 PolarHBondContact N-O 3.45Å; V575-V635 VanDerWaalsContact N-O 3.15Å; L632-V635 HydrophobicContact CB-CB 4.47Å; L632-V635 HydrophobicContact CD2-CB 3.91Å; L632-V635 HydrophobicContact CD2-CG1 4.27Å; L632-V635 HydrophobicContact CD2-CG2 3.67Å; L632-V635 HydrophobicContact CG-CB 4.1Å; L632-V635 HydrophobicContact CG-CG2 3.81Å; L632-V635 PolarHBondContact O-N 3.24Å; R633-V635 VanDerWaalsContact C-N 3.28Å; R633-V635 PolarHBondContact O-N 3.09Å; V635-L687 HydrophobicContact CG1-CD1 4.41Å; V635-L687 HydrophobicContact CG1-CD2 4.2Å
636Y87.5Confident76.1Confident66 Ų6649.1 Ų49.126%0.25925%0.254SS..EExtended strand (participates in β ladder)trans-127156.1177.4-46.2-94.1000109.8F547 V548 G573 P574 C676F547-Y636 CarbonylContact C-O 3.59Å; F547-Y636 VanDerWaalsContact CA-O 3.31Å; F547-Y636 WeakPolarHBondContact CA-O 3.44Å; V548-Y636 PolarHBondContact N-O 3Å; V548-Y636 PolarHBondContact O-N 3.36Å; G573-Y636 CarbonylContact O-C 3.52Å; G573-Y636 VanDerWaalsContact O-CA 3.3Å; G573-Y636 WeakPolarHBondContact O-CA 3.35Å; P574-Y636 HydrophobicContact CB-CD1 3.77Å; P574-Y636 HydrophobicContact CB-CE1 3.96Å; Y636-C676 HydrophobicContact CD1-CB 4.32Å; Y636-C676 HydrophobicContact CD2-CB 4.09Å; Y636-C676 HydrophobicContact CG-CB 3.81Å
637V90.4Very high77.8Confident0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-108.4123.2170.3177.60000108K545 L546 F547 P567 L570 L572 G573 V575K545-V637 HydrophobicContact CB-CG1 4.17Å; K545-V637 HydrophobicContact CD-CG1 4.01Å; L546-V637 WeakPolarHBondContact O-CA 3.43Å; F547-V637 HydrophobicContact CD1-CG2 3.74Å; F547-V637 HydrophobicContact CE1-CG2 3.69Å; P567-V637 HydrophobicContact CB-CG1 4.24Å; L570-V637 HydrophobicContact CB-CG2 4Å; L570-V637 HydrophobicContact CD1-CG2 3.97Å; L572-V637 WeakPolarHBondContact CA-O 3.21Å; L572-V637 HydrophobicContact CD2-CG1 4.35Å; G573-V637 PolarHBondContact N-O 2.76Å; G573-V637 PolarHBondContact O-N 2.87Å; V575-V637 HydrophobicContact CG2-CG2 3.77Å
638A89.7Confident79Confident2 Ų235.9 Ų35.92%0.01718%0.179CC..EExtended strand (participates in β ladder)trans-128.4149.1179.900000111.4K545 L546 V548 D672 L673K545-A638 CarbonylContact C-O 3.48Å; K545-A638 WeakPolarHBondContact CA-O 3.19Å; L546-A638 PolarHBondContact N-O 3.36Å; L546-A638 PolarHBondContact O-N 2.95Å; V548-A638 HydrophobicContact CG2-CB 3.53Å; A638-D672 HydrophobicContact CB-CB 4.45Å; A638-L673 HydrophobicContact CB-CB 4.02Å; A638-L673 HydrophobicContact CB-CD1 3.92Å
639C91.3Very high79.8Confident25 Ų2533.7 Ų33.717%0.16916%0.156CC..EExtended strand (participates in β ladder)trans-97.2132.8175.1-172.50000110.8G543 L572 V641G543-C639 PolarHBondContact O-SG 3.15Å; L572-C639 HydrophobicContact CD2-CB 3.97Å; C639-V641 PolarHBondContact O-N 3.22Å
640V90.8Very high80.2Confident1 Ų132.5 Ų32.51%0.00615%0.146CC..  trans-79.6111.6168178.60000108.2G543 Q544 L546 V643 L668G543-V640 PolarHBondContact N-O 3.44Å; Q544-V640 PolarHBondContact O-N 3.15Å; L546-V640 HydrophobicContact CD1-CG2 4.25Å; V640-V643 HydrophobicContact CG1-CG2 3.85Å; V640-L668 HydrophobicContact CG1-CD2 4Å
641V88.2Confident80Confident61 Ų6130.5 Ų30.537%0.3715%0.148SC..  trans-80.2-45.6-178.6177.90000111.4P542 C639 T669P542-V641 WeakPolarHBondContact CB-O 3.39Å; C639-V641 PolarHBondContact O-N 3.22Å; V641-T669 WeakPolarHBondContact CA-O 3.25Å; V641-T669 WeakPolarHBondContact CB-O 3.25Å; V641-T669 PolarHBondContact N-O 3.06Å
642H88.2Confident79.6Confident62 Ų6228.8 Ų28.829%0.28715%0.145SC..EExtended strand (participates in β ladder)trans-139.5148.1173.2-52.8-45.2000111.5L644 K655 T669H642-L644 HydrophobicContact CB-CD2 4.29Å; H642-K655 PolarHBondContact CD2-NZ 3.28Å; H642-K655 PolarHBondContact NE2-NZ 3.17Å; H642-T669 VanDerWaalsContact CB-OG1 3.3Å; H642-T669 WeakPolarHBondContact CB-OG1 3.24Å; H642-T669 PolarHBondContact N-O 3.36Å; H642-T669 PolarHBondContact N-OG1 2.92Å; H642-T669 PolarHBondContact O-N 2.62Å; H642-T669 PolarHBondContact O-OG1 3.37Å
643V89.5Confident79.4Confident0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-106.5130.4168.1-172.60000108V540 V640 L656 V660 V666 L668V540-V643 HydrophobicContact CG1-CG2 3.98Å; V640-V643 HydrophobicContact CG1-CG2 3.85Å; V643-L656 PolarHBondContact O-N 2.78Å; V643-V660 HydrophobicContact CG1-CG2 3.69Å; V643-V666 HydrophobicContact CG1-CB 3.98Å; V643-V666 HydrophobicContact CG1-CG1 3.94Å; V643-V666 HydrophobicContact CG1-CG2 4.4Å; V643-L668 HydrophobicContact CB-CD2 4.49Å; V643-L668 HydrophobicContact CG1-CD2 4.18Å; V643-L668 HydrophobicContact CG2-CD2 4.06Å
644L87.4Confident79.4Confident0 Ų023.9 Ų23.90%013%0.128CC..EExtended strand (participates in β ladder)trans-120129-173.4-55.4-179.6000110.5I530 H642 F653 K655 G667 T669I530-L644 HydrophobicContact CD1-CD1 3.69Å; I530-L644 HydrophobicContact CG1-CD1 4.17Å; I530-L644 HydrophobicContact CG2-CD1 4.17Å; H642-L644 HydrophobicContact CB-CD2 4.29Å; L644-F653 HydrophobicContact CB-CB 4.41Å; L644-F653 HydrophobicContact CB-CD1 4.24Å; L644-F653 HydrophobicContact CD1-CB 4.37Å; L644-F653 HydrophobicContact CD1-CD1 4.07Å; L644-F653 HydrophobicContact CD1-CG 4.25Å; L644-F653 HydrophobicContact CD2-CB 4.46Å; L644-K655 HydrophobicContact CD2-CB 4.35Å; L644-K655 HydrophobicContact CD2-CG 3.63Å; L644-G667 WeakPolarHBondContact CB-O 3.44Å; L644-G667 PolarHBondContact N-O 3.39Å; L644-G667 PolarHBondContact O-N 3.41Å; L644-T669 HydrophobicContact CD1-CG2 3.67Å; L644-T669 HydrophobicContact CG-CG2 4.33Å
645Q84.3Confident79.6Confident2 Ų225.1 Ų25.11%0.00913%0.133CC..EExtended strand (participates in β ladder)trans-90.1131.5163.8-168.165.947.300109.7L647 F653 V654 L656 N664Q645-L647 HydrophobicContact CG-CD2 3.9Å; Q645-L647 HydrophobicContact CG-CG 4.44Å; Q645-F653 WeakPolarHBondContact O-CA 3.42Å; Q645-V654 PolarHBondContact N-O 2.82Å; Q645-V654 PolarHBondContact O-N 2.99Å; Q645-L656 HydrophobicContact CB-CD1 3.93Å; Q645-L656 HydrophobicContact CB-CD2 4.27Å; Q645-L656 HydrophobicContact CB-CG 4.05Å; Q645-N664 PolarHBondContact OE1-ND2 3.08Å
646L79.1Confident79.4Confident3 Ų326.2 Ų26.22%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-83.9117.4176.3-65.1125.1000109.8V73 G75 F456 L532 F653V73-L646 HydrophobicContact CB-CD1 4.12Å; V73-L646 HydrophobicContact CG1-CD1 4.19Å; G75-L646 PolarHBondContact N-O 3.23Å; F456-L646 HydrophobicContact CZ-CD2 4.27Å; L532-L646 HydrophobicContact CD1-CD1 3.8Å; L646-F653 HydrophobicContact CD2-CD1 4.15Å; L646-F653 HydrophobicContact CD2-CE1 3.58Å; L646-F653 HydrophobicContact CG-CD1 4.36Å; L646-F653 HydrophobicContact CG-CE1 4.25Å
647L66.8Low79Confident22 Ų2230 Ų3012%0.11516%0.163CC..EExtended strand (participates in β ladder)trans-120.4-17.3-178.8-63.2-172.9000114.8L8 Q645 D652 V654L8-L647 HydrophobicContact CD1-CD1 3.44Å; L8-L647 VanDerWaalsContact CD1-CD1 3.44Å; L8-L647 HydrophobicContact CD1-CD2 3.5Å; L8-L647 VanDerWaalsContact CD1-CD2 3.5Å; L8-L647 HydrophobicContact CD1-CG 4.11Å; L8-L647 HydrophobicContact CD2-CD2 4Å; L8-L647 HydrophobicContact CG-CD2 4.42Å; Q645-L647 HydrophobicContact CG-CD2 3.9Å; Q645-L647 HydrophobicContact CG-CG 4.44Å; L647-D652 PolarHBondContact N-O 3.38Å; L647-D652 VanDerWaalsContact N-O 3.14Å; L647-V654 HydrophobicContact CD1-CB 4.16Å; L647-V654 HydrophobicContact CD1-CG2 3.43Å; L647-V654 VanDerWaalsContact CD1-CG2 3.43Å; L647-V654 HydrophobicContact CG-CG2 4.25Å
648G61.2Low78.6Confident0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-152.567.4-178.400000111.8Y55 D652Y55-G648 WeakPolarHBondContact OH-CA 3.44Å; Y55-G648 PolarHBondContact OH-O 2.84Å; G648-D652 PolarHBondContact N-O 2.83Å; G648-D652 PolarHBondContact O-N 2.76Å
649G62.9Low78.3Confident0 Ų037.3 Ų37.30%020%0.203CC..THydrogen-bonded Turntrans62.5-153.6-179.400000113S651G649-S651 PolarHBondContact O-N 2.9Å
650Q63.5Low78.1Confident31 Ų3136.1 Ų36.115%0.14520%0.195CC..THydrogen-bonded Turntrans-80.513-178.5-61.4-179.81.900113.8S71 S72 F456 T458 F653S71-Q650 PolarHBondContact O-NE2 3.31Å; S72-Q650 PolarHBondContact OG-NE2 3.5Å; F456-Q650 HydrophobicContact CD2-CG 4.46Å; F456-Q650 HydrophobicContact CE2-CB 4.43Å; F456-Q650 HydrophobicContact CE2-CG 4.41Å; T458-Q650 WeakPolarHBondContact CG2-O 3.41Å; Q650-F653 VanDerWaalsContact C-CZ 3.44Å; Q650-F653 VanDerWaalsContact O-CE2 3.25Å; Q650-F653 WeakPolarHBondContact O-CE2 3.22Å; Q650-F653 VanDerWaalsContact O-CZ 3.23Å; Q650-F653 WeakPolarHBondContact O-CZ 3.35Å
651S63.9Low77.9Confident83 Ų8336.5 Ų36.558%0.5820%0.197SC*.THydrogen-bonded Turntrans-126.4-17-177.667.80000115.7G649G649-S651 PolarHBondContact O-N 2.9Å
652D69.9Low77.9Confident54 Ų5433.6 Ų33.629%0.28918%0.18SC..EExtended strand (participates in β ladder)trans-118.4104.8178.1-171.617.3000111.7L647 G648L647-D652 PolarHBondContact N-O 3.38Å; L647-D652 VanDerWaalsContact N-O 3.14Å; G648-D652 PolarHBondContact N-O 2.83Å; G648-D652 PolarHBondContact O-N 2.76Å
653F73.8Confident77.8Confident28 Ų2830.6 Ų30.612%0.12317%0.166CC..EExtended strand (participates in β ladder)trans-116.6139.3-177.9-54.1-86.8000110.9F456 T458 L461 I530 L644 Q645 L646 Q650F456-F653 HydrophobicContact CE2-CE1 4.1Å; F456-F653 AromaticContact CE2-CZ 3.87Å; F456-F653 HydrophobicContact CE2-CZ 3.87Å; F456-F653 AromaticContact CZ-CE1 3.95Å; F456-F653 HydrophobicContact CZ-CE1 3.95Å; F456-F653 HydrophobicContact CZ-CZ 4.21Å; T458-F653 HydrophobicContact CG2-CE2 3.72Å; T458-F653 HydrophobicContact CG2-CZ 3.62Å; L461-F653 HydrophobicContact CD2-CB 4.21Å; L461-F653 HydrophobicContact CD2-CD2 3.47Å; L461-F653 VanDerWaalsContact CD2-CD2 3.47Å; L461-F653 HydrophobicContact CD2-CE2 4.15Å; L461-F653 HydrophobicContact CD2-CG 4.05Å; I530-F653 HydrophobicContact CD1-CD1 4.13Å; I530-F653 HydrophobicContact CD1-CD2 4.5Å; I530-F653 HydrophobicContact CD1-CE1 3.61Å; I530-F653 HydrophobicContact CD1-CE2 4.03Å; I530-F653 HydrophobicContact CD1-CZ 3.57Å; L644-F653 HydrophobicContact CB-CB 4.41Å; L644-F653 HydrophobicContact CB-CD1 4.24Å; L644-F653 HydrophobicContact CD1-CB 4.37Å; L644-F653 HydrophobicContact CD1-CD1 4.07Å; L644-F653 HydrophobicContact CD1-CG 4.25Å; L644-F653 HydrophobicContact CD2-CB 4.46Å; Q645-F653 WeakPolarHBondContact O-CA 3.42Å; L646-F653 HydrophobicContact CD2-CD1 4.15Å; L646-F653 HydrophobicContact CD2-CE1 3.58Å; L646-F653 HydrophobicContact CG-CD1 4.36Å; L646-F653 HydrophobicContact CG-CE1 4.25Å; Q650-F653 VanDerWaalsContact C-CZ 3.44Å; Q650-F653 VanDerWaalsContact O-CE2 3.25Å; Q650-F653 WeakPolarHBondContact O-CE2 3.22Å; Q650-F653 VanDerWaalsContact O-CZ 3.23Å; Q650-F653 WeakPolarHBondContact O-CZ 3.35Å
654V77.6Confident77.8Confident20 Ų2030.6 Ų30.612%0.12117%0.166CC..EExtended strand (participates in β ladder)trans-106.7117.7166.4172.80000109.1Q645 L647 L656Q645-V654 PolarHBondContact N-O 2.82Å; Q645-V654 PolarHBondContact O-N 2.99Å; L647-V654 HydrophobicContact CD1-CB 4.16Å; L647-V654 HydrophobicContact CD1-CG2 3.43Å; L647-V654 VanDerWaalsContact CD1-CG2 3.43Å; L647-V654 HydrophobicContact CG-CG2 4.25Å; V654-L656 HydrophobicContact CG1-CD2 4.27Å; V654-L656 PolarHBondContact O-N 3.43Å
655K80.5Confident78Confident68 Ų6830.6 Ų30.630%0.29617%0.166SC..EExtended strand (participates in β ladder)trans-62.2119.1168.5-65.7-168.5176.7-170.70108.7L463 H642 L644L463-K655 HydrophobicContact CD2-CD 4.24Å; H642-K655 PolarHBondContact CD2-NZ 3.28Å; H642-K655 PolarHBondContact NE2-NZ 3.17Å; L644-K655 HydrophobicContact CD2-CB 4.35Å; L644-K655 HydrophobicContact CD2-CG 3.63Å
656L81.3Confident78.3Confident22 Ų2230.5 Ų30.512%0.11517%0.166CC..EExtended strand (participates in β ladder)trans-90.4125.6172.7-63.6-176000108.8V643 Q645 V654 V660V643-L656 PolarHBondContact O-N 2.78Å; Q645-L656 HydrophobicContact CB-CD1 3.93Å; Q645-L656 HydrophobicContact CB-CD2 4.27Å; Q645-L656 HydrophobicContact CB-CG 4.05Å; V654-L656 HydrophobicContact CG1-CD2 4.27Å; V654-L656 PolarHBondContact O-N 3.43Å; L656-V660 HydrophobicContact CB-CG2 4.21Å; L656-V660 HydrophobicContact CD1-CG2 3.46Å; L656-V660 VanDerWaalsContact CD1-CG2 3.46Å; L656-V660 HydrophobicContact CG-CG2 4.49Å
657L79.7Confident78.8Confident145 Ų14530.4 Ų30.476%0.75917%0.165SC*.  trans-96.7-20.5175.5-62.2175.6000112.1
658E81.1Confident80Confident84 Ų8429.3 Ų29.339%0.39316%0.159SC..SBendtrans-88151.2176.9-64.4-173.6-167.700110.7K13 V660K13-E658 WeakPolarHBondContact CE-OE2 3.34Å; K13-E658 IonicContact NZ-OE1 2.73Å; K13-E658 IonicContact NZ-OE2 3.72Å; K13-E658 PolarHBondContact NZ-OE2 3.07Å; E658-V660 PolarHBondContact O-N 2.69Å
659P83.8Confident81.2Confident72 Ų7230 Ų3047%0.46816%0.164SC..PPolyproline II helixtrans-61.9128.7177.525.5-34.5000111.2V540V540-P659 WeakPolarHBondContact O-CA 3.43Å
660V86.5Confident82.1Confident1 Ų130.3 Ų30.31%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-91.2125.9178.1-169.30000109.2S539 V540 V643 L656 E658 N664 V666S539-V660 CarbonylContact C-O 3.58Å; S539-V660 WeakPolarHBondContact CA-O 3.48Å; S539-V660 WeakPolarHBondContact CB-O 3.38Å; V540-V660 PolarHBondContact N-O 3.04Å; V540-V660 PolarHBondContact O-N 3.33Å; V643-V660 HydrophobicContact CG1-CG2 3.69Å; L656-V660 HydrophobicContact CB-CG2 4.21Å; L656-V660 HydrophobicContact CD1-CG2 3.46Å; L656-V660 VanDerWaalsContact CD1-CG2 3.46Å; L656-V660 HydrophobicContact CG-CG2 4.49Å; E658-V660 PolarHBondContact O-N 2.69Å; V660-N664 HydrophobicContact CG1-CB 3.85Å; V660-N664 VanDerWaalsContact CG1-ND2 3.32Å; V660-N664 WeakPolarHBondContact CG1-ND2 3.45Å; V660-V666 HydrophobicContact CB-CG1 4.41Å; V660-V666 HydrophobicContact CG1-CG1 3.83Å; V660-V666 HydrophobicContact CG2-CG1 4.44Å
661P86.6Confident82.8Confident8 Ų833.4 Ų33.45%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-80.2171.3-179.333.2-35.9000113.2T12 V15 S442T12-P661 WeakPolarHBondContact O-CD 3.48Å; T12-P661 WeakPolarHBondContact O-CG 3.49Å; V15-P661 HydrophobicContact CG2-CB 4.22Å; V15-P661 HydrophobicContact CG2-CG 4.49Å; S442-P661 VanDerWaalsContact CB-CB 3.45Å; S442-P661 WeakPolarHBondContact OG-CB 3.16Å
662S88.4Confident83.6Confident0 Ų032.3 Ų32.30%018%0.177CC..THydrogen-bonded Turntrans-46.2149.3166.148.80000114.1C440 S442 F536 G538 N664C440-S662 WeakPolarHBondContact O-CB 3.4Å; C440-S662 PolarHBondContact O-OG 3.25Å; S442-S662 PolarHBondContact OG-OG 2.64Å; F536-S662 WeakPolarHBondContact O-CB 3.27Å; G538-S662 PolarHBondContact O-N 2.86Å; S662-N664 VanDerWaalsContact C-N 3.34Å; S662-N664 PolarHBondContact O-N 2.82Å
663G85.9Confident84.2Confident0 Ų029.8 Ų29.80%016%0.163CC..THydrogen-bonded Turntrans87.2-14.2179.400000115.4N20 V535N20-G663 PolarHBondContact ND2-O 3.43Å; N20-G663 PolarHBondContact OD1-O 3.23Å; V535-G663 PolarHBondContact O-N 3.31Å
664N89.7Confident84.6Confident0 Ų029.3 Ų29.30%016%0.162CC..  trans-88.4151.9-179.8-161.319.3000113.1I18 N96 V535 Q645 V660 S662I18-N664 HydrophobicContact CD1-CB 4.04Å; N96-N664 PolarHBondContact ND2-OD1 2.69Å; V535-N664 PolarHBondContact N-O 3.42Å; V535-N664 VanDerWaalsContact N-O 3.15Å; Q645-N664 PolarHBondContact OE1-ND2 3.08Å; V660-N664 HydrophobicContact CG1-CB 3.85Å; V660-N664 VanDerWaalsContact CG1-ND2 3.32Å; V660-N664 WeakPolarHBondContact CG1-ND2 3.45Å; S662-N664 VanDerWaalsContact C-N 3.34Å; S662-N664 PolarHBondContact O-N 2.82Å
665I91.3Very high84.5Confident0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-97.8127.5169.7-58.4175.7000108.4N20 V73 N96 V98 L116 L532 A533 R534N20-I665 HydrophobicContact CB-CD1 4.18Å; V73-I665 HydrophobicContact CG1-CG2 4.13Å; N96-I665 HydrophobicContact CB-CD1 4.2Å; V98-I665 HydrophobicContact CG2-CD1 4.17Å; L116-I665 HydrophobicContact CB-CD1 4.18Å; L532-I665 HydrophobicContact CD1-CG2 3.79Å; A533-I665 WeakPolarHBondContact O-CA 3.42Å; R534-I665 HydrophobicContact CB-CG1 4.5Å
666V90.7Very high84.3Confident0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-133.9152.4-174.5-66.10000111.6A533 V535 V643 V660 L668A533-V666 PolarHBondContact N-O 2.87Å; A533-V666 PolarHBondContact O-N 3.38Å; A533-V666 VanDerWaalsContact O-O 3.09Å; V535-V666 HydrophobicContact CG2-CG2 4.09Å; V643-V666 HydrophobicContact CG1-CB 3.98Å; V643-V666 HydrophobicContact CG1-CG1 3.94Å; V643-V666 HydrophobicContact CG1-CG2 4.4Å; V660-V666 HydrophobicContact CB-CG1 4.41Å; V660-V666 HydrophobicContact CG1-CG1 3.83Å; V660-V666 HydrophobicContact CG2-CG1 4.44Å; V666-L668 HydrophobicContact CG2-CD2 3.82Å; V666-L668 HydrophobicContact CG2-CG 4.18Å
667G90.3Very high84.1Confident0 Ų028.1 Ų28.10%017%0.168CC..EExtended strand (participates in β ladder)trans-89.9124.9161.700000110L644L644-G667 WeakPolarHBondContact CB-O 3.44Å; L644-G667 PolarHBondContact N-O 3.39Å; L644-G667 PolarHBondContact O-N 3.41Å
668L90.9Very high83.6Confident0 Ų023.7 Ų23.70%015%0.148CC..EExtended strand (participates in β ladder)trans-103.2134.2172.8-57.2-179.3000109.6I450 A531 A533 V540 V640 V643 V666 L673 L683I450-L668 HydrophobicContact CD1-CD1 4.06Å; I450-L668 HydrophobicContact CG2-CD1 4.26Å; A531-L668 HydrophobicContact CB-CB 4.35Å; A531-L668 PolarHBondContact N-O 3.47Å; A531-L668 PolarHBondContact O-N 2.91Å; A533-L668 HydrophobicContact CB-CD1 3.95Å; A533-L668 HydrophobicContact CB-CG 4.15Å; V540-L668 HydrophobicContact CG1-CD2 4.09Å; V640-L668 HydrophobicContact CG1-CD2 4Å; V643-L668 HydrophobicContact CB-CD2 4.49Å; V643-L668 HydrophobicContact CG1-CD2 4.18Å; V643-L668 HydrophobicContact CG2-CD2 4.06Å; V666-L668 HydrophobicContact CG2-CD2 3.82Å; V666-L668 HydrophobicContact CG2-CG 4.18Å; L668-L673 HydrophobicContact CB-CD2 3.82Å; L668-L673 HydrophobicContact CD1-CD2 4.47Å; L668-L683 HydrophobicContact CD1-CD1 3.74Å
669T88Confident83.4Confident15 Ų1521.9 Ų21.99%0.09214%0.139CC..EExtended strand (participates in β ladder)trans-120.1139.8174.563.10000110.7I530 V641 H642 L644I530-T669 HydrophobicContact CB-CG2 4.4Å; I530-T669 HydrophobicContact CG1-CG2 3.9Å; I530-T669 HydrophobicContact CG2-CG2 4.34Å; V641-T669 WeakPolarHBondContact CA-O 3.25Å; V641-T669 WeakPolarHBondContact CB-O 3.25Å; V641-T669 PolarHBondContact N-O 3.06Å; H642-T669 VanDerWaalsContact CB-OG1 3.3Å; H642-T669 WeakPolarHBondContact CB-OG1 3.24Å; H642-T669 PolarHBondContact N-O 3.36Å; H642-T669 PolarHBondContact N-OG1 2.92Å; H642-T669 PolarHBondContact O-N 2.62Å; H642-T669 PolarHBondContact O-OG1 3.37Å; L644-T669 HydrophobicContact CD1-CG2 3.67Å; L644-T669 HydrophobicContact CG-CG2 4.33Å
670G81.6Confident83.2Confident5 Ų519 Ų195%0.05212%0.121CC..  trans177.1132.2170.500000109.7D672 L673 I674G670-D672 VanDerWaalsContact C-N 3.33Å; G670-D672 PolarHBondContact O-N 3.23Å; G670-L673 WeakPolarHBondContact O-CB 3.39Å; G670-L673 PolarHBondContact O-N 2.94Å; G670-I674 WeakPolarHBondContact O-CG1 3.34Å; G670-I674 PolarHBondContact O-N 3.37Å; G670-I674 VanDerWaalsContact O-N 3.1Å
671P78.3Confident82.8Confident97 Ų9719 Ų1963%0.6312%0.121SC*.Hα-helixtrans-61.7-43.4-177.224.8-32.6000111.1L673 I674 A675P671-L673 PolarHBondContact O-N 3.09Å; P671-I674 PolarHBondContact O-N 3.5Å; P671-A675 WeakPolarHBondContact O-CB 3.35Å; P671-A675 PolarHBondContact O-N 3.18Å
672D80Confident82.8Confident59 Ų5918.7 Ų18.732%0.31612%0.119SC..Hα-helixtrans-65.8-39.7178.9-47.1-54.7000112A638 G670 I674 A675 C676A638-D672 HydrophobicContact CB-CB 4.45Å; G670-D672 VanDerWaalsContact C-N 3.33Å; G670-D672 PolarHBondContact O-N 3.23Å; D672-I674 VanDerWaalsContact C-N 3.34Å; D672-I674 PolarHBondContact O-N 2.85Å; D672-A675 PolarHBondContact O-N 2.93Å; D672-C676 WeakPolarHBondContact O-CB 3.38Å; D672-C676 PolarHBondContact O-N 3.39Å; D672-C676 PolarHBondContact O-SG 2.71Å
673L82.4Confident82.9Confident2 Ų218.7 Ų18.71%0.0112%0.119CC..Hα-helixtrans-59.2-47.2177.6-177.867.7000110.7A531 V548 A638 L668 G670 P671 C676 L677 L683A531-L673 HydrophobicContact CB-CD2 4.5Å; V548-L673 HydrophobicContact CG2-CD1 4.01Å; A638-L673 HydrophobicContact CB-CB 4.02Å; A638-L673 HydrophobicContact CB-CD1 3.92Å; L668-L673 HydrophobicContact CB-CD2 3.82Å; L668-L673 HydrophobicContact CD1-CD2 4.47Å; G670-L673 WeakPolarHBondContact O-CB 3.39Å; G670-L673 PolarHBondContact O-N 2.94Å; P671-L673 PolarHBondContact O-N 3.09Å; L673-C676 PolarHBondContact O-N 3.48Å; L673-L677 HydrophobicContact CD1-CD1 4.25Å; L673-L677 HydrophobicContact CG-CD1 3.93Å; L673-L677 WeakPolarHBondContact O-CD1 3.48Å; L673-L677 WeakPolarHBondContact O-CG 3.4Å; L673-L677 PolarHBondContact O-N 3.3Å; L673-L677 VanDerWaalsContact O-N 3.08Å; L673-L683 HydrophobicContact CD1-CD1 3.9Å; L673-L683 HydrophobicContact CD1-CD2 3.79Å
674I81.1Confident83.1Confident17 Ų1718.8 Ų18.89%0.08712%0.119CC..Hα-helixtrans-80-28.3-173.9-62.6167.5000111.3V455 F529 G670 P671 D672 R748V455-I674 HydrophobicContact CG1-CG2 4.06Å; F529-I674 VanDerWaalsContact C-CD1 3.49Å; F529-I674 HydrophobicContact CB-CD1 3.55Å; F529-I674 HydrophobicContact CB-CG2 3.98Å; F529-I674 HydrophobicContact CG-CG2 4.45Å; F529-I674 WeakPolarHBondContact O-CD1 3.11Å; G670-I674 WeakPolarHBondContact O-CG1 3.34Å; G670-I674 PolarHBondContact O-N 3.37Å; G670-I674 VanDerWaalsContact O-N 3.1Å; P671-I674 PolarHBondContact O-N 3.5Å; D672-I674 VanDerWaalsContact C-N 3.34Å; D672-I674 PolarHBondContact O-N 2.85Å; I674-R748 PolarHBondContact O-NE 3.3Å
675A76.9Confident83Confident63 Ų6319.6 Ų19.652%0.52113%0.125SC..Hα-helixtrans-65-40.416900000112.3P671 D672P671-A675 WeakPolarHBondContact O-CB 3.35Å; P671-A675 PolarHBondContact O-N 3.18Å; D672-A675 PolarHBondContact O-N 2.93Å
676C76.6Confident82.7Confident20 Ų2024.8 Ų24.814%0.13515%0.145CC..Hα-helixtrans-82.9-16.4-177.7-63.70000114.6V548 Y636 D672 L673V548-C676 HydrophobicContact CB-CB 4.46Å; V548-C676 HydrophobicContact CG1-CB 4.42Å; V548-C676 HydrophobicContact CG2-CB 4.31Å; Y636-C676 HydrophobicContact CD1-CB 4.32Å; Y636-C676 HydrophobicContact CD2-CB 4.09Å; Y636-C676 HydrophobicContact CG-CB 3.81Å; D672-C676 WeakPolarHBondContact O-CB 3.38Å; D672-C676 PolarHBondContact O-N 3.39Å; D672-C676 PolarHBondContact O-SG 2.71Å; L673-C676 PolarHBondContact O-N 3.48Å
677L76.6Confident82.3Confident2 Ų224.8 Ų24.81%0.0115%0.145CC..  trans-82.8127.4175-76.3163.9000110.8V452 V455 A531 V548 L673V452-L677 HydrophobicContact CB-CD1 4.44Å; V452-L677 HydrophobicContact CB-CD2 4.16Å; V452-L677 HydrophobicContact CG1-CD1 3.95Å; V452-L677 HydrophobicContact CG1-CD2 4.3Å; V452-L677 HydrophobicContact CG2-CD1 4.24Å; V452-L677 HydrophobicContact CG2-CD2 4.32Å; V455-L677 HydrophobicContact CG2-CD1 4.47Å; A531-L677 HydrophobicContact CB-CD1 4.13Å; V548-L677 HydrophobicContact CG1-CD2 3.82Å; V548-L677 HydrophobicContact CG1-CG 4.15Å; L673-L677 HydrophobicContact CD1-CD1 4.25Å; L673-L677 HydrophobicContact CG-CD1 3.93Å; L673-L677 WeakPolarHBondContact O-CD1 3.48Å; L673-L677 WeakPolarHBondContact O-CG 3.4Å; L673-L677 PolarHBondContact O-N 3.3Å; L673-L677 VanDerWaalsContact O-N 3.08Å
678P69.8Low81.7Confident52 Ų5226.8 Ų26.834%0.33816%0.158SC..SBendtrans-79.9-54.7177.227.2-28.5000112.4P551 R748P551-P678 HydrophobicContact CG-CG 4.19Å; P678-R748 WeakPolarHBondContact O-CG 3.41Å
679K77Confident80.9Confident46 Ų4628 Ų2820%0.217%0.165CC..SBendtrans-145.1-57.1173.3-58.3-163.5-179.5-158.70110.2D747 A753K679-D747 WeakPolarHBondContact CD-O 3.33Å; K679-D747 VanDerWaalsContact CE-CG 3.44Å; K679-D747 WeakPolarHBondContact CE-O 3.47Å; K679-D747 VanDerWaalsContact CE-OD1 3.31Å; K679-D747 WeakPolarHBondContact CE-OD1 3.35Å; K679-D747 WeakPolarHBondContact CE-OD2 3.4Å; K679-D747 WeakPolarHBondContact CG-O 3.18Å; K679-D747 VanDerWaalsContact NZ-CG 3.32Å; K679-D747 PolarHBondContact NZ-O 2.69Å; K679-D747 IonicContact NZ-OD1 3.03Å; K679-D747 PolarHBondContact NZ-OD1 3.22Å; K679-D747 IonicContact NZ-OD2 2.83Å; K679-A753 PolarHBondContact NZ-O 2.85Å
680S78.7Confident80.1Confident13 Ų1327.5 Ų27.59%0.09116%0.162CC..SBendtrans-123.616516851.70000109.6V452 A710V452-S680 VanDerWaalsContact O-CA 3.32Å; V452-S680 WeakPolarHBondContact O-CA 3.49Å; V452-S680 VanDerWaalsContact O-CB 3.26Å; V452-S680 WeakPolarHBondContact O-CB 3.35Å; S680-A710 WeakPolarHBondContact O-CB 3.46Å; S680-A710 VanDerWaalsContact OG-CA 3.27Å; S680-A710 WeakPolarHBondContact OG-CA 3.31Å; S680-A710 WeakPolarHBondContact OG-CB 3.37Å
681G79Confident79.5Confident0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-168.6161.1-176.900000113.4V452V452-G681 PolarHBondContact N-O 2.92Å; V452-G681 PolarHBondContact O-N 3.49Å
682L86.6Confident78.5Confident2 Ų225.1 Ų25.11%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-108.8123.1174.918055.6000109I449 I450 L549 V684 L709I449-L682 HydrophobicContact CG2-CD1 3.63Å; I450-L682 VanDerWaalsContact O-CD1 3.29Å; I450-L682 WeakPolarHBondContact O-CD1 3.46Å; L549-L682 HydrophobicContact CB-CB 4.41Å; L549-L682 WeakPolarHBondContact CB-O 3.41Å; L549-L682 HydrophobicContact CD1-CD2 4.41Å; L549-L682 PolarHBondContact N-O 2.9Å; L549-L682 PolarHBondContact O-N 3.24Å; L682-V684 HydrophobicContact CD1-CG2 4.36Å; L682-V684 HydrophobicContact CD2-CG2 4.2Å; L682-V684 HydrophobicContact CG-CG2 3.73Å; L682-L709 HydrophobicContact CD1-CD1 3.83Å; L682-L709 HydrophobicContact CD2-CD1 4.22Å; L682-L709 HydrophobicContact CG-CD1 4.49Å
683L89.9Confident77.1Confident0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-99.7131175.9-45.5179000109.1I450 V452 L546 F547 V548 L668 L673I450-L683 HydrophobicContact CB-CB 4.02Å; I450-L683 HydrophobicContact CB-CD1 4.26Å; I450-L683 HydrophobicContact CB-CG 4.39Å; I450-L683 HydrophobicContact CD1-CB 4.26Å; I450-L683 HydrophobicContact CD1-CD1 4.04Å; I450-L683 HydrophobicContact CG1-CB 4.29Å; I450-L683 PolarHBondContact N-O 2.75Å; I450-L683 PolarHBondContact O-N 3.35Å; V452-L683 HydrophobicContact CG2-CD1 3.73Å; V452-L683 HydrophobicContact CG2-CD2 4.41Å; V452-L683 HydrophobicContact CG2-CG 3.94Å; L546-L683 HydrophobicContact CB-CB 4.44Å; L546-L683 HydrophobicContact CD1-CB 4.15Å; L546-L683 HydrophobicContact CD1-CD1 4.49Å; F547-L683 CarbonylContact O-C 3.57Å; F547-L683 VanDerWaalsContact O-CA 3.29Å; F547-L683 WeakPolarHBondContact O-CA 3.35Å; V548-L683 HydrophobicContact CB-CD2 4.05Å; V548-L683 HydrophobicContact CG1-CD2 3.86Å; V548-L683 HydrophobicContact CG2-CD2 3.82Å; L668-L683 HydrophobicContact CD1-CD1 3.74Å; L673-L683 HydrophobicContact CD1-CD1 3.9Å; L673-L683 HydrophobicContact CD1-CD2 3.79Å
684V89.1Confident75.2Confident1 Ų134.3 Ų34.31%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-138.9142.3-172.7-163.80000111T448 F547 L549 L682 R686 L689 V690T448-V684 WeakPolarHBondContact O-CA 3.35Å; F547-V684 WeakPolarHBondContact CB-O 3.19Å; F547-V684 PolarHBondContact N-O 3.45Å; F547-V684 PolarHBondContact O-N 2.79Å; L549-V684 HydrophobicContact CD1-CG2 3.71Å; L549-V684 HydrophobicContact CG-CG2 4.29Å; L682-V684 HydrophobicContact CD1-CG2 4.36Å; L682-V684 HydrophobicContact CD2-CG2 4.2Å; L682-V684 HydrophobicContact CG-CG2 3.73Å; V684-R686 WeakPolarHBondContact CG1-O 3.29Å; V684-L689 HydrophobicContact CG1-CB 4.49Å; V684-L689 HydrophobicContact CG1-CD1 3.62Å; V684-V690 HydrophobicContact CG1-CG2 4.18Å; V684-V690 HydrophobicContact CG2-CG2 4.03Å
685S88.8Confident73.3Confident18 Ų1842.8 Ų42.813%0.12623%0.225CC..SBendtrans-75.9-34174.560.90000113.8P447 T448 P567P447-S685 WeakPolarHBondContact CA-OG 3.2Å; T448-S685 PolarHBondContact N-OG 2.6Å; T448-S685 PolarHBondContact O-N 3.27Å; P567-S685 WeakPolarHBondContact CD-O 3.42Å
686R84.4Confident71.2Confident109 Ų10944.4 Ų44.441%0.41124%0.239SC..  trans-135.7136.6-179.2-66.5-175.5180149.72.9112.3D566 V684 S688 L689D566-R686 IonicContact OD1-NE 2.95Å; V684-R686 WeakPolarHBondContact CG1-O 3.29Å; R686-S688 VanDerWaalsContact C-N 3.32Å; R686-S688 PolarHBondContact O-N 3.13Å; R686-L689 HydrophobicContact CB-CD1 4.24Å; R686-L689 HydrophobicContact CB-CG 4.42Å
687L82.7Confident69.1Low0 Ų051.2 Ų51.20%027%0.274CS..G310 helixtrans-73.2-24.1-180-65.1175.3000112.8F547 L549 V558 L562 L563 V635 L689 V690 S691F547-L687 HydrophobicContact CB-CD2 4.04Å; F547-L687 HydrophobicContact CD1-CD1 4.26Å; F547-L687 HydrophobicContact CD1-CD2 4.27Å; F547-L687 HydrophobicContact CD1-CG 4.31Å; F547-L687 HydrophobicContact CD2-CD2 4.21Å; F547-L687 HydrophobicContact CD2-CG 4.01Å; F547-L687 HydrophobicContact CE1-CD1 4.08Å; F547-L687 HydrophobicContact CE1-CG 4.4Å; F547-L687 HydrophobicContact CE2-CG 4.11Å; F547-L687 HydrophobicContact CG-CD2 3.93Å; F547-L687 HydrophobicContact CG-CG 4.11Å; F547-L687 HydrophobicContact CZ-CD1 4.22Å; F547-L687 HydrophobicContact CZ-CG 4.31Å; L549-L687 HydrophobicContact CD2-CD2 3.82Å; V558-L687 HydrophobicContact CG1-CB 4.29Å; V558-L687 HydrophobicContact CG1-CD1 3.93Å; L562-L687 HydrophobicContact CB-CD1 4.2Å; L563-L687 PolarHBondContact O-N 3.12Å; V635-L687 HydrophobicContact CG1-CD1 4.41Å; V635-L687 HydrophobicContact CG1-CD2 4.2Å; L687-L689 PolarHBondContact O-N 3.25Å; L687-L689 VanDerWaalsContact O-N 3.11Å; L687-V690 PolarHBondContact O-N 3.02Å; L687-V690 VanDerWaalsContact O-N 3.09Å; L687-S691 PolarHBondContact O-N 2.95Å
688S76.5Confident67.1Low41 Ų4156.3 Ų56.329%0.28731%0.309SS..G310 helixtrans-59.2-17.5176.148.20000115.2L563 D564 R686L563-S688 WeakPolarHBondContact O-CB 3.42Å; L563-S688 PolarHBondContact O-N 2.92Å; L563-S688 PolarHBondContact O-OG 2.93Å; D564-S688 VanDerWaalsContact OD1-CB 3.28Å; D564-S688 WeakPolarHBondContact OD1-CB 3.44Å; D564-S688 PolarHBondContact OD1-OG 2.8Å; R686-S688 VanDerWaalsContact C-N 3.32Å; R686-S688 PolarHBondContact O-N 3.13Å
689L74.1Confident65.2Low27 Ų2758.9 Ų58.914%0.14133%0.329CS..G310 helixtrans-76.7-29.9176.4-58.1161.2000112.8A433 P447 I449 V684 R686 L687A433-L689 HydrophobicContact CB-CB 4.47Å; A433-L689 VanDerWaalsContact CB-O 3.28Å; A433-L689 WeakPolarHBondContact CB-O 3.19Å; A433-L689 PolarHBondContact N-O 3.45Å; P447-L689 HydrophobicContact CB-CD1 3.3Å; P447-L689 HydrophobicContact CB-CD2 3.87Å; P447-L689 HydrophobicContact CB-CG 4.19Å; P447-L689 HydrophobicContact CG-CD1 4.18Å; P447-L689 HydrophobicContact CG-CD2 3.92Å; I449-L689 HydrophobicContact CG1-CD1 4.47Å; V684-L689 HydrophobicContact CG1-CB 4.49Å; V684-L689 HydrophobicContact CG1-CD1 3.62Å; R686-L689 HydrophobicContact CB-CD1 4.24Å; R686-L689 HydrophobicContact CB-CG 4.42Å; L687-L689 PolarHBondContact O-N 3.25Å; L687-L689 VanDerWaalsContact O-N 3.11Å
690V72.6Confident62.9Low4 Ų465.2 Ų65.22%0.02436%0.359CS..THydrogen-bonded Turntrans-110.2-13.8-170.2-162.90000111.3L549 F553 V684 L687 V706L549-V690 HydrophobicContact CD1-CB 4.24Å; L549-V690 HydrophobicContact CD1-CG1 3.92Å; L549-V690 HydrophobicContact CD1-CG2 3.98Å; F553-V690 HydrophobicContact CD1-CG1 4.27Å; F553-V690 HydrophobicContact CE1-CB 4.2Å; F553-V690 HydrophobicContact CE1-CG1 3.66Å; V684-V690 HydrophobicContact CG1-CG2 4.18Å; V684-V690 HydrophobicContact CG2-CG2 4.03Å; L687-V690 PolarHBondContact O-N 3.02Å; L687-V690 VanDerWaalsContact O-N 3.09Å; V690-V706 HydrophobicContact CG1-CB 3.59Å; V690-V706 HydrophobicContact CG1-CG1 3.64Å; V690-V706 HydrophobicContact CG1-CG2 4.22Å
691S68.1Low61.1Low14 Ų1467.8 Ų67.810%0.09837%0.374CS..SBendtrans-95.7126.5172.4-173.40000111.6G555 L563 L687 F693G555-S691 PolarHBondContact O-OG 3.1Å; L563-S691 VanDerWaalsContact CD2-CB 3.48Å; L687-S691 PolarHBondContact O-N 2.95Å; S691-F693 PolarHBondContact O-N 2.98Å
692S57.6Low59.4Low38 Ų3872 Ų7227%0.26639%0.394SS..  trans-79.199.5173.9-47.50000109.9
693F50.3Low57.5Low142 Ų14274 Ų7462%0.62340%0.404SS*.  trans-106.2119.3174.4-155.5-89.3000111.4L563 S691 K695L563-F693 HydrophobicContact CD1-CB 4.25Å; L563-F693 HydrophobicContact CD1-CD2 3.54Å; L563-F693 HydrophobicContact CD1-CE2 4.11Å; L563-F693 HydrophobicContact CD1-CG 4.01Å; S691-F693 PolarHBondContact O-N 2.98Å; F693-K695 PolarHBondContact O-N 3.35Å
694N43.5Very low55.7Low111 Ų11175 Ų7559%0.59441%0.412SS*.  trans-72.2115.9175.9-79.1-6.7000110.4A696N694-A696 PolarHBondContact O-N 2.77Å
695K40.6Very low54.1Low196 Ų19676.9 Ų76.985%0.85243%0.425SS*.  trans-67121.9156.1-86.9179.8174.41740107.8F693 N697F693-K695 PolarHBondContact O-N 3.35Å; K695-N697 PolarHBondContact O-N 2.84Å
696A32.9Very low52.9Low97 Ų9776.2 Ų76.280%0.80242%0.42SS*.THydrogen-bonded Turntrans-72.225.6-155.200000118.1N694N694-A696 PolarHBondContact O-N 2.77Å
697N32.7Very low51.8Low163 Ų16374 Ų7487%0.87242%0.416SS*.THydrogen-bonded Turntrans-121.411.8-166.1-74.86.6000116.5K695K695-N697 PolarHBondContact O-N 2.84Å
698S34.1Very low50.6Low108 Ų10874.1 Ų74.176%0.75542%0.417SS*.  trans-145.6125.6171.855.50000112
699S30.3Very low49.6Very low107 Ų10772.7 Ų72.775%0.74841%0.406SS*.  trans-67147.4175.847.90000112.5
700E29.4Very low48.3Very low178 Ų17872 Ų7283%0.83240%0.404SS*.SBendtrans69.574.6159.8-62.5172.2-165.800118.3
701T39.3Very low46.9Very low67 Ų6774.1 Ų74.141%0.41143%0.427SS..  trans-169.9120.713211.50000111.1L407 I427 L703L407-T701 HydrophobicContact CD1-CG2 4.46Å; I427-T701 HydrophobicContact CD1-CG2 4.05Å; T701-L703 PolarHBondContact O-N 2.94Å
702E43.4Very low45.7Very low89 Ų8976.9 Ų76.942%0.41644%0.44SS..  trans-78.5115.7170.7-85-166.5-148.700110.2R556R556-E702 IonicContact CZ-OE2 3.44Å; R556-E702 IonicContact NH1-OE2 2.83Å; R556-E702 PolarHBondContact NH1-OE2 3.27Å; R556-E702 IonicContact NH2-OE2 2.6Å; R556-E702 PolarHBondContact NH2-OE2 3.42Å
703L47.1Very low45Very low43 Ų4376.5 Ų76.523%0.22544%0.44CS..PPolyproline II helixtrans-65.1137.7170.3-81.9159.3000111.6I427 Y428 T431 R556 T701I427-L703 HydrophobicContact CG2-CD2 3.67Å; I427-L703 HydrophobicContact CG2-CG 4.33Å; Y428-L703 HydrophobicContact CD1-CD2 4.16Å; Y428-L703 HydrophobicContact CE1-CD2 4.13Å; T431-L703 HydrophobicContact CG2-CD2 3.77Å; R556-L703 PolarHBondContact NH2-O 2.82Å; R556-L703 VanDerWaalsContact NH2-O 3.11Å; T701-L703 PolarHBondContact O-N 2.94Å
704A52.4Low44.6Very low21 Ų2174 Ų7417%0.17444%0.436CS..PPolyproline II helixtrans-60.4140.3169.800000110.5Y397 V401 Y428 V706Y397-A704 HydrophobicContact CD1-CB 4.26Å; Y397-A704 WeakPolarHBondContact CE1-O 3.35Å; V401-A704 HydrophobicContact CG2-CB 4Å; Y428-A704 HydrophobicContact CE1-CB 3.83Å; A704-V706 PolarHBondContact O-N 2.74Å
705P55.9Low44.9Very low42 Ų4273 Ų7327%0.27342%0.423SS..PPolyproline II helixtrans-64.413517428.7-33.6000109.5L707P705-L707 PolarHBondContact O-N 3.32Å; P705-L707 VanDerWaalsContact O-N 3.13Å
706V62.4Low45.3Very low4 Ų467.1 Ų67.12%0.02440%0.399CS..PPolyproline II helixtrans-58.9121.1168.8175.50000107.7L396 Y397 V690 A704 P708L396-V706 HydrophobicContact CB-CG1 4.19Å; L396-V706 HydrophobicContact CD2-CG1 3.92Å; Y397-V706 HydrophobicContact CE1-CB 4.2Å; Y397-V706 HydrophobicContact CE1-CG2 3.59Å; Y397-V706 WeakPolarHBondContact OH-CG2 3.07Å; V690-V706 HydrophobicContact CG1-CB 3.59Å; V690-V706 HydrophobicContact CG1-CG1 3.64Å; V690-V706 HydrophobicContact CG1-CG2 4.22Å; A704-V706 PolarHBondContact O-N 2.74Å; V706-P708 WeakPolarHBondContact O-CD 3.18Å
707L62.6Low46.3Very low63 Ų6363.4 Ų63.433%0.3337%0.37SS..PPolyproline II helixtrans-78.8116.6173.1-67.4173.5000106.3L396 P705 L709 L712L396-L707 PolarHBondContact O-N 2.65Å; P705-L707 PolarHBondContact O-N 3.32Å; P705-L707 VanDerWaalsContact O-N 3.13Å; L707-L709 PolarHBondContact O-N 3.36Å; L707-L709 VanDerWaalsContact O-N 3.1Å; L707-L712 HydrophobicContact CB-CD1 4.46Å; L707-L712 HydrophobicContact CD1-CD1 3.41Å; L707-L712 VanDerWaalsContact CD1-CD1 3.41Å; L707-L712 HydrophobicContact CD1-CG 4.16Å
708P56.2Low47.7Very low2 Ų258.2 Ų58.21%0.01335%0.35CS..PPolyproline II helixtrans-54.7125174.126.7-36.9000107.5L549 G550 P551 F553 V706 A710 G711L549-P708 HydrophobicContact CB-CB 4.38Å; G550-P708 VanDerWaalsContact O-CG 3.25Å; G550-P708 WeakPolarHBondContact O-CG 3.34Å; P551-P708 WeakPolarHBondContact O-CG 3.42Å; F553-P708 HydrophobicContact CB-CG 4.09Å; V706-P708 WeakPolarHBondContact O-CD 3.18Å; P708-A710 PolarHBondContact O-N 3.34Å; P708-G711 PolarHBondContact O-N 2.66Å
709L55.9Low49.5Very low10 Ų1054.5 Ų54.55%0.05232%0.324CS..THydrogen-bonded Turntrans-51.5-8-164.8-75.9160.6000116.5M395 L396 F451 L682 L707M395-L709 VanDerWaalsContact C-CD2 3.44Å; M395-L709 HydrophobicContact CB-CD2 3.91Å; M395-L709 HydrophobicContact CE-CD2 4.39Å; M395-L709 WeakPolarHBondContact O-CD2 3.21Å; L396-L709 HydrophobicContact CD2-CD1 4.26Å; L396-L709 HydrophobicContact CD2-CG 4.33Å; F451-L709 HydrophobicContact CB-CD1 4.27Å; F451-L709 HydrophobicContact CD2-CB 3.45Å; F451-L709 VanDerWaalsContact CD2-CB 3.45Å; F451-L709 HydrophobicContact CD2-CD1 4.02Å; F451-L709 HydrophobicContact CD2-CG 4.34Å; F451-L709 HydrophobicContact CE2-CB 3.45Å; F451-L709 VanDerWaalsContact CE2-CB 3.45Å; F451-L709 HydrophobicContact CG-CB 4.41Å; F451-L709 HydrophobicContact CG-CD1 4.31Å; F451-L709 HydrophobicContact CZ-CB 4.4Å; L682-L709 HydrophobicContact CD1-CD1 3.83Å; L682-L709 HydrophobicContact CD2-CD1 4.22Å; L682-L709 HydrophobicContact CG-CD1 4.49Å; L707-L709 PolarHBondContact O-N 3.36Å; L707-L709 VanDerWaalsContact O-N 3.1Å
710A47.5Very low51.5Low12 Ų1251 Ų5110%0.09930%0.297CS..THydrogen-bonded Turntrans-78.5-25.6174.800000115.2P551 S680 P708P551-A710 HydrophobicContact CB-CB 4.06Å; S680-A710 WeakPolarHBondContact O-CB 3.46Å; S680-A710 VanDerWaalsContact OG-CA 3.27Å; S680-A710 WeakPolarHBondContact OG-CA 3.31Å; S680-A710 WeakPolarHBondContact OG-CB 3.37Å; P708-A710 PolarHBondContact O-N 3.34Å
711G43.3Very low53.8Low49 Ų4942.7 Ų42.751%0.50526%0.259SS..THydrogen-bonded Turntrans-85.8-9.6-168.400000116.4P708P708-G711 PolarHBondContact O-N 2.66Å
712L42.3Very low55.9Low72 Ų7240.2 Ų40.238%0.37724%0.244SC..THydrogen-bonded Turntrans-12027.9-174.2-95174.9000113.1L707 V714L707-L712 HydrophobicContact CB-CD1 4.46Å; L707-L712 HydrophobicContact CD1-CD1 3.41Å; L707-L712 VanDerWaalsContact CD1-CD1 3.41Å; L707-L712 HydrophobicContact CD1-CG 4.16Å; L712-V714 PolarHBondContact O-N 2.78Å
713A42.2Very low58Low31 Ų3136 Ų3626%0.25623%0.225SC..  trans-62.395.7156.700000107.8W715A713-W715 HydrophobicContact CB-CD2 3.63Å; A713-W715 HydrophobicContact CB-CE3 3.92Å; A713-W715 HydrophobicContact CB-CG 4.25Å; A713-W715 HydrophobicContact CB-CH2 3.69Å; A713-W715 HydrophobicContact CB-CZ2 3.41Å; A713-W715 VanDerWaalsContact CB-CZ2 3.41Å; A713-W715 HydrophobicContact CB-CZ3 3.93Å; A713-W715 PolarHBondContact O-N 2.9Å
714V43.4Very low59.9Low89 Ų8934.3 Ų34.354%0.53922%0.217SC..  trans-6483.3158179.40000104.8L712 H716L712-V714 PolarHBondContact O-N 2.78Å; V714-H716 PolarHBondContact O-N 3.47Å; V714-H716 PolarHBondContact O-ND1 2.79Å
715W48.4Very low61.7Low89 Ų8933.3 Ų33.334%0.33721%0.209SC..  trans-61.6104.6177.1-61.8118.5000106.7A713 G717 P751A713-W715 HydrophobicContact CB-CD2 3.63Å; A713-W715 HydrophobicContact CB-CE3 3.92Å; A713-W715 HydrophobicContact CB-CG 4.25Å; A713-W715 HydrophobicContact CB-CH2 3.69Å; A713-W715 HydrophobicContact CB-CZ2 3.41Å; A713-W715 VanDerWaalsContact CB-CZ2 3.41Å; A713-W715 HydrophobicContact CB-CZ3 3.93Å; A713-W715 PolarHBondContact O-N 2.9Å; W715-G717 PolarHBondContact O-N 2.89Å; W715-P751 HydrophobicContact CH2-CB 3.36Å; W715-P751 HydrophobicContact CZ2-CB 4.29Å; W715-P751 WeakPolarHBondContact CZ2-O 3.31Å; W715-P751 HydrophobicContact CZ3-CB 3.62Å
716H50.5Low63.2Low73 Ų7335.3 Ų35.334%0.33821%0.214SC..SBendtrans-73.955.9176.1-74.474.5000109.5S107 V714S107-H716 WeakPolarHBondContact CB-O 3.39Å; S107-H716 PolarHBondContact OG-O 2.77Å; V714-H716 PolarHBondContact O-N 3.47Å; V714-H716 PolarHBondContact O-ND1 2.79Å
717G53.2Low64.5Low19 Ų1935.9 Ų35.920%0.19622%0.218CC..SBendtrans147.566.6-160.300000111W715W715-G717 PolarHBondContact O-N 2.89Å
718A61.9Low65.6Low55 Ų5535.3 Ų35.346%0.45522%0.223SC..  trans-60.4146.5166.600000109.7V720A718-V720 VanDerWaalsContact O-CG2 3.28Å; A718-V720 WeakPolarHBondContact O-CG2 3.34Å; A718-V720 PolarHBondContact O-N 3.01Å
719P70.9Confident66.6Low30 Ų3037.2 Ų37.220%0.19524%0.236CC..  trans-69.6115.3-177.828-33.9000110.9E754 R766 A767P719-E754 HydrophobicContact CG-CG 3.97Å; P719-R766 HydrophobicContact CB-CB 3.76Å; P719-R766 HydrophobicContact CG-CB 4.32Å; P719-A767 CarbonylContact C-O 3.57Å; P719-A767 WeakPolarHBondContact CA-O 3.32Å
720V73.4Confident67.3Low33 Ų3340.8 Ų40.820%0.227%0.267CS..  trans-101.6-39-174.7-169.50000112A718 A767 Y1297 V1342A718-V720 VanDerWaalsContact O-CG2 3.28Å; A718-V720 WeakPolarHBondContact O-CG2 3.34Å; A718-V720 PolarHBondContact O-N 3.01Å; V720-A767 PolarHBondContact N-O 2.98Å; V720-Y1297 WeakPolarHBondContact CB-OH 3.34Å; V720-Y1297 HydrophobicContact CG1-CE1 4.4Å; V720-Y1297 WeakPolarHBondContact CG1-OH 3.44Å; V720-Y1297 HydrophobicContact CG2-CE1 4.19Å; V720-V1342 HydrophobicContact CG1-CG1 3.76Å; V720-V1342 HydrophobicContact CG1-CG2 4.23Å
721I78Confident68.7Low3 Ų346 Ų462%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-87.8130.6-174.9-61.9155.8000108.4R766 A767 G769 L773 F795 F1346I721-R766 CarbonylContact O-C 2.94Å; I721-R766 VanDerWaalsContact O-CA 3.22Å; I721-R766 WeakPolarHBondContact O-CA 3.42Å; I721-A767 PolarHBondContact N-O 2.77Å; I721-A767 PolarHBondContact O-N 3.36Å; I721-G769 VanDerWaalsContact CD1-C 3.46Å; I721-L773 HydrophobicContact CG2-CD2 3.74Å; I721-F795 HydrophobicContact CG2-CB 4.37Å; I721-F795 HydrophobicContact CG2-CD1 3.78Å; I721-F795 HydrophobicContact CG2-CG 4.42Å; I721-F1346 HydrophobicContact CD1-CE1 3.7Å; I721-F1346 HydrophobicContact CD1-CZ 4.36Å; I721-F1346 HydrophobicContact CG1-CE1 3.84Å; I721-F1346 HydrophobicContact CG1-CZ 4Å; I721-F1346 HydrophobicContact CG2-CE1 4Å; I721-F1346 HydrophobicContact CG2-CZ 4.12Å
722S82.8Confident70.5Confident16 Ų1647.1 Ų47.111%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-117.3138.1176.2-62.60000111.2I765 V796S722-I765 WeakPolarHBondContact CA-O 3.48Å; S722-V796 PolarHBondContact N-O 3.28Å; S722-V796 PolarHBondContact O-N 3.18Å
723V87Confident72.4Confident1 Ų148.1 Ų48.11%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-137.3130.1173.5160.40000109.8V725 I764 I765 L773 I792 F795V723-V725 HydrophobicContact CG1-CG2 4.14Å; V723-I764 WeakPolarHBondContact O-CA 3.35Å; V723-I765 PolarHBondContact N-O 3.41Å; V723-I765 PolarHBondContact O-N 3.2Å; V723-L773 HydrophobicContact CB-CD2 4.05Å; V723-L773 HydrophobicContact CG2-CD2 3.63Å; V723-I792 HydrophobicContact CG1-CG2 3.5Å; V723-I792 VanDerWaalsContact CG1-CG2 3.5Å; V723-F795 HydrophobicContact CG2-CB 4.47Å; V723-F795 HydrophobicContact CG2-CD1 3.44Å; V723-F795 VanDerWaalsContact CG2-CD1 3.44Å; V723-F795 HydrophobicContact CG2-CE1 4.02Å; V723-F795 HydrophobicContact CG2-CG 4.3Å
724A87.3Confident74.4Confident7 Ų752.4 Ų52.46%0.05832%0.317CS..EExtended strand (participates in β ladder)trans-79.2136.3167.900000110.5E762 Y763 I764 S793A724-E762 HydrophobicContact CB-CB 4.29Å; A724-Y763 CarbonylContact C-O 3.56Å; A724-Y763 VanDerWaalsContact CA-O 3.28Å; A724-Y763 WeakPolarHBondContact CA-O 3.28Å; A724-I764 HydrophobicContact CB-CG1 4.24Å; A724-S793 WeakPolarHBondContact CA-OG 3.3Å; A724-S793 WeakPolarHBondContact CB-OG 3.3Å; A724-S793 PolarHBondContact N-OG 3.32Å; A724-S793 WeakPolarHBondContact O-CB 3.5Å; A724-S793 PolarHBondContact O-N 3.46Å; A724-S793 PolarHBondContact O-OG 3.11Å
725V90.1Very high76.5Confident0 Ų049.6 Ų49.60%030%0.299CS..EExtended strand (participates in β ladder)trans-124130.2179.5178.60000108.6V723 L739 Y763 I765 L790V723-V725 HydrophobicContact CG1-CG2 4.14Å; V725-L739 HydrophobicContact CG1-CD1 4.37Å; V725-Y763 PolarHBondContact N-O 2.84Å; V725-I765 HydrophobicContact CG2-CD1 3.75Å; V725-I765 HydrophobicContact CG2-CG1 4.1Å; V725-L790 HydrophobicContact CG1-CB 4.26Å; V725-L790 HydrophobicContact CG1-CD1 4.04Å; V725-L790 HydrophobicContact CG1-CD2 4.17Å; V725-L790 HydrophobicContact CG1-CG 4.39Å
726E87.6Confident78.3Confident83 Ų8347.5 Ų47.539%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-129.7151.2178.8-63.7-179153.500109.5L790 Q791E726-L790 WeakPolarHBondContact O-CA 3.36Å; E726-Q791 PolarHBondContact N-O 3Å; E726-Q791 PolarHBondContact O-N 2.74Å
727P89.7Confident80.1Confident16 Ų1649.2 Ų49.210%0.10430%0.301CS..EExtended strand (participates in β ladder)trans-72.6134.7169.330.1-28.4000109S729 D735 V736 L739 V788P727-S729 PolarHBondContact O-N 3.41Å; P727-S729 VanDerWaalsContact O-N 3.16Å; P727-D735 HydrophobicContact CB-CB 4.45Å; P727-V736 HydrophobicContact CG-CG2 3.97Å; P727-L739 HydrophobicContact CB-CD2 4.35Å; P727-L739 HydrophobicContact CG-CD2 4.28Å; P727-V788 HydrophobicContact CB-CG1 4.25Å
728A85.1Confident81.6Confident52 Ų5251.2 Ų51.243%0.4330%0.302SS..SBendtrans-60.2-28.6-178.300000112.7E789A728-E789 HydrophobicContact CB-CB 3.88Å; A728-E789 WeakPolarHBondContact CB-O 3.43Å; A728-E789 PolarHBondContact N-O 2.89Å
729S77.2Confident83Confident41 Ų4148.6 Ų48.629%0.28728%0.281SS..  trans-108.784.9173.3-174.30000111.4P727 T731 N732P727-S729 PolarHBondContact O-N 3.41Å; P727-S729 VanDerWaalsContact O-N 3.16Å; S729-T731 PolarHBondContact O-N 3.37Å; S729-T731 VanDerWaalsContact O-N 3.08Å; S729-T731 PolarHBondContact OG-OG1 3.01Å; S729-N732 PolarHBondContact O-N 3.27Å
730A71.9Confident83.8Confident86 Ų8648.4 Ų48.471%0.71128%0.277SS*.THydrogen-bonded Turntrans-66.3-2.4171.200000113.9
731T76.7Confident84.3Confident120 Ų12051.6 Ų51.674%0.73629%0.286SS*.THydrogen-bonded Turntrans-79.9-19.817762.50000113.2S729S729-T731 PolarHBondContact O-N 3.37Å; S729-T731 VanDerWaalsContact O-N 3.08Å; S729-T731 PolarHBondContact OG-OG1 3.01Å
732N80.3Confident84.8Confident73 Ų7351.5 Ų51.539%0.3929%0.285SS..  trans-100.8110.3-178-67.6-16.2000110.2S729 E734 D735S729-N732 PolarHBondContact O-N 3.27Å; N732-E734 PolarHBondContact O-N 3.14Å; N732-D735 HydrophobicContact CB-CB 4.1Å; N732-D735 WeakPolarHBondContact CB-OD2 3.24Å; N732-D735 PolarHBondContact ND2-OD2 3.46Å; N732-D735 PolarHBondContact O-N 2.98Å
733P83.6Confident85.2Confident93 Ų9350.8 Ų50.860%0.60428%0.28SS*.Hα-helixtrans-66.2-26.3177.827.2-34.4000112.6V736 Y737P733-V736 PolarHBondContact O-N 3.4Å; P733-Y737 PolarHBondContact O-N 3.15Å
734E84.5Confident85.1Confident121 Ų12152.4 Ų52.457%0.56529%0.286SS*.Hα-helixtrans-61.4-40.7174.3-67-60.8142.400112.3N732 V736 Y737 R738N732-E734 PolarHBondContact O-N 3.14Å; E734-V736 VanDerWaalsContact C-N 3.35Å; E734-Y737 PolarHBondContact O-N 3.16Å; E734-R738 WeakPolarHBondContact O-CB 3.37Å; E734-R738 VanDerWaalsContact O-CG 3.23Å; E734-R738 WeakPolarHBondContact O-CG 3.21Å; E734-R738 PolarHBondContact O-N 3.18Å
735D87.1Confident85Confident30 Ų3053.6 Ų53.616%0.1629%0.291CS..Hα-helixtrans-69.5-36.2-178.9-64.5-25.5000110.9P727 N732 L739 V788P727-D735 HydrophobicContact CB-CB 4.45Å; N732-D735 HydrophobicContact CB-CB 4.1Å; N732-D735 WeakPolarHBondContact CB-OD2 3.24Å; N732-D735 PolarHBondContact ND2-OD2 3.46Å; N732-D735 PolarHBondContact O-N 2.98Å; D735-L739 WeakPolarHBondContact O-CB 3.49Å; D735-L739 PolarHBondContact O-N 3.26Å; D735-V788 HydrophobicContact CB-CG1 4.38Å
736V86.3Confident84.9Confident46 Ų4653.6 Ų53.628%0.27929%0.291SS..Hα-helixtrans-62.2-47.6170.8-1760000110.6P727 P733 E734 L739 E740P727-V736 HydrophobicContact CG-CG2 3.97Å; P733-V736 PolarHBondContact O-N 3.4Å; E734-V736 VanDerWaalsContact C-N 3.35Å; V736-L739 PolarHBondContact O-N 3.45Å; V736-E740 VanDerWaalsContact O-CB 3.3Å; V736-E740 WeakPolarHBondContact O-CB 3.48Å; V736-E740 PolarHBondContact O-N 3.07Å
737Y86.8Confident84.9Confident109 Ų10951.7 Ų51.743%0.42728%0.284SS..Hα-helixtrans-64.8-40.1179.2177.7-105.4000112.7P733 E734 E740 R741P733-Y737 PolarHBondContact O-N 3.15Å; E734-Y737 PolarHBondContact O-N 3.16Å; Y737-E740 PolarHBondContact O-N 3.29Å; Y737-R741 WeakPolarHBondContact O-CB 3.2Å; Y737-R741 PolarHBondContact O-N 3.13Å
738R86.4Confident84.5Confident61 Ų6154 Ų5423%0.2329%0.291CS..Hα-helixtrans-61.5-46.4173.9-72.6172.2178.6-146.73111.3F524 E734 R741 G742 E787 V788F524-R738 HydrophobicContact CE2-CG 4.18Å; F524-R738 HydrophobicContact CZ-CB 4.38Å; F524-R738 HydrophobicContact CZ-CG 3.92Å; E734-R738 WeakPolarHBondContact O-CB 3.37Å; E734-R738 VanDerWaalsContact O-CG 3.23Å; E734-R738 WeakPolarHBondContact O-CG 3.21Å; E734-R738 PolarHBondContact O-N 3.18Å; R738-R741 PolarHBondContact O-N 2.95Å; R738-G742 PolarHBondContact O-N 3.24Å; R738-E787 IonicContact CZ-OE2 3.14Å; R738-E787 IonicContact NH1-OE2 3.28Å; R738-E787 PolarHBondContact NH1-OE2 2.88Å; R738-E787 IonicContact NH2-OE2 3.3Å; R738-V788 HydrophobicContact CB-CG2 3.76Å
739L90.2Very high84.4Confident0 Ų051.7 Ų51.70%027%0.271CS..Hα-helixtrans-61.1-49.3175.4175.359000111.6V725 P727 D735 V736 R741 G742 L743 Y763 L780 L790V725-L739 HydrophobicContact CG1-CD1 4.37Å; P727-L739 HydrophobicContact CB-CD2 4.35Å; P727-L739 HydrophobicContact CG-CD2 4.28Å; D735-L739 WeakPolarHBondContact O-CB 3.49Å; D735-L739 PolarHBondContact O-N 3.26Å; V736-L739 PolarHBondContact O-N 3.45Å; L739-R741 VanDerWaalsContact C-N 3.31Å; L739-R741 PolarHBondContact O-N 3.05Å; L739-G742 PolarHBondContact O-N 2.92Å; L739-L743 HydrophobicContact CD1-CD1 3.94Å; L739-L743 HydrophobicContact CD1-CD2 4.45Å; L739-L743 HydrophobicContact CD1-CG 3.91Å; L739-L743 HydrophobicContact CG-CD1 3.93Å; L739-L743 HydrophobicContact CG-CG 4.35Å; L739-L743 WeakPolarHBondContact O-CB 3.47Å; L739-L743 WeakPolarHBondContact O-CG 3.47Å; L739-L743 PolarHBondContact O-N 2.93Å; L739-Y763 HydrophobicContact CD2-CD2 4.31Å; L739-L780 HydrophobicContact CD1-CD1 4.44Å; L739-L780 HydrophobicContact CD1-CD2 3.97Å; L739-L790 HydrophobicContact CD1-CD2 3.76Å; L739-L790 HydrophobicContact CD2-CD2 4.24Å
740E87.9Confident84.8Confident26 Ų2650 Ų5012%0.12126%0.259CS..Hα-helixtrans-60.8-39.3-180-161.9-162.410500111.8V736 Y737 R744 Y763 H1190V736-E740 VanDerWaalsContact O-CB 3.3Å; V736-E740 WeakPolarHBondContact O-CB 3.48Å; V736-E740 PolarHBondContact O-N 3.07Å; Y737-E740 PolarHBondContact O-N 3.29Å; E740-R744 VanDerWaalsContact CD-NH2 3.33Å; E740-R744 WeakPolarHBondContact O-CG 3.41Å; E740-R744 PolarHBondContact O-N 2.89Å; E740-R744 PolarHBondContact O-NH1 3.34Å; E740-R744 IonicContact OE1-CZ 2.8Å; E740-R744 IonicContact OE1-NH1 3.05Å; E740-R744 PolarHBondContact OE1-NH1 2.84Å; E740-R744 IonicContact OE1-NH2 3.6Å; E740-R744 PolarHBondContact OE1-NH2 3.19Å; E740-Y763 HydrophobicContact CB-CE1 4.38Å; E740-Y763 HydrophobicContact CG-CE1 3.94Å; E740-Y763 PolarHBondContact OE2-OH 2.73Å; E740-H1190 IonicContact OE1-CE1 2.73Å; E740-H1190 PolarHBondContact OE1-CE1 3.02Å; E740-H1190 IonicContact OE1-CG 3.24Å; E740-H1190 IonicContact OE1-ND1 2.85Å; E740-H1190 PolarHBondContact OE1-ND1 3.39Å; E740-H1190 IonicContact OE1-NE2 2.79Å; E740-H1190 PolarHBondContact OE1-NE2 3.06Å; E740-H1190 IonicContact OE2-CE1 3.13Å
741R84.9Confident85.2Confident100 Ų10046.4 Ų46.438%0.37723%0.228SC..Hα-helixtrans-66.2-44.6171.3-178.6178.5175.2-173.9-2.9111.6Y737 R738 L739 R744 L745Y737-R741 WeakPolarHBondContact O-CB 3.2Å; Y737-R741 PolarHBondContact O-N 3.13Å; R738-R741 PolarHBondContact O-N 2.95Å; L739-R741 VanDerWaalsContact C-N 3.31Å; L739-R741 PolarHBondContact O-N 3.05Å; R741-R744 PolarHBondContact O-N 2.84Å; R741-L745 HydrophobicContact CG-CD1 4.26Å; R741-L745 WeakPolarHBondContact O-CG 3.47Å; R741-L745 PolarHBondContact O-N 3.08Å
742G87.2Confident85.4Confident0 Ų040.9 Ų40.90%020%0.195CC..Hα-helixtrans-63.4-43.3-178.900000112.9R738 L739 R744 L745 L746R738-G742 PolarHBondContact O-N 3.24Å; L739-G742 PolarHBondContact O-N 2.92Å; G742-R744 VanDerWaalsContact C-N 3.3Å; G742-R744 PolarHBondContact O-N 3Å; G742-L745 PolarHBondContact O-N 3.18Å; G742-L746 PolarHBondContact O-N 3.25Å
743L90.7Very high85.7Confident1 Ų137.4 Ų37.41%0.00518%0.176CC..Hα-helixtrans-58.8-38.2175.1-74.3171.2000112.6L739 L745 L746 D747 V755 Y763 I765 L780L739-L743 HydrophobicContact CD1-CD1 3.94Å; L739-L743 HydrophobicContact CD1-CD2 4.45Å; L739-L743 HydrophobicContact CD1-CG 3.91Å; L739-L743 HydrophobicContact CG-CD1 3.93Å; L739-L743 HydrophobicContact CG-CG 4.35Å; L739-L743 WeakPolarHBondContact O-CB 3.47Å; L739-L743 WeakPolarHBondContact O-CG 3.47Å; L739-L743 PolarHBondContact O-N 2.93Å; L743-L745 VanDerWaalsContact C-N 3.32Å; L743-L745 PolarHBondContact O-N 3Å; L743-L746 WeakPolarHBondContact O-CB 3.46Å; L743-L746 PolarHBondContact O-N 2.93Å; L743-D747 PolarHBondContact O-N 3.3Å; L743-V755 HydrophobicContact CB-CG1 4.12Å; L743-V755 HydrophobicContact CB-CG2 4.16Å; L743-V755 HydrophobicContact CD1-CG1 4.26Å; L743-V755 HydrophobicContact CD2-CG1 4.4Å; L743-V755 HydrophobicContact CD2-CG2 4.08Å; L743-Y763 HydrophobicContact CD1-CD1 3.53Å; L743-Y763 HydrophobicContact CD1-CD2 4.47Å; L743-Y763 HydrophobicContact CD1-CE1 4.25Å; L743-Y763 HydrophobicContact CD1-CG 3.66Å; L743-I765 HydrophobicContact CD2-CD1 3.7Å; L743-I765 HydrophobicContact CD2-CG1 3.79Å; L743-L780 HydrophobicContact CD2-CD1 4.44Å; L743-L780 HydrophobicContact CD2-CD2 3.84Å; L743-L780 HydrophobicContact CG-CD2 4.49Å
744R86.3Confident85.8Confident36 Ų3636.5 Ų36.514%0.13616%0.163CC..Hα-helixtrans-72.8-20.4174.9-73.6-170-165.3101.11.7115.1E740 R741 G742 R748 E1189 H1190E740-R744 VanDerWaalsContact CD-NH2 3.33Å; E740-R744 WeakPolarHBondContact O-CG 3.41Å; E740-R744 PolarHBondContact O-N 2.89Å; E740-R744 PolarHBondContact O-NH1 3.34Å; E740-R744 IonicContact OE1-CZ 2.8Å; E740-R744 IonicContact OE1-NH1 3.05Å; E740-R744 PolarHBondContact OE1-NH1 2.84Å; E740-R744 IonicContact OE1-NH2 3.6Å; E740-R744 PolarHBondContact OE1-NH2 3.19Å; R741-R744 PolarHBondContact O-N 2.84Å; G742-R744 VanDerWaalsContact C-N 3.3Å; G742-R744 PolarHBondContact O-N 3Å; R744-R748 WeakPolarHBondContact O-CG 3.29Å; R744-R748 PolarHBondContact O-NH1 3.48Å; R744-E1189 IonicContact CZ-OE2 2.63Å; R744-E1189 IonicContact NE-OE2 3.34Å; R744-E1189 PolarHBondContact NE-OE2 3.1Å; R744-E1189 IonicContact NH2-OE2 2.72Å; R744-E1189 PolarHBondContact NH2-OE2 2.97Å; R744-H1190 PolarHBondContact NH1-ND1 3.08Å; R744-H1190 PolarHBondContact NH1-NE2 3.04Å; R744-H1190 PolarHBondContact NH2-CD2 3.43Å; R744-H1190 PolarHBondContact NH2-CE1 3.46Å; R744-H1190 VanDerWaalsContact NH2-CE1 3.33Å; R744-H1190 VanDerWaalsContact NH2-CG 3.3Å; R744-H1190 PolarHBondContact NH2-ND1 2.99Å
745L85Confident85.9Confident31 Ų3131.8 Ų31.816%0.16214%0.143CC..Hα-helixtrans-83-37.7172.4-63.9168.8000109.6F529 R741 G742 L743 R748 A749 F784F529-L745 HydrophobicContact CE1-CB 4.32Å; F529-L745 HydrophobicContact CE1-CD2 4.02Å; F529-L745 HydrophobicContact CE2-CD1 4.46Å; F529-L745 HydrophobicContact CE2-CD2 4.19Å; F529-L745 HydrophobicContact CZ-CB 4.18Å; F529-L745 HydrophobicContact CZ-CD1 3.93Å; F529-L745 HydrophobicContact CZ-CD2 3.7Å; F529-L745 HydrophobicContact CZ-CG 4.13Å; R741-L745 HydrophobicContact CG-CD1 4.26Å; R741-L745 WeakPolarHBondContact O-CG 3.47Å; R741-L745 PolarHBondContact O-N 3.08Å; G742-L745 PolarHBondContact O-N 3.18Å; L743-L745 VanDerWaalsContact C-N 3.32Å; L743-L745 PolarHBondContact O-N 3Å; L745-R748 PolarHBondContact O-N 3.23Å; L745-A749 WeakPolarHBondContact O-CB 3.42Å; L745-A749 PolarHBondContact O-N 3.28Å; L745-F784 HydrophobicContact CB-CB 4.43Å; L745-F784 HydrophobicContact CB-CD1 3.6Å; L745-F784 HydrophobicContact CB-CE1 3.99Å; L745-F784 HydrophobicContact CB-CG 4.06Å; L745-F784 HydrophobicContact CD1-CD1 4.42Å
746L88.2Confident85.8Confident1 Ų132.3 Ų32.31%0.00515%0.147CC..Hα-helixtrans-59.1-49.2170.4179.867.2000112.2G742 L743 R748 A749 D750 I765 C776 F784G742-L746 PolarHBondContact O-N 3.25Å; L743-L746 WeakPolarHBondContact O-CB 3.46Å; L743-L746 PolarHBondContact O-N 2.93Å; L746-R748 VanDerWaalsContact C-N 3.26Å; L746-R748 PolarHBondContact O-N 3.28Å; L746-A749 PolarHBondContact O-N 3.05Å; L746-D750 PolarHBondContact O-N 3.41Å; L746-I765 HydrophobicContact CD2-CD1 4.09Å; L746-C776 HydrophobicContact CD1-CB 4.1Å; L746-C776 HydrophobicContact CD2-CB 4.15Å; L746-F784 HydrophobicContact CB-CD2 3.96Å; L746-F784 HydrophobicContact CB-CE2 4.01Å; L746-F784 HydrophobicContact CD1-CD2 4.32Å; L746-F784 HydrophobicContact CD1-CE2 3.89Å
747D86Confident85.7Confident42 Ų4233.3 Ų33.323%0.22515%0.151CC..Hα-helixtrans-61.8-30.9179.1-173.375.4000113.2K679 L743 V755K679-D747 WeakPolarHBondContact CD-O 3.33Å; K679-D747 VanDerWaalsContact CE-CG 3.44Å; K679-D747 WeakPolarHBondContact CE-O 3.47Å; K679-D747 VanDerWaalsContact CE-OD1 3.31Å; K679-D747 WeakPolarHBondContact CE-OD1 3.35Å; K679-D747 WeakPolarHBondContact CE-OD2 3.4Å; K679-D747 WeakPolarHBondContact CG-O 3.18Å; K679-D747 VanDerWaalsContact NZ-CG 3.32Å; K679-D747 PolarHBondContact NZ-O 2.69Å; K679-D747 IonicContact NZ-OD1 3.03Å; K679-D747 PolarHBondContact NZ-OD1 3.22Å; K679-D747 IonicContact NZ-OD2 2.83Å; L743-D747 PolarHBondContact O-N 3.3Å; D747-V755 HydrophobicContact CB-CG2 4.23Å; D747-V755 PolarHBondContact OD1-N 2.94Å
748R82.1Confident85.3Confident66 Ų6629.9 Ų29.925%0.24914%0.141CC..Hα-helixtrans-76.9-34172.2-78177.1174.978.5-0.8113.3I674 P678 R744 L745 L746I674-R748 PolarHBondContact O-NE 3.3Å; P678-R748 WeakPolarHBondContact O-CG 3.41Å; R744-R748 WeakPolarHBondContact O-CG 3.29Å; R744-R748 PolarHBondContact O-NH1 3.48Å; L745-R748 PolarHBondContact O-N 3.23Å; L746-R748 VanDerWaalsContact C-N 3.26Å; L746-R748 PolarHBondContact O-N 3.28Å
749A83Confident84.4Confident2 Ų232.1 Ų32.12%0.01717%0.173CC..Hα-helixtrans-89.8-36.9-168.100000113.2K454 V455 W457 L745 L746 F784K454-A749 WeakPolarHBondContact CE-O 3.48Å; V455-A749 WeakPolarHBondContact O-CA 3.23Å; W457-A749 HydrophobicContact CE3-CB 4.05Å; W457-A749 HydrophobicContact CZ3-CB 3.88Å; L745-A749 WeakPolarHBondContact O-CB 3.42Å; L745-A749 PolarHBondContact O-N 3.28Å; L746-A749 PolarHBondContact O-N 3.05Å; A749-F784 HydrophobicContact CB-CE1 4.37Å; A749-F784 HydrophobicContact CB-CE2 4.44Å; A749-F784 HydrophobicContact CB-CZ 3.65Å
750D85.4Confident83.4Confident6 Ų636.7 Ų36.73%0.03220%0.197CC..SBendtrans-97.1124.3171.1-161.6-66.1000110.9L746 C752 A753 H772 K775L746-D750 PolarHBondContact O-N 3.41Å; D750-C752 PolarHBondContact O-N 3.03Å; D750-C752 PolarHBondContact OD1-N 3.3Å; D750-A753 HydrophobicContact CB-CB 3.92Å; D750-A753 PolarHBondContact OD1-N 3.12Å; D750-H772 IonicContact OD1-CE1 3.49Å; D750-H772 IonicContact OD1-NE2 3.18Å; D750-H772 PolarHBondContact OD1-NE2 3.5Å; D750-H772 IonicContact OD2-CD2 3.55Å; D750-H772 IonicContact OD2-NE2 3.67Å; D750-H772 PolarHBondContact OD2-NE2 3.27Å; D750-K775 IonicContact OD2-NZ 2.71Å; D750-K775 PolarHBondContact OD2-NZ 3.42Å
751P79.7Confident82.9Confident10 Ų1037.5 Ų37.57%0.06521%0.213CC..SBendtrans-59.6-25.8179.919.7-31000115E109 W715E109-P751 HydrophobicContact CG-CG 4.28Å; W715-P751 HydrophobicContact CH2-CB 3.36Å; W715-P751 HydrophobicContact CZ2-CB 4.29Å; W715-P751 WeakPolarHBondContact CZ2-O 3.31Å; W715-P751 HydrophobicContact CZ3-CB 3.62Å
752C82.2Confident82.8Confident5 Ų534.5 Ų34.53%0.03420%0.203CC..SBendtrans-110.5-20.5-170.9173.40000114.3S108 D750 E754 H772S108-C752 WeakPolarHBondContact OG-CB 3.3Å; D750-C752 PolarHBondContact O-N 3.03Å; D750-C752 PolarHBondContact OD1-N 3.3Å; C752-E754 PolarHBondContact O-N 3.26Å; C752-H772 VanDerWaalsContact SG-CE1 3.56Å
753A86.1Confident82.8Confident0 Ų035.5 Ų35.50%021%0.207CC..  trans-63132.117300000110.3K679 D750 R766K679-A753 PolarHBondContact NZ-O 2.85Å; D750-A753 HydrophobicContact CB-CB 3.92Å; D750-A753 PolarHBondContact OD1-N 3.12Å; A753-R766 WeakPolarHBondContact CA-O 3.47Å
754E85Confident82.7Confident73 Ų7337.1 Ų37.134%0.34122%0.215SC..EExtended strand (participates in β ladder)trans-116.3133.7168.8-71.9179.7178.100109.4P719 C752 I765 R766P719-E754 HydrophobicContact CG-CG 3.97Å; C752-E754 PolarHBondContact O-N 3.26Å; E754-I765 CarbonylContact O-C 3.59Å; E754-I765 WeakPolarHBondContact O-CA 3.41Å; E754-R766 HydrophobicContact CB-CB 4.25Å; E754-R766 HydrophobicContact CB-CG 4.48Å; E754-R766 PolarHBondContact N-O 3.02Å; E754-R766 PolarHBondContact O-N 3.4Å; E754-R766 IonicContact OE2-CZ 2.72Å; E754-R766 IonicContact OE2-NH1 2.7Å; E754-R766 PolarHBondContact OE2-NH1 2.96Å
755V87.8Confident82.9Confident23 Ų2335.4 Ų35.414%0.13921%0.208CC..EExtended strand (participates in β ladder)trans-104.9131.6168.7-1780000109.6L743 D747 I764L743-V755 HydrophobicContact CB-CG1 4.12Å; L743-V755 HydrophobicContact CB-CG2 4.16Å; L743-V755 HydrophobicContact CD1-CG1 4.26Å; L743-V755 HydrophobicContact CD2-CG1 4.4Å; L743-V755 HydrophobicContact CD2-CG2 4.08Å; D747-V755 HydrophobicContact CB-CG2 4.23Å; D747-V755 PolarHBondContact OD1-N 2.94Å; V755-I764 WeakPolarHBondContact CA-O 3.33Å
756T84.6Confident83Confident40 Ų4037.4 Ų37.425%0.24521%0.214CC..EExtended strand (participates in β ladder)trans-137.8135.1173.156.50000111.3I764 R766T756-I764 PolarHBondContact N-O 3.46Å; T756-I764 PolarHBondContact O-N 3.38Å; T756-R766 PolarHBondContact OG1-NH2 3.35Å
757I85.1Confident82.8Confident68 Ų6837.4 Ų37.435%0.34921%0.214SC..EExtended strand (participates in β ladder)trans-88.8133.8171.8-52.3-171.8000109.4Y763 E1189I757-Y763 HydrophobicContact CD1-CD1 3.82Å; I757-Y763 HydrophobicContact CD1-CE1 3.39Å; I757-Y763 HydrophobicContact CG1-CD1 3.71Å; I757-Y763 HydrophobicContact CG1-CE1 3.85Å; I757-E1189 HydrophobicContact CD1-CG 3.3Å; I757-E1189 WeakPolarHBondContact CD1-OE1 3.09Å; I757-E1189 HydrophobicContact CG1-CG 3.93Å; I757-E1189 VanDerWaalsContact CG1-OE1 3.32Å; I757-E1189 WeakPolarHBondContact CG1-OE1 3.36Å
758T76.7Confident82.6Confident37 Ų3736.1 Ų36.123%0.22721%0.209CC..  trans-78.1164.117363.70000112N760 G761 E762 I764T758-N760 PolarHBondContact O-N 3.45Å; T758-N760 PolarHBondContact OG1-N 3.33Å; T758-G761 PolarHBondContact O-N 2.86Å; T758-G761 PolarHBondContact OG1-N 2.92Å; T758-E762 HydrophobicContact CG2-CB 4.24Å; T758-E762 PolarHBondContact N-O 2.86Å; T758-E762 WeakPolarHBondContact OG1-CB 3.46Å; T758-E762 PolarHBondContact OG1-N 3.47Å; T758-E762 VanDerWaalsContact OG1-N 3.07Å; T758-E762 PolarHBondContact OG1-O 2.13Å; T758-I764 HydrophobicContact CG2-CD1 3.32Å; T758-I764 HydrophobicContact CG2-CG1 3.85Å
759A68.2Low82.3Confident108 Ų10833.3 Ų33.389%0.89320%0.2SC*.THydrogen-bonded Turntrans-60.5-13.9169.900000114.1
760N70.3Confident82.2Confident95 Ų9535.8 Ų35.851%0.50821%0.212SC..THydrogen-bonded Turntrans-84.7-15.2174.8-60.8-3.4000112.8T758 E762 R1449T758-N760 PolarHBondContact O-N 3.45Å; T758-N760 PolarHBondContact OG1-N 3.33Å; N760-E762 HydrophobicContact CB-CG 4.17Å; N760-E762 PolarHBondContact ND2-OE1 2.71Å; N760-R1449 PolarHBondContact ND2-O 2.73Å
761G76.6Confident82Confident44 Ų4437.7 Ų37.745%0.45422%0.221SC..SBendtrans92.4-0.9-170.600000114.9T758T758-G761 PolarHBondContact O-N 2.86Å; T758-G761 PolarHBondContact OG1-N 2.92Å
762E82.4Confident82.4Confident36 Ų3637.2 Ų37.217%0.16822%0.218CC..  trans-69.1130.4174.6-56.9166-150.900110.4A724 T758 N760A724-E762 HydrophobicContact CB-CB 4.29Å; T758-E762 HydrophobicContact CG2-CB 4.24Å; T758-E762 PolarHBondContact N-O 2.86Å; T758-E762 WeakPolarHBondContact OG1-CB 3.46Å; T758-E762 PolarHBondContact OG1-N 3.47Å; T758-E762 VanDerWaalsContact OG1-N 3.07Å; T758-E762 PolarHBondContact OG1-O 2.13Å; N760-E762 HydrophobicContact CB-CG 4.17Å; N760-E762 PolarHBondContact ND2-OE1 2.71Å
763Y88.5Confident82.7Confident22 Ų2237 Ų379%0.08622%0.217CC..EExtended strand (participates in β ladder)trans-83.5112.8172.7-60.5-87.6000110.1A724 V725 L739 E740 L743 I757A724-Y763 CarbonylContact C-O 3.56Å; A724-Y763 VanDerWaalsContact CA-O 3.28Å; A724-Y763 WeakPolarHBondContact CA-O 3.28Å; V725-Y763 PolarHBondContact N-O 2.84Å; L739-Y763 HydrophobicContact CD2-CD2 4.31Å; E740-Y763 HydrophobicContact CB-CE1 4.38Å; E740-Y763 HydrophobicContact CG-CE1 3.94Å; E740-Y763 PolarHBondContact OE2-OH 2.73Å; L743-Y763 HydrophobicContact CD1-CD1 3.53Å; L743-Y763 HydrophobicContact CD1-CD2 4.47Å; L743-Y763 HydrophobicContact CD1-CE1 4.25Å; L743-Y763 HydrophobicContact CD1-CG 3.66Å; I757-Y763 HydrophobicContact CD1-CD1 3.82Å; I757-Y763 HydrophobicContact CD1-CE1 3.39Å; I757-Y763 HydrophobicContact CG1-CD1 3.71Å; I757-Y763 HydrophobicContact CG1-CE1 3.85Å
764I88Confident82.7Confident34 Ų3440.6 Ų40.617%0.17423%0.234CC..EExtended strand (participates in β ladder)trans-98.3120.3175.6-64.5179.7000110V723 A724 V755 T756 T758 R766V723-I764 WeakPolarHBondContact O-CA 3.35Å; A724-I764 HydrophobicContact CB-CG1 4.24Å; V755-I764 WeakPolarHBondContact CA-O 3.33Å; T756-I764 PolarHBondContact N-O 3.46Å; T756-I764 PolarHBondContact O-N 3.38Å; T758-I764 HydrophobicContact CG2-CD1 3.32Å; T758-I764 HydrophobicContact CG2-CG1 3.85Å; I764-R766 HydrophobicContact CG2-CG 4.06Å
765I90.9Very high82.9Confident0 Ų037.2 Ų37.20%022%0.218CC..EExtended strand (participates in β ladder)trans-88131.7163.3-54-179.8000108S722 V723 V725 L743 L746 E754 L773 L780S722-I765 WeakPolarHBondContact CA-O 3.48Å; V723-I765 PolarHBondContact N-O 3.41Å; V723-I765 PolarHBondContact O-N 3.2Å; V725-I765 HydrophobicContact CG2-CD1 3.75Å; V725-I765 HydrophobicContact CG2-CG1 4.1Å; L743-I765 HydrophobicContact CD2-CD1 3.7Å; L743-I765 HydrophobicContact CD2-CG1 3.79Å; L746-I765 HydrophobicContact CD2-CD1 4.09Å; E754-I765 CarbonylContact O-C 3.59Å; E754-I765 WeakPolarHBondContact O-CA 3.41Å; I765-L773 HydrophobicContact CB-CD1 4.35Å; I765-L773 HydrophobicContact CG2-CD1 3.9Å; I765-L780 HydrophobicContact CD1-CD2 4.15Å
766R86.1Confident83Confident74 Ų7436.2 Ų36.228%0.27921%0.212SC..EExtended strand (participates in β ladder)trans-112.5142.7168.6-42.5-171.2-175.5118.56111.2P719 I721 A753 E754 T756 I764P719-R766 HydrophobicContact CB-CB 3.76Å; P719-R766 HydrophobicContact CG-CB 4.32Å; I721-R766 CarbonylContact O-C 2.94Å; I721-R766 VanDerWaalsContact O-CA 3.22Å; I721-R766 WeakPolarHBondContact O-CA 3.42Å; A753-R766 WeakPolarHBondContact CA-O 3.47Å; E754-R766 HydrophobicContact CB-CB 4.25Å; E754-R766 HydrophobicContact CB-CG 4.48Å; E754-R766 PolarHBondContact N-O 3.02Å; E754-R766 PolarHBondContact O-N 3.4Å; E754-R766 IonicContact OE2-CZ 2.72Å; E754-R766 IonicContact OE2-NH1 2.7Å; E754-R766 PolarHBondContact OE2-NH1 2.96Å; T756-R766 PolarHBondContact OG1-NH2 3.35Å; I764-R766 HydrophobicContact CG2-CG 4.06Å
767A85.2Confident83.3Confident0 Ų035.5 Ų35.50%021%0.206CC..EExtended strand (participates in β ladder)trans-144.7159.4-179.900000112P719 V720 I721 L773P719-A767 CarbonylContact C-O 3.57Å; P719-A767 WeakPolarHBondContact CA-O 3.32Å; V720-A767 PolarHBondContact N-O 2.98Å; I721-A767 PolarHBondContact N-O 2.77Å; I721-A767 PolarHBondContact O-N 3.36Å; A767-L773 HydrophobicContact CB-CB 3.89Å; A767-L773 HydrophobicContact CB-CD1 4.16Å
768A80.2Confident83.5Confident16 Ų1635.1 Ų35.113%0.13220%0.203CC..SBendtrans-66.8-34.2179.100000114.1H772A768-H772 PolarHBondContact N-ND1 3.25Å
769G77.2Confident84Confident6 Ų633.9 Ų33.96%0.06220%0.195CC..SBendtrans-154.6169.5-170.500000113.2D105 I721 H772 L773D105-G769 VanDerWaalsContact OD2-CA 3.29Å; D105-G769 WeakPolarHBondContact OD2-CA 3.41Å; I721-G769 VanDerWaalsContact CD1-C 3.46Å; G769-H772 PolarHBondContact O-N 2.69Å; G769-L773 WeakPolarHBondContact O-CB 3.44Å; G769-L773 PolarHBondContact O-N 3.24Å
770E79.4Confident85Confident55 Ų5528.8 Ų28.826%0.25715%0.152SC..Hα-helixtrans-64.7-43-176-173.4178.7167.200111.7D105 L773 Q774 F1346 G1347D105-E770 PolarHBondContact OD2-N 3.29Å; E770-L773 PolarHBondContact O-N 3.46Å; E770-Q774 WeakPolarHBondContact O-CG 3.47Å; E770-Q774 PolarHBondContact O-N 3.42Å; E770-F1346 HydrophobicContact CB-CD1 4.36Å; E770-F1346 HydrophobicContact CG-CD1 4.36Å; E770-F1346 WeakPolarHBondContact OE2-CA 3.34Å; E770-G1347 PolarHBondContact OE2-N 2.8Å
771I82.5Confident85.9Confident46 Ų4627.7 Ų27.724%0.23615%0.146CC..Hα-helixtrans-71.8-36.6-178.6-65.2163.4000110.2I67 D105 F106 Q774 K775I67-I771 HydrophobicContact CD1-CG2 4.32Å; D105-I771 PolarHBondContact OD2-N 2.87Å; F106-I771 HydrophobicContact CE2-CG2 4.13Å; F106-I771 HydrophobicContact CZ-CG2 4.02Å; I771-Q774 PolarHBondContact O-N 2.73Å; I771-K775 PolarHBondContact O-N 2.93Å
772H86.8Confident86.3Confident0 Ų030.4 Ų30.40%015%0.145CC..Hα-helixtrans-65.5-42173.2174.1-159.7000111.6D105 F106 D750 C752 A768 G769 Q774 K775 C776D105-H772 HydrophobicContact CB-CB 3.82Å; F106-H772 HydrophobicContact CD1-CB 4.14Å; F106-H772 HydrophobicContact CE1-CB 3.63Å; F106-H772 AromaticContact CE1-CG 3.99Å; F106-H772 HydrophobicContact CZ-CB 4.34Å; D750-H772 IonicContact OD1-CE1 3.49Å; D750-H772 IonicContact OD1-NE2 3.18Å; D750-H772 PolarHBondContact OD1-NE2 3.5Å; D750-H772 IonicContact OD2-CD2 3.55Å; D750-H772 IonicContact OD2-NE2 3.67Å; D750-H772 PolarHBondContact OD2-NE2 3.27Å; C752-H772 VanDerWaalsContact SG-CE1 3.56Å; A768-H772 PolarHBondContact N-ND1 3.25Å; G769-H772 PolarHBondContact O-N 2.69Å; H772-Q774 PolarHBondContact O-N 2.7Å; H772-K775 WeakPolarHBondContact O-CB 3.31Å; H772-K775 PolarHBondContact O-N 3.06Å; H772-C776 PolarHBondContact CD2-SG 3.25Å; H772-C776 PolarHBondContact NE2-SG 3.01Å; H772-C776 PolarHBondContact O-N 3.22Å; H772-C776 PolarHBondContact O-SG 3.4Å; H772-C776 VanDerWaalsContact O-SG 3.36Å
773L88.5Confident86.2Confident1 Ų131.3 Ų31.31%0.00515%0.149CC..Hα-helixtrans-63.8-39.3175.6-174.254.2000112.7I721 V723 I765 A767 G769 E770 C776 I777 F795I721-L773 HydrophobicContact CG2-CD2 3.74Å; V723-L773 HydrophobicContact CB-CD2 4.05Å; V723-L773 HydrophobicContact CG2-CD2 3.63Å; I765-L773 HydrophobicContact CB-CD1 4.35Å; I765-L773 HydrophobicContact CG2-CD1 3.9Å; A767-L773 HydrophobicContact CB-CB 3.89Å; A767-L773 HydrophobicContact CB-CD1 4.16Å; G769-L773 WeakPolarHBondContact O-CB 3.44Å; G769-L773 PolarHBondContact O-N 3.24Å; E770-L773 PolarHBondContact O-N 3.46Å; L773-C776 PolarHBondContact O-N 3.29Å; L773-I777 HydrophobicContact CD1-CD1 4.2Å; L773-I777 HydrophobicContact CD1-CG1 4.49Å; L773-I777 HydrophobicContact CG-CD1 4.06Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 3.43Å; L773-F795 HydrophobicContact CD2-CD1 3.92Å; L773-F795 HydrophobicContact CD2-CE1 3.77Å
774Q87.9Confident86Confident75 Ų7530.5 Ų30.535%0.3515%0.146SC..Hα-helixtrans-59.5-48172.4-71.317512.700111.7E770 I771 H772 C776 I777 E778E770-Q774 WeakPolarHBondContact O-CG 3.47Å; E770-Q774 PolarHBondContact O-N 3.42Å; I771-Q774 PolarHBondContact O-N 2.73Å; H772-Q774 PolarHBondContact O-N 2.7Å; Q774-C776 VanDerWaalsContact C-N 3.33Å; Q774-C776 PolarHBondContact O-N 2.93Å; Q774-I777 PolarHBondContact O-N 2.71Å; Q774-E778 WeakPolarHBondContact O-CB 3.41Å; Q774-E778 WeakPolarHBondContact O-CG 3.29Å; Q774-E778 PolarHBondContact O-N 3.42Å
775K88.2Confident85.9Confident2 Ų228.9 Ų28.91%0.00914%0.138CC..Hα-helixtrans-54.4-46.8173.4172.9-156.9173-1660111.4M69 F106 E109 D750 I771 H772 I777 E778 D779M69-K775 HydrophobicContact CB-CD 4.38Å; M69-K775 PolarHBondContact O-NZ 3.41Å; M69-K775 HydrophobicContact SD-CB 4.34Å; F106-K775 HydrophobicContact CD1-CD 4.33Å; F106-K775 HydrophobicContact CE1-CB 4.46Å; F106-K775 HydrophobicContact CE1-CD 3.44Å; F106-K775 VanDerWaalsContact CE1-CD 3.44Å; F106-K775 HydrophobicContact CZ-CB 4.4Å; F106-K775 HydrophobicContact CZ-CD 3.9Å; E109-K775 IonicContact OE1-NZ 3Å; E109-K775 PolarHBondContact OE1-NZ 3.08Å; D750-K775 IonicContact OD2-NZ 2.71Å; D750-K775 PolarHBondContact OD2-NZ 3.42Å; I771-K775 PolarHBondContact O-N 2.93Å; H772-K775 WeakPolarHBondContact O-CB 3.31Å; H772-K775 PolarHBondContact O-N 3.06Å; K775-I777 VanDerWaalsContact C-N 3.33Å; K775-I777 PolarHBondContact O-N 3.07Å; K775-E778 PolarHBondContact O-N 2.66Å; K775-D779 WeakPolarHBondContact O-CB 3.16Å; K775-D779 PolarHBondContact O-N 2.95Å
776C90.2Very high85.2Confident1 Ų130.1 Ų30.11%0.00715%0.146CC..Hα-helixtrans-60.2-41.1179.1-72.80000113L746 H772 L773 Q774 L780L746-C776 HydrophobicContact CD1-CB 4.1Å; L746-C776 HydrophobicContact CD2-CB 4.15Å; H772-C776 PolarHBondContact CD2-SG 3.25Å; H772-C776 PolarHBondContact NE2-SG 3.01Å; H772-C776 PolarHBondContact O-N 3.22Å; H772-C776 PolarHBondContact O-SG 3.4Å; H772-C776 VanDerWaalsContact O-SG 3.36Å; L773-C776 PolarHBondContact O-N 3.29Å; Q774-C776 VanDerWaalsContact C-N 3.33Å; Q774-C776 PolarHBondContact O-N 2.93Å; C776-L780 VanDerWaalsContact O-CB 3.28Å; C776-L780 WeakPolarHBondContact O-CB 3.12Å; C776-L780 PolarHBondContact O-N 3.27Å
777I91.1Very high84.8Confident26 Ų2633.3 Ų33.313%0.13316%0.164CC..Hα-helixtrans-70.3-42.6177.4-67.8162.6000110.6L773 Q774 K775 L780 I781 I792L773-I777 HydrophobicContact CD1-CD1 4.2Å; L773-I777 HydrophobicContact CD1-CG1 4.49Å; L773-I777 HydrophobicContact CG-CD1 4.06Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 3.43Å; Q774-I777 PolarHBondContact O-N 2.71Å; K775-I777 VanDerWaalsContact C-N 3.33Å; K775-I777 PolarHBondContact O-N 3.07Å; I777-L780 PolarHBondContact O-N 2.77Å; I777-I781 HydrophobicContact CG2-CD1 3.75Å; I777-I781 VanDerWaalsContact O-CG1 3.31Å; I777-I781 WeakPolarHBondContact O-CG1 3.49Å; I777-I781 PolarHBondContact O-N 3.39Å; I777-I792 HydrophobicContact CD1-CD1 4.31Å; I777-I792 HydrophobicContact CD1-CG2 4.28Å; I777-I792 HydrophobicContact CG2-CD1 3.67Å
778E88.5Confident84.7Confident59 Ų5933.7 Ų33.728%0.27617%0.167SC..Hα-helixtrans-60.9-44.7174.6-76.4167-155.600112R65 Q774 K775 I781 K782R65-E778 IonicContact CZ-OE1 3.87Å; R65-E778 IonicContact CZ-OE2 2.77Å; R65-E778 IonicContact NH1-OE1 3.41Å; R65-E778 PolarHBondContact NH1-OE1 3.43Å; R65-E778 IonicContact NH1-OE2 2.77Å; R65-E778 PolarHBondContact NH1-OE2 3.35Å; R65-E778 IonicContact NH2-OE1 2.64Å; R65-E778 PolarHBondContact NH2-OE1 3.36Å; R65-E778 IonicContact NH2-OE2 3.81Å; Q774-E778 WeakPolarHBondContact O-CB 3.41Å; Q774-E778 WeakPolarHBondContact O-CG 3.29Å; Q774-E778 PolarHBondContact O-N 3.42Å; K775-E778 PolarHBondContact O-N 2.66Å; E778-I781 PolarHBondContact O-N 3.34Å; E778-K782 VanDerWaalsContact O-CB 3.24Å; E778-K782 WeakPolarHBondContact O-CB 3.24Å; E778-K782 WeakPolarHBondContact O-CG 3.4Å; E778-K782 PolarHBondContact O-N 3.27Å
779D88Confident85.1Confident12 Ų1240.3 Ų40.36%0.06420%0.195CC..Hα-helixtrans-66.5-38.1177.7-76.6-29.6000111.6K70 W457 K775 H783 F784K70-D779 WeakPolarHBondContact CE-OD2 3.49Å; K70-D779 IonicContact NZ-OD1 3.9Å; K70-D779 PolarHBondContact NZ-OD1 3.46Å; K70-D779 IonicContact NZ-OD2 3.51Å; K70-D779 PolarHBondContact NZ-OD2 3.06Å; W457-D779 HydrophobicContact CH2-CB 4.03Å; W457-D779 VanDerWaalsContact CH2-CG 3.49Å; W457-D779 WeakPolarHBondContact CH2-OD2 3.45Å; W457-D779 HydrophobicContact CZ2-CB 4.15Å; W457-D779 WeakPolarHBondContact CZ2-OD1 3.47Å; K775-D779 WeakPolarHBondContact O-CB 3.16Å; K775-D779 PolarHBondContact O-N 2.95Å; D779-H783 WeakPolarHBondContact O-CB 3.12Å; D779-H783 PolarHBondContact O-N 3.06Å; D779-H783 IonicContact OD1-CD2 3.65Å; D779-F784 HydrophobicContact CB-CD2 4.44Å; D779-F784 HydrophobicContact CB-CE2 4.03Å; D779-F784 WeakPolarHBondContact O-CD2 3.31Å; D779-F784 PolarHBondContact O-N 3.43Å
780L89.7Confident85.6Confident0 Ų041.5 Ų41.50%020%0.199CC..Iπ-helixtrans-62.2-47.5173.8-175.961.1000111.9L739 L743 I765 C776 I777 F784 A785 L790L739-L780 HydrophobicContact CD1-CD1 4.44Å; L739-L780 HydrophobicContact CD1-CD2 3.97Å; L743-L780 HydrophobicContact CD2-CD1 4.44Å; L743-L780 HydrophobicContact CD2-CD2 3.84Å; L743-L780 HydrophobicContact CG-CD2 4.49Å; I765-L780 HydrophobicContact CD1-CD2 4.15Å; C776-L780 VanDerWaalsContact O-CB 3.28Å; C776-L780 WeakPolarHBondContact O-CB 3.12Å; C776-L780 PolarHBondContact O-N 3.27Å; I777-L780 PolarHBondContact O-N 2.77Å; L780-F784 HydrophobicContact CD1-CB 4.17Å; L780-F784 PolarHBondContact O-N 2.91Å; L780-A785 HydrophobicContact CD1-CB 4.17Å; L780-A785 PolarHBondContact O-N 3.41Å; L780-L790 HydrophobicContact CD2-CD1 3.72Å; L780-L790 HydrophobicContact CG-CD1 4.07Å
781I89Confident86Confident73 Ų7344.5 Ų44.537%0.37421%0.214SC..Iπ-helixtrans-73.6-41.5-178.7-65.5168.1000112I777 E778 P786 L790I777-I781 HydrophobicContact CG2-CD1 3.75Å; I777-I781 VanDerWaalsContact O-CG1 3.31Å; I777-I781 WeakPolarHBondContact O-CG1 3.49Å; I777-I781 PolarHBondContact O-N 3.39Å; E778-I781 PolarHBondContact O-N 3.34Å; I781-P786 VanDerWaalsContact O-CA 3.25Å; I781-P786 WeakPolarHBondContact O-CA 3.09Å; I781-L790 HydrophobicContact CD1-CD1 4.19Å; I781-L790 HydrophobicContact CG1-CD1 3.64Å; I781-L790 HydrophobicContact CG1-CG 4.28Å
782K84.4Confident86.3Confident101 Ų10146 Ų4644%0.43922%0.222SC..Iπ-helixtrans-79.7-34.2-175.8-71.6-170.6174.2-168.60113.4E60 E778E60-K782 IonicContact OE2-NZ 3.25Å; E60-K782 PolarHBondContact OE2-NZ 3.49Å; E778-K782 VanDerWaalsContact O-CB 3.24Å; E778-K782 WeakPolarHBondContact O-CB 3.24Å; E778-K782 WeakPolarHBondContact O-CG 3.4Å; E778-K782 PolarHBondContact O-N 3.27Å
783H80.7Confident86.1Confident54 Ų5447.5 Ų47.525%0.2523%0.231CC..Iπ-helixtrans-125.6-42.7-165.4-60-67.9000115.2W457 D779W457-H783 AromaticContact CD1-CG 3.91Å; W457-H783 AromaticContact CD1-ND1 3.97Å; W457-H783 AromaticContact CE2-CD2 3.69Å; W457-H783 AromaticContact CE2-CG 3.76Å; W457-H783 HydrophobicContact CZ2-CB 4.3Å; W457-H783 AromaticContact CZ2-CD2 3.53Å; W457-H783 AromaticContact NE1-CD2 3.31Å; W457-H783 PolarHBondContact NE1-CD2 2.94Å; W457-H783 VanDerWaalsContact NE1-CD2 3.31Å; W457-H783 AromaticContact NE1-CE1 3.67Å; W457-H783 AromaticContact NE1-CG 3.04Å; W457-H783 AromaticContact NE1-ND1 3.3Å; W457-H783 PolarHBondContact NE1-ND1 3.09Å; W457-H783 AromaticContact NE1-NE2 3.68Å; D779-H783 WeakPolarHBondContact O-CB 3.12Å; D779-H783 PolarHBondContact O-N 3.06Å; D779-H783 IonicContact OD1-CD2 3.65Å
784F83.7Confident85.7Confident5 Ų551.7 Ų51.72%0.02226%0.259CS..Iπ-helixtrans-92.5-35.6-170.8-58.4-52000114.8W457 F529 L745 L746 A749 D779 L780W457-F784 AromaticContact CD2-CE1 3.91Å; W457-F784 HydrophobicContact CD2-CE1 3.91Å; W457-F784 AromaticContact CD2-CZ 3.89Å; W457-F784 HydrophobicContact CD2-CZ 3.89Å; W457-F784 AromaticContact CE3-CE1 3.83Å; W457-F784 HydrophobicContact CE3-CE1 3.83Å; W457-F784 AromaticContact CE3-CZ 3.46Å; W457-F784 HydrophobicContact CE3-CZ 3.46Å; W457-F784 VanDerWaalsContact CE3-CZ 3.46Å; W457-F784 HydrophobicContact CG-CE1 4.25Å; W457-F784 HydrophobicContact CH2-CE2 4.21Å; W457-F784 AromaticContact CH2-CZ 3.83Å; W457-F784 HydrophobicContact CH2-CZ 3.83Å; W457-F784 HydrophobicContact CZ2-CZ 4.23Å; W457-F784 HydrophobicContact CZ3-CE1 4.3Å; W457-F784 HydrophobicContact CZ3-CE2 4.22Å; W457-F784 AromaticContact CZ3-CZ 3.47Å; W457-F784 HydrophobicContact CZ3-CZ 3.47Å; W457-F784 VanDerWaalsContact CZ3-CZ 3.47Å; F529-F784 HydrophobicContact CE1-CD1 4.47Å; F529-F784 AromaticContact CE1-CE1 3.89Å; F529-F784 HydrophobicContact CE1-CE1 3.89Å; F529-F784 HydrophobicContact CZ-CD1 4.27Å; F529-F784 HydrophobicContact CZ-CE1 4.1Å; L745-F784 HydrophobicContact CB-CB 4.43Å; L745-F784 HydrophobicContact CB-CD1 3.6Å; L745-F784 HydrophobicContact CB-CE1 3.99Å; L745-F784 HydrophobicContact CB-CG 4.06Å; L745-F784 HydrophobicContact CD1-CD1 4.42Å; L746-F784 HydrophobicContact CB-CD2 3.96Å; L746-F784 HydrophobicContact CB-CE2 4.01Å; L746-F784 HydrophobicContact CD1-CD2 4.32Å; L746-F784 HydrophobicContact CD1-CE2 3.89Å; A749-F784 HydrophobicContact CB-CE1 4.37Å; A749-F784 HydrophobicContact CB-CE2 4.44Å; A749-F784 HydrophobicContact CB-CZ 3.65Å; D779-F784 HydrophobicContact CB-CD2 4.44Å; D779-F784 HydrophobicContact CB-CE2 4.03Å; D779-F784 WeakPolarHBondContact O-CD2 3.31Å; D779-F784 PolarHBondContact O-N 3.43Å; L780-F784 HydrophobicContact CD1-CB 4.17Å; L780-F784 PolarHBondContact O-N 2.91Å
785A85.1Confident85Confident1 Ų151.9 Ų51.91%0.00826%0.259CS..SBendtrans-137.652.9176.300000112L780 V788L780-A785 HydrophobicContact CD1-CB 4.17Å; L780-A785 PolarHBondContact O-N 3.41Å; A785-V788 HydrophobicContact CB-CB 4.46Å; A785-V788 HydrophobicContact CB-CG2 4.13Å; A785-V788 WeakPolarHBondContact O-CB 3.48Å; A785-V788 PolarHBondContact O-N 2.73Å
786P76.4Confident84.2Confident26 Ų2653 Ų5317%0.16927%0.266CS..THydrogen-bonded Turntrans-61155.1173.729.2-35.3000111.1P523 I781 V788P523-P786 HydrophobicContact CB-CG 3.28Å; P523-P786 HydrophobicContact CG-CG 3.73Å; I781-P786 VanDerWaalsContact O-CA 3.25Å; I781-P786 WeakPolarHBondContact O-CA 3.09Å; P786-V788 PolarHBondContact O-N 3.47Å
787E78.5Confident83.4Confident140 Ų14053.1 Ų53.165%0.65427%0.266SS*.THydrogen-bonded Turntrans73.8-15.7-166.5-48.6175.8160.800115.8R738 E789R738-E787 IonicContact CZ-OE2 3.14Å; R738-E787 IonicContact NH1-OE2 3.28Å; R738-E787 PolarHBondContact NH1-OE2 2.88Å; R738-E787 IonicContact NH2-OE2 3.3Å; E787-E789 PolarHBondContact O-N 2.76Å
788V83.9Confident82.7Confident8 Ų853.8 Ų53.85%0.04827%0.272CS..  trans-83.7113.4178-171.60000110.6P727 D735 R738 A785 P786 L790P727-V788 HydrophobicContact CB-CG1 4.25Å; D735-V788 HydrophobicContact CB-CG1 4.38Å; R738-V788 HydrophobicContact CB-CG2 3.76Å; A785-V788 HydrophobicContact CB-CB 4.46Å; A785-V788 HydrophobicContact CB-CG2 4.13Å; A785-V788 WeakPolarHBondContact O-CB 3.48Å; A785-V788 PolarHBondContact O-N 2.73Å; P786-V788 PolarHBondContact O-N 3.47Å; V788-L790 HydrophobicContact CB-CD2 4.36Å; V788-L790 HydrophobicContact CG1-CD2 3.71Å; V788-L790 PolarHBondContact O-N 2.78Å
789E87.2Confident82.5Confident156 Ų15651.1 Ų51.173%0.72926%0.26SS*.  trans-70.8124.8169.3-67.2-173.6173.900110.2A728 E787A728-E789 HydrophobicContact CB-CB 3.88Å; A728-E789 WeakPolarHBondContact CB-O 3.43Å; A728-E789 PolarHBondContact N-O 2.89Å; E787-E789 PolarHBondContact O-N 2.76Å
790L88.3Confident82.4Confident30 Ų3053.1 Ų53.116%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-108.2130.4-175.9-57.2-178.4000112V725 E726 L739 L780 I781 V788 I792V725-L790 HydrophobicContact CG1-CB 4.26Å; V725-L790 HydrophobicContact CG1-CD1 4.04Å; V725-L790 HydrophobicContact CG1-CD2 4.17Å; V725-L790 HydrophobicContact CG1-CG 4.39Å; E726-L790 WeakPolarHBondContact O-CA 3.36Å; L739-L790 HydrophobicContact CD1-CD2 3.76Å; L739-L790 HydrophobicContact CD2-CD2 4.24Å; L780-L790 HydrophobicContact CD2-CD1 3.72Å; L780-L790 HydrophobicContact CG-CD1 4.07Å; I781-L790 HydrophobicContact CD1-CD1 4.19Å; I781-L790 HydrophobicContact CG1-CD1 3.64Å; I781-L790 HydrophobicContact CG1-CG 4.28Å; V788-L790 HydrophobicContact CB-CD2 4.36Å; V788-L790 HydrophobicContact CG1-CD2 3.71Å; V788-L790 PolarHBondContact O-N 2.78Å; L790-I792 HydrophobicContact CB-CG1 4.44Å
791Q88.1Confident82.4Confident119 Ų11953.1 Ų53.156%0.55627%0.266SS*.EExtended strand (participates in β ladder)trans-91.7120.2165.4-176.7171.1-41.400109.1E726E726-Q791 PolarHBondContact N-O 3Å; E726-Q791 PolarHBondContact O-N 2.74Å
792I87.8Confident82.5Confident78 Ų7850.3 Ų50.340%0.425%0.253SS..EExtended strand (participates in β ladder)trans-110123.3-173.9-56.1162.8000108.6V723 I777 L790V723-I792 HydrophobicContact CG1-CG2 3.5Å; V723-I792 VanDerWaalsContact CG1-CG2 3.5Å; I777-I792 HydrophobicContact CD1-CD1 4.31Å; I777-I792 HydrophobicContact CD1-CG2 4.28Å; I777-I792 HydrophobicContact CG2-CD1 3.67Å; L790-I792 HydrophobicContact CB-CG1 4.44Å
793S83.8Confident82.6Confident30 Ų3045.8 Ų45.821%0.2123%0.233CC..PPolyproline II helixtrans-76.5160177.367.70000112.3A724A724-S793 WeakPolarHBondContact CA-OG 3.3Å; A724-S793 WeakPolarHBondContact CB-OG 3.3Å; A724-S793 PolarHBondContact N-OG 3.32Å; A724-S793 WeakPolarHBondContact O-CB 3.5Å; A724-S793 PolarHBondContact O-N 3.46Å; A724-S793 PolarHBondContact O-OG 3.11Å
794P78.6Confident82.6Confident89 Ų8946.8 Ų46.858%0.57824%0.24SC*.PPolyproline II helixtrans-60.8157.3172.1-19.831.3000111.9R1449P794-R1449 PolarHBondContact O-NH2 3.44Å
795F74.7Confident82.1Confident80 Ų8050.1 Ų50.135%0.35126%0.258SS..PPolyproline II helixtrans-57.2146.8177.3-49.2-69.8000112.7I721 V723 L773 F1346I721-F795 HydrophobicContact CG2-CB 4.37Å; I721-F795 HydrophobicContact CG2-CD1 3.78Å; I721-F795 HydrophobicContact CG2-CG 4.42Å; V723-F795 HydrophobicContact CG2-CB 4.47Å; V723-F795 HydrophobicContact CG2-CD1 3.44Å; V723-F795 VanDerWaalsContact CG2-CD1 3.44Å; V723-F795 HydrophobicContact CG2-CE1 4.02Å; V723-F795 HydrophobicContact CG2-CG 4.3Å; L773-F795 HydrophobicContact CD2-CD1 3.92Å; L773-F795 HydrophobicContact CD2-CE1 3.77Å; F795-F1346 HydrophobicContact CB-CE1 4.12Å; F795-F1346 HydrophobicContact CB-CE2 4.02Å; F795-F1346 HydrophobicContact CB-CZ 3.59Å; F795-F1346 HydrophobicContact CD1-CE1 4.12Å; F795-F1346 HydrophobicContact CD1-CZ 4.43Å; F795-F1346 HydrophobicContact CD2-CD1 4.15Å; F795-F1346 HydrophobicContact CD2-CE1 4.03Å; F795-F1346 HydrophobicContact CD2-CE2 4.41Å; F795-F1346 HydrophobicContact CD2-CG 4.4Å; F795-F1346 HydrophobicContact CD2-CZ 4.18Å; F795-F1346 HydrophobicContact CE2-CD1 4.36Å; F795-F1346 HydrophobicContact CG-CD1 4.39Å; F795-F1346 AromaticContact CG-CE1 3.81Å; F795-F1346 HydrophobicContact CG-CE1 3.81Å; F795-F1346 HydrophobicContact CG-CE2 4.38Å; F795-F1346 AromaticContact CG-CZ 3.82Å; F795-F1346 HydrophobicContact CG-CZ 3.82Å
796V71.4Confident81.2Confident25 Ų2551.5 Ų51.515%0.15227%0.269CS..BIsolated β-bridgetrans-127.8138.2175.9-1560000109.7S722 V1446S722-V796 PolarHBondContact N-O 3.28Å; S722-V796 PolarHBondContact O-N 3.18Å; V796-V1446 HydrophobicContact CG1-CG2 4.08Å
797V73.6Confident80.5Confident3 Ų350.9 Ų50.92%0.01827%0.265CS..  trans-116.1128.2169-176.50000107.1A1295 V1342 I1343V797-A1295 HydrophobicContact CG1-CB 3.87Å; V797-V1342 HydrophobicContact CB-CG1 4.43Å; V797-V1342 HydrophobicContact CG1-CB 3.96Å; V797-V1342 HydrophobicContact CG1-CG1 3.88Å; V797-V1342 HydrophobicContact CG2-CB 4.2Å; V797-V1342 HydrophobicContact CG2-CG1 3.61Å; V797-I1343 HydrophobicContact CG2-CB 3.96Å; V797-I1343 HydrophobicContact CG2-CG1 4.35Å
798P75.3Confident79.3Confident40 Ų4050.4 Ų50.426%0.2627%0.267SS..  trans-68.3144.3176.228.9-34.3000110.8W1370P798-W1370 WeakPolarHBondContact O-CZ3 3.43Å
799F83.8Confident77.6Confident4 Ų453.8 Ų53.82%0.01829%0.288CS..  trans-95.6175.1171.7-65.6-65000111.1E1073 I1294 V1446F799-E1073 HydrophobicContact CB-CG 4.18Å; F799-I1294 HydrophobicContact CE1-CB 4.46Å; F799-I1294 HydrophobicContact CE1-CD1 4.27Å; F799-I1294 HydrophobicContact CE1-CG1 4.16Å; F799-V1446 HydrophobicContact CD2-CB 4.36Å; F799-V1446 HydrophobicContact CD2-CG1 4.41Å; F799-V1446 HydrophobicContact CD2-CG2 3.92Å; F799-V1446 HydrophobicContact CE2-CB 4.22Å; F799-V1446 HydrophobicContact CE2-CG2 3.6Å
800R87.5Confident75.1Confident53 Ų5350.7 Ų50.720%0.228%0.284CS..EExtended strand (participates in β ladder)trans-125.9158160.4-61.4-67.1174.2-107.75.4110.5E1073 P1074 Y1076 L1292 M1293 W1370R800-E1073 IonicContact NH1-OE2 2.93Å; R800-E1073 PolarHBondContact NH1-OE2 3.13Å; R800-P1074 WeakPolarHBondContact CA-O 3.44Å; R800-P1074 VanDerWaalsContact CD-O 3.3Å; R800-P1074 WeakPolarHBondContact CD-O 3.38Å; R800-Y1076 HydrophobicContact CB-CG 4.37Å; R800-Y1076 HydrophobicContact CG-CD2 4.35Å; R800-Y1076 HydrophobicContact CG-CG 4.5Å; R800-L1292 CarbonylContact O-C 3.58Å; R800-L1292 VanDerWaalsContact O-CA 3.29Å; R800-L1292 WeakPolarHBondContact O-CA 3.41Å; R800-M1293 HydrophobicContact CB-CB 4.26Å; R800-M1293 PolarHBondContact N-O 3.32Å; R800-M1293 PolarHBondContact O-N 3.33Å; R800-W1370 HydrophobicContact CB-CE3 4.35Å; R800-W1370 HydrophobicContact CG-CD2 3.73Å; R800-W1370 HydrophobicContact CG-CE3 3.64Å; R800-W1370 HydrophobicContact CG-CG 4.5Å; R800-W1370 HydrophobicContact CG-CH2 3.81Å; R800-W1370 HydrophobicContact CG-CZ2 3.88Å; R800-W1370 HydrophobicContact CG-CZ3 3.68Å
801E88.9Confident72.3Confident0 Ų055.9 Ų55.90%031%0.312CS..EExtended strand (participates in β ladder)trans-111.9131.1-178.1-55.1-172-170.300110.3G1068 P1069 L1070 C1071 A1072 E1073 P1074 M1075 Y1076 F1284 L1292E801-G1068 VanDerWaalsContact OE2-C 3.28Å; E801-G1068 VanDerWaalsContact OE2-CA 3.32Å; E801-G1068 WeakPolarHBondContact OE2-CA 3.43Å; E801-P1069 WeakPolarHBondContact OE2-CD 3.49Å; E801-L1070 HydrophobicContact CB-CD1 4.43Å; E801-L1070 HydrophobicContact CG-CB 4.27Å; E801-L1070 HydrophobicContact CG-CD1 4.4Å; E801-L1070 PolarHBondContact OE1-N 3.47Å; E801-L1070 WeakPolarHBondContact OE2-CB 3.39Å; E801-L1070 PolarHBondContact OE2-N 3.23Å; E801-C1071 PolarHBondContact OE1-N 3.45Å; E801-A1072 PolarHBondContact OE1-N 3.21Å; E801-E1073 HydrophobicContact CG-CB 4.24Å; E801-E1073 PolarHBondContact OE1-N 3.36Å; E801-P1074 PolarHBondContact N-O 3.09Å; E801-M1075 CarbonylContact O-C 3.57Å; E801-M1075 VanDerWaalsContact O-CA 3.31Å; E801-M1075 WeakPolarHBondContact O-CA 3.5Å; E801-Y1076 PolarHBondContact O-N 2.93Å; E801-F1284 HydrophobicContact CB-CE2 4.26Å; E801-F1284 HydrophobicContact CB-CZ 4.05Å; E801-L1292 HydrophobicContact CG-CD2 3.94Å
802T90Very high69.4Low15 Ų1554.9 Ų54.99%0.09232%0.318CS..EExtended strand (participates in β ladder)trans-143.8168.8-174.7-158.90000112.3Y1076 R1291 M1293 L1372T802-Y1076 WeakPolarHBondContact CB-O 3.37Å; T802-Y1076 PolarHBondContact OG1-O 3.26Å; T802-R1291 HydrophobicContact CG2-CB 4.03Å; T802-R1291 PolarHBondContact N-O 2.87Å; T802-R1291 PolarHBondContact O-N 3.44Å; T802-M1293 HydrophobicContact CG2-CG 3.66Å; T802-M1293 HydrophobicContact CG2-SD 3.95Å; T802-L1372 HydrophobicContact CG2-CD1 3.86Å
803I86.8Confident66.6Low6 Ų656.7 Ų56.73%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-125.9139175.956.3174.1000109.4A924 I1078 F1284 C1287 F1289 Q1290I803-A924 HydrophobicContact CD1-CB 4.05Å; I803-I1078 HydrophobicContact CD1-CG2 4.02Å; I803-I1078 HydrophobicContact CG1-CD1 4.48Å; I803-I1078 HydrophobicContact CG1-CG1 4.45Å; I803-I1078 HydrophobicContact CG1-CG2 4.41Å; I803-F1284 HydrophobicContact CG2-CD1 4.48Å; I803-F1284 HydrophobicContact CG2-CD2 3.92Å; I803-F1284 HydrophobicContact CG2-CE1 4.36Å; I803-F1284 HydrophobicContact CG2-CE2 3.78Å; I803-F1284 HydrophobicContact CG2-CG 4.28Å; I803-F1284 HydrophobicContact CG2-CZ 4Å; I803-C1287 HydrophobicContact CB-CB 4.36Å; I803-C1287 HydrophobicContact CG2-CB 3.88Å; I803-F1289 WeakPolarHBondContact CA-O 3.38Å; I803-Q1290 HydrophobicContact CG2-CG 4.44Å
804I82Confident64Low74 Ų7460.3 Ų60.338%0.37935%0.353SS..SBendtrans-84.5-49.2175.1-59.3177.6000110.2P926 F1289 R1291 L1372I804-P926 WeakPolarHBondContact O-CB 3.42Å; I804-P926 WeakPolarHBondContact O-CG 3.37Å; I804-F1289 HydrophobicContact CB-CB 4.05Å; I804-F1289 HydrophobicContact CD1-CB 4.46Å; I804-F1289 HydrophobicContact CG1-CB 4.47Å; I804-F1289 PolarHBondContact N-O 3.03Å; I804-F1289 VanDerWaalsContact N-O 3.09Å; I804-R1291 HydrophobicContact CD1-CG 3.78Å; I804-R1291 HydrophobicContact CG1-CG 3.98Å; I804-L1372 HydrophobicContact CD1-CD2 4.1Å; I804-L1372 HydrophobicContact CG1-CD2 4.5Å
805D72.3Confident61.7Low75 Ų7563.2 Ų63.240%0.40136%0.362SS..SBendtrans-111.2152-176.5-71.6-13.2000112.1P1288 F1289D805-P1288 HydrophobicContact CB-CG 4.33Å; D805-F1289 HydrophobicContact CB-CD2 4.01Å; D805-F1289 WeakPolarHBondContact OD2-CD2 3.45Å; D805-F1289 VanDerWaalsContact OD2-CE2 3.24Å; D805-F1289 WeakPolarHBondContact OD2-CE2 3.29Å
806A67.3Low59.9Low31 Ų3163.5 Ų63.526%0.25637%0.366SS..  trans-65.4163.1171.700000112.2H925A806-H925 WeakPolarHBondContact CB-ND1 3.36Å
807C60.7Low58.2Low12 Ų1265.9 Ų65.98%0.08138%0.384CS..  trans-62.3136.4166.457.70000110.9T809 A924C807-T809 PolarHBondContact O-N 2.86Å; C807-A924 PolarHBondContact N-O 3.17Å
808N53Low56.8Low130 Ų13067.3 Ų67.370%0.69539%0.392SS*.  trans-64.294.4-178.8-78-12.4000112.2
809T49Very low55.1Low80 Ų8067.9 Ų67.949%0.49140%0.397SS..  trans-101.76.3170.850.40000113.2C807 N811C807-T809 PolarHBondContact O-N 2.86Å; T809-N811 PolarHBondContact O-N 3.45Å
810S34.7Very low53.1Low91 Ų9169.9 Ų69.964%0.63641%0.407SS*.  trans-83.569.8-173.646.60000113.6
811N29.1Very low50.8Low139 Ų13972.4 Ų72.474%0.74343%0.425SS*.SBendtrans165.5117.1133.5-84.2-27.4000111.7T809T809-N811 PolarHBondContact O-N 3.45Å
812S28Very low48.5Very low97 Ų9774 Ų7468%0.67844%0.436SS*.SBendtrans57.4106.5170.773.60000115.2
813I28.8Very low46.5Very low116 Ų11677.3 Ų77.360%0.59545%0.447SS*.  -161.1129.555.5-76.8151.6000108.3L815 I816I813-L815 PolarHBondContact O-N 3.24Å; I813-I816 HydrophobicContact CB-CD1 4.26Å; I813-I816 HydrophobicContact CB-CG1 3.84Å; I813-I816 HydrophobicContact CD1-CD1 3.68Å; I813-I816 HydrophobicContact CD1-CG1 3.95Å; I813-I816 HydrophobicContact CG1-CG1 4.48Å; I813-I816 HydrophobicContact CG2-CD1 4.38Å; I813-I816 HydrophobicContact CG2-CG1 3.47Å; I813-I816 VanDerWaalsContact CG2-CG1 3.47Å
814S28.2Very low44.6Very low107 Ų10780.4 Ų80.475%0.74846%0.461SS*.THydrogen-bonded Turntrans-64.9127.9158.240.40000109.3
815L31.6Very low43Very low150 Ų15083 Ų8379%0.78547%0.47SS*.THydrogen-bonded Turntrans66.148169.6-53.4156.9000116.2I813 S817I813-L815 PolarHBondContact O-N 3.24Å; L815-S817 VanDerWaalsContact C-N 3.28Å; L815-S817 PolarHBondContact O-N 3.04Å; L815-S817 VanDerWaalsContact O-N 3.09Å
816I36Very low41.7Very low85 Ų8580.8 Ų80.844%0.43646%0.462SS..  trans-72.896147.3-51.9-176.3000106.3I813 L818 S822I813-I816 HydrophobicContact CB-CD1 4.26Å; I813-I816 HydrophobicContact CB-CG1 3.84Å; I813-I816 HydrophobicContact CD1-CD1 3.68Å; I813-I816 HydrophobicContact CD1-CG1 3.95Å; I813-I816 HydrophobicContact CG1-CG1 4.48Å; I813-I816 HydrophobicContact CG2-CD1 4.38Å; I813-I816 HydrophobicContact CG2-CG1 3.47Å; I813-I816 VanDerWaalsContact CG2-CG1 3.47Å; I816-L818 PolarHBondContact O-N 2.97Å; I816-S822 WeakPolarHBondContact CG2-OG 3.38Å
817S36.6Very low40.8Very low75 Ų7584 Ų8452%0.52447%0.468SS..  trans-50.8137.3162.959.10000108.8L815 S819 S822L815-S817 VanDerWaalsContact C-N 3.28Å; L815-S817 PolarHBondContact O-N 3.04Å; L815-S817 VanDerWaalsContact O-N 3.09Å; S817-S819 PolarHBondContact O-N 3.45Å; S817-S822 PolarHBondContact O-OG 2.88Å
818L44.1Very low40.4Very low33 Ų3388.1 Ų88.117%0.17349%0.488CS..  trans-66.757.6171.5-102.5100.6000112.3I816 L919 E1084 V1086I816-L818 PolarHBondContact O-N 2.97Å; L818-L919 HydrophobicContact CD2-CB 4.28Å; L818-L919 HydrophobicContact CD2-CD1 3.43Å; L818-L919 VanDerWaalsContact CD2-CD1 3.43Å; L818-L919 HydrophobicContact CD2-CG 4.46Å; L818-E1084 WeakPolarHBondContact CD1-OE2 3.21Å; L818-V1086 HydrophobicContact CB-CG2 3.85Å; L818-V1086 HydrophobicContact CD2-CG2 4.3Å; L818-V1086 HydrophobicContact CG-CG2 4.49Å
819S39Very low40.1Very low52 Ų5287.8 Ų87.836%0.36448%0.483SS..  trans-66.4138.8163.273.30000108.2S817 L821 S822 Y823S817-S819 PolarHBondContact O-N 3.45Å; S819-L821 PolarHBondContact O-N 2.85Å; S819-S822 PolarHBondContact O-N 3.24Å; S819-S822 PolarHBondContact O-OG 3.17Å; S819-S822 PolarHBondContact OG-N 2.99Å; S819-S822 PolarHBondContact OG-OG 3.42Å; S819-Y823 PolarHBondContact O-N 3.21Å
820N41.1Very low40.2Very low46 Ų4688.9 Ų88.925%0.24648%0.481CS..Hα-helixtrans-51.5-33.7176.8-81.8-88.9000112.3S822 Y823 E824 E1088 L1093N820-S822 VanDerWaalsContact C-N 3.32Å; N820-S822 PolarHBondContact O-N 3.4Å; N820-Y823 PolarHBondContact O-N 3.07Å; N820-E824 WeakPolarHBondContact O-CB 3.21Å; N820-E824 PolarHBondContact O-N 3.46Å; N820-E1088 PolarHBondContact ND2-OE1 3.1Å; N820-L1093 HydrophobicContact CB-CD2 4.16Å; N820-L1093 VanDerWaalsContact CG-CD2 3.44Å; N820-L1093 WeakPolarHBondContact ND2-CD2 3.46Å
821L40.6Very low40.8Very low107 Ų10787.2 Ų87.256%0.5646%0.463SS*.Hα-helixtrans-63.4-28.4179.5-139.182000114.9S819 K825S819-L821 PolarHBondContact O-N 2.85Å; L821-K825 WeakPolarHBondContact O-CB 3.12Å; L821-K825 VanDerWaalsContact O-CD 3.3Å; L821-K825 WeakPolarHBondContact O-CD 3.48Å; L821-K825 WeakPolarHBondContact O-CG 3.5Å; L821-K825 PolarHBondContact O-N 3.28Å
822S40.6Very low41.6Very low33 Ų3382.7 Ų82.723%0.23144%0.442CS..Hα-helixtrans-84.2-41.3177.438.10000111.5I816 S817 S819 N820 A826I816-S822 WeakPolarHBondContact CG2-OG 3.38Å; S817-S822 PolarHBondContact O-OG 2.88Å; S819-S822 PolarHBondContact O-N 3.24Å; S819-S822 PolarHBondContact O-OG 3.17Å; S819-S822 PolarHBondContact OG-N 2.99Å; S819-S822 PolarHBondContact OG-OG 3.42Å; N820-S822 VanDerWaalsContact C-N 3.32Å; N820-S822 PolarHBondContact O-N 3.4Å; S822-A826 PolarHBondContact O-N 3.06Å; S822-A826 VanDerWaalsContact O-N 3.1Å
823Y46.7Very low42.5Very low84 Ų8480.6 Ų80.633%0.32942%0.423SS..Hα-helixtrans-64-46.6172.7-178.8-91.4000111.9S819 N820 K825 A826 Y827S819-Y823 PolarHBondContact O-N 3.21Å; N820-Y823 PolarHBondContact O-N 3.07Å; Y823-K825 VanDerWaalsContact C-N 3.34Å; Y823-K825 PolarHBondContact O-N 2.92Å; Y823-A826 PolarHBondContact O-N 3.43Å; Y823-A826 VanDerWaalsContact O-N 3.17Å; Y823-Y827 WeakPolarHBondContact O-CB 3.25Å; Y823-Y827 PolarHBondContact O-N 3.27Å
824E47.1Very low43.5Very low72 Ų7277.9 Ų77.934%0.33641%0.412SS..Hα-helixtrans-62.3-38.6178.8-174.1174.5-140.200111.5N820 Y827 I828N820-E824 WeakPolarHBondContact O-CB 3.21Å; N820-E824 PolarHBondContact O-N 3.46Å; E824-Y827 PolarHBondContact O-N 2.96Å; E824-I828 HydrophobicContact CG-CD1 3.78Å; E824-I828 HydrophobicContact CG-CG1 4.48Å; E824-I828 VanDerWaalsContact O-CB 3.31Å; E824-I828 WeakPolarHBondContact O-CB 3.3Å; E824-I828 WeakPolarHBondContact O-CG1 3.47Å; E824-I828 PolarHBondContact O-N 2.8Å
825K48.2Very low44.3Very low128 Ų12879.1 Ų79.156%0.55741%0.406SS*.Hα-helixtrans-63.6-44.9171.5-79.3172.9-173.6178.30112.8L821 Y823 Y827 Q829L821-K825 WeakPolarHBondContact O-CB 3.12Å; L821-K825 VanDerWaalsContact O-CD 3.3Å; L821-K825 WeakPolarHBondContact O-CD 3.48Å; L821-K825 WeakPolarHBondContact O-CG 3.5Å; L821-K825 PolarHBondContact O-N 3.28Å; Y823-K825 VanDerWaalsContact C-N 3.34Å; Y823-K825 PolarHBondContact O-N 2.92Å; K825-Y827 VanDerWaalsContact C-N 3.34Å; K825-Q829 WeakPolarHBondContact O-CB 3.49Å; K825-Q829 VanDerWaalsContact O-CG 3.26Å; K825-Q829 WeakPolarHBondContact O-CG 3.32Å; K825-Q829 PolarHBondContact O-N 3.24Å
826A44.8Very low44.7Very low28 Ų2879.8 Ų79.823%0.23140%0.402CS..Hα-helixtrans-65.1-39.2177.800000111.7S822 Y823 Q829 F830S822-A826 PolarHBondContact O-N 3.06Å; S822-A826 VanDerWaalsContact O-N 3.1Å; Y823-A826 PolarHBondContact O-N 3.43Å; Y823-A826 VanDerWaalsContact O-N 3.17Å; A826-Q829 PolarHBondContact O-N 3.01Å; A826-F830 WeakPolarHBondContact O-CB 3.44Å; A826-F830 PolarHBondContact O-N 3.3Å
827Y48.8Very low44.7Very low99 Ų9982.4 Ų82.439%0.38841%0.411SS..Hα-helixtrans-68.4-44.5176.4-173.3-90.2000112.5Y823 E824 K825 Q829 F830 E831Y823-Y827 WeakPolarHBondContact O-CB 3.25Å; Y823-Y827 PolarHBondContact O-N 3.27Å; E824-Y827 PolarHBondContact O-N 2.96Å; K825-Y827 VanDerWaalsContact C-N 3.34Å; Y827-Q829 VanDerWaalsContact C-N 3.3Å; Y827-Q829 PolarHBondContact O-N 2.68Å; Y827-F830 WeakPolarHBondContact O-CA 3.37Å; Y827-F830 WeakPolarHBondContact O-CB 3.39Å; Y827-F830 PolarHBondContact O-N 3.42Å; Y827-F830 VanDerWaalsContact O-N 3.11Å; Y827-E831 HydrophobicContact CD1-CG 4.49Å; Y827-E831 HydrophobicContact CE1-CG 3.89Å; Y827-E831 PolarHBondContact O-N 3.41Å
828I51.6Low44.5Very low98 Ų9885.2 Ų85.250%0.50342%0.42SS..Hα-helixtrans-65.3-35175-69.5168.1000110.9E824 S832E824-I828 HydrophobicContact CG-CD1 3.78Å; E824-I828 HydrophobicContact CG-CG1 4.48Å; E824-I828 VanDerWaalsContact O-CB 3.31Å; E824-I828 WeakPolarHBondContact O-CB 3.3Å; E824-I828 WeakPolarHBondContact O-CG1 3.47Å; E824-I828 PolarHBondContact O-N 2.8Å; I828-S832 WeakPolarHBondContact O-CB 3.22Å; I828-S832 PolarHBondContact O-N 3.48Å
829Q48.5Very low44.1Very low124 Ų12488 Ų8858%0.57944%0.435SS*.Hα-helixtrans-64.9-40.9170.6-77.5175.6-13.700111.6K825 A826 Y827 S832 L833K825-Q829 WeakPolarHBondContact O-CB 3.49Å; K825-Q829 VanDerWaalsContact O-CG 3.26Å; K825-Q829 WeakPolarHBondContact O-CG 3.32Å; K825-Q829 PolarHBondContact O-N 3.24Å; A826-Q829 PolarHBondContact O-N 3.01Å; Y827-Q829 VanDerWaalsContact C-N 3.3Å; Y827-Q829 PolarHBondContact O-N 2.68Å; Q829-S832 PolarHBondContact O-N 2.84Å; Q829-L833 WeakPolarHBondContact O-CB 3.49Å; Q829-L833 WeakPolarHBondContact O-CD1 3.31Å; Q829-L833 WeakPolarHBondContact O-CG 3.17Å; Q829-L833 PolarHBondContact O-N 3.44Å
830F49.3Very low43.6Very low102 Ų10290.6 Ų90.645%0.44745%0.448SS..Hα-helixtrans-61.3-52.4174.1-175.2-99.8000112.2A826 Y827 S832 L833 V834 F902A826-F830 WeakPolarHBondContact O-CB 3.44Å; A826-F830 PolarHBondContact O-N 3.3Å; Y827-F830 WeakPolarHBondContact O-CA 3.37Å; Y827-F830 WeakPolarHBondContact O-CB 3.39Å; Y827-F830 PolarHBondContact O-N 3.42Å; Y827-F830 VanDerWaalsContact O-N 3.11Å; F830-S832 VanDerWaalsContact C-N 3.33Å; F830-S832 PolarHBondContact O-N 3.02Å; F830-L833 PolarHBondContact O-N 3.43Å; F830-L833 VanDerWaalsContact O-N 3.17Å; F830-V834 HydrophobicContact CD1-CG2 4.16Å; F830-V834 HydrophobicContact CE1-CG2 3.82Å; F830-V834 HydrophobicContact CE2-CG2 4.4Å; F830-V834 HydrophobicContact CZ-CG2 3.95Å; F830-V834 WeakPolarHBondContact O-CG2 3.38Å; F830-V834 PolarHBondContact O-N 2.93Å; F830-F902 HydrophobicContact CB-CE1 3.78Å; F830-F902 HydrophobicContact CB-CZ 3.71Å; F830-F902 AromaticContact CD2-CE1 3.99Å; F830-F902 HydrophobicContact CD2-CE1 3.99Å; F830-F902 HydrophobicContact CD2-CE2 4.42Å; F830-F902 AromaticContact CD2-CZ 3.89Å; F830-F902 HydrophobicContact CD2-CZ 3.89Å; F830-F902 HydrophobicContact CG-CE1 4.29Å; F830-F902 HydrophobicContact CG-CZ 4.3Å
831E47.3Very low43Very low56 Ų5697.2 Ų97.226%0.26248%0.483SS..Hα-helixtrans-60.2-42.2175.4-85-155.2166.400112Y827 L833 V834 Q835 Y1098Y827-E831 HydrophobicContact CD1-CG 4.49Å; Y827-E831 HydrophobicContact CE1-CG 3.89Å; Y827-E831 PolarHBondContact O-N 3.41Å; E831-L833 VanDerWaalsContact C-N 3.28Å; E831-L833 PolarHBondContact O-N 2.89Å; E831-V834 PolarHBondContact O-N 2.97Å; E831-Q835 WeakPolarHBondContact O-CB 3.47Å; E831-Q835 VanDerWaalsContact O-CG 3.3Å; E831-Q835 WeakPolarHBondContact O-CG 3.3Å; E831-Q835 PolarHBondContact O-N 3.22Å; E831-Y1098 PolarHBondContact OE1-OH 3.26Å
832S47.3Very low42.2Very low45 Ų4597.9 Ų97.932%0.31549%0.487SS..Hα-helixtrans-62.8-34.9177-173.10000112.2I828 Q829 F830 K836I828-S832 WeakPolarHBondContact O-CB 3.22Å; I828-S832 PolarHBondContact O-N 3.48Å; Q829-S832 PolarHBondContact O-N 2.84Å; F830-S832 VanDerWaalsContact C-N 3.33Å; F830-S832 PolarHBondContact O-N 3.02Å; S832-K836 WeakPolarHBondContact O-CB 3.29Å; S832-K836 VanDerWaalsContact O-CG 3.23Å; S832-K836 WeakPolarHBondContact O-CG 3.47Å; S832-K836 PolarHBondContact O-N 3.02Å
833L47.2Very low41.6Very low53 Ų53106 Ų10628%0.27752%0.518SS..Hα-helixtrans-69.9-47.7172.8-73.1162.7000111Q829 F830 E831 Q835 K836 F837 F902Q829-L833 WeakPolarHBondContact O-CB 3.49Å; Q829-L833 WeakPolarHBondContact O-CD1 3.31Å; Q829-L833 WeakPolarHBondContact O-CG 3.17Å; Q829-L833 PolarHBondContact O-N 3.44Å; F830-L833 PolarHBondContact O-N 3.43Å; F830-L833 VanDerWaalsContact O-N 3.17Å; E831-L833 VanDerWaalsContact C-N 3.28Å; E831-L833 PolarHBondContact O-N 2.89Å; L833-Q835 VanDerWaalsContact C-N 3.31Å; L833-Q835 PolarHBondContact O-N 3.02Å; L833-K836 PolarHBondContact O-N 2.96Å; L833-F837 HydrophobicContact CB-CD2 4.37Å; L833-F837 HydrophobicContact CD2-CD2 4.46Å; L833-F837 HydrophobicContact CD2-CE2 3.84Å; L833-F837 WeakPolarHBondContact O-CB 3.28Å; L833-F837 WeakPolarHBondContact O-CD2 3.44Å; L833-F837 PolarHBondContact O-N 2.8Å; L833-F902 HydrophobicContact CD1-CE2 4.34Å
834V48.6Very low40.5Very low58 Ų58108.9 Ų108.935%0.35254%0.539SS..Hα-helixtrans-58.7-41.8177.4170.80000111.5F830 E831 N838F830-V834 HydrophobicContact CD1-CG2 4.16Å; F830-V834 HydrophobicContact CE1-CG2 3.82Å; F830-V834 HydrophobicContact CE2-CG2 4.4Å; F830-V834 HydrophobicContact CZ-CG2 3.95Å; F830-V834 WeakPolarHBondContact O-CG2 3.38Å; F830-V834 PolarHBondContact O-N 2.93Å; E831-V834 PolarHBondContact O-N 2.97Å; V834-N838 PolarHBondContact O-N 3.36Å
835Q44.8Very low39.6Very low134 Ų134110.1 Ų110.163%0.62656%0.555SS**Hα-helixtrans-69.4-45.1174.3-70.8176.4200112.2E831 L833 F837 N838E831-Q835 WeakPolarHBondContact O-CB 3.47Å; E831-Q835 VanDerWaalsContact O-CG 3.3Å; E831-Q835 WeakPolarHBondContact O-CG 3.3Å; E831-Q835 PolarHBondContact O-N 3.22Å; L833-Q835 VanDerWaalsContact C-N 3.31Å; L833-Q835 PolarHBondContact O-N 3.02Å; Q835-F837 VanDerWaalsContact C-N 3.34Å; Q835-F837 PolarHBondContact O-N 2.89Å; Q835-N838 PolarHBondContact O-N 2.83Å; Q835-N838 VanDerWaalsContact O-N 3.11Å
836K40.2Very low38.6Very low164 Ų164111.7 Ų111.771%0.71357%0.569SS**Hα-helixtrans-63.1-36.1177.2-85.6175.9174.3172.30113.4S832 L833 N838S832-K836 WeakPolarHBondContact O-CB 3.29Å; S832-K836 VanDerWaalsContact O-CG 3.23Å; S832-K836 WeakPolarHBondContact O-CG 3.47Å; S832-K836 PolarHBondContact O-N 3.02Å; L833-K836 PolarHBondContact O-N 2.96Å; K836-N838 PolarHBondContact O-N 3.06Å
837F35.6Very low37.9Very low139 Ų139118.1 Ų118.161%0.6159%0.594SS**THydrogen-bonded Turntrans-81.6-0.6176.8-74.3-62.7000113.5L833 Q835 L839L833-F837 HydrophobicContact CB-CD2 4.37Å; L833-F837 HydrophobicContact CD2-CD2 4.46Å; L833-F837 HydrophobicContact CD2-CE2 3.84Å; L833-F837 WeakPolarHBondContact O-CB 3.28Å; L833-F837 WeakPolarHBondContact O-CD2 3.44Å; L833-F837 PolarHBondContact O-N 2.8Å; Q835-F837 VanDerWaalsContact C-N 3.34Å; Q835-F837 PolarHBondContact O-N 2.89Å; F837-L839 HydrophobicContact CB-CD1 4.25Å; F837-L839 HydrophobicContact CB-CG 4.08Å; F837-L839 PolarHBondContact O-N 3.18Å; F837-L839 VanDerWaalsContact O-N 3.1Å
838N33.6Very low36.8Very low135 Ų135118.8 Ų118.872%0.72260%0.604SS**THydrogen-bonded Turntrans53.634.7171.5-126.3-10.4000113V834 Q835 K836 T840V834-N838 PolarHBondContact O-N 3.36Å; Q835-N838 PolarHBondContact O-N 2.83Å; Q835-N838 VanDerWaalsContact O-N 3.11Å; K836-N838 PolarHBondContact O-N 3.06Å; N838-T840 PolarHBondContact O-N 2.87Å
839L34.4Very low35.8Very low91 Ų91121 Ų12148%0.47661%0.612SS.*  trans-73.677-176.9-72172.1000110.4F837 L841 L848F837-L839 HydrophobicContact CB-CD1 4.25Å; F837-L839 HydrophobicContact CB-CG 4.08Å; F837-L839 PolarHBondContact O-N 3.18Å; F837-L839 VanDerWaalsContact O-N 3.1Å; L839-L841 PolarHBondContact O-N 3.43Å; L839-L848 HydrophobicContact CD2-CD1 3.78Å
840T29.5Very low34.8Very low107 Ų107119.6 Ų119.666%0.65662%0.616SS**  trans-60.9119.6168.848.60000109.5N838 N842N838-T840 PolarHBondContact O-N 2.87Å; T840-N842 PolarHBondContact O-N 2.97Å
841L27.8Very low33.6Very low184 Ų184122 Ų12296%0.96363%0.633SS**  trans-67.665174.9-86.3149000111.3L839L839-L841 PolarHBondContact O-N 3.43Å
842N25.5Very low32.6Very low121 Ų121126.5 Ų126.565%0.64766%0.659SS**  trans-121.279.7-173.8-104.8-23.6000111.5T840 N844T840-N842 PolarHBondContact O-N 2.97Å; N842-N844 PolarHBondContact O-N 3.15Å
843K27.6Very low31.6Very low204 Ų204131.8 Ų131.889%0.88768%0.683SS**SBendtrans57-14.5152.2-69.4-175.4173.7-179.30121.4
844N23.8Very low30.4Very low145 Ų145138.1 Ų138.178%0.77571%0.711SS**  trans-12892-179.4-63.8-7.7000109.5N842N842-N844 PolarHBondContact O-N 3.15Å
845C27.4Very low29.3Very low98 Ų98142.8 Ų142.866%0.66273%0.733SS**  trans-127.735-176.9-127.80000113.6Q847C845-Q847 VanDerWaalsContact C-N 3.26Å; C845-Q847 PolarHBondContact O-N 2.71Å
846D28Very low28.2Very low160 Ų160141.9 Ų141.986%0.85674%0.739SS**THydrogen-bonded Turntrans-79.1-0.9179.6-64.5-52.7000114.2
847Q28.3Very low27.4Very low163 Ų163140 Ų14076%0.76275%0.746SS**THydrogen-bonded Turntrans-1186.9-167.2-70.2-171.7-26.200116.4C845 S850C845-Q847 VanDerWaalsContact C-N 3.26Å; C845-Q847 PolarHBondContact O-N 2.71Å; Q847-S850 PolarHBondContact O-OG 3.29Å
848L26.2Very low26.9Very low113 Ų113137.6 Ų137.659%0.59275%0.747SS**SBendtrans-102.76-179-75.1174.5000115.6L839L839-L848 HydrophobicContact CD2-CD1 3.78Å
849Q30Very low26.4Very low145 Ų145138.6 Ų138.668%0.67875%0.751SS**SBendtrans-99.72.4170.1-77.1-169.4-33.300114
850S28.5Very low25.8Very low95 Ų95139.5 Ų139.566%0.66476%0.764SS**  trans-87.3-0.4-17552.80000115.2Q847 N852Q847-S850 PolarHBondContact O-OG 3.29Å; S850-N852 PolarHBondContact O-N 2.93Å
851L24.3Very low25.5Very low153 Ų153140 Ų14080%0.80177%0.767SS**  trans-88.647.9175.9-74.6171.9000112.9L853L851-L853 PolarHBondContact O-N 2.89Å
852N25.9Very low25.4Very low149 Ų149138 Ų13880%0.79776%0.762SS**  trans-80.2103.7156.7-104-18.2000108S850 Q854S850-N852 PolarHBondContact O-N 2.93Å; N852-Q854 PolarHBondContact O-N 3.18Å
853L25.7Very low25.3Very low157 Ų157135.3 Ų135.382%0.82276%0.764SS**  trans-62.1102.9169.4-99.6150.9000108.9L851 L855L851-L853 PolarHBondContact O-N 2.89Å; L853-L855 PolarHBondContact O-N 3.49Å; L853-L855 VanDerWaalsContact O-N 3.09Å
854Q22.9Very low25.2Very low186 Ų186133 Ų13387%0.86976%0.761SS**  trans-59.1111167.5-68.5171.4-81.700108.9N852N852-Q854 PolarHBondContact O-N 3.18Å
855L24.6Very low25.4Very low155 Ų155134.1 Ų134.181%0.81277%0.767SS**  trans-85.9145152.5-92.584.6000109L853 S857L853-L855 PolarHBondContact O-N 3.49Å; L853-L855 VanDerWaalsContact O-N 3.09Å; L855-S857 PolarHBondContact O-N 2.71Å
856P23.4Very low25.2Very low116 Ų116137.7 Ų137.775%0.75377%0.774SS**  trans-75.5126.7-173.2-10.327.3000111.2S858P856-S858 PolarHBondContact O-N 3.33Å
857S22.8Very low25.2Very low124 Ų124137 Ų13787%0.86777%0.769SS**  trans-78.594.2166.155.90000110.1L855L855-S857 PolarHBondContact O-N 2.71Å
858S24.5Very low25Very low88 Ų88138.4 Ų138.462%0.61577%0.773SS**  trans-152.9141.5170.363.20000113.3P856P856-S858 PolarHBondContact O-N 3.33Å
859L22.7Very low25.1Very low156 Ų156138.8 Ų138.882%0.81778%0.783SS**  trans68.4110.1-175.9-67.679.6000114.5
860C21.5Very low24.8Very low111 Ų111139.1 Ų139.175%0.7579%0.794SS**  92.9115.250.3-730000113.4
861T24.4Very low24.6Very low117 Ų117140.9 Ų140.972%0.71880%0.801SS**  trans43.7120.9136.660.60000120.8
862T24.5Very low24.7Very low141 Ų141140.5 Ų140.587%0.86581%0.806SS**  trans60.7126.3139.8600000120.6
863G24.9Very low24.7Very low66 Ų66139.1 Ų139.168%0.6880%0.803SS**  trans107.2102.6149.400000116.3
864D25.7Very low24.8Very low156 Ų156138.2 Ų138.283%0.83480%0.797SS**  37.8151.7129-48.5-29.8000123.3
865D27Very low25.1Very low168 Ų168136.8 Ų136.890%0.89880%0.796SS**  trans89.3145.6162.4-66.4-21000122.2
866E24.3Very low25.3Very low172 Ų172135.9 Ų135.980%0.80480%0.797SS**  trans-84.9152.6-164.7-51.6174.3115.300114.4
867L26.9Very low25.7Very low145 Ų145133.5 Ų133.576%0.75979%0.794SS**  154.2118.1122.2-82.7156.3000116.1
868K24.7Very low26Very low194 Ų194133.5 Ų133.584%0.84378%0.784SS**  trans39.4141.4145.8-70.1177.8179.4171.10123.6
869P27.7Very low26.4Very low121 Ų121135.9 Ų135.979%0.78679%0.79SS**  trans-100.6159.1-175.340-36.2000115.8
870T23.4Very low26.7Very low151 Ų151135.6 Ų135.693%0.92679%0.788SS**  trans-144.6143.8163.243.40000113.5
871T24.9Very low26.9Very low132 Ų132139.8 Ų139.881%0.8179%0.794SS**  trans-95.8150.2-177.9440000114
872T26.3Very low27.1Very low146 Ų146139.3 Ų139.390%0.89680%0.795SS**  trans-159.1166.6150.527.50000112.7
873T26Very low27Very low120 Ų120141.4 Ų141.474%0.73680%0.799SS**  trans-142.5146.6-151.232.50000116
874I27.8Very low27.2Very low138 Ų138142.5 Ų142.571%0.70880%0.796SS**  trans67.5131144.9-59158.6000120.3
875N28.5Very low27.1Very low155 Ų155141.4 Ų141.483%0.82980%0.799SS**  179.5157121-94-56.7000113.9
876T30Very low27Very low136 Ų136137.9 Ų137.983%0.83479%0.788SS**  trans-143.5158.8-161.649.60000116.2
877G30.7Very low27.1Very low67 Ų67135.9 Ų135.969%0.69179%0.787SS**  trans97.9156157.100000116.9
878D29.5Very low26.9Very low124 Ų124137 Ų13766%0.66379%0.789SS**  cis-169.6157.6-12.6-116.7-27.9000110.1
879N33.7Very low26.9Very low138 Ų138137.1 Ų137.174%0.73879%0.789SS**  trans148.1105.5139.8-78.7-59.6000119.2
880L28.6Very low26.8Very low149 Ų149138 Ų13878%0.7879%0.787SS**  78.9127.6125.1-66.6170.7000125
881K25.5Very low26.8Very low200 Ų200139.5 Ų139.587%0.8778%0.783SS**  trans100.168.7152.3-65.6177.3-176.7176.80121.3
882S28.6Very low26.8Very low106 Ų106140.3 Ų140.374%0.74178%0.782SS**SBendtrans-156.7164.7131.257.40000108.4S884S882-S884 PolarHBondContact O-N 2.89Å
883I23.1Very low26.7Very low185 Ų185141.3 Ų141.395%0.94978%0.775SS**  trans-80.781.2-158-52.1175.3000112.3
884S27.8Very low26.5Very low90 Ų90144.5 Ų144.563%0.62978%0.781SS**  trans-107.5123.9166.251.90000109.9S882 S886S882-S884 PolarHBondContact O-N 2.89Å; S884-S886 VanDerWaalsContact C-N 3.28Å; S884-S886 PolarHBondContact O-N 2.79Å
885C23.6Very low26.4Very low132 Ų132145.9 Ų145.989%0.89278%0.784SS**  trans-83.672-177.8-161.10000111.6
886S25.4Very low26.3Very low94 Ų94145.2 Ų145.266%0.65778%0.78SS**  trans-98.8115.7167560000109.8S884S884-S886 VanDerWaalsContact C-N 3.28Å; S884-S886 PolarHBondContact O-N 2.79Å
887T26Very low26.1Very low130 Ų130145.1 Ų145.180%0.79877%0.774SS**  trans-127.9104.7170.649.90000111.6K889T887-K889 PolarHBondContact O-N 2.98Å
888Q23.4Very low26.1Very low170 Ų170146.7 Ų146.779%0.79477%0.767SS**  trans-60.6116.7176.6-61149.9-24.200111.4
889K24Very low26.5Very low195 Ų195147.2 Ų147.285%0.84877%0.768SS**  trans-158.799.5153.1-98.2-174.7-176.7176.90107.2T887T887-K889 PolarHBondContact O-N 2.98Å
890L26.3Very low26.6Very low139 Ų139147.3 Ų147.373%0.72877%0.768SS**  trans165.950.1156.6-91.3161.1000111.6N892 F893L890-N892 PolarHBondContact O-N 2.91Å; L890-N892 VanDerWaalsContact O-N 3.12Å; L890-F893 HydrophobicContact CD2-CD2 3.47Å; L890-F893 VanDerWaalsContact CD2-CD2 3.47Å; L890-F893 HydrophobicContact CD2-CE2 3.98Å; L890-F893 HydrophobicContact CD2-CG 4.48Å
891H22.2Very low27.1Very low183 Ų183145 Ų14585%0.84776%0.757SS**THydrogen-bonded Turntrans-82.324.3177.4-148.5-65.7000113.6
892N25.2Very low27.8Very low150 Ų150139 Ų13980%0.80273%0.731SS**THydrogen-bonded Turntrans-141.431.2-168.4-97.8-3.5000113.6L890L890-N892 PolarHBondContact O-N 2.91Å; L890-N892 VanDerWaalsContact O-N 3.12Å
893F24.6Very low28.6Very low167 Ų167137.1 Ų137.173%0.73272%0.716SS**  trans-137.968.7171.4-83.3-83.7000112.1L890 H895L890-F893 HydrophobicContact CD2-CD2 3.47Å; L890-F893 VanDerWaalsContact CD2-CD2 3.47Å; L890-F893 HydrophobicContact CD2-CE2 3.98Å; L890-F893 HydrophobicContact CD2-CG 4.48Å; F893-H895 PolarHBondContact O-N 2.8Å; F893-H895 VanDerWaalsContact O-N 3.16Å
894H22.4Very low29.9Very low187 Ų187134.3 Ų134.387%0.86670%0.702SS**  trans-73.294.2157-93.9-82.6000109
895H25.5Very low31Very low166 Ų166130.8 Ų130.877%0.76968%0.677SS**  trans-142.9124.8157.7-104.3-71.5000108.9F893 L897F893-H895 PolarHBondContact O-N 2.8Å; F893-H895 VanDerWaalsContact O-N 3.16Å; H895-L897 PolarHBondContact O-N 3Å
896N25.4Very low32.3Very low141 Ų141126.5 Ų126.575%0.75465%0.645SS**  trans-54.5123.4-176.5-58-12000110.8
897L26.1Very low33.7Very low135 Ų135123.7 Ų123.771%0.70762%0.621SS**  trans-101.981.6172.5-87.8152000108.3H895 I899H895-L897 PolarHBondContact O-N 3Å; L897-I899 VanDerWaalsContact C-N 3.34Å; L897-I899 PolarHBondContact O-N 2.79Å
898D31.3Very low35.1Very low100 Ų100121.3 Ų121.354%0.53560%0.601SS.*  trans-71.487.7175.2-71.6-45.6000110.5N900D898-N900 PolarHBondContact O-N 3.04Å; D898-N900 VanDerWaalsContact O-N 3.17Å
899I38.2Very low36.4Very low134 Ų134113.9 Ų113.969%0.68757%0.566SS**G310 helixtrans-66.8-9.9174.3-63.5170.1000111.4L897 N901L897-I899 VanDerWaalsContact C-N 3.34Å; L897-I899 PolarHBondContact O-N 2.79Å; I899-N901 PolarHBondContact O-N 2.78Å
900N36.2Very low37.3Very low140 Ų140106.9 Ų106.975%0.74954%0.541SS*.G310 helixtrans-71.4-5.8-179.8-63.1-19.3000115.2D898D898-N900 PolarHBondContact O-N 3.04Å; D898-N900 VanDerWaalsContact O-N 3.17Å
901N38.4Very low38.3Very low102 Ų102107.6 Ų107.655%0.54554%0.54SS..G310 helixtrans-94.614.9-168.5-77-16.9000116.2I899I899-N901 PolarHBondContact O-N 2.78Å
902F39.9Very low39.3Very low74 Ų74100.9 Ų100.933%0.32551%0.514SS..  trans-92.7120.9178.2-87.3-75.6000113.1F830 L833 I904F830-F902 HydrophobicContact CB-CE1 3.78Å; F830-F902 HydrophobicContact CB-CZ 3.71Å; F830-F902 AromaticContact CD2-CE1 3.99Å; F830-F902 HydrophobicContact CD2-CE1 3.99Å; F830-F902 HydrophobicContact CD2-CE2 4.42Å; F830-F902 AromaticContact CD2-CZ 3.89Å; F830-F902 HydrophobicContact CD2-CZ 3.89Å; F830-F902 HydrophobicContact CG-CE1 4.29Å; F830-F902 HydrophobicContact CG-CZ 4.3Å; L833-F902 HydrophobicContact CD1-CE2 4.34Å; F902-I904 PolarHBondContact O-N 2.87Å
903P44.6Very low40.3Very low66 Ų6699.4 Ų99.443%0.42950%0.5SS..  trans-79.682.1179.433.3-35.5000111.2S905 I906P903-S905 PolarHBondContact O-N 2.99Å; P903-S905 VanDerWaalsContact O-N 3.12Å; P903-I906 HydrophobicContact CB-CD1 3.81Å; P903-I906 HydrophobicContact CB-CG1 4.16Å; P903-I906 HydrophobicContact CG-CD1 3.74Å
904I50.5Low41.5Very low126 Ų12697.1 Ų97.165%0.64650%0.502SS*.THydrogen-bonded Turntrans-64.4-12.9-179.7-66.3164000112.5F902F902-I904 PolarHBondContact O-N 2.87Å
905S50.7Low42.9Very low16 Ų1695 Ų9511%0.11249%0.487CS..THydrogen-bonded Turntrans-88.39.1-177.7540000116.2P903 V922P903-S905 PolarHBondContact O-N 2.99Å; P903-S905 VanDerWaalsContact O-N 3.12Å; S905-V922 WeakPolarHBondContact CB-O 3.35Å
906I52.4Low44.3Very low42 Ų4287.3 Ų87.322%0.21545%0.451CS..EExtended strand (participates in β ladder)trans-97.7113.6179.1-58.7177000110.4P903 L919 R921P903-I906 HydrophobicContact CB-CD1 3.81Å; P903-I906 HydrophobicContact CB-CG1 4.16Å; P903-I906 HydrophobicContact CG-CD1 3.74Å; I906-L919 HydrophobicContact CG2-CB 4.18Å; I906-L919 HydrophobicContact CG2-CD2 3.89Å; I906-L919 HydrophobicContact CG2-CG 4.49Å; I906-R921 HydrophobicContact CG1-CG 4.38Å
907F53.7Low45.8Very low35 Ų3584.4 Ų84.415%0.15443%0.43CS..EExtended strand (participates in β ladder)trans-98.8120174.8-172.6-100000111.9P910 L919 I920 A1275 R1278 A1279F907-P910 HydrophobicContact CZ-CG 4.35Å; F907-L919 WeakPolarHBondContact O-CA 3.15Å; F907-I920 PolarHBondContact N-O 3.33Å; F907-I920 VanDerWaalsContact N-O 3.08Å; F907-I920 PolarHBondContact O-N 3.23Å; F907-A1275 HydrophobicContact CD1-CB 4.18Å; F907-A1275 HydrophobicContact CE1-CB 4.16Å; F907-R1278 HydrophobicContact CD1-CB 4.28Å; F907-R1278 HydrophobicContact CD2-CB 3.93Å; F907-R1278 HydrophobicContact CE1-CB 4.16Å; F907-R1278 HydrophobicContact CE2-CB 3.81Å; F907-R1278 HydrophobicContact CE2-CG 4.34Å; F907-R1278 HydrophobicContact CG-CB 4.18Å; F907-R1278 HydrophobicContact CZ-CB 3.95Å; F907-R1278 HydrophobicContact CZ-CG 4.25Å; F907-A1279 HydrophobicContact CB-CB 4.14Å
908Q55.3Low47.6Very low80 Ų8078.5 Ų78.537%0.37440%0.399SS..EExtended strand (participates in β ladder)trans-90.7128.8169.6-174-177.3-15.700110.9P910 L919Q908-P910 WeakPolarHBondContact O-CD 3.4Å; Q908-L919 HydrophobicContact CB-CD2 3.64Å; Q908-L919 HydrophobicContact CG-CD2 3.93Å
909L51Low49.2Very low14 Ų1474.5 Ų74.57%0.07338%0.377CS..PPolyproline II helixtrans-62.3117177.2-113.9163.6000112.7I918 L1271 A1275L909-I918 HydrophobicContact CB-CB 4.4Å; L909-I918 HydrophobicContact CD1-CB 3.91Å; L909-I918 HydrophobicContact CD1-CD1 3.79Å; L909-I918 HydrophobicContact CD1-CG1 4.28Å; L909-I918 HydrophobicContact CD1-CG2 4.33Å; L909-I918 PolarHBondContact N-O 3.18Å; L909-L1271 HydrophobicContact CD2-CB 4.28Å; L909-A1275 HydrophobicContact CD1-CB 3.86Å; L909-A1275 HydrophobicContact CD2-CB 3.96Å; L909-A1275 HydrophobicContact CG-CB 3.62Å
910P44.3Very low50.9Low47 Ų4768.1 Ų68.131%0.30535%0.345SS..THydrogen-bonded Turntrans-75.3139.6160.132-31.4000109F907 Q908F907-P910 HydrophobicContact CZ-CG 4.35Å; Q908-P910 WeakPolarHBondContact O-CD 3.4Å
911H45.8Very low52.7Low155 Ų15564.8 Ų64.872%0.71832%0.322SS*.THydrogen-bonded Turntrans8527178.5-53-84.7000118.6
912S43.2Very low54.7Low42 Ų4260 Ų6029%0.29430%0.296SS..  trans-61149.1147.645.20000110.9T916S912-T916 WeakPolarHBondContact CB-O 3.49Å; S912-T916 WeakPolarHBondContact CB-OG1 3.23Å; S912-T916 PolarHBondContact OG-O 2.91Å
913K47.7Very low56.7Low118 Ų11856.5 Ų56.551%0.51328%0.281SS..  trans-52.3153.7157.2-70.6-179.9-174.9175.90108.1R915 T916 D1266K913-R915 PolarHBondContact O-N 3.35Å; K913-T916 PolarHBondContact O-N 3.48Å; K913-D1266 HydrophobicContact CD-CB 4.15Å; K913-D1266 IonicContact NZ-OD1 3.94Å; K913-D1266 PolarHBondContact NZ-OD1 3.14Å; K913-D1266 IonicContact NZ-OD2 3.48Å
914P47.9Very low58.6Low120 Ų12053.4 Ų53.478%0.77926%0.26SS*.THydrogen-bonded Turntrans-60.93-167.423.7-35.9000116.7
915R53.1Low60.2Low143 Ų14348 Ų4854%0.5423%0.232SC..THydrogen-bonded Turntrans-114.70.8-175.1-62.9-175.5121.2147.2-1.3115.1K913 N1089 L1090 D1091K913-R915 PolarHBondContact O-N 3.35Å; R915-N1089 CarbonylContact O-C 3.47Å; R915-N1089 VanDerWaalsContact O-CA 3.31Å; R915-N1089 WeakPolarHBondContact O-CA 3.36Å; R915-N1089 PolarHBondContact O-OD1 2.8Å; R915-N1089 VanDerWaalsContact O-OD1 3.08Å; R915-L1090 VanDerWaalsContact C-CD1 3.43Å; R915-L1090 PolarHBondContact O-N 3.29Å; R915-D1091 IonicContact CZ-OD1 3.34Å; R915-D1091 IonicContact CZ-OD2 2.94Å; R915-D1091 VanDerWaalsContact NE-CG 3.26Å; R915-D1091 IonicContact NE-OD1 2.82Å; R915-D1091 PolarHBondContact NE-OD1 3.4Å; R915-D1091 IonicContact NE-OD2 3.32Å; R915-D1091 PolarHBondContact NE-OD2 2.74Å; R915-D1091 IonicContact NH2-OD1 3.32Å; R915-D1091 PolarHBondContact NH2-OD1 3.28Å; R915-D1091 IonicContact NH2-OD2 3.4Å; R915-D1091 PolarHBondContact NH2-OD2 2.83Å
916T54.1Low61.9Low4 Ų449.3 Ų49.33%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-129.3150.4177.763.60000113.7S912 K913 E1088 W1263S912-T916 WeakPolarHBondContact CB-O 3.49Å; S912-T916 WeakPolarHBondContact CB-OG1 3.23Å; S912-T916 PolarHBondContact OG-O 2.91Å; K913-T916 PolarHBondContact O-N 3.48Å; T916-E1088 CarbonylContact C-O 3.58Å; T916-E1088 VanDerWaalsContact CA-O 3.26Å; T916-E1088 WeakPolarHBondContact CA-O 3.41Å; T916-W1263 HydrophobicContact CG2-CE3 3.63Å; T916-W1263 HydrophobicContact CG2-CZ3 4.24Å
917R58Low63.5Low79 Ų7948.1 Ų48.130%0.29823%0.234SC..EExtended strand (participates in β ladder)trans-127.8142.1169.4-72.6178.2176.4-173.6-4.1109A1087 E1088 L1090R917-A1087 CarbonylContact O-C 3.55Å; R917-A1087 WeakPolarHBondContact O-CA 3.15Å; R917-E1088 HydrophobicContact CB-CB 4.42Å; R917-E1088 PolarHBondContact N-O 3.24Å; R917-E1088 PolarHBondContact O-N 3.47Å; R917-L1090 HydrophobicContact CG-CD1 3.88Å
918I63.8Low65Low11 Ų1147.5 Ų47.56%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-131.4132.9169.5-51.6179.1000108L909 I920 I1085 V1086 A1087 I1267L909-I918 HydrophobicContact CB-CB 4.4Å; L909-I918 HydrophobicContact CD1-CB 3.91Å; L909-I918 HydrophobicContact CD1-CD1 3.79Å; L909-I918 HydrophobicContact CD1-CG1 4.28Å; L909-I918 HydrophobicContact CD1-CG2 4.33Å; L909-I918 PolarHBondContact N-O 3.18Å; I918-I920 HydrophobicContact CG2-CG1 4.35Å; I918-I1085 HydrophobicContact CG2-CG2 4.46Å; I918-V1086 CarbonylContact C-O 3.55Å; I918-V1086 VanDerWaalsContact CA-O 3.27Å; I918-V1086 WeakPolarHBondContact CA-O 3.47Å; I918-A1087 HydrophobicContact CG1-CB 4.38Å; I918-I1267 HydrophobicContact CD1-CB 4.35Å; I918-I1267 HydrophobicContact CD1-CD1 3.54Å; I918-I1267 HydrophobicContact CD1-CG1 3.88Å; I918-I1267 HydrophobicContact CD1-CG2 3.57Å; I918-I1267 HydrophobicContact CG1-CD1 4.18Å
919L65.6Low66.2Low16 Ų1647.9 Ų47.98%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-121.9127.7177.4-59.7168.8000108L818 I906 F907 Q908 I1085 V1086L818-L919 HydrophobicContact CD2-CB 4.28Å; L818-L919 HydrophobicContact CD2-CD1 3.43Å; L818-L919 VanDerWaalsContact CD2-CD1 3.43Å; L818-L919 HydrophobicContact CD2-CG 4.46Å; I906-L919 HydrophobicContact CG2-CB 4.18Å; I906-L919 HydrophobicContact CG2-CD2 3.89Å; I906-L919 HydrophobicContact CG2-CG 4.49Å; F907-L919 WeakPolarHBondContact O-CA 3.15Å; Q908-L919 HydrophobicContact CB-CD2 3.64Å; Q908-L919 HydrophobicContact CG-CD2 3.93Å; L919-I1085 WeakPolarHBondContact O-CA 3.49Å; L919-V1086 HydrophobicContact CB-CB 4.38Å; L919-V1086 PolarHBondContact N-O 3.06Å; L919-V1086 PolarHBondContact O-N 3.16Å
920I73Confident67.7Low1 Ų151.1 Ų51.11%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-118.1130.3175.4-51.3175.6000107.4F907 I918 V922 L1057 L1082 I1085 L1272 A1275 M1276 A1279F907-I920 PolarHBondContact N-O 3.33Å; F907-I920 VanDerWaalsContact N-O 3.08Å; F907-I920 PolarHBondContact O-N 3.23Å; I918-I920 HydrophobicContact CG2-CG1 4.35Å; I920-V922 HydrophobicContact CG2-CG2 4.02Å; I920-L1057 HydrophobicContact CD1-CD2 4.48Å; I920-L1082 HydrophobicContact CG2-CD1 3.89Å; I920-I1085 HydrophobicContact CG2-CG1 4.41Å; I920-L1272 HydrophobicContact CD1-CD1 3.73Å; I920-A1275 HydrophobicContact CD1-CB 3.8Å; I920-M1276 HydrophobicContact CG2-SD 4.21Å; I920-A1279 HydrophobicContact CB-CB 4.44Å; I920-A1279 HydrophobicContact CG2-CB 4.28Å
921R73.2Confident69.6Low70 Ų7049.2 Ų49.226%0.26425%0.246SC..EExtended strand (participates in β ladder)trans-116.6120.2178.7-175.3177.4162.2-165-11.1110.2I906 E1083 E1084I906-R921 HydrophobicContact CG1-CG 4.38Å; R921-E1083 HydrophobicContact CG-CB 4.26Å; R921-E1083 IonicContact CZ-OE2 3.73Å; R921-E1083 IonicContact NE-OE2 3.68Å; R921-E1083 PolarHBondContact NE-OE2 3.03Å; R921-E1083 IonicContact NH2-OE2 2.74Å; R921-E1083 PolarHBondContact NH2-OE2 2.89Å; R921-E1083 PolarHBondContact O-N 3Å; R921-E1084 HydrophobicContact CB-CB 4.45Å; R921-E1084 PolarHBondContact N-O 3.22Å
922V80.8Confident71.4Confident0 Ų042.7 Ų42.70%022%0.216CC..EExtended strand (participates in β ladder)trans-131.6136.2-178.7-177.60000109.3S905 I920 F1080 V1081 L1082 M1276 A1279 A1283S905-V922 WeakPolarHBondContact CB-O 3.35Å; I920-V922 HydrophobicContact CG2-CG2 4.02Å; V922-F1080 HydrophobicContact CG1-CB 4.29Å; V922-F1080 HydrophobicContact CG1-CD1 3.89Å; V922-V1081 CarbonylContact C-O 3.55Å; V922-V1081 VanDerWaalsContact CA-O 3.31Å; V922-V1081 WeakPolarHBondContact CA-O 3.28Å; V922-L1082 HydrophobicContact CG2-CD1 4.01Å; V922-M1276 HydrophobicContact CG2-CE 4.18Å; V922-M1276 HydrophobicContact CG2-SD 4.06Å; V922-A1279 HydrophobicContact CB-CB 4.38Å; V922-A1279 HydrophobicContact CG2-CB 3.86Å; V922-A1283 HydrophobicContact CB-CB 4.43Å; V922-A1283 HydrophobicContact CG1-CB 4.27Å; V922-A1283 WeakPolarHBondContact O-CB 3.49Å
923T82.1Confident73.3Confident2 Ų244.7 Ų44.71%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-114154.8170.9530000111.3H925 F1080 V1081 E1083T923-H925 PolarHBondContact OG1-NE2 3.27Å; T923-H925 VanDerWaalsContact OG1-NE2 3.12Å; T923-F1080 WeakPolarHBondContact O-CA 3.48Å; T923-V1081 PolarHBondContact N-O 2.63Å; T923-V1081 PolarHBondContact O-N 3.36Å; T923-E1083 WeakPolarHBondContact CG2-OE1 3.47Å; T923-E1083 WeakPolarHBondContact CG2-OE2 3.49Å; T923-E1083 PolarHBondContact OG1-OE1 2.85Å
924A84.9Confident75.1Confident0 Ų040.3 Ų40.30%020%0.204CC..EExtended strand (participates in β ladder)trans-123.9133.8-177.200000110.4I803 C807 I1078 F1080 A1283I803-A924 HydrophobicContact CD1-CB 4.05Å; C807-A924 PolarHBondContact N-O 3.17Å; A924-I1078 HydrophobicContact CB-CG2 4.32Å; A924-F1080 HydrophobicContact CB-CD1 4.11Å; A924-F1080 HydrophobicContact CB-CE1 3.89Å; A924-A1283 HydrophobicContact CB-CB 4.03Å
925H84.6Confident76.8Confident13 Ų1334.8 Ų34.86%0.0617%0.168CC..EExtended strand (participates in β ladder)trans-136.1145.9-173.8-56.3-94.3000110.5A806 T923 I985 V1079A806-H925 WeakPolarHBondContact CB-ND1 3.36Å; T923-H925 PolarHBondContact OG1-NE2 3.27Å; T923-H925 VanDerWaalsContact OG1-NE2 3.12Å; H925-I985 HydrophobicContact CB-CD1 4.03Å; H925-V1079 HydrophobicContact CB-CB 4.42Å; H925-V1079 PolarHBondContact N-O 3.36Å; H925-V1079 PolarHBondContact O-N 3.26Å
926P85.8Confident77.9Confident43 Ų4331.3 Ų31.328%0.27916%0.158SC..EExtended strand (participates in β ladder)trans-66.2143.7174.730-37.3000111.2I804I804-P926 WeakPolarHBondContact O-CB 3.42Å; I804-P926 WeakPolarHBondContact O-CG 3.37Å
927M85.6Confident78.7Confident17 Ų1737.7 Ų37.78%0.08419%0.187CC..PPolyproline II helixtrans-93.7134.6178-168.8160.561.900111.9L931 L932 I935 P1004 I1006 G1077 V1079M927-L931 HydrophobicContact CG-CB 4.26Å; M927-L931 HydrophobicContact CG-CD2 4.06Å; M927-L931 HydrophobicContact CG-CG 4.28Å; M927-L931 HydrophobicContact SD-CD2 4.04Å; M927-L931 HydrophobicContact SD-CG 4.06Å; M927-L932 HydrophobicContact CE-CB 3.9Å; M927-L932 HydrophobicContact CE-CD1 3.67Å; M927-L932 HydrophobicContact CE-CG 4.39Å; M927-I935 HydrophobicContact CE-CD1 4.02Å; M927-I935 HydrophobicContact SD-CD1 3.78Å; M927-P1004 WeakPolarHBondContact CE-O 3.39Å; M927-I1006 HydrophobicContact SD-CD1 3.5Å; M927-I1006 VanDerWaalsContact SD-CD1 3.5Å; M927-I1006 HydrophobicContact SD-CG1 3.76Å; M927-G1077 WeakPolarHBondContact CB-O 3.48Å; M927-G1077 PolarHBondContact N-O 3.32Å; M927-V1079 HydrophobicContact CB-CG2 3.87Å; M927-V1079 HydrophobicContact CG-CG2 3.96Å; M927-V1079 HydrophobicContact SD-CG2 4.21Å
928P84.5Confident79.4Confident23 Ų2341.2 Ų41.215%0.14920%0.202CC..PPolyproline II helixtrans-59.6141.6173.6-25.534.8000113.5E930 L931 L932 L975 W987P928-E930 VanDerWaalsContact C-N 3.34Å; P928-E930 PolarHBondContact O-N 2.86Å; P928-L931 PolarHBondContact O-N 2.7Å; P928-L931 VanDerWaalsContact O-N 3.14Å; P928-L932 PolarHBondContact O-N 3.35Å; P928-L975 HydrophobicContact CB-CD2 3.72Å; P928-L975 HydrophobicContact CG-CD2 4.23Å; P928-W987 VanDerWaalsContact CD-CH2 3.4Å; P928-W987 HydrophobicContact CG-CH2 3.67Å; P928-W987 HydrophobicContact CG-CZ2 3.68Å; P928-W987 HydrophobicContact CG-CZ3 4.35Å
929C81.7Confident79.6Confident87 Ų8740.8 Ų40.859%0.58820%0.2SC*.Hα-helixtrans-60.6-36.8-176.5-62.20000113.5L931 L932 N933C929-L931 VanDerWaalsContact C-N 3.34Å; C929-L931 PolarHBondContact O-N 2.9Å; C929-L932 PolarHBondContact O-N 3.41Å; C929-N933 WeakPolarHBondContact O-CB 3.45Å; C929-N933 PolarHBondContact O-N 3.48Å; C929-N933 PolarHBondContact O-OD1 3.49Å
930E81.3Confident79.8Confident83 Ų8342 Ų4239%0.38821%0.21SC..Hα-helixtrans-66.1-36.9177.5-61.495.1144.100112.3P928 W934 L975 K978P928-E930 VanDerWaalsContact C-N 3.34Å; P928-E930 PolarHBondContact O-N 2.86Å; E930-W934 WeakPolarHBondContact O-CB 3.23Å; E930-W934 PolarHBondContact O-N 2.94Å; E930-W934 VanDerWaalsContact O-N 3.13Å; E930-L975 HydrophobicContact CB-CD2 4.34Å; E930-K978 WeakPolarHBondContact OE1-CD 3.37Å; E930-K978 IonicContact OE1-NZ 3.79Å; E930-K978 PolarHBondContact OE1-NZ 2.94Å
931L84.5Confident79.6Confident6 Ų644.5 Ų44.53%0.03123%0.228CC..Hα-helixtrans-70.8-40.7176.3-174.256.5000111.3M927 P928 C929 W934 I935 I971 L975 W987 I1006M927-L931 HydrophobicContact CG-CB 4.26Å; M927-L931 HydrophobicContact CG-CD2 4.06Å; M927-L931 HydrophobicContact CG-CG 4.28Å; M927-L931 HydrophobicContact SD-CD2 4.04Å; M927-L931 HydrophobicContact SD-CG 4.06Å; P928-L931 PolarHBondContact O-N 2.7Å; P928-L931 VanDerWaalsContact O-N 3.14Å; C929-L931 VanDerWaalsContact C-N 3.34Å; C929-L931 PolarHBondContact O-N 2.9Å; L931-W934 HydrophobicContact CD1-CE3 4.26Å; L931-W934 PolarHBondContact O-N 2.9Å; L931-I935 HydrophobicContact CD1-CD1 4.29Å; L931-I935 HydrophobicContact CG-CD1 4.04Å; L931-I935 VanDerWaalsContact O-CG1 3.31Å; L931-I935 WeakPolarHBondContact O-CG1 3.35Å; L931-I935 PolarHBondContact O-N 3.38Å; L931-I971 HydrophobicContact CD1-CG2 4.41Å; L931-L975 HydrophobicContact CB-CD1 4.04Å; L931-L975 HydrophobicContact CD2-CD1 4.43Å; L931-W987 HydrophobicContact CD2-CE3 4.45Å; L931-W987 HydrophobicContact CD2-CH2 4.48Å; L931-W987 HydrophobicContact CD2-CZ3 3.68Å; L931-I1006 HydrophobicContact CD2-CD1 3.7Å; L931-I1006 HydrophobicContact CG-CD1 4.28Å
932L84.9Confident79.5Confident18 Ų1843.3 Ų43.39%0.09422%0.224CC..Hα-helixtrans-57-55.3174.2175.462.4000111.4M927 P928 C929 W934 I935 E936 P1004 Y1076M927-L932 HydrophobicContact CE-CB 3.9Å; M927-L932 HydrophobicContact CE-CD1 3.67Å; M927-L932 HydrophobicContact CE-CG 4.39Å; P928-L932 PolarHBondContact O-N 3.35Å; C929-L932 PolarHBondContact O-N 3.41Å; L932-W934 VanDerWaalsContact C-N 3.25Å; L932-W934 PolarHBondContact O-N 2.91Å; L932-I935 PolarHBondContact O-N 3.03Å; L932-I935 VanDerWaalsContact O-N 3.07Å; L932-E936 HydrophobicContact CD1-CG 4.39Å; L932-E936 PolarHBondContact O-N 3.16Å; L932-P1004 HydrophobicContact CD1-CB 3.41Å; L932-P1004 VanDerWaalsContact CD1-CB 3.41Å; L932-Y1076 HydrophobicContact CD1-CE1 4.09Å; L932-Y1076 HydrophobicContact CD1-CE2 4.48Å; L932-Y1076 HydrophobicContact CD2-CD1 4.48Å; L932-Y1076 HydrophobicContact CD2-CE1 3.57Å; L932-Y1076 HydrophobicContact CG-CE1 4.41Å
933N82.7Confident79.3Confident85 Ų8543.3 Ų43.346%0.45522%0.224SC..Hα-helixtrans-59.1-37.4179.7-67.7-5.2000111.8C929 H937C929-N933 WeakPolarHBondContact O-CB 3.45Å; C929-N933 PolarHBondContact O-N 3.48Å; C929-N933 PolarHBondContact O-OD1 3.49Å; N933-H937 PolarHBondContact O-CD2 3.07Å; N933-H937 VanDerWaalsContact O-CD2 3.23Å; N933-H937 PolarHBondContact O-N 2.96Å; N933-H937 VanDerWaalsContact O-N 3.16Å
934W84.2Confident78.7Confident25 Ų2544.7 Ų44.710%0.09523%0.234CC..Hα-helixtrans-66.7-42175.2-178.578.8000112.7E930 L931 L932 E936 Y938 G939 F964 Q967 L968 I971E930-W934 WeakPolarHBondContact O-CB 3.23Å; E930-W934 PolarHBondContact O-N 2.94Å; E930-W934 VanDerWaalsContact O-N 3.13Å; L931-W934 HydrophobicContact CD1-CE3 4.26Å; L931-W934 PolarHBondContact O-N 2.9Å; L932-W934 VanDerWaalsContact C-N 3.25Å; L932-W934 PolarHBondContact O-N 2.91Å; W934-E936 VanDerWaalsContact C-N 3.35Å; W934-E936 PolarHBondContact O-N 2.79Å; W934-Y938 AromaticContact CD1-CD2 3.87Å; W934-Y938 WeakPolarHBondContact O-CA 3.32Å; W934-Y938 WeakPolarHBondContact O-CB 3.45Å; W934-Y938 PolarHBondContact O-N 3.47Å; W934-G939 PolarHBondContact O-N 2.96Å; W934-F964 HydrophobicContact CH2-CD2 4.13Å; W934-F964 AromaticContact CH2-CE2 3.67Å; W934-F964 HydrophobicContact CH2-CE2 3.67Å; W934-F964 HydrophobicContact CH2-CZ 4.32Å; W934-F964 HydrophobicContact CZ3-CE2 4.38Å; W934-Q967 HydrophobicContact CZ2-CB 4.38Å; W934-L968 HydrophobicContact CH2-CB 4.26Å; W934-L968 HydrophobicContact CH2-CD1 4.23Å; W934-L968 HydrophobicContact CZ3-CD1 4.15Å; W934-I971 HydrophobicContact CB-CD1 4.03Å; W934-I971 HydrophobicContact CD2-CD1 3.58Å; W934-I971 HydrophobicContact CE3-CD1 4.44Å; W934-I971 HydrophobicContact CG-CD1 3.33Å; W934-I971 HydrophobicContact CZ2-CD1 4.44Å
935I83.8Confident78Confident4 Ų448 Ų482%0.02125%0.249CC..Iπ-helixtrans-62.8-42177.8-72.5167000111.2M927 L931 L932 G939 S940 F997 G1003 I1006M927-I935 HydrophobicContact CE-CD1 4.02Å; M927-I935 HydrophobicContact SD-CD1 3.78Å; L931-I935 HydrophobicContact CD1-CD1 4.29Å; L931-I935 HydrophobicContact CG-CD1 4.04Å; L931-I935 VanDerWaalsContact O-CG1 3.31Å; L931-I935 WeakPolarHBondContact O-CG1 3.35Å; L931-I935 PolarHBondContact O-N 3.38Å; L932-I935 PolarHBondContact O-N 3.03Å; L932-I935 VanDerWaalsContact O-N 3.07Å; I935-G939 CarbonylContact O-C 3.38Å; I935-G939 PolarHBondContact O-N 3.08Å; I935-S940 PolarHBondContact O-N 3.31Å; I935-F997 HydrophobicContact CD1-CD1 4.06Å; I935-F997 HydrophobicContact CD1-CE1 3.79Å; I935-F997 HydrophobicContact CG1-CD1 4.37Å; I935-F997 HydrophobicContact CG1-CE1 4Å; I935-F997 HydrophobicContact CG2-CD1 4.38Å; I935-G1003 WeakPolarHBondContact CG2-O 3.42Å; I935-I1006 HydrophobicContact CD1-CD1 3.75Å; I935-I1006 HydrophobicContact CD1-CG1 3.92Å
936E76.8Confident77.5Confident71 Ų7147.5 Ų47.533%0.33225%0.247SC..Iπ-helixtrans-67.6-52.1-179.4-65.4-160.8134.700112.1L932 W934 S940 Y1076L932-E936 HydrophobicContact CD1-CG 4.39Å; L932-E936 PolarHBondContact O-N 3.16Å; W934-E936 VanDerWaalsContact C-N 3.35Å; W934-E936 PolarHBondContact O-N 2.79Å; E936-S940 PolarHBondContact O-OG 2.81Å; E936-Y1076 WeakPolarHBondContact OE1-CE2 3.41Å; E936-Y1076 PolarHBondContact OE1-OH 2.97Å
937H71.8Confident76.9Confident138 Ų13846 Ų4664%0.63924%0.237SC*.Iπ-helixtrans-80.3-39.6-174.3-65.6-57.5000114.6N933N933-H937 PolarHBondContact O-CD2 3.07Å; N933-H937 VanDerWaalsContact O-CD2 3.23Å; N933-H937 PolarHBondContact O-N 2.96Å; N933-H937 VanDerWaalsContact O-N 3.16Å
938Y71.8Confident76Confident152 Ų15253.1 Ų53.160%0.59626%0.263SS*.Iπ-helixtrans-115.1-44.6-171.4-64.3-81.9000112.7W934 S940 S941 K942W934-Y938 AromaticContact CD1-CD2 3.87Å; W934-Y938 WeakPolarHBondContact O-CA 3.32Å; W934-Y938 WeakPolarHBondContact O-CB 3.45Å; W934-Y938 PolarHBondContact O-N 3.47Å; Y938-S940 PolarHBondContact O-N 3.3Å; Y938-S941 PolarHBondContact O-N 2.83Å; Y938-K942 PolarHBondContact O-N 2.94Å; Y938-K942 VanDerWaalsContact O-N 3.07Å
939G67.9Low75.3Confident2 Ų252.5 Ų52.52%0.02126%0.259CS..Iπ-helixtrans-60.9-45.8-177.100000112.4W934 I935 S941 K942 V943W934-G939 PolarHBondContact O-N 2.96Å; I935-G939 CarbonylContact O-C 3.38Å; I935-G939 PolarHBondContact O-N 3.08Å; G939-S941 VanDerWaalsContact C-N 3.31Å; G939-S941 PolarHBondContact O-N 2.94Å; G939-K942 PolarHBondContact O-N 2.89Å; G939-V943 WeakPolarHBondContact O-CB 3.37Å; G939-V943 WeakPolarHBondContact O-CG2 3.28Å; G939-V943 PolarHBondContact O-N 2.88Å
940S70.2Confident74.7Confident42 Ų4252.6 Ų52.629%0.29425%0.25SS..Hα-helixtrans-52.8-44.7178.7630000113.1I935 E936 Y938 S944 T1002I935-S940 PolarHBondContact O-N 3.31Å; E936-S940 PolarHBondContact O-OG 2.81Å; Y938-S940 PolarHBondContact O-N 3.3Å; S940-S944 WeakPolarHBondContact O-CB 3.42Å; S940-S944 PolarHBondContact O-N 2.95Å; S940-S944 PolarHBondContact O-OG 3.38Å; S940-T1002 WeakPolarHBondContact O-CG2 3.46Å
941S67.4Low74Confident54 Ų5455.8 Ų55.838%0.37826%0.263SS..Hα-helixtrans-73.2-53.5178.5-172.30000112Y938 G939 V943 S944 Q945Y938-S941 PolarHBondContact O-N 2.83Å; G939-S941 VanDerWaalsContact C-N 3.31Å; G939-S941 PolarHBondContact O-N 2.94Å; S941-V943 PolarHBondContact O-N 2.81Å; S941-S944 WeakPolarHBondContact O-CB 3.36Å; S941-S944 PolarHBondContact O-N 3.36Å; S941-S944 VanDerWaalsContact O-N 3.17Å; S941-Q945 WeakPolarHBondContact O-CG 3.33Å; S941-Q945 PolarHBondContact O-N 2.72Å
942K72.7Confident72.9Confident44 Ų4458.7 Ų58.719%0.19128%0.283CS..Hα-helixtrans-63.9-38.7-179.2-79.3-154.9169.7-164.80112.9Y938 G939 Q945 L946 E963Y938-K942 PolarHBondContact O-N 2.94Å; Y938-K942 VanDerWaalsContact O-N 3.07Å; G939-K942 PolarHBondContact O-N 2.89Å; K942-Q945 WeakPolarHBondContact O-CB 3.37Å; K942-Q945 PolarHBondContact O-N 3.21Å; K942-L946 WeakPolarHBondContact O-CB 3.5Å; K942-L946 WeakPolarHBondContact O-CG 3.4Å; K942-L946 PolarHBondContact O-N 3.42Å; K942-E963 IonicContact NZ-OE2 3.1Å; K942-E963 PolarHBondContact NZ-OE2 3.19Å
943V75.1Confident71.9Confident1 Ų165.8 Ų65.81%0.00631%0.314CS..Hα-helixtrans-65.7-39.4174.9173.30000110.8G939 S941 Q945 L946 I947 F964 F997 Q1001 T1002 W1022G939-V943 WeakPolarHBondContact O-CB 3.37Å; G939-V943 WeakPolarHBondContact O-CG2 3.28Å; G939-V943 PolarHBondContact O-N 2.88Å; S941-V943 PolarHBondContact O-N 2.81Å; V943-Q945 VanDerWaalsContact C-N 3.33Å; V943-Q945 PolarHBondContact O-N 3.45Å; V943-L946 PolarHBondContact O-N 3.22Å; V943-I947 HydrophobicContact CG1-CD1 3.64Å; V943-I947 HydrophobicContact CG1-CG1 4.25Å; V943-I947 WeakPolarHBondContact O-CB 3.11Å; V943-I947 VanDerWaalsContact O-CG1 3.23Å; V943-I947 WeakPolarHBondContact O-CG1 3.4Å; V943-I947 PolarHBondContact O-N 3.47Å; V943-F964 HydrophobicContact CG2-CE2 3.71Å; V943-F964 HydrophobicContact CG2-CZ 4.13Å; V943-F997 HydrophobicContact CG1-CD2 4.06Å; V943-F997 HydrophobicContact CG2-CD2 3.81Å; V943-F997 HydrophobicContact CG2-CE2 3.55Å; V943-F997 HydrophobicContact CG2-CZ 4.41Å; V943-Q1001 WeakPolarHBondContact CG1-O 3.44Å; V943-T1002 HydrophobicContact CB-CG2 4.27Å; V943-T1002 HydrophobicContact CG1-CG2 4.09Å; V943-W1022 HydrophobicContact CG1-CE3 4.48Å; V943-W1022 HydrophobicContact CG1-CZ3 4.45Å
944S69.8Low71Confident31 Ų3162.5 Ų62.522%0.21730%0.299CS..Hα-helixtrans-60.7-42172.3-64.30000112.1S940 S941 R948S940-S944 WeakPolarHBondContact O-CB 3.42Å; S940-S944 PolarHBondContact O-N 2.95Å; S940-S944 PolarHBondContact O-OG 3.38Å; S941-S944 WeakPolarHBondContact O-CB 3.36Å; S941-S944 PolarHBondContact O-N 3.36Å; S941-S944 VanDerWaalsContact O-N 3.17Å; S944-R948 WeakPolarHBondContact O-CB 3.09Å; S944-R948 WeakPolarHBondContact O-CD 3.23Å; S944-R948 WeakPolarHBondContact O-CG 3.38Å; S944-R948 PolarHBondContact O-N 3.1Å
945Q71.2Confident70.2Confident68 Ų6868.7 Ų68.732%0.31833%0.333SS..Hα-helixtrans-64.6-45.9175.7-67.8171.1-1.400111.7S941 K942 V943 R948 A949S941-Q945 WeakPolarHBondContact O-CG 3.33Å; S941-Q945 PolarHBondContact O-N 2.72Å; K942-Q945 WeakPolarHBondContact O-CB 3.37Å; K942-Q945 PolarHBondContact O-N 3.21Å; V943-Q945 VanDerWaalsContact C-N 3.33Å; V943-Q945 PolarHBondContact O-N 3.45Å; Q945-R948 PolarHBondContact O-N 3.02Å; Q945-A949 WeakPolarHBondContact O-CB 3.38Å; Q945-A949 PolarHBondContact O-N 3.25Å
946L74.4Confident69.5Low3 Ų372.7 Ų72.72%0.01635%0.354CS..Hα-helixtrans-59.5-45.9175.6-77.3166.5000112.6K942 V943 R948 A949 F950 L960 L961 F964 W1022K942-L946 WeakPolarHBondContact O-CB 3.5Å; K942-L946 WeakPolarHBondContact O-CG 3.4Å; K942-L946 PolarHBondContact O-N 3.42Å; V943-L946 PolarHBondContact O-N 3.22Å; L946-R948 VanDerWaalsContact C-N 3.32Å; L946-R948 PolarHBondContact O-N 3.3Å; L946-A949 PolarHBondContact O-N 3.4Å; L946-F950 WeakPolarHBondContact O-CB 3.49Å; L946-F950 PolarHBondContact O-N 2.93Å; L946-L960 HydrophobicContact CD2-CB 3.7Å; L946-L961 HydrophobicContact CD2-CB 4.33Å; L946-F964 HydrophobicContact CD1-CB 3.79Å; L946-F964 HydrophobicContact CD1-CD1 4.08Å; L946-F964 HydrophobicContact CD1-CD2 3.74Å; L946-F964 HydrophobicContact CD1-CE2 4.34Å; L946-F964 HydrophobicContact CD1-CG 3.59Å; L946-W1022 HydrophobicContact CB-CB 4.38Å
947I71.9Confident69.4Low13 Ų1371.1 Ų71.17%0.06735%0.345CS..Hα-helixtrans-63.8-38.4177.7-69.2169.2000110.7V943 K951 Q1001 V1021V943-I947 HydrophobicContact CG1-CD1 3.64Å; V943-I947 HydrophobicContact CG1-CG1 4.25Å; V943-I947 WeakPolarHBondContact O-CB 3.11Å; V943-I947 VanDerWaalsContact O-CG1 3.23Å; V943-I947 WeakPolarHBondContact O-CG1 3.4Å; V943-I947 PolarHBondContact O-N 3.47Å; I947-K951 HydrophobicContact CG2-CD 3.93Å; I947-K951 VanDerWaalsContact O-CB 3.31Å; I947-K951 WeakPolarHBondContact O-CB 3Å; I947-K951 VanDerWaalsContact O-CG 3.24Å; I947-K951 WeakPolarHBondContact O-CG 3.45Å; I947-K951 PolarHBondContact O-N 2.98Å; I947-Q1001 HydrophobicContact CD1-CB 3.79Å; I947-V1021 HydrophobicContact CD1-CG1 3.91Å; I947-V1021 HydrophobicContact CG1-CG1 4.16Å
948R67.6Low69.6Low165 Ų16569.2 Ų69.262%0.62334%0.344SS*.Hα-helixtrans-65.1-51173.7-71.5167.7-164.8154.34.5111.1S944 Q945 L946 F950 K951 S952S944-R948 WeakPolarHBondContact O-CB 3.09Å; S944-R948 WeakPolarHBondContact O-CD 3.23Å; S944-R948 WeakPolarHBondContact O-CG 3.38Å; S944-R948 PolarHBondContact O-N 3.1Å; Q945-R948 PolarHBondContact O-N 3.02Å; L946-R948 VanDerWaalsContact C-N 3.32Å; L946-R948 PolarHBondContact O-N 3.3Å; R948-F950 VanDerWaalsContact C-N 3.33Å; R948-F950 PolarHBondContact O-N 2.83Å; R948-K951 PolarHBondContact O-N 3.09Å; R948-S952 WeakPolarHBondContact O-CB 3.38Å; R948-S952 PolarHBondContact O-N 2.92Å; R948-S952 PolarHBondContact O-OG 3.28Å; R948-S952 VanDerWaalsContact O-OG 3.13Å
949A68.7Low70Confident10 Ų1067.4 Ų67.48%0.08334%0.339CS..Hα-helixtrans-58.8-41.9-179.900000112.3Q945 L946 S952 K953 A954 L960Q945-A949 WeakPolarHBondContact O-CB 3.38Å; Q945-A949 PolarHBondContact O-N 3.25Å; L946-A949 PolarHBondContact O-N 3.4Å; A949-S952 PolarHBondContact O-N 2.95Å; A949-S952 PolarHBondContact O-OG 3.16Å; A949-K953 PolarHBondContact O-N 3.07Å; A949-K953 VanDerWaalsContact O-N 3.16Å; A949-A954 HydrophobicContact CB-CB 4.18Å; A949-A954 PolarHBondContact O-N 3.5Å; A949-L960 HydrophobicContact CB-CD1 4.19Å
950F70.4Confident70.3Confident90 Ų9069.3 Ų69.340%0.39535%0.348SS..Hα-helixtrans-64.5-49.1173.9178.9-117.3000112L946 R948 S952 K953 Y957 W1022 G1023L946-F950 WeakPolarHBondContact O-CB 3.49Å; L946-F950 PolarHBondContact O-N 2.93Å; R948-F950 VanDerWaalsContact C-N 3.33Å; R948-F950 PolarHBondContact O-N 2.83Å; F950-S952 PolarHBondContact O-N 3.49Å; F950-K953 PolarHBondContact O-N 3.29Å; F950-K953 VanDerWaalsContact O-N 3.15Å; F950-Y957 HydrophobicContact CB-CD2 3.99Å; F950-Y957 HydrophobicContact CB-CE2 3.88Å; F950-Y957 HydrophobicContact CD2-CE2 4.21Å; F950-Y957 HydrophobicContact CG-CE2 4.4Å; F950-W1022 WeakPolarHBondContact CB-O 3.37Å; F950-W1022 WeakPolarHBondContact CD2-O 3.24Å; F950-W1022 WeakPolarHBondContact CG-O 3.44Å; F950-G1023 VanDerWaalsContact CZ-CA 3.41Å
951K65.1Low70.9Confident149 Ų14968.5 Ų68.565%0.64834%0.34SS*.Hα-helixtrans-62.8-26.8178-75.6174.4-178.5171.10113.1I947 R948I947-K951 HydrophobicContact CG2-CD 3.93Å; I947-K951 VanDerWaalsContact O-CB 3.31Å; I947-K951 WeakPolarHBondContact O-CB 3Å; I947-K951 VanDerWaalsContact O-CG 3.24Å; I947-K951 WeakPolarHBondContact O-CG 3.45Å; I947-K951 PolarHBondContact O-N 2.98Å; R948-K951 PolarHBondContact O-N 3.09Å
952S62.8Low71.5Confident67 Ų6769.1 Ų69.147%0.46935%0.345SS..THydrogen-bonded Turntrans-96.56.5177.370.90000114.7R948 A949 F950 A954R948-S952 WeakPolarHBondContact O-CB 3.38Å; R948-S952 PolarHBondContact O-N 2.92Å; R948-S952 PolarHBondContact O-OG 3.28Å; R948-S952 VanDerWaalsContact O-OG 3.13Å; A949-S952 PolarHBondContact O-N 2.95Å; A949-S952 PolarHBondContact O-OG 3.16Å; F950-S952 PolarHBondContact O-N 3.49Å; S952-A954 PolarHBondContact O-N 2.87Å
953K64.2Low71.9Confident167 Ų16769.6 Ų69.673%0.72635%0.348SS*.THydrogen-bonded Turntrans49.435.5-173.2-58.3-179.4-178.7174.70113.5A949 F950 D1228A949-K953 PolarHBondContact O-N 3.07Å; A949-K953 VanDerWaalsContact O-N 3.16Å; F950-K953 PolarHBondContact O-N 3.29Å; F950-K953 VanDerWaalsContact O-N 3.15Å; K953-D1228 IonicContact NZ-OD2 3.92Å; K953-D1228 PolarHBondContact NZ-OD2 3.26Å; K953-D1228 VanDerWaalsContact NZ-OD2 3.07Å
954A62.6Low72.2Confident17 Ų1769.8 Ų69.814%0.1435%0.348CS..  trans-69.3140.6-173.300000112.9A949 S952 N956 Y957A949-A954 HydrophobicContact CB-CB 4.18Å; A949-A954 PolarHBondContact O-N 3.5Å; S952-A954 PolarHBondContact O-N 2.87Å; A954-N956 PolarHBondContact O-N 3.18Å; A954-Y957 WeakPolarHBondContact O-CB 3.35Å; A954-Y957 PolarHBondContact O-N 2.85Å; A954-Y957 VanDerWaalsContact O-N 3.08Å
955L68.3Low72.8Confident155 Ų15571 Ų7181%0.81235%0.351SS*.THydrogen-bonded Turntrans-57.5-36178.9-73.5160000112.6Y957L955-Y957 PolarHBondContact O-N 3.11Å
956N69.3Low73.3Confident88 Ų8873.6 Ų73.647%0.47136%0.363SS..THydrogen-bonded Turntrans-70.8-6.6-179.6-66.1-1.2000114.3A954 T958 K959 L960A954-N956 PolarHBondContact O-N 3.18Å; N956-T958 VanDerWaalsContact C-N 3.29Å; N956-T958 PolarHBondContact O-N 3.11Å; N956-K959 PolarHBondContact O-N 2.83Å; N956-L960 HydrophobicContact CB-CD1 4.48Å; N956-L960 WeakPolarHBondContact O-CG 3.46Å; N956-L960 PolarHBondContact O-N 2.78Å
957Y73.9Confident73.6Confident38 Ų3877.1 Ų77.115%0.14938%0.379CS..Hα-helixtrans-54.8-42-177.8167.1-98.5000112.7F950 A954 L955 L961 W1022F950-Y957 HydrophobicContact CB-CD2 3.99Å; F950-Y957 HydrophobicContact CB-CE2 3.88Å; F950-Y957 HydrophobicContact CD2-CE2 4.21Å; F950-Y957 HydrophobicContact CG-CE2 4.4Å; A954-Y957 WeakPolarHBondContact O-CB 3.35Å; A954-Y957 PolarHBondContact O-N 2.85Å; A954-Y957 VanDerWaalsContact O-N 3.08Å; L955-Y957 PolarHBondContact O-N 3.11Å; Y957-L961 HydrophobicContact CE1-CD2 4.17Å; Y957-L961 VanDerWaalsContact O-CB 3.25Å; Y957-L961 WeakPolarHBondContact O-CB 3.37Å; Y957-L961 PolarHBondContact O-N 3.14Å; Y957-W1022 WeakPolarHBondContact CE2-O 3.37Å; Y957-W1022 VanDerWaalsContact CZ-O 3.31Å; Y957-W1022 PolarHBondContact OH-O 3.24Å
958T76.5Confident74.1Confident98 Ų9876.9 Ų76.960%0.60138%0.378SS*.Hα-helixtrans-66.6-41.9-179.651.10000112.4N956 L961 S962N956-T958 VanDerWaalsContact C-N 3.29Å; N956-T958 PolarHBondContact O-N 3.11Å; T958-L961 PolarHBondContact O-N 3.26Å; T958-S962 PolarHBondContact O-N 3.16Å; T958-S962 PolarHBondContact O-OG 3.39Å
959K79.3Confident74.7Confident113 Ų11370.9 Ų70.949%0.49136%0.362SS..Hα-helixtrans-62.4-53.2175.4-171-168.5178.2-156.80110.7N956 L961 S962 E963N956-K959 PolarHBondContact O-N 2.83Å; K959-L961 PolarHBondContact O-N 3.06Å; K959-S962 PolarHBondContact O-N 2.92Å; K959-S962 PolarHBondContact O-OG 2.74Å; K959-E963 WeakPolarHBondContact CE-OE1 3.5Å; K959-E963 IonicContact NZ-OE1 3.64Å; K959-E963 PolarHBondContact O-N 2.9Å
960L75.8Confident75.4Confident42 Ų4274.6 Ų74.622%0.2238%0.38CS..Hα-helixtrans-57.8-38.2178.5-69.8171.3000112.1L946 A949 N956 F964L946-L960 HydrophobicContact CD2-CB 3.7Å; A949-L960 HydrophobicContact CB-CD1 4.19Å; N956-L960 HydrophobicContact CB-CD1 4.48Å; N956-L960 WeakPolarHBondContact O-CG 3.46Å; N956-L960 PolarHBondContact O-N 2.78Å; L960-F964 VanDerWaalsContact O-CB 3.3Å; L960-F964 WeakPolarHBondContact O-CB 3.2Å; L960-F964 PolarHBondContact O-N 2.9Å
961L81.1Confident75.8Confident25 Ų2571.6 Ų71.613%0.13137%0.368CS..Hα-helixtrans-65.3-44.5175.6-17667.3000111.4L946 Y957 T958 K959 F964 E965L946-L961 HydrophobicContact CD2-CB 4.33Å; Y957-L961 HydrophobicContact CE1-CD2 4.17Å; Y957-L961 VanDerWaalsContact O-CB 3.25Å; Y957-L961 WeakPolarHBondContact O-CB 3.37Å; Y957-L961 PolarHBondContact O-N 3.14Å; T958-L961 PolarHBondContact O-N 3.26Å; K959-L961 PolarHBondContact O-N 3.06Å; L961-F964 PolarHBondContact O-N 3.14Å; L961-E965 HydrophobicContact CD1-CG 4.46Å; L961-E965 WeakPolarHBondContact CD1-OE1 3.33Å; L961-E965 WeakPolarHBondContact O-CB 3.39Å; L961-E965 WeakPolarHBondContact O-CG 3.41Å; L961-E965 PolarHBondContact O-N 3.31Å
962S80.6Confident76.4Confident67 Ų6764.6 Ų64.647%0.46934%0.338SS..Hα-helixtrans-63.2-41.5176.662.80000113.1T958 K959 E965 Q966T958-S962 PolarHBondContact O-N 3.16Å; T958-S962 PolarHBondContact O-OG 3.39Å; K959-S962 PolarHBondContact O-N 2.92Å; K959-S962 PolarHBondContact O-OG 2.74Å; S962-E965 PolarHBondContact O-N 2.84Å; S962-Q966 WeakPolarHBondContact O-CB 3.38Å; S962-Q966 PolarHBondContact O-N 3.22Å
963E81.3Confident77.1Confident55 Ų5564.9 Ų64.926%0.25734%0.339SS..Hα-helixtrans-63.5-42.4175.5-71.3176.3-15700111.8K942 K959 Q966 Q967K942-E963 IonicContact NZ-OE2 3.1Å; K942-E963 PolarHBondContact NZ-OE2 3.19Å; K959-E963 WeakPolarHBondContact CE-OE1 3.5Å; K959-E963 IonicContact NZ-OE1 3.64Å; K959-E963 PolarHBondContact O-N 2.9Å; E963-Q966 PolarHBondContact O-N 2.8Å; E963-Q967 WeakPolarHBondContact O-CB 3.5Å; E963-Q967 WeakPolarHBondContact O-CG 3.33Å; E963-Q967 PolarHBondContact O-N 2.92Å
964F82.1Confident77.7Confident4 Ų462.8 Ų62.82%0.01833%0.331CS..Hα-helixtrans-64.3-45177.2174.1-93.9000111.5W934 V943 L946 L960 L961 Q967 L968 L994 F997 W1022W934-F964 HydrophobicContact CH2-CD2 4.13Å; W934-F964 AromaticContact CH2-CE2 3.67Å; W934-F964 HydrophobicContact CH2-CE2 3.67Å; W934-F964 HydrophobicContact CH2-CZ 4.32Å; W934-F964 HydrophobicContact CZ3-CE2 4.38Å; V943-F964 HydrophobicContact CG2-CE2 3.71Å; V943-F964 HydrophobicContact CG2-CZ 4.13Å; L946-F964 HydrophobicContact CD1-CB 3.79Å; L946-F964 HydrophobicContact CD1-CD1 4.08Å; L946-F964 HydrophobicContact CD1-CD2 3.74Å; L946-F964 HydrophobicContact CD1-CE2 4.34Å; L946-F964 HydrophobicContact CD1-CG 3.59Å; L960-F964 VanDerWaalsContact O-CB 3.3Å; L960-F964 WeakPolarHBondContact O-CB 3.2Å; L960-F964 PolarHBondContact O-N 2.9Å; L961-F964 PolarHBondContact O-N 3.14Å; F964-Q967 PolarHBondContact O-N 2.77Å; F964-L968 HydrophobicContact CE1-CD1 4Å; F964-L968 HydrophobicContact CZ-CD1 3.84Å; F964-L968 VanDerWaalsContact O-CB 3.23Å; F964-L968 WeakPolarHBondContact O-CB 3.5Å; F964-L968 PolarHBondContact O-N 2.95Å; F964-L994 HydrophobicContact CE1-CD2 4.24Å; F964-L994 HydrophobicContact CZ-CD2 4.3Å; F964-F997 AromaticContact CZ-CE2 4Å; F964-F997 HydrophobicContact CZ-CE2 4Å; F964-F997 HydrophobicContact CZ-CZ 4.05Å; F964-W1022 HydrophobicContact CE1-CZ2 4.29Å
965E81.1Confident78.2Confident56 Ų5662.1 Ų62.126%0.26233%0.326SS..Hα-helixtrans-65.5-39.1177.2-72.8-175.9-16300112L961 S962 S969 K1024L961-E965 HydrophobicContact CD1-CG 4.46Å; L961-E965 WeakPolarHBondContact CD1-OE1 3.33Å; L961-E965 WeakPolarHBondContact O-CB 3.39Å; L961-E965 WeakPolarHBondContact O-CG 3.41Å; L961-E965 PolarHBondContact O-N 3.31Å; S962-E965 PolarHBondContact O-N 2.84Å; E965-S969 VanDerWaalsContact O-CB 3.28Å; E965-S969 WeakPolarHBondContact O-CB 3.48Å; E965-S969 PolarHBondContact O-N 2.94Å; E965-S969 PolarHBondContact O-OG 2.92Å; E965-K1024 WeakPolarHBondContact OE1-CD 3.1Å; E965-K1024 WeakPolarHBondContact OE1-CE 3.25Å; E965-K1024 IonicContact OE1-NZ 3.61Å; E965-K1024 PolarHBondContact OE1-NZ 3.21Å; E965-K1024 IonicContact OE2-NZ 3.19Å; E965-K1024 PolarHBondContact OE2-NZ 3.38Å
966Q82.7Confident78.4Confident123 Ų12357.6 Ų57.658%0.57530%0.304SS*.Hα-helixtrans-64.2-49.7175.1-171.9-177.99.600111.4S962 E963 L968 S969 N970S962-Q966 WeakPolarHBondContact O-CB 3.38Å; S962-Q966 PolarHBondContact O-N 3.22Å; E963-Q966 PolarHBondContact O-N 2.8Å; Q966-L968 PolarHBondContact O-N 3.03Å; Q966-S969 PolarHBondContact O-N 3.27Å; Q966-S969 PolarHBondContact O-OG 2.85Å; Q966-N970 VanDerWaalsContact O-CG 3.25Å; Q966-N970 PolarHBondContact O-N 3.37Å; Q966-N970 PolarHBondContact O-OD1 3.48Å
967Q81.4Confident78.4Confident78 Ų7858.2 Ų58.236%0.36432%0.316SS..Hα-helixtrans-62.4-42.5178.4-74.1-175.9-31.100112.1W934 E963 F964 N970 I971W934-Q967 HydrophobicContact CZ2-CB 4.38Å; E963-Q967 WeakPolarHBondContact O-CB 3.5Å; E963-Q967 WeakPolarHBondContact O-CG 3.33Å; E963-Q967 PolarHBondContact O-N 2.92Å; F964-Q967 PolarHBondContact O-N 2.77Å; Q967-N970 PolarHBondContact O-N 2.91Å; Q967-I971 WeakPolarHBondContact O-CG1 3.26Å; Q967-I971 PolarHBondContact O-N 3.41Å
968L81.2Confident78Confident8 Ų862.4 Ų62.44%0.04234%0.335CS..Hα-helixtrans-65.6-41175.6-167.8148.3000111.2W934 F964 Q966 N970 I971 C972 T991 L994W934-L968 HydrophobicContact CH2-CB 4.26Å; W934-L968 HydrophobicContact CH2-CD1 4.23Å; W934-L968 HydrophobicContact CZ3-CD1 4.15Å; F964-L968 HydrophobicContact CE1-CD1 4Å; F964-L968 HydrophobicContact CZ-CD1 3.84Å; F964-L968 VanDerWaalsContact O-CB 3.23Å; F964-L968 WeakPolarHBondContact O-CB 3.5Å; F964-L968 PolarHBondContact O-N 2.95Å; Q966-L968 PolarHBondContact O-N 3.03Å; L968-N970 VanDerWaalsContact C-N 3.35Å; L968-N970 PolarHBondContact O-N 3.49Å; L968-I971 PolarHBondContact O-N 3.07Å; L968-C972 WeakPolarHBondContact O-CB 3.31Å; L968-C972 PolarHBondContact O-N 2.96Å; L968-C972 PolarHBondContact O-SG 2.96Å; L968-C972 VanDerWaalsContact O-SG 3.37Å; L968-T991 HydrophobicContact CD2-CG2 3.58Å; L968-L994 HydrophobicContact CD1-CD2 3.85Å
969S81.3Confident77.1Confident39 Ų3959.8 Ų59.827%0.27332%0.32SS..Hα-helixtrans-62.9-39175.774.70000112.7E965 Q966 I971 C972 C973E965-S969 VanDerWaalsContact O-CB 3.28Å; E965-S969 WeakPolarHBondContact O-CB 3.48Å; E965-S969 PolarHBondContact O-N 2.94Å; E965-S969 PolarHBondContact O-OG 2.92Å; Q966-S969 PolarHBondContact O-N 3.27Å; Q966-S969 PolarHBondContact O-OG 2.85Å; S969-I971 VanDerWaalsContact C-N 3.32Å; S969-I971 PolarHBondContact O-N 2.97Å; S969-C972 PolarHBondContact O-N 3.32Å; S969-C973 WeakPolarHBondContact O-CB 3.48Å; S969-C973 PolarHBondContact O-N 2.7Å; S969-C973 PolarHBondContact O-SG 3.5Å
970N82.8Confident75.7Confident87 Ų8760 Ų6047%0.46533%0.331SS..Hα-helixtrans-61.4-43178.2-71.6-14.5000110.9Q966 Q967 L968 Q974Q966-N970 VanDerWaalsContact O-CG 3.25Å; Q966-N970 PolarHBondContact O-N 3.37Å; Q966-N970 PolarHBondContact O-OD1 3.48Å; Q967-N970 PolarHBondContact O-N 2.91Å; L968-N970 VanDerWaalsContact C-N 3.35Å; L968-N970 PolarHBondContact O-N 3.49Å; N970-Q974 WeakPolarHBondContact O-CG 3.41Å; N970-Q974 PolarHBondContact O-N 3.13Å; N970-Q974 VanDerWaalsContact O-N 3.1Å
971I79.7Confident74.4Confident27 Ų2764.3 Ų64.314%0.13837%0.365CS..Hα-helixtrans-71.2-44178.4-65166.7000110.8L931 W934 Q967 L968 S969 C973 Q974 L975L931-I971 HydrophobicContact CD1-CG2 4.41Å; W934-I971 HydrophobicContact CB-CD1 4.03Å; W934-I971 HydrophobicContact CD2-CD1 3.58Å; W934-I971 HydrophobicContact CE3-CD1 4.44Å; W934-I971 HydrophobicContact CG-CD1 3.33Å; W934-I971 HydrophobicContact CZ2-CD1 4.44Å; Q967-I971 WeakPolarHBondContact O-CG1 3.26Å; Q967-I971 PolarHBondContact O-N 3.41Å; L968-I971 PolarHBondContact O-N 3.07Å; S969-I971 VanDerWaalsContact C-N 3.32Å; S969-I971 PolarHBondContact O-N 2.97Å; I971-C973 VanDerWaalsContact C-N 3.29Å; I971-C973 PolarHBondContact O-N 3.05Å; I971-Q974 CarbonylContact O-C 3.58Å; I971-Q974 WeakPolarHBondContact O-CB 3.46Å; I971-Q974 PolarHBondContact O-N 3.37Å; I971-Q974 VanDerWaalsContact O-N 3.09Å; I971-L975 HydrophobicContact CG2-CD1 4.03Å; I971-L975 HydrophobicContact CG2-CG 4.45Å; I971-L975 WeakPolarHBondContact O-CG 3.14Å; I971-L975 PolarHBondContact O-N 2.88Å
972C76.7Confident72.7Confident3 Ų367.6 Ų67.62%0.0240%0.395CS..Hα-helixtrans-59.1-39.4174.6-730000112.1L968 S969 L975 T976 W987L968-C972 WeakPolarHBondContact O-CB 3.31Å; L968-C972 PolarHBondContact O-N 2.96Å; L968-C972 PolarHBondContact O-SG 2.96Å; L968-C972 VanDerWaalsContact O-SG 3.37Å; S969-C972 PolarHBondContact O-N 3.32Å; C972-L975 PolarHBondContact O-N 3.45Å; C972-T976 PolarHBondContact O-N 3.47Å; C972-T976 PolarHBondContact O-OG1 3.24Å; C972-W987 HydrophobicContact CB-CB 4.46Å; C972-W987 WeakPolarHBondContact CB-O 3.43Å
973C76.5Confident71.2Confident73 Ų7367.8 Ų67.849%0.49340%0.396SS..Hα-helixtrans-64.2-38.3173.2-72.70000112.8S969 I971 L975 S977S969-C973 WeakPolarHBondContact O-CB 3.48Å; S969-C973 PolarHBondContact O-N 2.7Å; S969-C973 PolarHBondContact O-SG 3.5Å; I971-C973 VanDerWaalsContact C-N 3.29Å; I971-C973 PolarHBondContact O-N 3.05Å; C973-L975 VanDerWaalsContact C-N 3.32Å; C973-S977 PolarHBondContact O-N 3.37Å
974Q77.5Confident70.1Confident122 Ų12268.7 Ų68.757%0.5741%0.412SS*.Hα-helixtrans-68.3-29173.2-70.8174.77.900113N970 I971 S977N970-Q974 WeakPolarHBondContact O-CG 3.41Å; N970-Q974 PolarHBondContact O-N 3.13Å; N970-Q974 VanDerWaalsContact O-N 3.1Å; I971-Q974 CarbonylContact O-C 3.58Å; I971-Q974 WeakPolarHBondContact O-CB 3.46Å; I971-Q974 PolarHBondContact O-N 3.37Å; I971-Q974 VanDerWaalsContact O-N 3.09Å; Q974-S977 PolarHBondContact O-OG 3.35Å; Q974-S977 VanDerWaalsContact O-OG 3.06Å
975L74.2Confident69.3Low3 Ų369.1 Ų69.12%0.01642%0.415CS..Hα-helixtrans-76.4-41.2174.5-69.6167.6000111.4P928 E930 L931 I971 C972 C973 S977 K978 C979 W987P928-L975 HydrophobicContact CB-CD2 3.72Å; P928-L975 HydrophobicContact CG-CD2 4.23Å; E930-L975 HydrophobicContact CB-CD2 4.34Å; L931-L975 HydrophobicContact CB-CD1 4.04Å; L931-L975 HydrophobicContact CD2-CD1 4.43Å; I971-L975 HydrophobicContact CG2-CD1 4.03Å; I971-L975 HydrophobicContact CG2-CG 4.45Å; I971-L975 WeakPolarHBondContact O-CG 3.14Å; I971-L975 PolarHBondContact O-N 2.88Å; C972-L975 PolarHBondContact O-N 3.45Å; C973-L975 VanDerWaalsContact C-N 3.32Å; L975-S977 PolarHBondContact O-N 3.41Å; L975-S977 VanDerWaalsContact O-N 3.16Å; L975-K978 PolarHBondContact O-N 3.46Å; L975-C979 WeakPolarHBondContact O-CB 3.46Å; L975-C979 PolarHBondContact O-N 2.83Å; L975-C979 PolarHBondContact O-SG 2.77Å; L975-C979 VanDerWaalsContact O-SG 3.38Å; L975-W987 HydrophobicContact CB-CG 4.42Å; L975-W987 HydrophobicContact CD1-CE3 4.18Å
976T71.5Confident68.7Low60 Ų6071.8 Ų71.837%0.36843%0.431SS..Hα-helixtrans-56.5-31.5176.9-61.10000112.8C972 N988C972-T976 PolarHBondContact O-N 3.47Å; C972-T976 PolarHBondContact O-OG1 3.24Å; T976-N988 PolarHBondContact OG1-OD1 3Å
977S69Low68.3Low101 Ų10166.6 Ų66.671%0.70641%0.406SS*.Hα-helixtrans-81.4-21176.362.60000114.5C973 Q974 L975C973-S977 PolarHBondContact O-N 3.37Å; Q974-S977 PolarHBondContact O-OG 3.35Å; Q974-S977 VanDerWaalsContact O-OG 3.06Å; L975-S977 PolarHBondContact O-N 3.41Å; L975-S977 VanDerWaalsContact O-N 3.16Å
978K65Low67.5Low126 Ų12667.3 Ų67.355%0.54841%0.413SS..Hα-helixtrans-94.3-31.7178.4-72.1179.2172.2179.80113.7E930 L975 T980E930-K978 WeakPolarHBondContact OE1-CD 3.37Å; E930-K978 IonicContact OE1-NZ 3.79Å; E930-K978 PolarHBondContact OE1-NZ 2.94Å; L975-K978 PolarHBondContact O-N 3.46Å; K978-T980 PolarHBondContact O-N 2.86Å
979C58.1Low66.9Low43 Ų4372.1 Ų72.129%0.29144%0.435SS..  trans-91.585-171.3-63.90000112.2L975L975-C979 WeakPolarHBondContact O-CB 3.46Å; L975-C979 PolarHBondContact O-N 2.83Å; L975-C979 PolarHBondContact O-SG 2.77Å; L975-C979 VanDerWaalsContact O-SG 3.38Å
980T49.4Very low66.5Low119 Ų11970.5 Ų70.573%0.7342%0.423SS*.  trans-83.1135.2178.45.80000113.6K978 A982K978-T980 PolarHBondContact O-N 2.86Å; T980-A982 VanDerWaalsContact C-N 3.27Å; T980-A982 PolarHBondContact O-N 3.25Å
981S48.7Very low65.8Low132 Ų13268 Ų6892%0.92341%0.411SS*.SBendtrans51.1-17.1160.957.20000122.5
982A46.7Very low65.2Low93 Ų9370.6 Ų70.677%0.76943%0.428SS*.SBendtrans-100.5-19.2-175.300000115.2T980T980-A982 VanDerWaalsContact C-N 3.27Å; T980-A982 PolarHBondContact O-N 3.25Å
983C48.4Very low65.1Low72 Ų7270.9 Ų70.949%0.48643%0.43SS..  trans-91.2126.9-178.9-69.30000111.7I985C983-I985 PolarHBondContact O-N 3.24Å
984A57.6Low65.3Low73 Ų7367.9 Ų67.960%0.60341%0.409SS*.  trans-75.9-0.5176.800000114.5
985I65.2Low65.2Low14 Ų1462.3 Ų62.37%0.07238%0.383CS..SBendtrans-104123-172-56.3176000110.2H925 C983 W987 I990 V1079 V1081H925-I985 HydrophobicContact CB-CD1 4.03Å; C983-I985 PolarHBondContact O-N 3.24Å; I985-W987 PolarHBondContact O-N 3.15Å; I985-W987 VanDerWaalsContact O-N 3.17Å; I985-I990 HydrophobicContact CG2-CD1 3.83Å; I985-I990 HydrophobicContact CG2-CG1 4.22Å; I985-V1079 HydrophobicContact CD1-CG1 4.07Å; I985-V1081 HydrophobicContact CD1-CG2 4.02Å; I985-V1081 HydrophobicContact CG1-CG2 4.47Å
986N69.7Low65.7Low112 Ų11262.3 Ų62.360%0.59938%0.383SS*.  trans-76.596.4169.8-81.4-34.8000110.4N988 Q989N986-N988 PolarHBondContact O-N 3.1Å; N986-N988 VanDerWaalsContact O-N 3.07Å; N986-Q989 HydrophobicContact CB-CB 4.44Å; N986-Q989 HydrophobicContact CB-CG 4.27Å; N986-Q989 PolarHBondContact ND2-OE1 2.77Å; N986-Q989 PolarHBondContact O-N 3.18Å
987W73.4Confident66.2Low13 Ų1359.7 Ų59.75%0.04937%0.367CS..G310 helixtrans-53.2-32.1-178.6-64.198.7000114P928 L931 C972 L975 I985 Q989 I990P928-W987 VanDerWaalsContact CD-CH2 3.4Å; P928-W987 HydrophobicContact CG-CH2 3.67Å; P928-W987 HydrophobicContact CG-CZ2 3.68Å; P928-W987 HydrophobicContact CG-CZ3 4.35Å; L931-W987 HydrophobicContact CD2-CE3 4.45Å; L931-W987 HydrophobicContact CD2-CH2 4.48Å; L931-W987 HydrophobicContact CD2-CZ3 3.68Å; C972-W987 HydrophobicContact CB-CB 4.46Å; C972-W987 WeakPolarHBondContact CB-O 3.43Å; L975-W987 HydrophobicContact CB-CG 4.42Å; L975-W987 HydrophobicContact CD1-CE3 4.18Å; I985-W987 PolarHBondContact O-N 3.15Å; I985-W987 VanDerWaalsContact O-N 3.17Å; W987-Q989 VanDerWaalsContact C-N 3.25Å; W987-Q989 PolarHBondContact O-N 2.89Å; W987-I990 HydrophobicContact CD2-CD1 3.99Å; W987-I990 HydrophobicContact CE3-CD1 3.25Å; W987-I990 HydrophobicContact CZ3-CD1 3.58Å; W987-I990 PolarHBondContact O-N 2.77Å
988N66Low66.7Low94 Ų9454.9 Ų54.950%0.50333%0.333SS..G310 helixtrans-64.4-22.2176.8-65.3-4.1000114.5T976 N986T976-N988 PolarHBondContact OG1-OD1 3Å; N986-N988 PolarHBondContact O-N 3.1Å; N986-N988 VanDerWaalsContact O-N 3.07Å
989Q68Low67.2Low109 Ų10949.9 Ų49.951%0.50931%0.314SS..G310 helixtrans-91.4-9.6-178.5-69.2177.7-36.100112.9N986 W987 T991 T992 S993N986-Q989 HydrophobicContact CB-CB 4.44Å; N986-Q989 HydrophobicContact CB-CG 4.27Å; N986-Q989 PolarHBondContact ND2-OE1 2.77Å; N986-Q989 PolarHBondContact O-N 3.18Å; W987-Q989 VanDerWaalsContact C-N 3.25Å; W987-Q989 PolarHBondContact O-N 2.89Å; Q989-T991 VanDerWaalsContact C-N 3.29Å; Q989-T991 PolarHBondContact O-N 3.04Å; Q989-T992 PolarHBondContact O-N 2.92Å; Q989-T992 VanDerWaalsContact O-N 3.09Å; Q989-T992 PolarHBondContact O-OG1 2.71Å; Q989-S993 PolarHBondContact O-N 3.16Å; Q989-S993 PolarHBondContact O-OG 2.85Å; Q989-S993 VanDerWaalsContact O-OG 3.13Å
990I71.4Confident67.9Low5 Ų553.5 Ų53.53%0.02633%0.33CS..Hα-helixtrans-65.5-30.3-172.1-61.4-177.3000112.7I985 W987 T992 S993 L994 I1008I985-I990 HydrophobicContact CG2-CD1 3.83Å; I985-I990 HydrophobicContact CG2-CG1 4.22Å; W987-I990 HydrophobicContact CD2-CD1 3.99Å; W987-I990 HydrophobicContact CE3-CD1 3.25Å; W987-I990 HydrophobicContact CZ3-CD1 3.58Å; W987-I990 PolarHBondContact O-N 2.77Å; I990-T992 PolarHBondContact O-N 2.64Å; I990-T992 VanDerWaalsContact O-N 3.13Å; I990-S993 WeakPolarHBondContact CA-OG 3.49Å; I990-S993 PolarHBondContact O-N 3.19Å; I990-L994 HydrophobicContact CG2-CB 4.35Å; I990-L994 VanDerWaalsContact O-CB 3.22Å; I990-L994 WeakPolarHBondContact O-CB 3.28Å; I990-L994 PolarHBondContact O-N 3.44Å; I990-I1008 HydrophobicContact CD1-CD1 3.92Å; I990-I1008 HydrophobicContact CG1-CD1 4.08Å; I990-I1008 HydrophobicContact CG2-CD1 4.14Å
991T68.2Low69.2Low35 Ų3550.3 Ų50.322%0.21531%0.307CS..Hα-helixtrans-58.1-23.9174.851.60000113.6L968 Q989 K1024L968-T991 HydrophobicContact CD2-CG2 3.58Å; Q989-T991 VanDerWaalsContact C-N 3.29Å; Q989-T991 PolarHBondContact O-N 3.04Å; T991-K1024 PolarHBondContact O-NZ 3.45Å
992T68.8Low70.4Confident81 Ų8146 Ų4650%0.49728%0.275SS..Hα-helixtrans-101.1-23.4178.166.80000113.4Q989 I990 L1026Q989-T992 PolarHBondContact O-N 2.92Å; Q989-T992 VanDerWaalsContact O-N 3.09Å; Q989-T992 PolarHBondContact O-OG1 2.71Å; I990-T992 PolarHBondContact O-N 2.64Å; I990-T992 VanDerWaalsContact O-N 3.13Å; T992-L1026 WeakPolarHBondContact O-CG 3.4Å
993S73.2Confident71.8Confident9 Ų942.3 Ų42.36%0.06325%0.246CC..Hα-helixtrans-106.4-10-174.154.20000115.9Q989 I990 L995 I1008 S1009Q989-S993 PolarHBondContact O-N 3.16Å; Q989-S993 PolarHBondContact O-OG 2.85Å; Q989-S993 VanDerWaalsContact O-OG 3.13Å; I990-S993 WeakPolarHBondContact CA-OG 3.49Å; I990-S993 PolarHBondContact O-N 3.19Å; S993-L995 PolarHBondContact O-N 2.75Å; S993-I1008 VanDerWaalsContact OG-CG2 3.29Å; S993-I1008 WeakPolarHBondContact OG-CG2 3.16Å; S993-S1009 WeakPolarHBondContact CB-O 3.13Å; S993-S1009 PolarHBondContact O-N 3.19Å
994L81.5Confident73.7Confident10 Ų1039.9 Ų39.95%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-60.2125.5176.2174.865.4000112.2F964 L968 I990 F997 I1006 T1020 W1022F964-L994 HydrophobicContact CE1-CD2 4.24Å; F964-L994 HydrophobicContact CZ-CD2 4.3Å; L968-L994 HydrophobicContact CD1-CD2 3.85Å; I990-L994 HydrophobicContact CG2-CB 4.35Å; I990-L994 VanDerWaalsContact O-CB 3.22Å; I990-L994 WeakPolarHBondContact O-CB 3.28Å; I990-L994 PolarHBondContact O-N 3.44Å; L994-F997 HydrophobicContact CD1-CE1 4.38Å; L994-F997 HydrophobicContact CD1-CZ 4.14Å; L994-F997 HydrophobicContact CD2-CE2 4.11Å; L994-F997 HydrophobicContact CD2-CZ 3.8Å; L994-I1006 HydrophobicContact CD1-CG2 3.44Å; L994-I1006 VanDerWaalsContact CD1-CG2 3.44Å; L994-T1020 WeakPolarHBondContact O-CG2 3.41Å; L994-W1022 HydrophobicContact CD2-CH2 3.75Å; L994-W1022 HydrophobicContact CD2-CZ2 3.85Å; L994-W1022 HydrophobicContact CG-CH2 3.85Å; L994-W1022 HydrophobicContact CG-CZ2 4.07Å
995L75.5Confident75.2Confident5 Ų536.4 Ų36.43%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-102.7-49.3179-69.3173.1000113.6S993 L1007 L1018 T1020 V1021 L1026S993-L995 PolarHBondContact O-N 2.75Å; L995-L1007 HydrophobicContact CB-CB 4.4Å; L995-L1007 HydrophobicContact CB-CD2 4.23Å; L995-L1007 HydrophobicContact CB-CG 4.3Å; L995-L1007 HydrophobicContact CD1-CD2 3.75Å; L995-L1007 HydrophobicContact CD1-CG 3.88Å; L995-L1007 PolarHBondContact N-O 3.05Å; L995-L1018 HydrophobicContact CD1-CD1 3.97Å; L995-L1018 HydrophobicContact CD2-CB 3.71Å; L995-L1018 HydrophobicContact CD2-CD1 3.96Å; L995-L1018 HydrophobicContact CD2-CG 4.4Å; L995-T1020 WeakPolarHBondContact O-CA 3.37Å; L995-V1021 PolarHBondContact O-N 3.17Å; L995-L1026 HydrophobicContact CD2-CD1 3.67Å; L995-L1026 HydrophobicContact CD2-CD2 4.4Å
996A83.5Confident76.4Confident2 Ų236 Ų362%0.01720%0.199CC..EExtended strand (participates in β ladder)trans-160.3157.4-168.800000112.6L1007 V1021 L1058 F1061A996-L1007 HydrophobicContact CB-CB 4.44Å; A996-L1007 PolarHBondContact O-N 2.81Å; A996-V1021 HydrophobicContact CB-CG2 3.68Å; A996-L1058 HydrophobicContact CB-CD2 3.55Å; A996-F1061 HydrophobicContact CB-CE1 4.42Å
997F83.7Confident77.3Confident5 Ų530.8 Ų30.82%0.02217%0.171CC..EExtended strand (participates in β ladder)trans-101.1164.5162-58.8-82.7000109.8I935 V943 F964 L994 N1005 I1006 W1022I935-F997 HydrophobicContact CD1-CD1 4.06Å; I935-F997 HydrophobicContact CD1-CE1 3.79Å; I935-F997 HydrophobicContact CG1-CD1 4.37Å; I935-F997 HydrophobicContact CG1-CE1 4Å; I935-F997 HydrophobicContact CG2-CD1 4.38Å; V943-F997 HydrophobicContact CG1-CD2 4.06Å; V943-F997 HydrophobicContact CG2-CD2 3.81Å; V943-F997 HydrophobicContact CG2-CE2 3.55Å; V943-F997 HydrophobicContact CG2-CZ 4.41Å; F964-F997 AromaticContact CZ-CE2 4Å; F964-F997 HydrophobicContact CZ-CE2 4Å; F964-F997 HydrophobicContact CZ-CZ 4.05Å; L994-F997 HydrophobicContact CD1-CE1 4.38Å; L994-F997 HydrophobicContact CD1-CZ 4.14Å; L994-F997 HydrophobicContact CD2-CE2 4.11Å; L994-F997 HydrophobicContact CD2-CZ 3.8Å; F997-N1005 CarbonylContact C-O 3.5Å; F997-N1005 VanDerWaalsContact CA-O 3.26Å; F997-N1005 WeakPolarHBondContact CA-O 3.36Å; F997-I1006 HydrophobicContact CD1-CG1 4.1Å; F997-I1006 HydrophobicContact CE1-CD1 4.42Å; F997-I1006 HydrophobicContact CE1-CG1 4.12Å; F997-W1022 HydrophobicContact CD2-CH2 4.16Å; F997-W1022 AromaticContact CD2-CZ3 3.91Å; F997-W1022 HydrophobicContact CD2-CZ3 3.91Å; F997-W1022 AromaticContact CE2-CH2 3.69Å; F997-W1022 HydrophobicContact CE2-CH2 3.69Å; F997-W1022 AromaticContact CE2-CZ3 3.83Å; F997-W1022 HydrophobicContact CE2-CZ3 3.83Å
998G77.8Confident77.9Confident0 Ų030.2 Ų30.20%017%0.169CC..SBendtrans-52.1-141.8-162.600000120.1N1000 Q1001 N1005G998-N1000 VanDerWaalsContact C-N 3.33Å; G998-N1000 PolarHBondContact O-N 3.2Å; G998-N1000 VanDerWaalsContact O-N 3.11Å; G998-Q1001 PolarHBondContact O-N 3.24Å; G998-Q1001 VanDerWaalsContact O-N 3.16Å; G998-N1005 PolarHBondContact N-O 2.91Å
999P75.9Confident78.6Confident21 Ų2126.1 Ų26.114%0.13615%0.147CC..THydrogen-bonded Turntrans-58.7-39.3-157.520.2-32.7000114.2Q1062 L1066P999-Q1062 WeakPolarHBondContact O-CB 3.05Å; P999-Q1062 WeakPolarHBondContact O-CG 3.46Å; P999-Q1062 PolarHBondContact O-NE2 3.21Å; P999-L1066 HydrophobicContact CB-CB 3.81Å; P999-L1066 HydrophobicContact CB-CD1 4.1Å
1000N73Confident78.8Confident120 Ų12024.5 Ų24.564%0.64214%0.14SC*.THydrogen-bonded Turntrans-103.722.6-175.8-66.3-2.9000113.6G998 T1002G998-N1000 VanDerWaalsContact C-N 3.33Å; G998-N1000 PolarHBondContact O-N 3.2Å; G998-N1000 VanDerWaalsContact O-N 3.11Å; N1000-T1002 PolarHBondContact O-N 3.38Å
1001Q76.7Confident78.7Confident51 Ų5125.7 Ų25.724%0.23815%0.146CC..SBendtrans65.4-8.2-168.1-48.4-176.9-21.100114.3V943 I947 G998 V1021V943-Q1001 WeakPolarHBondContact CG1-O 3.44Å; I947-Q1001 HydrophobicContact CD1-CB 3.79Å; G998-Q1001 PolarHBondContact O-N 3.24Å; G998-Q1001 VanDerWaalsContact O-N 3.16Å; Q1001-V1021 HydrophobicContact CB-CG1 4.18Å; Q1001-V1021 VanDerWaalsContact CD-CG1 3.42Å; Q1001-V1021 HydrophobicContact CG-CG1 4.03Å
1002T73.8Confident78.2Confident42 Ų4230.4 Ų30.426%0.25817%0.17SC..SBendtrans-128.6129.1164.552.60000107.3S940 V943 N1000S940-T1002 WeakPolarHBondContact O-CG2 3.46Å; V943-T1002 HydrophobicContact CB-CG2 4.27Å; V943-T1002 HydrophobicContact CG1-CG2 4.09Å; N1000-T1002 PolarHBondContact O-N 3.38Å
1003G77.4Confident77.4Confident15 Ų1529.2 Ų29.216%0.15516%0.163CC..SBendtrans162.7165.5-179.400000113.7I935 N1005I935-G1003 WeakPolarHBondContact CG2-O 3.42Å; G1003-N1005 PolarHBondContact O-N 3.27Å
1004P86.6Confident76.4Confident22 Ų2234.7 Ų34.714%0.14319%0.191CC..SBendtrans-79.130.4-167.233.7-38.1000114.3M927 L932 Y1076 G1077M927-P1004 WeakPolarHBondContact CE-O 3.39Å; L932-P1004 HydrophobicContact CD1-CB 3.41Å; L932-P1004 VanDerWaalsContact CD1-CB 3.41Å; P1004-Y1076 HydrophobicContact CB-CD2 3.94Å; P1004-Y1076 HydrophobicContact CB-CE2 4.02Å; P1004-Y1076 HydrophobicContact CB-CG 4.45Å; P1004-Y1076 HydrophobicContact CG-CD2 3.45Å; P1004-Y1076 VanDerWaalsContact CG-CD2 3.45Å; P1004-Y1076 HydrophobicContact CG-CE2 3.87Å; P1004-Y1076 HydrophobicContact CG-CG 4.15Å; P1004-G1077 WeakPolarHBondContact O-CA 3.48Å; P1004-G1077 PolarHBondContact O-N 3.41Å
1005N90.4Very high74.9Confident0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-134.5147.6176.7-56-55.2000109.5F997 G998 G1003 F1061 T1065 M1075 G1077 I1078F997-N1005 CarbonylContact C-O 3.5Å; F997-N1005 VanDerWaalsContact CA-O 3.26Å; F997-N1005 WeakPolarHBondContact CA-O 3.36Å; G998-N1005 PolarHBondContact N-O 2.91Å; G1003-N1005 PolarHBondContact O-N 3.27Å; N1005-F1061 HydrophobicContact CB-CZ 4.43Å; N1005-T1065 HydrophobicContact CB-CG2 4.1Å; N1005-M1075 PolarHBondContact ND2-O 3.13Å; N1005-G1077 PolarHBondContact OD1-N 3.41Å; N1005-I1078 CarbonylContact C-O 3.52Å; N1005-I1078 WeakPolarHBondContact CA-O 3.31Å; N1005-I1078 WeakPolarHBondContact CB-O 3.42Å; N1005-I1078 PolarHBondContact OD1-N 2.95Å; N1005-I1078 VanDerWaalsContact OD1-N 3.12Å
1006I89.3Confident74Confident5 Ų543.1 Ų43.13%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-121.2143.4-177-56.5-179.6000110.3M927 L931 I935 L994 F997 I1008 I1078 V1079 F1080M927-I1006 HydrophobicContact SD-CD1 3.5Å; M927-I1006 VanDerWaalsContact SD-CD1 3.5Å; M927-I1006 HydrophobicContact SD-CG1 3.76Å; L931-I1006 HydrophobicContact CD2-CD1 3.7Å; L931-I1006 HydrophobicContact CG-CD1 4.28Å; I935-I1006 HydrophobicContact CD1-CD1 3.75Å; I935-I1006 HydrophobicContact CD1-CG1 3.92Å; L994-I1006 HydrophobicContact CD1-CG2 3.44Å; L994-I1006 VanDerWaalsContact CD1-CG2 3.44Å; F997-I1006 HydrophobicContact CD1-CG1 4.1Å; F997-I1006 HydrophobicContact CE1-CD1 4.42Å; F997-I1006 HydrophobicContact CE1-CG1 4.12Å; I1006-I1008 HydrophobicContact CG2-CD1 4.34Å; I1006-I1008 HydrophobicContact CG2-CG1 3.78Å; I1006-I1078 PolarHBondContact N-O 3.4Å; I1006-V1079 HydrophobicContact CB-CG1 4.41Å; I1006-V1079 HydrophobicContact CB-CG2 4.44Å; I1006-V1079 HydrophobicContact CD1-CG2 4.45Å; I1006-F1080 PolarHBondContact O-N 2.89Å
1007L89.3Confident72.6Confident2 Ų245.8 Ų45.81%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-112.7127.2164.4-173.767.7000110.9L995 A996 F1061 F1080 M1276L995-L1007 HydrophobicContact CB-CB 4.4Å; L995-L1007 HydrophobicContact CB-CD2 4.23Å; L995-L1007 HydrophobicContact CB-CG 4.3Å; L995-L1007 HydrophobicContact CD1-CD2 3.75Å; L995-L1007 HydrophobicContact CD1-CG 3.88Å; L995-L1007 PolarHBondContact N-O 3.05Å; A996-L1007 HydrophobicContact CB-CB 4.44Å; A996-L1007 PolarHBondContact O-N 2.81Å; L1007-F1061 HydrophobicContact CB-CD1 4.2Å; L1007-F1061 HydrophobicContact CB-CD2 4.08Å; L1007-F1061 HydrophobicContact CB-CE1 3.96Å; L1007-F1061 HydrophobicContact CB-CE2 3.83Å; L1007-F1061 HydrophobicContact CB-CG 4.25Å; L1007-F1061 HydrophobicContact CB-CZ 3.77Å; L1007-F1061 HydrophobicContact CD1-CD2 3.92Å; L1007-F1061 HydrophobicContact CD1-CE2 4.21Å; L1007-F1061 HydrophobicContact CD1-CG 4.44Å; L1007-F1061 HydrophobicContact CD2-CB 4.14Å; L1007-F1061 HydrophobicContact CD2-CD1 4.3Å; L1007-F1061 HydrophobicContact CD2-CD2 4.3Å; L1007-F1061 HydrophobicContact CD2-CG 3.99Å; L1007-F1061 HydrophobicContact CG-CD2 4.31Å; L1007-F1061 HydrophobicContact CG-CE2 4.49Å; L1007-F1061 HydrophobicContact CG-CG 4.45Å; L1007-F1080 WeakPolarHBondContact CA-O 3.5Å; L1007-F1080 HydrophobicContact CD1-CB 3.83Å; L1007-M1276 HydrophobicContact CD1-CE 3.87Å; L1007-M1276 HydrophobicContact CD2-CE 4.25Å
1008I86.6Confident71.6Confident1 Ų146.2 Ų46.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-119.4144-179.7-54.3-175.8000109.5I990 S993 I1006 V1079 F1080 V1081 L1082I990-I1008 HydrophobicContact CD1-CD1 3.92Å; I990-I1008 HydrophobicContact CG1-CD1 4.08Å; I990-I1008 HydrophobicContact CG2-CD1 4.14Å; S993-I1008 VanDerWaalsContact OG-CG2 3.29Å; S993-I1008 WeakPolarHBondContact OG-CG2 3.16Å; I1006-I1008 HydrophobicContact CG2-CD1 4.34Å; I1006-I1008 HydrophobicContact CG2-CG1 3.78Å; I1008-V1079 HydrophobicContact CD1-CG1 3.47Å; I1008-V1079 VanDerWaalsContact CD1-CG1 3.47Å; I1008-V1079 HydrophobicContact CG1-CG1 4Å; I1008-F1080 PolarHBondContact N-O 3.09Å; I1008-V1081 HydrophobicContact CB-CG2 4.41Å; I1008-L1082 PolarHBondContact O-N 2.88Å
1009S79.9Confident70.6Confident8 Ų848.8 Ų48.86%0.05626%0.261CS..EExtended strand (participates in β ladder)trans-109.4128.7175.8-172.70000113.2S993 L1011S993-S1009 WeakPolarHBondContact CB-O 3.13Å; S993-S1009 PolarHBondContact O-N 3.19Å; S1009-L1011 PolarHBondContact OG-N 2.94Å
1010H73.5Confident69.9Low76 Ų7648.1 Ų48.135%0.35226%0.256SS..  trans-111.518.4165.6-67.2167.9000112.7N1012 V1081 L1082H1010-N1012 PolarHBondContact O-N 3.35Å; H1010-V1081 WeakPolarHBondContact ND1-CG1 3.37Å; H1010-L1082 PolarHBondContact N-O 3.34Å
1011L67.3Low69.3Low30 Ų3043.6 Ų43.616%0.15723%0.233CC..  trans-65124.7-179.4-61.3-174.5000112.7S1009 L1018 L1082 I1085S1009-L1011 PolarHBondContact OG-N 2.94Å; L1011-L1018 HydrophobicContact CD1-CD1 3.72Å; L1011-L1082 HydrophobicContact CD1-CD2 3.92Å; L1011-L1082 HydrophobicContact CD1-CG 4.35Å; L1011-L1082 HydrophobicContact CD2-CG 4.1Å; L1011-L1082 HydrophobicContact CG-CD2 4.22Å; L1011-L1082 HydrophobicContact CG-CG 4.18Å; L1011-I1085 HydrophobicContact CD1-CD1 3.92Å; L1011-I1085 HydrophobicContact CD1-CG1 4.29Å; L1011-I1085 HydrophobicContact CD2-CG1 4.18Å
1012N58Low68.5Low134 Ų13441.4 Ų41.472%0.71722%0.223SC*.  trans-98.529.1177.3-71.6-32.8000113.6H1010H1010-N1012 PolarHBondContact O-N 3.35Å
1013T53.5Low67.7Low56 Ų5640.5 Ų40.534%0.34422%0.221SC..  trans-128.8122.5-168.954.80000114.8Y1015T1013-Y1015 PolarHBondContact O-N 3.28Å; T1013-Y1015 VanDerWaalsContact O-N 3.14Å
1014D50.5Low67.1Low123 Ų12342.1 Ų42.166%0.65822%0.224SC*.THydrogen-bonded Turntrans-69.9-7.8178.9-57.9-35.9000114.1F1016 P1017 S1028D1014-F1016 VanDerWaalsContact C-N 3.32Å; D1014-F1016 PolarHBondContact O-N 2.9Å; D1014-P1017 WeakPolarHBondContact O-CD 3.21Å; D1014-S1028 PolarHBondContact OD1-OG 3.25Å
1015Y50.2Low66Low166 Ų16648.5 Ų48.565%0.65125%0.25SC*.THydrogen-bonded Turntrans-72.4-23180-60.5-72.3000113.7T1013T1013-Y1015 PolarHBondContact O-N 3.28Å; T1013-Y1015 VanDerWaalsContact O-N 3.14Å
1016F56.3Low64.4Low27 Ų2750.9 Ų50.912%0.11826%0.262CS..SBendtrans-131.866.5-179.3-64.4-79.9000111.3D1014 L1018 I1085D1014-F1016 VanDerWaalsContact C-N 3.32Å; D1014-F1016 PolarHBondContact O-N 2.9Å; F1016-L1018 PolarHBondContact O-N 3.09Å; F1016-L1018 VanDerWaalsContact O-N 3.14Å; F1016-I1085 HydrophobicContact CD2-CG2 4.3Å; F1016-I1085 HydrophobicContact CE2-CG2 3.9Å; F1016-I1085 HydrophobicContact CZ-CG2 4.23Å
1017P55.8Low62.6Low58 Ų5857.4 Ų57.438%0.37730%0.297SS..  trans-55.4121.3172.424.1-37.2000110.9D1014 I1050D1014-P1017 WeakPolarHBondContact O-CD 3.21Å; P1017-I1050 HydrophobicContact CG-CB 3.59Å; P1017-I1050 HydrophobicContact CG-CD1 3.58Å; P1017-I1050 HydrophobicContact CG-CG1 4.1Å; P1017-I1050 HydrophobicContact CG-CG2 3.64Å
1018L61.7Low60.4Low14 Ų1461.6 Ų61.67%0.07333%0.326CS..  trans-96.1137.8175.4-65172.1000109.6L995 L1011 F1016 L1026 L1057 L1082L995-L1018 HydrophobicContact CD1-CD1 3.97Å; L995-L1018 HydrophobicContact CD2-CB 3.71Å; L995-L1018 HydrophobicContact CD2-CD1 3.96Å; L995-L1018 HydrophobicContact CD2-CG 4.4Å; L1011-L1018 HydrophobicContact CD1-CD1 3.72Å; F1016-L1018 PolarHBondContact O-N 3.09Å; F1016-L1018 VanDerWaalsContact O-N 3.14Å; L1018-L1026 HydrophobicContact CB-CD1 4.47Å; L1018-L1026 PolarHBondContact O-N 3.34Å; L1018-L1057 HydrophobicContact CD2-CD1 3.89Å; L1018-L1082 HydrophobicContact CD1-CD2 4.18Å
1019C57.2Low57.9Low54 Ų5466 Ų6637%0.36536%0.357SS..BIsolated β-bridgetrans-110.1141167-60.80000107.8K1024C1019-K1024 CarbonylContact C-O 3.55Å; C1019-K1024 WeakPolarHBondContact CA-O 3.29Å
1020T61Low55.6Low7 Ų772.9 Ų72.94%0.04339%0.393CS..  trans-62.3160.8167.871.20000110.3L994 L995 W1022 G1023 K1024 L1026L994-T1020 WeakPolarHBondContact O-CG2 3.41Å; L995-T1020 WeakPolarHBondContact O-CA 3.37Å; T1020-W1022 HydrophobicContact CG2-CZ2 4.16Å; T1020-W1022 PolarHBondContact O-N 3.03Å; T1020-W1022 VanDerWaalsContact O-N 3.14Å; T1020-W1022 PolarHBondContact OG1-NE1 3.46Å; T1020-W1022 VanDerWaalsContact OG1-NE1 3.17Å; T1020-G1023 PolarHBondContact O-N 3.24Å; T1020-G1023 PolarHBondContact OG1-N 3Å; T1020-K1024 HydrophobicContact CG2-CB 3.95Å; T1020-K1024 PolarHBondContact N-O 3.14Å; T1020-K1024 WeakPolarHBondContact OG1-CB 3.42Å; T1020-K1024 PolarHBondContact OG1-N 3.38Å; T1020-K1024 PolarHBondContact OG1-O 2.98Å; T1020-L1026 HydrophobicContact CG2-CD1 4.13Å
1021V59.6Low53.5Low25 Ų2575.7 Ų75.715%0.15241%0.41CS..THydrogen-bonded Turntrans-57.8-29.8178.4178.20000112.4I947 L995 A996 Q1001 L1058I947-V1021 HydrophobicContact CD1-CG1 3.91Å; I947-V1021 HydrophobicContact CG1-CG1 4.16Å; L995-V1021 PolarHBondContact O-N 3.17Å; A996-V1021 HydrophobicContact CB-CG2 3.68Å; Q1001-V1021 HydrophobicContact CB-CG1 4.18Å; Q1001-V1021 VanDerWaalsContact CD-CG1 3.42Å; Q1001-V1021 HydrophobicContact CG-CG1 4.03Å; V1021-L1058 HydrophobicContact CG2-CD1 4.2Å; V1021-L1058 HydrophobicContact CG2-CD2 3.87Å
1022W60.9Low51.4Low5 Ų582.3 Ų82.32%0.01945%0.446CS..THydrogen-bonded Turntrans-93.810175.853.188.3000114.2V943 L946 F950 Y957 F964 L994 F997 T1020V943-W1022 HydrophobicContact CG1-CE3 4.48Å; V943-W1022 HydrophobicContact CG1-CZ3 4.45Å; L946-W1022 HydrophobicContact CB-CB 4.38Å; F950-W1022 WeakPolarHBondContact CB-O 3.37Å; F950-W1022 WeakPolarHBondContact CD2-O 3.24Å; F950-W1022 WeakPolarHBondContact CG-O 3.44Å; Y957-W1022 WeakPolarHBondContact CE2-O 3.37Å; Y957-W1022 VanDerWaalsContact CZ-O 3.31Å; Y957-W1022 PolarHBondContact OH-O 3.24Å; F964-W1022 HydrophobicContact CE1-CZ2 4.29Å; L994-W1022 HydrophobicContact CD2-CH2 3.75Å; L994-W1022 HydrophobicContact CD2-CZ2 3.85Å; L994-W1022 HydrophobicContact CG-CH2 3.85Å; L994-W1022 HydrophobicContact CG-CZ2 4.07Å; F997-W1022 HydrophobicContact CD2-CH2 4.16Å; F997-W1022 AromaticContact CD2-CZ3 3.91Å; F997-W1022 HydrophobicContact CD2-CZ3 3.91Å; F997-W1022 AromaticContact CE2-CH2 3.69Å; F997-W1022 HydrophobicContact CE2-CH2 3.69Å; F997-W1022 AromaticContact CE2-CZ3 3.83Å; F997-W1022 HydrophobicContact CE2-CZ3 3.83Å; T1020-W1022 HydrophobicContact CG2-CZ2 4.16Å; T1020-W1022 PolarHBondContact O-N 3.03Å; T1020-W1022 VanDerWaalsContact O-N 3.14Å; T1020-W1022 PolarHBondContact OG1-NE1 3.46Å; T1020-W1022 VanDerWaalsContact OG1-NE1 3.17Å
1023G56.3Low49.8Very low22 Ų2280.6 Ų80.623%0.22744%0.444CS..SBendtrans94.3-0.4165.700000117.7F950 T1020 K1025F950-G1023 VanDerWaalsContact CZ-CA 3.41Å; T1020-G1023 PolarHBondContact O-N 3.24Å; T1020-G1023 PolarHBondContact OG1-N 3Å; G1023-K1025 PolarHBondContact O-N 2.99Å
1024K66.1Low48.3Very low50 Ų5085.1 Ų85.122%0.21747%0.472CS..PPolyproline II helixtrans-65.9122.9169.7-179.9179.1-178.1173.40108.6E965 T991 C1019 T1020E965-K1024 WeakPolarHBondContact OE1-CD 3.1Å; E965-K1024 WeakPolarHBondContact OE1-CE 3.25Å; E965-K1024 IonicContact OE1-NZ 3.61Å; E965-K1024 PolarHBondContact OE1-NZ 3.21Å; E965-K1024 IonicContact OE2-NZ 3.19Å; E965-K1024 PolarHBondContact OE2-NZ 3.38Å; T991-K1024 PolarHBondContact O-NZ 3.45Å; C1019-K1024 CarbonylContact C-O 3.55Å; C1019-K1024 WeakPolarHBondContact CA-O 3.29Å; T1020-K1024 HydrophobicContact CG2-CB 3.95Å; T1020-K1024 PolarHBondContact N-O 3.14Å; T1020-K1024 WeakPolarHBondContact OG1-CB 3.42Å; T1020-K1024 PolarHBondContact OG1-N 3.38Å; T1020-K1024 PolarHBondContact OG1-O 2.98Å
1025K61.7Low47.1Very low156 Ų15686.8 Ų86.868%0.67848%0.479SS*.BIsolated β-bridgetrans-75.3137168.9-68178.7179.2177.20108.7G1023 N1027G1023-K1025 PolarHBondContact O-N 2.99Å; K1025-N1027 PolarHBondContact O-N 3.48Å
1026L58.1Low45.9Very low49 Ų4986.5 Ų86.526%0.25748%0.484SS..PPolyproline II helixtrans-74.3124167-82.878.8000108.8T992 L995 L1018 T1020T992-L1026 WeakPolarHBondContact O-CG 3.4Å; L995-L1026 HydrophobicContact CD2-CD1 3.67Å; L995-L1026 HydrophobicContact CD2-CD2 4.4Å; L1018-L1026 HydrophobicContact CB-CD1 4.47Å; L1018-L1026 PolarHBondContact O-N 3.34Å; T1020-L1026 HydrophobicContact CG2-CD1 4.13Å
1027N51Low44.4Very low143 Ų14393.7 Ų93.777%0.76552%0.522SS*.PPolyproline II helixtrans-86.8129.8170.4-73.6-14.2000109.2K1025 S1029K1025-N1027 PolarHBondContact O-N 3.48Å; N1027-S1029 PolarHBondContact O-N 3.42Å
1028S44Very low42.9Very low89 Ų8998.5 Ų98.562%0.62254%0.537SS*.  trans-72.174.6171.741.20000110.9D1014 L1030D1014-S1028 PolarHBondContact OD1-OG 3.25Å; S1028-L1030 VanDerWaalsContact C-N 3.35Å; S1028-L1030 PolarHBondContact O-N 3.45Å
1029S33.8Very low41.1Very low93 Ų93105.1 Ų105.165%0.6557%0.573SS**  trans-78.776.7-176.5680000112.9N1027N1027-S1029 PolarHBondContact O-N 3.42Å
1030L31.2Very low39.8Very low154 Ų154110.8 Ų110.881%0.80660%0.598SS**  trans-98.9104.3158.8-113.8150.9000108.7S1028 N1032S1028-L1030 VanDerWaalsContact C-N 3.35Å; S1028-L1030 PolarHBondContact O-N 3.45Å; L1030-N1032 PolarHBondContact O-N 3.47Å
1031N28.5Very low38.2Very low134 Ų134117.9 Ų117.972%0.71764%0.636SS**  trans-62.6127.1-176.4-69.2-38.4000112.1S1033N1031-S1033 PolarHBondContact O-N 2.98Å
1032N24.2Very low36.5Very low169 Ų169126.1 Ų126.190%0.90467%0.669SS**SBendtrans12.481.4149-67.8-24.3000116.9L1030L1030-N1032 PolarHBondContact O-N 3.47Å
1033S24.2Very low34.8Very low99 Ų99135.4 Ų135.469%0.69271%0.71SS**  trans-153129.1152.948.60000111.8N1031 I1035N1031-S1033 PolarHBondContact O-N 2.98Å; S1033-I1035 PolarHBondContact O-N 3.22Å
1034T22.5Very low33.5Very low150 Ų150138.6 Ų138.692%0.9273%0.728SS**  trans-47.3113.8-179.3420000114.6
1035I25.5Very low31.6Very low159 Ų159144.1 Ų144.182%0.81576%0.76SS**  trans-116.8129.4159-61.6-178.4000109S1033 L1037S1033-I1035 PolarHBondContact O-N 3.22Å; I1035-L1037 PolarHBondContact O-N 2.99Å
1036H24.2Very low30Very low159 Ų159140.9 Ų140.974%0.73675%0.75SS**  trans-69.194.8-170.3-99.4-64.3000113.6K1038H1036-K1038 VanDerWaalsContact C-N 3.31Å; H1036-K1038 PolarHBondContact O-N 3.3Å; H1036-K1038 VanDerWaalsContact O-N 3.12Å
1037L25.2Very low28.6Very low179 Ų179145 Ų14594%0.93777%0.772SS**  trans-79.479.4156.7-81.6163.8000110.1I1035I1035-L1037 PolarHBondContact O-N 2.99Å
1038K23.1Very low27.9Very low159 Ų159141.1 Ų141.169%0.69175%0.751SS**  trans-82.5125.3164.3-81.3-176.4177175.80109.3H1036H1036-K1038 VanDerWaalsContact C-N 3.31Å; H1036-K1038 PolarHBondContact O-N 3.3Å; H1036-K1038 VanDerWaalsContact O-N 3.12Å
1039N24.7Very low27.5Very low152 Ų152142.4 Ų142.481%0.81376%0.757SS**SBendtrans68.985169.2-54.5-13.3000117
1040I29.7Very low27.9Very low173 Ų173140.2 Ų140.289%0.88774%0.738SS**  -155.6142.4121.9-95.1145.1000107.8
1041N27.6Very low28.8Very low157 Ų157139.3 Ų139.384%0.8473%0.732SS**  trans-80.9138.6-164.9-76.5-51.6000114.2K1043N1041-K1043 PolarHBondContact O-N 2.99Å
1042K24.8Very low30.1Very low198 Ų198135.6 Ų135.686%0.86172%0.717SS**  trans-13.1114.9156.4-62.3172.4175.9178.80115.8
1043K25.1Very low32.1Very low199 Ų199129.2 Ų129.287%0.86568%0.68SS**  -178.7149.4128.7-99.9161-177.3-175.30112.8N1041N1041-K1043 PolarHBondContact O-N 2.99Å
1044S28.5Very low34.3Very low89 Ų89125.2 Ų125.262%0.62266%0.655SS**  trans54.3108.2171.851.60000118.9I1046S1044-I1046 PolarHBondContact O-N 2.91Å
1045N25.1Very low36.7Very low166 Ų166124.5 Ų124.589%0.88864%0.639SS**  trans-68.5105.2154.7-68.7-10.2000108.4N1047N1045-N1047 PolarHBondContact O-N 2.99Å
1046I28.4Very low39.2Very low89 Ų89117.2 Ų117.246%0.45660%0.602SS.*  trans-9296-178.9-59.8172.7000109.1S1044 L1048S1044-I1046 PolarHBondContact O-N 2.91Å; I1046-L1048 PolarHBondContact O-N 3.31Å; I1046-L1048 VanDerWaalsContact O-N 3.08Å
1047N29.6Very low41.9Very low136 Ų136109.9 Ų109.973%0.72757%0.569SS**  trans-71.595.6169.8-74.5-22.7000109.9N1045N1045-N1047 PolarHBondContact O-N 2.99Å
1048L35.2Very low44.8Very low60 Ų60102.5 Ų102.531%0.31453%0.53SS..  trans-65142.6167.1-82.4120.2000110.2I1046 I1050I1046-L1048 PolarHBondContact O-N 3.31Å; I1046-L1048 VanDerWaalsContact O-N 3.08Å; L1048-I1050 VanDerWaalsContact C-N 3.32Å; L1048-I1050 HydrophobicContact CB-CD1 3.8Å; L1048-I1050 HydrophobicContact CB-CG1 3.84Å; L1048-I1050 VanDerWaalsContact O-CD1 3.24Å; L1048-I1050 WeakPolarHBondContact O-CD1 3.49Å; L1048-I1050 WeakPolarHBondContact O-CG1 3.33Å; L1048-I1050 PolarHBondContact O-N 2.92Å
1049P37Very low47.7Very low117 Ų117100.4 Ų100.476%0.7652%0.518SS*.  trans-79.875.1-177.332.1-35.1000111.7I1051P1049-I1051 PolarHBondContact O-N 3.43Å
1050I42Very low50.6Low47 Ų4793.1 Ų93.124%0.24148%0.479CS..  trans-91.680.7-169.3-47.4127000112P1017 L1048P1017-I1050 HydrophobicContact CG-CB 3.59Å; P1017-I1050 HydrophobicContact CG-CD1 3.58Å; P1017-I1050 HydrophobicContact CG-CG1 4.1Å; P1017-I1050 HydrophobicContact CG-CG2 3.64Å; L1048-I1050 VanDerWaalsContact C-N 3.32Å; L1048-I1050 HydrophobicContact CB-CD1 3.8Å; L1048-I1050 HydrophobicContact CB-CG1 3.84Å; L1048-I1050 VanDerWaalsContact O-CD1 3.24Å; L1048-I1050 WeakPolarHBondContact O-CD1 3.49Å; L1048-I1050 WeakPolarHBondContact O-CG1 3.33Å; L1048-I1050 PolarHBondContact O-N 2.92Å
1051I49.3Very low53.5Low134 Ų13484.9 Ų84.969%0.68744%0.437SS*.SBendtrans-124.5-13.2175-61.9177.5000112.6P1049P1049-I1051 PolarHBondContact O-N 3.43Å
1052S55.8Low56.5Low56 Ų5679.3 Ų79.339%0.39241%0.405SS..SBendtrans-85.9-47.3-175.6540000114.7G1054 K1055S1052-G1054 PolarHBondContact O-N 2.82Å; S1052-K1055 PolarHBondContact O-N 2.94Å
1053Y66.8Low59.4Low35 Ų3574.5 Ų74.514%0.13739%0.386CS..Hα-helixtrans-67.9-37.8-170.2-67.3-67.1000114.3K1055 A1056 L1057 L1264 I1267 P1269 L1272Y1053-K1055 VanDerWaalsContact C-N 3.3Å; Y1053-K1055 PolarHBondContact O-N 2.85Å; Y1053-A1056 WeakPolarHBondContact O-CB 3.3Å; Y1053-A1056 PolarHBondContact O-N 2.75Å; Y1053-L1057 PolarHBondContact O-N 3.49Å; Y1053-L1057 VanDerWaalsContact O-N 3.15Å; Y1053-L1264 PolarHBondContact OH-O 2.99Å; Y1053-I1267 HydrophobicContact CE1-CG2 4.46Å; Y1053-I1267 WeakPolarHBondContact CE1-O 3.41Å; Y1053-I1267 PolarHBondContact OH-O 2.97Å; Y1053-P1269 HydrophobicContact CD1-CB 4.21Å; Y1053-P1269 HydrophobicContact CE1-CB 4.39Å; Y1053-L1272 HydrophobicContact CD1-CD2 3.88Å; Y1053-L1272 HydrophobicContact CG-CD2 4.39Å
1054G70.3Confident62.5Low15 Ų1565 Ų6516%0.15535%0.345CS..Hα-helixtrans-58.5-40.6177.700000112.8S1052 A1056 L1057 L1058S1052-G1054 PolarHBondContact O-N 2.82Å; G1054-A1056 VanDerWaalsContact C-N 3.29Å; G1054-A1056 PolarHBondContact O-N 3.06Å; G1054-L1057 PolarHBondContact O-N 3.36Å; G1054-L1058 WeakPolarHBondContact O-CD1 3.42Å; G1054-L1058 VanDerWaalsContact O-CG 3.28Å; G1054-L1058 WeakPolarHBondContact O-CG 3.49Å; G1054-L1058 PolarHBondContact O-N 3.03Å
1055K72.3Confident65.5Low136 Ų13660.8 Ų60.859%0.59132%0.315SS*.Hα-helixtrans-63.8-32175.4-66.5-177.9178.8-179.50112.8S1052 Y1053 R1059S1052-K1055 PolarHBondContact O-N 2.94Å; Y1053-K1055 VanDerWaalsContact C-N 3.3Å; Y1053-K1055 PolarHBondContact O-N 2.85Å; K1055-R1059 WeakPolarHBondContact O-CB 3.24Å; K1055-R1059 WeakPolarHBondContact O-CG 3.49Å; K1055-R1059 PolarHBondContact O-N 3.15Å
1056A78.5Confident68.4Low6 Ų657 Ų575%0.0530%0.295CS..Hα-helixtrans-72.3-41.1177.500000112.3Y1053 G1054 R1059 G1060 P1269 L1272 T1273Y1053-A1056 WeakPolarHBondContact O-CB 3.3Å; Y1053-A1056 PolarHBondContact O-N 2.75Å; G1054-A1056 VanDerWaalsContact C-N 3.29Å; G1054-A1056 PolarHBondContact O-N 3.06Å; A1056-R1059 PolarHBondContact O-N 3.42Å; A1056-G1060 PolarHBondContact O-N 3.06Å; A1056-P1269 HydrophobicContact CB-CB 4Å; A1056-P1269 VanDerWaalsContact CB-O 3.29Å; A1056-P1269 WeakPolarHBondContact CB-O 3.16Å; A1056-L1272 HydrophobicContact CB-CB 4.1Å; A1056-L1272 HydrophobicContact CB-CD2 4.38Å; A1056-T1273 WeakPolarHBondContact O-CA 3.48Å; A1056-T1273 PolarHBondContact O-OG1 3.39Å
1057L81.9Confident71Confident5 Ų559 Ų593%0.02630%0.3CS..Hα-helixtrans-60.4-47.2172.1-67.4169000111.2I920 L1018 Y1053 G1054 R1059 G1060 F1061 I1085 L1272 M1276I920-L1057 HydrophobicContact CD1-CD2 4.48Å; L1018-L1057 HydrophobicContact CD2-CD1 3.89Å; Y1053-L1057 PolarHBondContact O-N 3.49Å; Y1053-L1057 VanDerWaalsContact O-N 3.15Å; G1054-L1057 PolarHBondContact O-N 3.36Å; L1057-R1059 PolarHBondContact O-N 3.37Å; L1057-G1060 PolarHBondContact O-N 3.47Å; L1057-G1060 VanDerWaalsContact O-N 3.14Å; L1057-F1061 PolarHBondContact O-N 2.9Å; L1057-I1085 HydrophobicContact CD1-CD1 3.8Å; L1057-I1085 HydrophobicContact CD2-CD1 4.29Å; L1057-L1272 HydrophobicContact CD1-CD2 4.38Å; L1057-L1272 HydrophobicContact CD2-CD1 3.99Å; L1057-L1272 HydrophobicContact CD2-CD2 3.86Å; L1057-L1272 HydrophobicContact CD2-CG 3.72Å; L1057-L1272 HydrophobicContact CG-CD2 3.75Å; L1057-L1272 HydrophobicContact CG-CG 4.1Å; L1057-M1276 HydrophobicContact CD2-CB 4.05Å; L1057-M1276 HydrophobicContact CD2-CG 4.12Å; L1057-M1276 HydrophobicContact CD2-SD 4.02Å; L1057-M1276 WeakPolarHBondContact O-CG 3.29Å
1058L84.9Confident73.6Confident24 Ų2453 Ų5313%0.12627%0.27CS..Hα-helixtrans-57.2-49177.3-71.4165.7000111.8A996 V1021 G1054 G1060 F1061 Q1062A996-L1058 HydrophobicContact CB-CD2 3.55Å; V1021-L1058 HydrophobicContact CG2-CD1 4.2Å; V1021-L1058 HydrophobicContact CG2-CD2 3.87Å; G1054-L1058 WeakPolarHBondContact O-CD1 3.42Å; G1054-L1058 VanDerWaalsContact O-CG 3.28Å; G1054-L1058 WeakPolarHBondContact O-CG 3.49Å; G1054-L1058 PolarHBondContact O-N 3.03Å; L1058-G1060 VanDerWaalsContact C-N 3.32Å; L1058-G1060 PolarHBondContact O-N 3.04Å; L1058-F1061 PolarHBondContact O-N 3.12Å; L1058-Q1062 WeakPolarHBondContact O-CG 3.21Å; L1058-Q1062 PolarHBondContact O-N 2.91Å
1059R84.2Confident75.8Confident114 Ų11450.7 Ų50.743%0.4326%0.259SS..Hα-helixtrans-59.1-39.7174.6-80.9176.4160.5165.5-6.6112.8K1055 A1056 L1057 Q1062 Q1063 D1184 T1273K1055-R1059 WeakPolarHBondContact O-CB 3.24Å; K1055-R1059 WeakPolarHBondContact O-CG 3.49Å; K1055-R1059 PolarHBondContact O-N 3.15Å; A1056-R1059 PolarHBondContact O-N 3.42Å; L1057-R1059 PolarHBondContact O-N 3.37Å; R1059-Q1062 PolarHBondContact O-N 3.04Å; R1059-Q1063 WeakPolarHBondContact O-CG 3.16Å; R1059-Q1063 PolarHBondContact O-N 3.34Å; R1059-D1184 IonicContact CZ-OD2 3.02Å; R1059-D1184 IonicContact NE-OD2 2.99Å; R1059-D1184 IonicContact NH2-OD2 3.96Å; R1059-D1184 PolarHBondContact NH2-OD2 3.45Å; R1059-T1273 HydrophobicContact CB-CG2 4.05Å
1060G86.3Confident77.9Confident0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-65.2-41.7178.700000112.9A1056 L1057 L1058 Q1063 A1064 T1273 T1277A1056-G1060 PolarHBondContact O-N 3.06Å; L1057-G1060 PolarHBondContact O-N 3.47Å; L1057-G1060 VanDerWaalsContact O-N 3.14Å; L1058-G1060 VanDerWaalsContact C-N 3.32Å; L1058-G1060 PolarHBondContact O-N 3.04Å; G1060-Q1063 PolarHBondContact O-N 3.14Å; G1060-A1064 PolarHBondContact O-N 2.95Å; G1060-T1273 WeakPolarHBondContact CA-O 3.28Å; G1060-T1277 WeakPolarHBondContact CA-OG1 3.42Å; G1060-T1277 WeakPolarHBondContact O-CA 3.42Å; G1060-T1277 PolarHBondContact O-OG1 3.27Å; G1060-T1277 VanDerWaalsContact O-OG1 3.13Å
1061F89.9Confident79.6Confident0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-62.4-44.2172.6167.4-102.4000112.5A996 N1005 L1007 L1057 L1058 Q1063 A1064 T1065 F1080 M1276A996-F1061 HydrophobicContact CB-CE1 4.42Å; N1005-F1061 HydrophobicContact CB-CZ 4.43Å; L1007-F1061 HydrophobicContact CB-CD1 4.2Å; L1007-F1061 HydrophobicContact CB-CD2 4.08Å; L1007-F1061 HydrophobicContact CB-CE1 3.96Å; L1007-F1061 HydrophobicContact CB-CE2 3.83Å; L1007-F1061 HydrophobicContact CB-CG 4.25Å; L1007-F1061 HydrophobicContact CB-CZ 3.77Å; L1007-F1061 HydrophobicContact CD1-CD2 3.92Å; L1007-F1061 HydrophobicContact CD1-CE2 4.21Å; L1007-F1061 HydrophobicContact CD1-CG 4.44Å; L1007-F1061 HydrophobicContact CD2-CB 4.14Å; L1007-F1061 HydrophobicContact CD2-CD1 4.3Å; L1007-F1061 HydrophobicContact CD2-CD2 4.3Å; L1007-F1061 HydrophobicContact CD2-CG 3.99Å; L1007-F1061 HydrophobicContact CG-CD2 4.31Å; L1007-F1061 HydrophobicContact CG-CE2 4.49Å; L1007-F1061 HydrophobicContact CG-CG 4.45Å; L1057-F1061 PolarHBondContact O-N 2.9Å; L1058-F1061 PolarHBondContact O-N 3.12Å; F1061-Q1063 PolarHBondContact O-N 3.44Å; F1061-A1064 PolarHBondContact O-N 3.34Å; F1061-T1065 HydrophobicContact CD2-CG2 4.09Å; F1061-T1065 HydrophobicContact CE1-CG2 4.49Å; F1061-T1065 HydrophobicContact CE2-CG2 3.65Å; F1061-T1065 HydrophobicContact CZ-CG2 3.88Å; F1061-T1065 PolarHBondContact O-N 2.95Å; F1061-T1065 PolarHBondContact O-OG1 2.88Å; F1061-F1080 HydrophobicContact CD2-CD2 4.4Å; F1061-F1080 HydrophobicContact CE2-CB 4.12Å; F1061-F1080 AromaticContact CE2-CD2 3.67Å; F1061-F1080 HydrophobicContact CE2-CD2 3.67Å; F1061-F1080 HydrophobicContact CE2-CE2 4.42Å; F1061-F1080 HydrophobicContact CE2-CG 4.11Å; F1061-M1276 HydrophobicContact CB-CE 4.36Å
1062Q90.2Very high81.1Confident40 Ų4038.2 Ų38.219%0.18719%0.192CC..Hα-helixtrans-60.6-44.5175.7-70.1178.5-81.500111.7P999 L1058 R1059 A1064 T1065 L1066P999-Q1062 WeakPolarHBondContact O-CB 3.05Å; P999-Q1062 WeakPolarHBondContact O-CG 3.46Å; P999-Q1062 PolarHBondContact O-NE2 3.21Å; L1058-Q1062 WeakPolarHBondContact O-CG 3.21Å; L1058-Q1062 PolarHBondContact O-N 2.91Å; R1059-Q1062 PolarHBondContact O-N 3.04Å; Q1062-A1064 PolarHBondContact O-N 2.95Å; Q1062-T1065 PolarHBondContact O-N 3.4Å; Q1062-T1065 PolarHBondContact O-OG1 3.41Å; Q1062-L1066 VanDerWaalsContact O-CB 3.31Å; Q1062-L1066 WeakPolarHBondContact O-CB 3.36Å; Q1062-L1066 PolarHBondContact O-N 3.08Å
1063Q87.2Confident82.4Confident96 Ų9636.2 Ų36.245%0.44918%0.176SC..Hα-helixtrans-65.4-34.7177.5-73.7-178-8.400113.3R1059 G1060 F1061 K1067 T1277R1059-Q1063 WeakPolarHBondContact O-CG 3.16Å; R1059-Q1063 PolarHBondContact O-N 3.34Å; G1060-Q1063 PolarHBondContact O-N 3.14Å; F1061-Q1063 PolarHBondContact O-N 3.44Å; Q1063-K1067 PolarHBondContact O-N 3.4Å; Q1063-T1277 HydrophobicContact CB-CG2 4.23Å
1064A88.9Confident83.4Confident0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-69.3-48.6175.500000111.9G1060 F1061 Q1062 L1066 K1067 G1068 T1277 C1280G1060-A1064 PolarHBondContact O-N 2.95Å; F1061-A1064 PolarHBondContact O-N 3.34Å; Q1062-A1064 PolarHBondContact O-N 2.95Å; A1064-L1066 VanDerWaalsContact C-N 3.32Å; A1064-L1066 PolarHBondContact O-N 3.03Å; A1064-K1067 PolarHBondContact O-N 3.14Å; A1064-G1068 PolarHBondContact O-N 3.33Å; A1064-T1277 HydrophobicContact CB-CG2 4.02Å; A1064-C1280 HydrophobicContact CB-CB 3.56Å
1065T91Very high84.4Confident0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-69.3-27.2-178.251.50000113.4N1005 F1061 Q1062 P1074 M1075 F1080N1005-T1065 HydrophobicContact CB-CG2 4.1Å; F1061-T1065 HydrophobicContact CD2-CG2 4.09Å; F1061-T1065 HydrophobicContact CE1-CG2 4.49Å; F1061-T1065 HydrophobicContact CE2-CG2 3.65Å; F1061-T1065 HydrophobicContact CZ-CG2 3.88Å; F1061-T1065 PolarHBondContact O-N 2.95Å; F1061-T1065 PolarHBondContact O-OG1 2.88Å; Q1062-T1065 PolarHBondContact O-N 3.4Å; Q1062-T1065 PolarHBondContact O-OG1 3.41Å; T1065-P1074 WeakPolarHBondContact O-CA 3.38Å; T1065-M1075 HydrophobicContact CG2-SD 4.06Å; T1065-M1075 PolarHBondContact O-N 2.89Å; T1065-F1080 HydrophobicContact CG2-CE2 4.05Å
1066L87.7Confident85.2Confident88 Ų8829.5 Ų29.546%0.46115%0.146SC..Hα-helixtrans-71.4-35.9173-177.362.6000112.8P999 Q1062 A1064 P1074P999-L1066 HydrophobicContact CB-CB 3.81Å; P999-L1066 HydrophobicContact CB-CD1 4.1Å; Q1062-L1066 VanDerWaalsContact O-CB 3.31Å; Q1062-L1066 WeakPolarHBondContact O-CB 3.36Å; Q1062-L1066 PolarHBondContact O-N 3.08Å; A1064-L1066 VanDerWaalsContact C-N 3.32Å; A1064-L1066 PolarHBondContact O-N 3.03Å; L1066-P1074 WeakPolarHBondContact O-CA 3.49Å
1067K82.6Confident85.7Confident131 Ų13129.5 Ų29.557%0.5715%0.147SC*.Hα-helixtrans-96.8-40.1-171.8-72.5-172176.7-176.50114.6Q1063 A1064 A1072 E1073Q1063-K1067 PolarHBondContact O-N 3.4Å; A1064-K1067 PolarHBondContact O-N 3.14Å; K1067-A1072 CarbonylContact O-C 3.58Å; K1067-A1072 WeakPolarHBondContact O-CA 3.49Å; K1067-E1073 CarbonylContact C-O 3.53Å; K1067-E1073 CarbonylContact O-C 3.49Å; K1067-E1073 PolarHBondContact O-N 3.48Å; K1067-E1073 VanDerWaalsContact O-O 3.05Å
1068G84Confident86.1Confident9 Ų929.3 Ų29.39%0.09315%0.145CC..  trans67.1150.4-175.200000114.6E801 A1064 E1073E801-G1068 VanDerWaalsContact OE2-C 3.28Å; E801-G1068 VanDerWaalsContact OE2-CA 3.32Å; E801-G1068 WeakPolarHBondContact OE2-CA 3.43Å; A1064-G1068 PolarHBondContact O-N 3.33Å; G1068-E1073 WeakPolarHBondContact CA-O 3.45Å
1069P82Confident86.3Confident12 Ų1228.2 Ų28.28%0.07814%0.14CC..SBendtrans-83.6-20.8178.529.3-35000116.1E801 M1075 I1281 F1284 Q1285 L1458E801-P1069 WeakPolarHBondContact OE2-CD 3.49Å; P1069-M1075 VanDerWaalsContact CD-CE 3.47Å; P1069-M1075 HydrophobicContact CG-CE 4.45Å; P1069-I1281 HydrophobicContact CB-CG2 4.2Å; P1069-F1284 HydrophobicContact CG-CB 4.19Å; P1069-F1284 HydrophobicContact CG-CD1 3.2Å; P1069-F1284 HydrophobicContact CG-CD2 4.45Å; P1069-F1284 HydrophobicContact CG-CE1 3.56Å; P1069-F1284 HydrophobicContact CG-CG 3.72Å; P1069-F1284 HydrophobicContact CG-CZ 4.33Å; P1069-Q1285 HydrophobicContact CB-CG 3.93Å; P1069-Q1285 HydrophobicContact CG-CG 4.25Å; P1069-L1458 VanDerWaalsContact O-CD2 3.28Å; P1069-L1458 WeakPolarHBondContact O-CD2 3.24Å
1070L79.5Confident86.5Confident4 Ų422.8 Ų22.82%0.02112%0.119CC..SBendtrans-83.1-68.5-170.6-59.6174.4000111.5E801 F1284 Q1290 L1292 P1377 L1378 R1447 L1458E801-L1070 HydrophobicContact CB-CD1 4.43Å; E801-L1070 HydrophobicContact CG-CB 4.27Å; E801-L1070 HydrophobicContact CG-CD1 4.4Å; E801-L1070 PolarHBondContact OE1-N 3.47Å; E801-L1070 WeakPolarHBondContact OE2-CB 3.39Å; E801-L1070 PolarHBondContact OE2-N 3.23Å; L1070-F1284 HydrophobicContact CD1-CE1 4.14Å; L1070-F1284 HydrophobicContact CD1-CZ 4.17Å; L1070-F1284 HydrophobicContact CD2-CE1 4.47Å; L1070-F1284 HydrophobicContact CG-CE1 4.06Å; L1070-F1284 HydrophobicContact CG-CZ 4.45Å; L1070-Q1290 HydrophobicContact CD1-CB 4.43Å; L1070-L1292 HydrophobicContact CB-CD2 4.21Å; L1070-L1292 HydrophobicContact CD1-CD2 3.77Å; L1070-L1292 HydrophobicContact CD1-CG 4.39Å; L1070-P1377 HydrophobicContact CD1-CG 4.1Å; L1070-L1378 HydrophobicContact CD2-CD2 4.46Å; L1070-R1447 PolarHBondContact O-NH1 3.38Å; L1070-L1458 HydrophobicContact CD2-CD1 4.14Å
1071C77.7Confident86.5Confident1 Ų122.9 Ų22.91%0.00712%0.12CC..SBendtrans-117.611.7-169.1-660000113.8E801 E1073 V1446 L1452E801-C1071 PolarHBondContact OE1-N 3.45Å; C1071-E1073 VanDerWaalsContact C-N 3.28Å; C1071-E1073 HydrophobicContact CB-CG 4.26Å; C1071-V1446 HydrophobicContact CB-CG1 4.34Å; C1071-L1452 WeakPolarHBondContact O-CD1 3.22Å
1072A81.2Confident86.2Confident31 Ų3122.9 Ų22.926%0.25612%0.12SC..SBendtrans57.841.2-167.200000112E801 K1067 K1450 L1452E801-A1072 PolarHBondContact OE1-N 3.21Å; K1067-A1072 CarbonylContact O-C 3.58Å; K1067-A1072 WeakPolarHBondContact O-CA 3.49Å; A1072-K1450 HydrophobicContact CB-CB 4.32Å; A1072-K1450 HydrophobicContact CB-CD 4.24Å; A1072-K1450 HydrophobicContact CB-CG 4.34Å; A1072-K1450 PolarHBondContact O-NZ 3.22Å; A1072-L1452 HydrophobicContact CB-CD1 3.83Å; A1072-L1452 HydrophobicContact CB-CD2 4.48Å; A1072-L1452 HydrophobicContact CB-CG 4.45Å
1073E83.6Confident85.5Confident14 Ų1422.7 Ų22.77%0.06512%0.119CC..  trans-117.7150.3175.9-73.3-62.9148.700112.3F799 R800 E801 K1067 G1068 C1071 K1450F799-E1073 HydrophobicContact CB-CG 4.18Å; R800-E1073 IonicContact NH1-OE2 2.93Å; R800-E1073 PolarHBondContact NH1-OE2 3.13Å; E801-E1073 HydrophobicContact CG-CB 4.24Å; E801-E1073 PolarHBondContact OE1-N 3.36Å; K1067-E1073 CarbonylContact C-O 3.53Å; K1067-E1073 CarbonylContact O-C 3.49Å; K1067-E1073 PolarHBondContact O-N 3.48Å; K1067-E1073 VanDerWaalsContact O-O 3.05Å; G1068-E1073 WeakPolarHBondContact CA-O 3.45Å; C1071-E1073 VanDerWaalsContact C-N 3.28Å; C1071-E1073 HydrophobicContact CB-CG 4.26Å; E1073-K1450 WeakPolarHBondContact OE1-CE 3.38Å; E1073-K1450 IonicContact OE1-NZ 2.72Å; E1073-K1450 PolarHBondContact OE1-NZ 2.91Å
1074P88.3Confident84.7Confident25 Ų2520.8 Ų20.816%0.16211%0.11CC..  trans-56.7139.2-178.1-25.232.4000114.4R800 E801 T1065 L1066R800-P1074 WeakPolarHBondContact CA-O 3.44Å; R800-P1074 VanDerWaalsContact CD-O 3.3Å; R800-P1074 WeakPolarHBondContact CD-O 3.38Å; E801-P1074 PolarHBondContact N-O 3.09Å; T1065-P1074 WeakPolarHBondContact O-CA 3.38Å; L1066-P1074 WeakPolarHBondContact O-CA 3.49Å
1075M90.8Very high83.7Confident3 Ų321.4 Ų21.42%0.01511%0.113CC..BIsolated β-bridgetrans-68.4148.9171.5-67.8176.3175.500111.3E801 N1005 T1065 P1069 I1078 F1080 F1284E801-M1075 CarbonylContact O-C 3.57Å; E801-M1075 VanDerWaalsContact O-CA 3.31Å; E801-M1075 WeakPolarHBondContact O-CA 3.5Å; N1005-M1075 PolarHBondContact ND2-O 3.13Å; T1065-M1075 HydrophobicContact CG2-SD 4.06Å; T1065-M1075 PolarHBondContact O-N 2.89Å; P1069-M1075 VanDerWaalsContact CD-CE 3.47Å; P1069-M1075 HydrophobicContact CG-CE 4.45Å; M1075-I1078 HydrophobicContact CB-CD1 3.88Å; M1075-I1078 HydrophobicContact CG-CD1 4.11Å; M1075-I1078 HydrophobicContact SD-CD1 4.27Å; M1075-F1080 HydrophobicContact CE-CZ 4.13Å; M1075-F1080 HydrophobicContact SD-CE2 3.82Å; M1075-F1080 HydrophobicContact SD-CZ 3.54Å; M1075-F1080 VanDerWaalsContact SD-CZ 3.54Å; M1075-F1284 HydrophobicContact CE-CB 4.08Å; M1075-F1284 HydrophobicContact CE-CD2 3.88Å; M1075-F1284 HydrophobicContact CE-CG 4.16Å; M1075-F1284 HydrophobicContact CG-CD2 4.47Å; M1075-F1284 HydrophobicContact CG-CE2 4.5Å; M1075-F1284 HydrophobicContact SD-CD2 4.33Å
1076Y89.7Confident82.4Confident16 Ų1623 Ų236%0.06312%0.123CC..  trans-145130.1-177.6-174.4-83.8000111.9R800 E801 T802 L932 E936 P1004 M1293 W1370R800-Y1076 HydrophobicContact CB-CG 4.37Å; R800-Y1076 HydrophobicContact CG-CD2 4.35Å; R800-Y1076 HydrophobicContact CG-CG 4.5Å; E801-Y1076 PolarHBondContact O-N 2.93Å; T802-Y1076 WeakPolarHBondContact CB-O 3.37Å; T802-Y1076 PolarHBondContact OG1-O 3.26Å; L932-Y1076 HydrophobicContact CD1-CE1 4.09Å; L932-Y1076 HydrophobicContact CD1-CE2 4.48Å; L932-Y1076 HydrophobicContact CD2-CD1 4.48Å; L932-Y1076 HydrophobicContact CD2-CE1 3.57Å; L932-Y1076 HydrophobicContact CG-CE1 4.41Å; E936-Y1076 WeakPolarHBondContact OE1-CE2 3.41Å; E936-Y1076 PolarHBondContact OE1-OH 2.97Å; P1004-Y1076 HydrophobicContact CB-CD2 3.94Å; P1004-Y1076 HydrophobicContact CB-CE2 4.02Å; P1004-Y1076 HydrophobicContact CB-CG 4.45Å; P1004-Y1076 HydrophobicContact CG-CD2 3.45Å; P1004-Y1076 VanDerWaalsContact CG-CD2 3.45Å; P1004-Y1076 HydrophobicContact CG-CE2 3.87Å; P1004-Y1076 HydrophobicContact CG-CG 4.15Å; Y1076-M1293 HydrophobicContact CD1-CE 4.08Å; Y1076-M1293 HydrophobicContact CD1-SD 3.36Å; Y1076-M1293 WeakPolarHBondContact CD1-SD 3.47Å; Y1076-M1293 HydrophobicContact CE1-CE 3.92Å; Y1076-M1293 HydrophobicContact CE1-SD 3.85Å; Y1076-M1293 HydrophobicContact CG-SD 4.13Å; Y1076-W1370 AromaticContact CE2-CD1 3.43Å; Y1076-W1370 VanDerWaalsContact CE2-CD1 3.43Å; Y1076-W1370 HydrophobicContact CE2-CG 4.22Å; Y1076-W1370 AromaticContact CE2-NE1 3.86Å; Y1076-W1370 AromaticContact CZ-CD1 3.63Å
1077G88Confident81.2Confident7 Ų720.1 Ų20.17%0.07211%0.112CC..SBendtrans79.431.2174.800000114.3M927 P1004 N1005M927-G1077 WeakPolarHBondContact CB-O 3.48Å; M927-G1077 PolarHBondContact N-O 3.32Å; P1004-G1077 WeakPolarHBondContact O-CA 3.48Å; P1004-G1077 PolarHBondContact O-N 3.41Å; N1005-G1077 PolarHBondContact OD1-N 3.41Å
1078I90Very high80Confident0 Ų015.5 Ų15.50%09%0.092CC..EExtended strand (participates in β ladder)trans-120.3131.3-170.2-44.1-172.7000112.8I803 A924 N1005 I1006 M1075 F1080 F1284I803-I1078 HydrophobicContact CD1-CG2 4.02Å; I803-I1078 HydrophobicContact CG1-CD1 4.48Å; I803-I1078 HydrophobicContact CG1-CG1 4.45Å; I803-I1078 HydrophobicContact CG1-CG2 4.41Å; A924-I1078 HydrophobicContact CB-CG2 4.32Å; N1005-I1078 CarbonylContact C-O 3.52Å; N1005-I1078 WeakPolarHBondContact CA-O 3.31Å; N1005-I1078 WeakPolarHBondContact CB-O 3.42Å; N1005-I1078 PolarHBondContact OD1-N 2.95Å; N1005-I1078 VanDerWaalsContact OD1-N 3.12Å; I1006-I1078 PolarHBondContact N-O 3.4Å; M1075-I1078 HydrophobicContact CB-CD1 3.88Å; M1075-I1078 HydrophobicContact CG-CD1 4.11Å; M1075-I1078 HydrophobicContact SD-CD1 4.27Å; I1078-F1080 HydrophobicContact CB-CD2 4.39Å; I1078-F1080 HydrophobicContact CB-CE2 3.86Å; I1078-F1080 HydrophobicContact CG2-CD2 3.9Å; I1078-F1080 HydrophobicContact CG2-CE2 3.45Å; I1078-F1080 VanDerWaalsContact CG2-CE2 3.45Å; I1078-F1080 HydrophobicContact CG2-CZ 3.8Å; I1078-F1284 HydrophobicContact CD1-CD2 3.52Å; I1078-F1284 HydrophobicContact CD1-CE2 3.46Å; I1078-F1284 VanDerWaalsContact CD1-CE2 3.46Å
1079V89.1Confident78.6Confident1 Ų116.6 Ų16.61%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-101.9117.2171.3-1750000109.3H925 M927 I985 I1006 I1008 V1081H925-V1079 HydrophobicContact CB-CB 4.42Å; H925-V1079 PolarHBondContact N-O 3.36Å; H925-V1079 PolarHBondContact O-N 3.26Å; M927-V1079 HydrophobicContact CB-CG2 3.87Å; M927-V1079 HydrophobicContact CG-CG2 3.96Å; M927-V1079 HydrophobicContact SD-CG2 4.21Å; I985-V1079 HydrophobicContact CD1-CG1 4.07Å; I1006-V1079 HydrophobicContact CB-CG1 4.41Å; I1006-V1079 HydrophobicContact CB-CG2 4.44Å; I1006-V1079 HydrophobicContact CD1-CG2 4.45Å; I1008-V1079 HydrophobicContact CD1-CG1 3.47Å; I1008-V1079 VanDerWaalsContact CD1-CG1 3.47Å; I1008-V1079 HydrophobicContact CG1-CG1 4Å; V1079-V1081 HydrophobicContact CG1-CG2 4.47Å
1080F89.7Confident77.2Confident0 Ų018.4 Ų18.40%011%0.105CC..EExtended strand (participates in β ladder)trans-98.1130.5173.1-71.6-88.9000110.3V922 T923 A924 I1006 L1007 I1008 F1061 T1065 M1075 I1078 C1280 A1283V922-F1080 HydrophobicContact CG1-CB 4.29Å; V922-F1080 HydrophobicContact CG1-CD1 3.89Å; T923-F1080 WeakPolarHBondContact O-CA 3.48Å; A924-F1080 HydrophobicContact CB-CD1 4.11Å; A924-F1080 HydrophobicContact CB-CE1 3.89Å; I1006-F1080 PolarHBondContact O-N 2.89Å; L1007-F1080 WeakPolarHBondContact CA-O 3.5Å; L1007-F1080 HydrophobicContact CD1-CB 3.83Å; I1008-F1080 PolarHBondContact N-O 3.09Å; F1061-F1080 HydrophobicContact CD2-CD2 4.4Å; F1061-F1080 HydrophobicContact CE2-CB 4.12Å; F1061-F1080 AromaticContact CE2-CD2 3.67Å; F1061-F1080 HydrophobicContact CE2-CD2 3.67Å; F1061-F1080 HydrophobicContact CE2-CE2 4.42Å; F1061-F1080 HydrophobicContact CE2-CG 4.11Å; T1065-F1080 HydrophobicContact CG2-CE2 4.05Å; M1075-F1080 HydrophobicContact CE-CZ 4.13Å; M1075-F1080 HydrophobicContact SD-CE2 3.82Å; M1075-F1080 HydrophobicContact SD-CZ 3.54Å; M1075-F1080 VanDerWaalsContact SD-CZ 3.54Å; I1078-F1080 HydrophobicContact CB-CD2 4.39Å; I1078-F1080 HydrophobicContact CB-CE2 3.86Å; I1078-F1080 HydrophobicContact CG2-CD2 3.9Å; I1078-F1080 HydrophobicContact CG2-CE2 3.45Å; I1078-F1080 VanDerWaalsContact CG2-CE2 3.45Å; I1078-F1080 HydrophobicContact CG2-CZ 3.8Å; F1080-C1280 HydrophobicContact CD1-CB 4.19Å; F1080-C1280 HydrophobicContact CE1-CB 3.89Å; F1080-C1280 WeakPolarHBondContact CE1-O 3.19Å; F1080-C1280 HydrophobicContact CZ-CB 4.44Å; F1080-A1283 HydrophobicContact CE1-CB 4.37Å
1081V85.9Confident75.7Confident2 Ų222.9 Ų22.91%0.01213%0.129CC..EExtended strand (participates in β ladder)trans-113.2119.2177.6-177.90000108.8V922 T923 I985 I1008 H1010 V1079 E1083V922-V1081 CarbonylContact C-O 3.55Å; V922-V1081 VanDerWaalsContact CA-O 3.31Å; V922-V1081 WeakPolarHBondContact CA-O 3.28Å; T923-V1081 PolarHBondContact N-O 2.63Å; T923-V1081 PolarHBondContact O-N 3.36Å; I985-V1081 HydrophobicContact CD1-CG2 4.02Å; I985-V1081 HydrophobicContact CG1-CG2 4.47Å; I1008-V1081 HydrophobicContact CB-CG2 4.41Å; H1010-V1081 WeakPolarHBondContact ND1-CG1 3.37Å; V1079-V1081 HydrophobicContact CG1-CG2 4.47Å; V1081-E1083 HydrophobicContact CG1-CG 4.07Å
1082L84.1Confident74.2Confident0 Ų028.5 Ų28.50%016%0.163CC..EExtended strand (participates in β ladder)trans-85.6107.9173.5177.462000108.7I920 V922 I1008 H1010 L1011 L1018 I1085I920-L1082 HydrophobicContact CG2-CD1 3.89Å; V922-L1082 HydrophobicContact CG2-CD1 4.01Å; I1008-L1082 PolarHBondContact O-N 2.88Å; H1010-L1082 PolarHBondContact N-O 3.34Å; L1011-L1082 HydrophobicContact CD1-CD2 3.92Å; L1011-L1082 HydrophobicContact CD1-CG 4.35Å; L1011-L1082 HydrophobicContact CD2-CG 4.1Å; L1011-L1082 HydrophobicContact CG-CD2 4.22Å; L1011-L1082 HydrophobicContact CG-CG 4.18Å; L1018-L1082 HydrophobicContact CD1-CD2 4.18Å; L1082-I1085 HydrophobicContact CD1-CD1 4.38Å; L1082-I1085 HydrophobicContact CD1-CG1 4.14Å; L1082-I1085 HydrophobicContact CD2-CD1 4.28Å
1083E75.2Confident72.2Confident37 Ų3729.3 Ų29.317%0.17316%0.163CC..EExtended strand (participates in β ladder)trans-91.7-51.9-169.9-65.6179.1164.700112R921 T923 V1081R921-E1083 HydrophobicContact CG-CB 4.26Å; R921-E1083 IonicContact CZ-OE2 3.73Å; R921-E1083 IonicContact NE-OE2 3.68Å; R921-E1083 PolarHBondContact NE-OE2 3.03Å; R921-E1083 IonicContact NH2-OE2 2.74Å; R921-E1083 PolarHBondContact NH2-OE2 2.89Å; R921-E1083 PolarHBondContact O-N 3Å; T923-E1083 WeakPolarHBondContact CG2-OE1 3.47Å; T923-E1083 WeakPolarHBondContact CG2-OE2 3.49Å; T923-E1083 PolarHBondContact OG1-OE1 2.85Å; V1081-E1083 HydrophobicContact CG1-CG 4.07Å
1084E69.1Low69.8Low55 Ų5538.4 Ų38.426%0.25720%0.203SC..EExtended strand (participates in β ladder)trans-146.9146.5-178.6-66.6-172.7175.500112.2L818 R921L818-E1084 WeakPolarHBondContact CD1-OE2 3.21Å; R921-E1084 HydrophobicContact CB-CB 4.45Å; R921-E1084 PolarHBondContact N-O 3.22Å
1085I69.6Low67.1Low14 Ų1444.2 Ų44.27%0.07223%0.231CC..EExtended strand (participates in β ladder)trans-125.5120.3165.6-61.1176.6000107.4I918 L919 I920 L1011 F1016 L1057 L1082I918-I1085 HydrophobicContact CG2-CG2 4.46Å; L919-I1085 WeakPolarHBondContact O-CA 3.49Å; I920-I1085 HydrophobicContact CG2-CG1 4.41Å; L1011-I1085 HydrophobicContact CD1-CD1 3.92Å; L1011-I1085 HydrophobicContact CD1-CG1 4.29Å; L1011-I1085 HydrophobicContact CD2-CG1 4.18Å; F1016-I1085 HydrophobicContact CD2-CG2 4.3Å; F1016-I1085 HydrophobicContact CE2-CG2 3.9Å; F1016-I1085 HydrophobicContact CZ-CG2 4.23Å; L1057-I1085 HydrophobicContact CD1-CD1 3.8Å; L1057-I1085 HydrophobicContact CD2-CD1 4.29Å; L1082-I1085 HydrophobicContact CD1-CD1 4.38Å; L1082-I1085 HydrophobicContact CD1-CG1 4.14Å; L1082-I1085 HydrophobicContact CD2-CD1 4.28Å
1086V63.2Low64.3Low33 Ų3347.7 Ų47.720%0.225%0.254CS..EExtended strand (participates in β ladder)trans-117.2130.4178.1-176.10000108.9L818 I918 L919 E1088L818-V1086 HydrophobicContact CB-CG2 3.85Å; L818-V1086 HydrophobicContact CD2-CG2 4.3Å; L818-V1086 HydrophobicContact CG-CG2 4.49Å; I918-V1086 CarbonylContact C-O 3.55Å; I918-V1086 VanDerWaalsContact CA-O 3.27Å; I918-V1086 WeakPolarHBondContact CA-O 3.47Å; L919-V1086 HydrophobicContact CB-CB 4.38Å; L919-V1086 PolarHBondContact N-O 3.06Å; L919-V1086 PolarHBondContact O-N 3.16Å; V1086-E1088 HydrophobicContact CG1-CG 3.88Å
1087A61.9Low61.3Low28 Ų2854.7 Ų54.723%0.23129%0.293CS..EExtended strand (participates in β ladder)trans-124.2128.1173.700000109.3R917 I918 W1263 L1264R917-A1087 CarbonylContact O-C 3.55Å; R917-A1087 WeakPolarHBondContact O-CA 3.15Å; I918-A1087 HydrophobicContact CG1-CB 4.38Å; A1087-W1263 HydrophobicContact CB-CH2 3.82Å; A1087-W1263 HydrophobicContact CB-CZ3 4.12Å; A1087-L1264 HydrophobicContact CB-CD1 4.19Å
1088E56.9Low58.6Low33 Ų3361.3 Ų61.315%0.15432%0.316CS..EExtended strand (participates in β ladder)trans-129.6148.8-174.6-51.1-171.5130.400111.7N820 T916 R917 V1086N820-E1088 PolarHBondContact ND2-OE1 3.1Å; T916-E1088 CarbonylContact C-O 3.58Å; T916-E1088 VanDerWaalsContact CA-O 3.26Å; T916-E1088 WeakPolarHBondContact CA-O 3.41Å; R917-E1088 HydrophobicContact CB-CB 4.42Å; R917-E1088 PolarHBondContact N-O 3.24Å; R917-E1088 PolarHBondContact O-N 3.47Å; V1086-E1088 HydrophobicContact CG1-CG 3.88Å
1089N54.3Low55.7Low33 Ų3366.4 Ų66.418%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-100.5128.2168.4-174-21.5000109.6R915 D1091 T1092 W1263R915-N1089 CarbonylContact O-C 3.47Å; R915-N1089 VanDerWaalsContact O-CA 3.31Å; R915-N1089 WeakPolarHBondContact O-CA 3.36Å; R915-N1089 PolarHBondContact O-OD1 2.8Å; R915-N1089 VanDerWaalsContact O-OD1 3.08Å; N1089-D1091 PolarHBondContact O-N 3.03Å; N1089-D1091 WeakPolarHBondContact OD1-CB 3.01Å; N1089-D1091 PolarHBondContact OD1-N 2.72Å; N1089-T1092 PolarHBondContact O-N 3.13Å; N1089-T1092 PolarHBondContact O-OG1 3.47Å; N1089-W1263 HydrophobicContact CB-CD2 4.19Å; N1089-W1263 HydrophobicContact CB-CE3 4.45Å; N1089-W1263 HydrophobicContact CB-CG 4.46Å
1090L53.6Low52.8Low49 Ų4973.4 Ų73.426%0.25739%0.389SS..G310 helixtrans-68.9-18.7179.3-81.398.7000113.4R915 R917 T1092 L1093R915-L1090 VanDerWaalsContact C-CD1 3.43Å; R915-L1090 PolarHBondContact O-N 3.29Å; R917-L1090 HydrophobicContact CG-CD1 3.88Å; L1090-T1092 PolarHBondContact O-N 3.27Å; L1090-T1092 VanDerWaalsContact O-N 3.1Å; L1090-L1093 PolarHBondContact O-N 3.31Å
1091D47.1Very low49.8Very low98 Ų9881 Ų8152%0.52443%0.43SS..G310 helixtrans-63.3-16.8176.3-70.8-32.7000112.5R915 N1089R915-D1091 IonicContact CZ-OD1 3.34Å; R915-D1091 IonicContact CZ-OD2 2.94Å; R915-D1091 VanDerWaalsContact NE-CG 3.26Å; R915-D1091 IonicContact NE-OD1 2.82Å; R915-D1091 PolarHBondContact NE-OD1 3.4Å; R915-D1091 IonicContact NE-OD2 3.32Å; R915-D1091 PolarHBondContact NE-OD2 2.74Å; R915-D1091 IonicContact NH2-OD1 3.32Å; R915-D1091 PolarHBondContact NH2-OD1 3.28Å; R915-D1091 IonicContact NH2-OD2 3.4Å; R915-D1091 PolarHBondContact NH2-OD2 2.83Å; N1089-D1091 PolarHBondContact O-N 3.03Å; N1089-D1091 WeakPolarHBondContact OD1-CB 3.01Å; N1089-D1091 PolarHBondContact OD1-N 2.72Å
1092T47.9Very low47Very low119 Ų11987.8 Ų87.873%0.7347%0.466SS*.G310 helixtrans-93.50.8171.533.50000114.9N1089 L1090N1089-T1092 PolarHBondContact O-N 3.13Å; N1089-T1092 PolarHBondContact O-OG1 3.47Å; L1090-T1092 PolarHBondContact O-N 3.27Å; L1090-T1092 VanDerWaalsContact O-N 3.1Å
1093L39.4Very low44.4Very low49 Ų4994 Ų9426%0.25750%0.504SS..  trans-114.7125.2-174.4-66.4173.5000112.4N820 L1090N820-L1093 HydrophobicContact CB-CD2 4.16Å; N820-L1093 VanDerWaalsContact CG-CD2 3.44Å; N820-L1093 WeakPolarHBondContact ND2-CD2 3.46Å; L1090-L1093 PolarHBondContact O-N 3.31Å
1094K33Very low42.1Very low205 Ų20598.2 Ų98.289%0.89153%0.533SS*.PPolyproline II helixtrans-71.5129.1167.9-69.2-178.6178.3178.70108.7
1095L31.4Very low40.1Very low147 Ų147102.7 Ų102.777%0.7756%0.564SS**PPolyproline II helixtrans-62.3143.8169.5-75.6122.4000110.3N1097L1095-N1097 PolarHBondContact O-N 3.07Å
1096P31.5Very low38Very low76 Ų76108.1 Ų108.149%0.49460%0.598SS.*PPolyproline II helixtrans-62.3123.2168.5-1931.6000109.7Y1098P1096-Y1098 HydrophobicContact CB-CE2 4.35Å; P1096-Y1098 PolarHBondContact O-N 3Å
1097N26.3Very low36.3Very low163 Ų163112.7 Ų112.787%0.87263%0.626SS**  trans-73.892169.8-77.1-18.6000108.6L1095 S1099L1095-N1097 PolarHBondContact O-N 3.07Å; N1097-S1099 PolarHBondContact O-N 3.41Å; N1097-S1099 VanDerWaalsContact O-N 3.14Å
1098Y31.5Very low34.7Very low145 Ų145117 Ų11757%0.56965%0.65SS**PPolyproline II helixtrans-60.7116.3165.6-78.5-85.7000108.8E831 P1096 N1100E831-Y1098 PolarHBondContact OE1-OH 3.26Å; P1096-Y1098 HydrophobicContact CB-CE2 4.35Å; P1096-Y1098 PolarHBondContact O-N 3Å; Y1098-N1100 PolarHBondContact O-N 3.5Å
1099S30.3Very low33.2Very low107 Ų107121.1 Ų121.175%0.74868%0.678SS**PPolyproline II helixtrans-69.3122.7177.349.40000110N1097 D1101N1097-S1099 PolarHBondContact O-N 3.41Å; N1097-S1099 VanDerWaalsContact O-N 3.14Å; S1099-D1101 PolarHBondContact O-N 3.35Å; S1099-D1101 VanDerWaalsContact O-N 3.17Å
1100N27.6Very low31.8Very low148 Ų148125.7 Ų125.779%0.79171%0.707SS**PPolyproline II helixtrans-57.9117.3174.9-71.5-34.3000111.1Y1098 N1102Y1098-N1100 PolarHBondContact O-N 3.5Å; N1100-N1102 PolarHBondContact O-N 2.93Å
1101D26.6Very low30.6Very low161 Ų161130.2 Ų130.286%0.86174%0.737SS**  trans-58.6114.3166.3-76.5-42.9000110.1S1099S1099-D1101 PolarHBondContact O-N 3.35Å; S1099-D1101 VanDerWaalsContact O-N 3.17Å
1102N26.7Very low29.8Very low144 Ų144132.3 Ų132.377%0.7775%0.748SS**  trans-153.354.1179.9-101.8-31.8000113.5N1100N1100-N1102 PolarHBondContact O-N 2.93Å
1103T28.6Very low29Very low129 Ų129132.3 Ų132.379%0.79174%0.744SS**  trans-162.2134.8161.144.30000108
1104T27.7Very low28.5Very low127 Ų127136.6 Ų136.678%0.77977%0.766SS**  cis-164.8129319.60000107.4
1105T26.8Very low28.6Very low148 Ų148133.8 Ų133.891%0.90876%0.761SS**  trans-111.1115.7160.741.20000109.9
1106T25.7Very low28.3Very low129 Ų129133.2 Ų133.279%0.79176%0.759SS**  trans-71.6122.9169.243.20000110.5
1107T28.1Very low28.2Very low128 Ų128136.4 Ų136.479%0.78577%0.772SS**  -175.2118.8125.925.70000113.5
1108T28Very low28.2Very low118 Ų118134.5 Ų134.572%0.72477%0.766SS**  trans40.998.5141.956.80000120.7
1109T24.5Very low28Very low121 Ų121134.7 Ų134.774%0.74278%0.775SS**  36.5118.1121.957.20000119.7
1110T25.5Very low27.7Very low128 Ų128133.9 Ų133.979%0.78577%0.769SS**  -175.8158.8106.725.40000113.7
1111T29.1Very low27.6Very low145 Ų145137.7 Ų137.789%0.8977%0.773SS**  trans78.4138.1172.872.60000116.1
1112N29.3Very low27.5Very low141 Ų141137.5 Ų137.575%0.75477%0.767SS**  trans-142.1154.5-160.4-157.416.4000109.8
1113N31.1Very low27.5Very low120 Ų120135.9 Ų135.964%0.64276%0.758SS**  trans70109.5165-61.8-21.6000120.1
1114N28.9Very low27.3Very low138 Ų138138.6 Ų138.674%0.73876%0.759SS**  40.9115115.3-54.5-9000118.8
1115N34.8Very low27.2Very low146 Ų146137.4 Ų137.478%0.78176%0.756SS**  176.4126.8115.9-87.9-33.9000112.4
1116N27Very low27.2Very low135 Ų135137.7 Ų137.772%0.72275%0.746SS**  trans43.3144.2139.6-56.2-16.2000123.3
1117N28.7Very low27.1Very low144 Ų144140.2 Ų140.277%0.7775%0.749SS**  trans89.6106.8154.1-59.3-21.5000117.8
1118V25.4Very low27Very low122 Ų122139 Ų13974%0.73975%0.746SS**  87.9140.672162.70000113.5
1119I27.1Very low26.8Very low149 Ų149140.4 Ų140.476%0.76475%0.749SS**  trans87.590.2163.2-80.1161.4000120.4
1120S24.3Very low26.9Very low90 Ų90142 Ų14263%0.62975%0.752SS**  46.8148.9120.976.90000125.6
1121R26.6Very low26.9Very low229 Ų229141.1 Ų141.186%0.86474%0.742SS**  trans99.8142156.3-66.5176.1173150-1.4116.1
1122E23.8Very low26.7Very low157 Ų157140.1 Ų140.173%0.73473%0.731SS**  cis177.5153.2-24.2-141.8-179.6-124.500105.9
1123N26.2Very low26.5Very low110 Ų110140.7 Ų140.759%0.58873%0.729SS**  trans82.395.4158.9-60.5-50.8000123.3
1124K25.4Very low26.3Very low186 Ų186142.5 Ų142.581%0.80974%0.738SS**  81.2117.5119.9-69.3177.2-177.3176.50122.9
1125S24.7Very low26.3Very low101 Ų101140.7 Ų140.771%0.70674%0.742SS**  105.4141.6128.272.90000120.6
1126H27.8Very low26Very low155 Ų155138 Ų13872%0.71874%0.74SS**  trans68.978.7175.6-57.8-62.7000117
1127E24.1Very low26.1Very low182 Ų182137.3 Ų137.385%0.8574%0.743SS**  73.369.580.7-67.4-170.3144.800114.8
1128S24.1Very low25.9Very low102 Ų102137.4 Ų137.471%0.71374%0.743SS**  trans-152.2148.215160.80000110.1
1129N24.3Very low26.1Very low148 Ų148137.8 Ų137.879%0.79175%0.748SS**  trans31.4151.5152.9-58.4-35.1000122.7
1130I27.8Very low26.2Very low155 Ų155137.5 Ų137.580%0.79575%0.747SS**  trans91.694.8163-50162.4000115.9
1131N23.6Very low26.4Very low109 Ų109140.5 Ų140.558%0.58375%0.751SS**  25.6120.2128.1-66.4-23.7000119.2K1470N1131-K1470 PolarHBondContact OD1-NZ 3.12Å
1132N25.6Very low26.3Very low123 Ų123135.1 Ų135.166%0.65874%0.74SS**  163.1130.192-108.515.6000114.6
1133E25.5Very low26.5Very low153 Ų153134 Ų13472%0.71574%0.738SS**  67151.6129.2-98.9173.4170.100126.6
1134L27.2Very low26.5Very low159 Ų159136.8 Ų136.883%0.83275%0.745SS**  trans73.4149.4158.3-63.4154.1000116.9
1135A28.4Very low26.4Very low100 Ų100134.9 Ų134.983%0.82674%0.743SS**  cis-144.8179.924.800000115.1
1136A27.7Very low26.4Very low88 Ų88134.8 Ų134.873%0.72774%0.743SS**  trans-92.8-165.6-164.700000116
1137P29.3Very low26.3Very low122 Ų122134.4 Ų134.479%0.79274%0.744SS**  -139.9130.4107.736.2-23.1000117.6
1138L25.5Very low26.3Very low146 Ų146133 Ų13376%0.76474%0.742SS**  trans27140.3137.9-55174.3000123.3
1139P28.4Very low26.3Very low130 Ų130132.6 Ų132.684%0.84474%0.739SS**  trans-117.9151.7135.136.6-28.1000112.7
1140L30.2Very low26.2Very low143 Ų143130.3 Ų130.375%0.74974%0.735SS**  trans-115.4118.6-175.1-101.8156.3000113.4
1141E27.9Very low26Very low153 Ų153128.9 Ų128.972%0.71573%0.733SS**  trans54130136.1-82.1-165.7-175.600125.6
1142N25.3Very low26Very low116 Ų116127.8 Ų127.862%0.6274%0.74SS**  76.6102128.1-76.9-28.6000122.6
1143L27.6Very low26Very low134 Ų134127.9 Ų127.970%0.70275%0.745SS**  162.8128.291.4-93.1147.6000115.2
1144K25.7Very low25.9Very low167 Ų167126.7 Ų126.773%0.72675%0.748SS**  trans48.4116.7143.5-73172.6-169.1169.70122.2
1145N24.5Very low25.7Very low146 Ų146125.5 Ų125.578%0.78175%0.752SS**  86.5135.8125.1-65.20.1000122
1146S24.9Very low25.5Very low99 Ų99125.4 Ų125.469%0.69275%0.745SS**  trans88.698.2145.982.10000120.9
1147I25.5Very low25.5Very low147 Ų147126.4 Ų126.475%0.75474%0.742SS**  72.9103.9110-69.8164.3000117.8
1148L23.6Very low25.2Very low152 Ų152126.8 Ų126.880%0.79674%0.737SS**  trans67.2131.9133.8-84.8135.6000122.8
1149S23.3Very low25.4Very low94 Ų94127.6 Ų127.666%0.65774%0.743SS**  trans79.6108.9136.263.40000121.2
1150S22.9Very low25.3Very low100 Ų100130.7 Ų130.770%0.69974%0.743SS**  78144.7122.264.40000122.4
1151T24.2Very low25.5Very low125 Ų125128.6 Ų128.677%0.76774%0.738SS**  trans66.892.8151.546.10000120.1
1152A22.9Very low25.5Very low87 Ų87128.4 Ų128.472%0.71974%0.742SS**  67162.7110.600000121.8
1153T25.9Very low25.5Very low125 Ų125129.6 Ų129.677%0.76775%0.748SS**  trans74.696.5169.153.80000118.9
1154T22.8Very low25.6Very low127 Ų127132.5 Ų132.578%0.77976%0.758SS**  40.6117125.456.50000119.6
1155C23.4Very low25.5Very low134 Ų134131.9 Ų131.991%0.90576%0.762SS**  -161165.9112.3-107.10000112.4
1156S23.9Very low25.6Very low98 Ų98133 Ų13369%0.68577%0.767SS**  trans-97-176.2-162.347.80000115.2
1157T27.2Very low25.6Very low110 Ų110132.3 Ų132.368%0.67576%0.762SS**  trans96.810815861.10000119.5
1158D24.8Very low25.7Very low129 Ų129132.3 Ų132.369%0.6976%0.764SS**  61.4110.4125.3-46.1-26.3000120.5
1159N29.2Very low25.8Very low164 Ų164134.2 Ų134.288%0.87777%0.766SS**  -179142.292-88.5-61.4000113.1
1160K25.8Very low25.9Very low195 Ų195135.2 Ų135.285%0.84877%0.771SS**  trans-97.3179165.5-103.8-176.5178.8-177.40108.6
1161P34.1Very low26Very low98 Ų98138.6 Ų138.664%0.63677%0.773SS**  cis-129.3-174.3-22.727-3.7000111.5
1162D28.8Very low26Very low149 Ų149143.2 Ų143.280%0.79778%0.777SS**  175152.4114.6-93.6-17000114.4
1163N25.3Very low26.2Very low141 Ų141148.2 Ų148.275%0.75478%0.782SS**  trans-86.5156.4-173.4-67.5-50.6000113.3
1164Q28.2Very low26.1Very low195 Ų195148.1 Ų148.191%0.91179%0.787SS**  -158.9117.9129.6-113.5160.862.600112.5
1165L23.9Very low26.3Very low154 Ų154150.7 Ų150.781%0.80679%0.787SS**  trans-72.2145.7162.4-76.694.4000109.5
1166L27.3Very low26.3Very low169 Ų169155.2 Ų155.289%0.88579%0.785SS**  trans-142.3110.1145.6-105.4169.7000109.7
1167S24.5Very low26.4Very low85 Ų85158.3 Ų158.359%0.59479%0.793SS**  trans-76.5157.6174.356.10000111
1168N28Very low26.2Very low147 Ų147158.4 Ų158.479%0.78679%0.794SS**  -166.7106.9128.5-99.9-40.6000114.8
1169K24.8Very low26.3Very low193 Ų193157 Ų15784%0.83979%0.794SS**  trans-5129.5152.6-64.3164.5175.4171.50117.8
1170C26Very low26.1Very low115 Ų115153.9 Ų153.978%0.77778%0.776SS**  trans-155.598.3133.4-123.40000116.5
1171K25.9Very low26Very low171 Ų171149.5 Ų149.574%0.74377%0.77SS**  trans57.6119.9130.5-66.9177.5-178.4171.90121.6
1172R24.3Very low25.6Very low221 Ų221151.9 Ų151.983%0.83477%0.767SS**  trans76.1104.9136.6-65.1171.7170.2174.9-5.3119.1
1173K25.5Very low25.5Very low192 Ų192151.4 Ų151.484%0.83576%0.763SS**  -171.295.593.2-97168.7-174.7172.80110.6K1175K1173-K1175 PolarHBondContact O-N 3.4Å
1174S24.9Very low25.5Very low123 Ų123149.5 Ų149.586%0.8675%0.753SS**  trans-69.4113.9160.9-176.50000108
1175K27.6Very low25.6Very low181 Ų181142.2 Ų142.279%0.78772%0.72SS**  trans-113.3110.9162.5-87.1-165.7170.2-167.30107K1173 L1177K1173-K1175 PolarHBondContact O-N 3.4Å; K1175-L1177 PolarHBondContact O-N 3Å; K1175-L1177 VanDerWaalsContact O-N 3.15Å
1176R22.4Very low25.7Very low229 Ų229142 Ų14286%0.86472%0.721SS**  trans-47.6119.3164.8-75.1175.8168.6169.5-5.5109
1177L26.3Very low25.5Very low164 Ų164137.5 Ų137.586%0.85970%0.695SS**  trans-124.273.6154.3-87.7170.3000107.1K1175 S1179K1175-L1177 PolarHBondContact O-N 3Å; K1175-L1177 VanDerWaalsContact O-N 3.15Å; L1177-S1179 PolarHBondContact O-N 3.29Å
1178T22.4Very low25.7Very low111 Ų111136.8 Ų136.868%0.68168%0.683SS**  trans-67100.3160.244.20000108.2
1179S26.9Very low25.6Very low101 Ų101132.6 Ų132.671%0.70666%0.659SS**  trans-11697.4157.154.40000106.3L1177L1177-S1179 PolarHBondContact O-N 3.29Å
1180I25.7Very low25.6Very low97 Ų97127.7 Ų127.750%0.49764%0.639SS.*  51.49476.1-53.8175.9000108.1W1182I1180-W1182 HydrophobicContact CG2-CG 4.45Å
1181S24.5Very low25.6Very low104 Ų104125.1 Ų125.173%0.72762%0.617SS**  cis72.873.124.290.10000116.1
1182W25.8Very low25.7Very low148 Ų148124.5 Ų124.556%0.56161%0.611SS**  trans-152.2157.8160.8-71.1106.2000111.1I1180 I1188I1180-W1182 HydrophobicContact CG2-CG 4.45Å; W1182-I1188 HydrophobicContact CH2-CB 4.39Å; W1182-I1188 HydrophobicContact CH2-CD1 4.36Å; W1182-I1188 HydrophobicContact CH2-CG2 3.65Å; W1182-I1188 HydrophobicContact CZ3-CB 3.79Å; W1182-I1188 HydrophobicContact CZ3-CD1 3.7Å; W1182-I1188 HydrophobicContact CZ3-CG1 4.35Å; W1182-I1188 HydrophobicContact CZ3-CG2 3.56Å
1183L26.4Very low25.7Very low138 Ų138121.4 Ų121.472%0.72361%0.606SS**  trans80.468170.3-53.8171.3000117.3
1184D24.7Very low25.8Very low101 Ų101117.9 Ų117.954%0.5461%0.605SS.*SBendtrans-131.435.5142.4-133.41.9000108.5R1059R1059-D1184 IonicContact CZ-OD2 3.02Å; R1059-D1184 IonicContact NE-OD2 2.99Å; R1059-D1184 IonicContact NH2-OD2 3.96Å; R1059-D1184 PolarHBondContact NH2-OD2 3.45Å
1185D29.4Very low25.8Very low42 Ų42117.2 Ų117.223%0.22560%0.601CS.*  trans-141.9124.9-168.8-59.4-74.6000112.6G619 E1187G619-D1185 PolarHBondContact N-OD1 2.7Å; D1185-E1187 HydrophobicContact CB-CB 4.29Å; D1185-E1187 WeakPolarHBondContact CB-O 3.48Å; D1185-E1187 PolarHBondContact O-N 3.38Å
1186D25.9Very low25.8Very low151 Ų151114.1 Ų114.181%0.80760%0.602SS**SBendtrans-80.234.7154.7-77.9-29.2000109.8K552K552-D1186 IonicContact NZ-OD2 3.05Å; K552-D1186 PolarHBondContact NZ-OD2 3.05Å
1187E24.7Very low25.9Very low73 Ų73112.4 Ų112.434%0.34160%0.604SS.*  trans-144.1151.2-172.4-58.2-169.7109.600108.4S617 D1185S617-E1187 VanDerWaalsContact CB-CD 3.4Å; S617-E1187 VanDerWaalsContact CB-OE1 3.31Å; S617-E1187 WeakPolarHBondContact CB-OE1 3.33Å; S617-E1187 WeakPolarHBondContact CB-OE2 3.4Å; S617-E1187 WeakPolarHBondContact O-CB 3.27Å; S617-E1187 PolarHBondContact OG-OE1 3.2Å; S617-E1187 PolarHBondContact OG-OE2 3.05Å; D1185-E1187 HydrophobicContact CB-CB 4.29Å; D1185-E1187 WeakPolarHBondContact CB-O 3.48Å; D1185-E1187 PolarHBondContact O-N 3.38Å
1188I27.2Very low26Very low70 Ų70113.5 Ų113.536%0.35960%0.604SS.*  trans82.773.3-177.1-42160000115.3V618 W1182V618-I1188 HydrophobicContact CG2-CD1 4.35Å; W1182-I1188 HydrophobicContact CH2-CB 4.39Å; W1182-I1188 HydrophobicContact CH2-CD1 4.36Å; W1182-I1188 HydrophobicContact CH2-CG2 3.65Å; W1182-I1188 HydrophobicContact CZ3-CB 3.79Å; W1182-I1188 HydrophobicContact CZ3-CD1 3.7Å; W1182-I1188 HydrophobicContact CZ3-CG1 4.35Å; W1182-I1188 HydrophobicContact CZ3-CG2 3.56Å
1189E25.7Very low26.1Very low60 Ų60114.1 Ų114.128%0.2861%0.608SS.*  trans-76.4160.7130.8-130.4177.6-145.500109R744 I757R744-E1189 IonicContact CZ-OE2 2.63Å; R744-E1189 IonicContact NE-OE2 3.34Å; R744-E1189 PolarHBondContact NE-OE2 3.1Å; R744-E1189 IonicContact NH2-OE2 2.72Å; R744-E1189 PolarHBondContact NH2-OE2 2.97Å; I757-E1189 HydrophobicContact CD1-CG 3.3Å; I757-E1189 WeakPolarHBondContact CD1-OE1 3.09Å; I757-E1189 HydrophobicContact CG1-CG 3.93Å; I757-E1189 VanDerWaalsContact CG1-OE1 3.32Å; I757-E1189 WeakPolarHBondContact CG1-OE1 3.36Å
1190H26.2Very low26.3Very low90 Ų90117.2 Ų117.242%0.41762%0.617SS.*  trans79.294.6-177.2-58-82.2000118.3E740 R744E740-H1190 IonicContact OE1-CE1 2.73Å; E740-H1190 PolarHBondContact OE1-CE1 3.02Å; E740-H1190 IonicContact OE1-CG 3.24Å; E740-H1190 IonicContact OE1-ND1 2.85Å; E740-H1190 PolarHBondContact OE1-ND1 3.39Å; E740-H1190 IonicContact OE1-NE2 2.79Å; E740-H1190 PolarHBondContact OE1-NE2 3.06Å; E740-H1190 IonicContact OE2-CE1 3.13Å; R744-H1190 PolarHBondContact NH1-ND1 3.08Å; R744-H1190 PolarHBondContact NH1-NE2 3.04Å; R744-H1190 PolarHBondContact NH2-CD2 3.43Å; R744-H1190 PolarHBondContact NH2-CE1 3.46Å; R744-H1190 VanDerWaalsContact NH2-CE1 3.33Å; R744-H1190 VanDerWaalsContact NH2-CG 3.3Å; R744-H1190 PolarHBondContact NH2-ND1 2.99Å
1191L25.3Very low26.4Very low60 Ų60120.5 Ų120.531%0.31463%0.63SS.*  149.5115.197.3-89.1141.1000116.5R614R614-L1191 HydrophobicContact CG-CD1 3.35Å; R614-L1191 VanDerWaalsContact CZ-CB 3.45Å
1192Y27.2Very low26.7Very low159 Ų159122.8 Ų122.862%0.62463%0.634SS**  trans-150144.6149.6-76.2-80.7000105.2
1193H25.1Very low27.1Very low156 Ų156121 Ų12172%0.72264%0.644SS**  cis-131.4175.81.1-81.3-74.7000107.4
1194S27.4Very low27.2Very low117 Ų117121.2 Ų121.282%0.81865%0.646SS**  -176.7-173.763.351.60000111.6
1195S24.4Very low27.8Very low110 Ų110124.2 Ų124.277%0.76966%0.662SS**  trans-124.7140.2-153.551.30000115.8
1196S27.8Very low27.9Very low116 Ų116129 Ų12981%0.81169%0.687SS**  trans-154.7116.3155.9-50.10000106
1197E25Very low28.4Very low192 Ų192129.9 Ų129.990%0.89769%0.692SS**  75.4152.377.5-72-161.9168.400115.2
1198E28Very low28.7Very low187 Ų187134.7 Ų134.787%0.87472%0.72SS**  trans78.6104.5-165.4-56.7178.5-170.800113.5
1199V25.6Very low29Very low125 Ų125135 Ų13576%0.75874%0.741SS**  cis74.510244.7-172.80000113.4
1200D31.2Very low29.1Very low166 Ų166138.5 Ų138.589%0.88876%0.761SS**  trans-155.3157.3140.6-101.5-31.1000110
1201Q26.9Very low29.2Very low165 Ų165145.6 Ų145.677%0.77179%0.785SS**  trans-111.6-172.1-166.6-69.5179.5-113.200113
1202D31.9Very low29.2Very low152 Ų152147.5 Ų147.581%0.81380%0.802SS**  trans85.2135.5170.4-53-18.1000116.1
1203S32.6Very low29.2Very low110 Ų110145.1 Ų145.177%0.76981%0.808SS**  cis-160.8153.3-13.650.70000109.7
1204D30.1Very low29.3Very low143 Ų143145.7 Ų145.777%0.76582%0.817SS**  trans-65.1150.4174.3-61.8-66.7000112.6
1205D36Very low29.1Very low165 Ų165145.8 Ų145.888%0.88282%0.817SS**  -167153121.8-102.5-29.9000112.4
1206N32.6Very low29.2Very low141 Ų141145.6 Ų145.675%0.75482%0.816SS**  trans-107.3150.7-171.9-57.8-98.9000111
1207D35.6Very low29.1Very low171 Ų171149 Ų14991%0.91482%0.819SS**  trans-155.5124.7146.9-109-28.3000111.7
1208D31.8Very low29.1Very low174 Ų174147.4 Ų147.493%0.9382%0.817SS**  trans-85.3113.1-178.4-87.8-46.9000111.4
1209G33.8Very low29Very low76 Ų76146.8 Ų146.878%0.78481%0.814SS**  trans-117.181.9176.900000112.9
1210N27.4Very low28.9Very low134 Ų134148.6 Ų148.672%0.71782%0.82SS**  trans-49.9135.7172.9172.438.1000112.5
1211W27.7Very low28.6Very low239 Ų239143.8 Ų143.891%0.90580%0.799SS**  trans-168.1107.9134-102.331.2000111.9
1212C26.1Very low28.6Very low99 Ų99146.7 Ų146.767%0.66980%0.803SS**  trans31.3138.4143.1-61.30000124
1213S26.9Very low28.4Very low109 Ų109144.4 Ų144.476%0.76280%0.799SS**  trans64.2126156.350.50000118.3
1214D26Very low28.1Very low168 Ų168144 Ų14490%0.89879%0.788SS**  cis-126.5132.75-93.8-32000112
1215S24.9Very low27.9Very low119 Ų119148.5 Ų148.583%0.83279%0.794SS**  trans-101107.8-179.458.40000112
1216S26.2Very low27.5Very low107 Ų107149.7 Ų149.775%0.74879%0.792SS**  trans-140.491.7150.570.40000110.3N1218S1216-N1218 PolarHBondContact O-N 2.66Å
1217E24Very low27.1Very low186 Ų186148 Ų14887%0.86979%0.791SS**  trans-51.9127.2162.1-56.1167.1146.300108.9
1218N26.5Very low26.9Very low159 Ų159145.8 Ų145.885%0.8578%0.779SS**  trans-163.4141.1158-93.8-56.9000110.7S1216S1216-N1218 PolarHBondContact O-N 2.66Å
1219E25.3Very low26.5Very low175 Ų175143.4 Ų143.482%0.81877%0.771SS**  trans-68.7140.3-166.7-57.5171.1147.100114.5
1220D23.6Very low26.3Very low163 Ų163149 Ų14987%0.87278%0.776SS**  trans21.997.9146.4-58.2-20.7000119.1
1221S25.2Very low26.2Very low65 Ų65150.3 Ų150.346%0.45578%0.784SS.*  trans-16894.4157.7420000114.6
1222R26.5Very low26.1Very low226 Ų226144.1 Ų144.185%0.85378%0.777SS**  trans-142.2131.1159.7-74.3-169.1177.21622.5111.3
1223S27.7Very low26.1Very low104 Ų104146.5 Ų146.573%0.72778%0.783SS**  trans-147.4138.1172.8600000110.1E623E623-S1223 WeakPolarHBondContact OE2-CA 3.4Å; E623-S1223 WeakPolarHBondContact OE2-CB 3.39Å
1224D26.6Very low26.1Very low102 Ų102147.9 Ų147.955%0.54579%0.787SS.*  trans83.861.1137.3-61.9-18.6000118.1E623E623-D1224 VanDerWaalsContact CD-OD2 3.29Å; E623-D1224 WeakPolarHBondContact OE2-CA 3.44Å; E623-D1224 WeakPolarHBondContact OE2-CB 3.32Å; E623-D1224 VanDerWaalsContact OE2-CG 3.28Å; E623-D1224 PolarHBondContact OE2-N 2.96Å
1225R25.8Very low26.2Very low237 Ų237144 Ų14489%0.89478%0.778SS**  trans-98.7110.4167.8-80.5-168.4-179.6-168.61.3111.7
1226F27.6Very low26.2Very low189 Ų189144.7 Ų144.783%0.82978%0.777SS**  trans-102132.1155.5-91-87.1000111.1
1227S24.8Very low26.2Very low105 Ų105145.1 Ų145.173%0.73478%0.775SS**  trans-107.6111177.151.60000110.6
1228D30.1Very low26.2Very low125 Ų125144.3 Ų144.367%0.66877%0.771SS**  trans-102.6105.7164.8-68.2-24.7000107.4K953K953-D1228 IonicContact NZ-OD2 3.92Å; K953-D1228 PolarHBondContact NZ-OD2 3.26Å; K953-D1228 VanDerWaalsContact NZ-OD2 3.07Å
1229V24.7Very low26.2Very low125 Ų125145.1 Ų145.176%0.75878%0.775SS**  trans-126.6102.4169.7175.80000107.6
1230E28.1Very low26.1Very low192 Ų192142 Ų14290%0.89777%0.773SS**  trans-132.2136.5164.8-72.5-161.2149.900110.5S1232E1230-S1232 PolarHBondContact O-N 2.97Å
1231N27.3Very low26Very low163 Ų163143.2 Ų143.287%0.87277%0.773SS**  trans-75.9122.9-175.5-72.7-52000110.8
1232S24.6Very low25.9Very low108 Ų108149.2 Ų149.276%0.75580%0.796SS**  trans-80.9144.1165.456.10000111E1230E1230-S1232 PolarHBondContact O-N 2.97Å
1233N26.8Very low25.9Very low150 Ų150147.6 Ų147.680%0.80280%0.798SS**  trans-155.7135.2155.7-106.9-38.4000110.7
1234T26.9Very low25.7Very low138 Ų138149.4 Ų149.485%0.84781%0.805SS**  trans65.3130.717059.80000117.8
1235A27.2Very low25.6Very low86 Ų86149.9 Ų149.971%0.71182%0.815SS**  cis-161.3140.4-8.700000112.4
1236V24.8Very low25.7Very low133 Ų133146.3 Ų146.381%0.80681%0.807SS**  trans51.4121.1136.9-170.60000117.5
1237V27Very low25.9Very low116 Ų116143.2 Ų143.270%0.70380%0.798SS**  -158.5125.883.6161.30000111.9
1238Q24Very low26.1Very low170 Ų170144.5 Ų144.579%0.79480%0.802SS**  trans42.3100.7147.4-58.9167.5-2.500121
1239N26.3Very low26.3Very low176 Ų176142 Ų14294%0.94179%0.792SS**  -165.798.1125.7-97.8-26.9000109.5
1240S21.9Very low26.7Very low109 Ų109143.8 Ų143.876%0.76279%0.789SS**  trans-102116.5-173.652.60000111.7
1241E22Very low27Very low188 Ų188143.5 Ų143.588%0.87979%0.788SS**SBendtrans170.750.7148.4-98.3175.1-147.100113.8
1242M24.6Very low27.2Very low191 Ų191139.9 Ų139.994%0.94177%0.768SS**SBendtrans-16117.7161.8-119.4176.2-139.300119.4
1243E25.2Very low27.5Very low192 Ų192136.9 Ų136.990%0.89775%0.746SS**  trans-125.974.2-176.9-67.2-168.1148.500114.3
1244T24.2Very low27.7Very low142 Ų142137.4 Ų137.487%0.87174%0.737SS**  trans-146.750.5172.1470000113.4
1245C24.7Very low28.1Very low112 Ų112136.5 Ų136.576%0.75772%0.719SS**SBendtrans-156.228.2176.7-142.80000117.7
1246F28.2Very low28.6Very low163 Ų163138.2 Ų138.272%0.71571%0.712SS**SBendtrans-119-7.1-172.7-89.7-74.8000118.6
1247D29.8Very low29Very low123 Ų123138.7 Ų138.766%0.65870%0.699SS**SBendtrans-98.8-5.2-172.9-80.2-53.9000117.5K1250D1247-K1250 IonicContact OD1-NZ 3.33Å; D1247-K1250 PolarHBondContact OD1-NZ 2.89Å
1248T30.3Very low29.2Very low132 Ų132143.6 Ų143.681%0.8171%0.705SS**SBendtrans-97.311.3-174.948.50000115.8
1249T33.1Very low29.8Very low74 Ų74138.1 Ų138.145%0.45469%0.686SS.*  trans-119.211.9-174.862.90000115.5R1257T1249-R1257 PolarHBondContact O-NH2 2.81Å
1250K34.1Very low30.6Very low161 Ų161137 Ų13770%0.768%0.68SS**THydrogen-bonded Turntrans-77.7-12.8-178.2-75.1169.1178.3157.80114.7D1247D1247-K1250 IonicContact OD1-NZ 3.33Å; D1247-K1250 PolarHBondContact OD1-NZ 2.89Å
1251E33.9Very low31.9Very low186 Ų186135.6 Ų135.687%0.86966%0.662SS**THydrogen-bonded Turntrans-100.1-7-171.8-62.6-170152.700116.2
1252I32.1Very low33.1Very low87 Ų87130 Ų13045%0.44665%0.648SS.*SBendtrans-96117.6-176.8-55176.3000111.1Q1256 R1257I1252-Q1256 HydrophobicContact CG2-CB 3.78Å; I1252-R1257 HydrophobicContact CG2-CG 4.09Å; I1252-R1257 PolarHBondContact O-NE 3.18Å; I1252-R1257 PolarHBondContact O-NH2 3.29Å
1253P29.7Very low34.2Very low46 Ų46123.8 Ų123.830%0.29961%0.614SS.*  trans-64.1151.1178.127.3-35000112.3W1255 Q1256P1253-W1255 VanDerWaalsContact C-N 3.3Å; P1253-W1255 HydrophobicContact CB-CD2 4.17Å; P1253-W1255 HydrophobicContact CB-CE3 4.38Å; P1253-W1255 HydrophobicContact CB-CH2 3.87Å; P1253-W1255 HydrophobicContact CB-CZ2 3.61Å; P1253-W1255 HydrophobicContact CB-CZ3 4.25Å; P1253-W1255 HydrophobicContact CG-CZ2 3.92Å; P1253-W1255 PolarHBondContact O-N 3.31Å; P1253-W1255 VanDerWaalsContact O-N 3.14Å; P1253-Q1256 HydrophobicContact CG-CG 4.43Å; P1253-Q1256 PolarHBondContact O-N 3.05Å
1254Y31Very low35.6Very low160 Ų160116.3 Ų116.363%0.62758%0.58SS**G310 helixtrans-59.7-36.7-161.7102.5-89.4000113.9Q1256 R1257Y1254-Q1256 PolarHBondContact O-N 3.49Å; Y1254-R1257 PolarHBondContact O-N 2.74Å
1255W35.3Very low37Very low120 Ų120115.8 Ų115.846%0.45557%0.567SS.*G310 helixtrans-70.9-11.2-178.758.979.4000114.9P1253 R1258P1253-W1255 VanDerWaalsContact C-N 3.3Å; P1253-W1255 HydrophobicContact CB-CD2 4.17Å; P1253-W1255 HydrophobicContact CB-CE3 4.38Å; P1253-W1255 HydrophobicContact CB-CH2 3.87Å; P1253-W1255 HydrophobicContact CB-CZ2 3.61Å; P1253-W1255 HydrophobicContact CB-CZ3 4.25Å; P1253-W1255 HydrophobicContact CG-CZ2 3.92Å; P1253-W1255 PolarHBondContact O-N 3.31Å; P1253-W1255 VanDerWaalsContact O-N 3.14Å; W1255-R1258 PolarHBondContact O-NE 3.19Å
1256Q38.4Very low38.5Very low121 Ų121113.7 Ų113.757%0.56555%0.549SS*.G310 helixtrans-92.7-9.4176.6-81.8177.4-19.800113.7I1252 P1253 Y1254 R1258I1252-Q1256 HydrophobicContact CG2-CB 3.78Å; P1253-Q1256 HydrophobicContact CG-CG 4.43Å; P1253-Q1256 PolarHBondContact O-N 3.05Å; Y1254-Q1256 PolarHBondContact O-N 3.49Å; Q1256-R1258 PolarHBondContact O-N 3.27Å
1257R32.7Very low40.1Very low144 Ų144106.4 Ų106.454%0.54352%0.517SS..  trans-82.354.1179.9-56.4-177.3-168.4-148.5-4.5112.2T1249 I1252 Y1254T1249-R1257 PolarHBondContact O-NH2 2.81Å; I1252-R1257 HydrophobicContact CG2-CG 4.09Å; I1252-R1257 PolarHBondContact O-NE 3.18Å; I1252-R1257 PolarHBondContact O-NH2 3.29Å; Y1254-R1257 PolarHBondContact O-N 2.74Å
1258R30.9Very low41.8Very low218 Ų218103.8 Ų103.882%0.82351%0.507SS*.  trans-84.3119.1-171.6-60.7-177.4-179.3-164.5-3.4111.9W1255 Q1256W1255-R1258 PolarHBondContact O-NE 3.19Å; Q1256-R1258 PolarHBondContact O-N 3.27Å
1259S38.2Very low43.6Very low55 Ų55100 Ų10039%0.38549%0.485SS..  trans-142.5171.3171.658.30000111.1M1261S1259-M1261 PolarHBondContact O-N 3.29Å
1260D42Very low45.3Very low153 Ų15399.1 Ų99.182%0.81849%0.49SS*.SBendtrans-58.14.3-155.3-55.4-40.1000119.8
1261M49.2Very low47.1Very low79 Ų7993.8 Ų93.839%0.38947%0.469SS..  trans-103.333178.8-65.9-64.3171.600113.4S1259 W1263 L1264S1259-M1261 PolarHBondContact O-N 3.29Å; M1261-W1263 PolarHBondContact O-N 2.91Å; M1261-W1263 VanDerWaalsContact O-N 3.08Å; M1261-L1264 PolarHBondContact O-N 3.4Å
1262A46.5Very low49.1Very low71 Ų7185.2 Ų85.259%0.58743%0.429SS*.G310 helixtrans-53.1-32.4-176.600000114.4L1264 H1265A1262-L1264 VanDerWaalsContact C-N 3.34Å; A1262-L1264 PolarHBondContact O-N 3.32Å; A1262-H1265 PolarHBondContact O-N 3.29Å
1263W49Very low51.5Low61 Ų6182 Ų8223%0.23141%0.413CS..G310 helixtrans-71.9-21.9-17968.3-90.1000114.1T916 A1087 N1089 M1261 H1265 D1266 I1267T916-W1263 HydrophobicContact CG2-CE3 3.63Å; T916-W1263 HydrophobicContact CG2-CZ3 4.24Å; A1087-W1263 HydrophobicContact CB-CH2 3.82Å; A1087-W1263 HydrophobicContact CB-CZ3 4.12Å; N1089-W1263 HydrophobicContact CB-CD2 4.19Å; N1089-W1263 HydrophobicContact CB-CE3 4.45Å; N1089-W1263 HydrophobicContact CB-CG 4.46Å; M1261-W1263 PolarHBondContact O-N 2.91Å; M1261-W1263 VanDerWaalsContact O-N 3.08Å; W1263-H1265 VanDerWaalsContact C-N 3.29Å; W1263-D1266 PolarHBondContact O-N 3.27Å; W1263-I1267 HydrophobicContact CZ3-CD1 4.46Å
1264L54.5Low54Low34 Ų3482.2 Ų82.218%0.17842%0.415CS..G310 helixtrans-74.2-25.1177.8-15680.4000111.3Y1053 A1087 M1261 A1262 D1266 I1267Y1053-L1264 PolarHBondContact OH-O 2.99Å; A1087-L1264 HydrophobicContact CB-CD1 4.19Å; M1261-L1264 PolarHBondContact O-N 3.4Å; A1262-L1264 VanDerWaalsContact C-N 3.34Å; A1262-L1264 PolarHBondContact O-N 3.32Å; L1264-D1266 PolarHBondContact O-N 3.36Å; L1264-I1267 HydrophobicContact CD1-CD1 3.92Å; L1264-I1267 HydrophobicContact CG-CD1 4.35Å; L1264-I1267 PolarHBondContact O-N 2.97Å
1265H53.5Low56.2Low131 Ų13174.7 Ų74.761%0.60639%0.386SS*.G310 helixtrans-69.5-14.8175.4-67.5-83000113.6A1262 W1263 I1267A1262-H1265 PolarHBondContact O-N 3.29Å; W1263-H1265 VanDerWaalsContact C-N 3.29Å; H1265-I1267 PolarHBondContact O-N 3.48Å
1266D56.4Low58.6Low68 Ų6869 Ų6936%0.36436%0.364SS..G310 helixtrans-72.7-5.1173-84-28.4000113.5K913 W1263 L1264 P1268K913-D1266 HydrophobicContact CD-CB 4.15Å; K913-D1266 IonicContact NZ-OD1 3.94Å; K913-D1266 PolarHBondContact NZ-OD1 3.14Å; K913-D1266 IonicContact NZ-OD2 3.48Å; W1263-D1266 PolarHBondContact O-N 3.27Å; L1264-D1266 PolarHBondContact O-N 3.36Å; D1266-P1268 WeakPolarHBondContact O-CD 3.33Å
1267I61.6Low60.9Low11 Ų1164.2 Ų64.26%0.05634%0.343CS..SBendtrans-104.792.5-178.5-57.2152.2000108.9I918 Y1053 W1263 L1264 H1265I918-I1267 HydrophobicContact CD1-CB 4.35Å; I918-I1267 HydrophobicContact CD1-CD1 3.54Å; I918-I1267 HydrophobicContact CD1-CG1 3.88Å; I918-I1267 HydrophobicContact CD1-CG2 3.57Å; I918-I1267 HydrophobicContact CG1-CD1 4.18Å; Y1053-I1267 HydrophobicContact CE1-CG2 4.46Å; Y1053-I1267 WeakPolarHBondContact CE1-O 3.41Å; Y1053-I1267 PolarHBondContact OH-O 2.97Å; W1263-I1267 HydrophobicContact CZ3-CD1 4.46Å; L1264-I1267 HydrophobicContact CD1-CD1 3.92Å; L1264-I1267 HydrophobicContact CG-CD1 4.35Å; L1264-I1267 PolarHBondContact O-N 2.97Å; H1265-I1267 PolarHBondContact O-N 3.48Å
1268P66.1Low63.2Low68 Ų6862 Ų6244%0.44234%0.335SS..  trans-62.4140.6172.724.9-34.9000110.3D1266 G1270 L1271D1266-P1268 WeakPolarHBondContact O-CD 3.33Å; P1268-G1270 PolarHBondContact O-N 3.23Å; P1268-L1271 HydrophobicContact CG-CD1 3.92Å; P1268-L1271 HydrophobicContact CG-CG 4.03Å; P1268-L1271 PolarHBondContact O-N 3.29Å
1269P66.4Low65.6Low53 Ų5351.7 Ų51.734%0.34430%0.296SS..Hα-helixtrans-58.5-24.1-179.722.7-33.5000112.8Y1053 A1056 L1271 L1272 T1273Y1053-P1269 HydrophobicContact CD1-CB 4.21Å; Y1053-P1269 HydrophobicContact CE1-CB 4.39Å; A1056-P1269 HydrophobicContact CB-CB 4Å; A1056-P1269 VanDerWaalsContact CB-O 3.29Å; A1056-P1269 WeakPolarHBondContact CB-O 3.16Å; P1269-L1271 PolarHBondContact O-N 3.04Å; P1269-L1272 WeakPolarHBondContact O-CB 3.44Å; P1269-L1272 PolarHBondContact O-N 3.13Å; P1269-T1273 PolarHBondContact O-N 2.98Å
1270G69.3Low67.9Low55 Ų5549 Ų4957%0.56728%0.278SS*.Hα-helixtrans-62.2-20.2173.500000115.5P1268 P1274P1268-G1270 PolarHBondContact O-N 3.23Å; G1270-P1274 WeakPolarHBondContact O-CD 3.31Å
1271L73.1Confident69.9Low48 Ų4843 Ų4325%0.25125%0.245SC..Hα-helixtrans-79.7-26.8170.1-73.9174.5000112.4L909 P1268 P1269 P1274 A1275L909-L1271 HydrophobicContact CD2-CB 4.28Å; P1268-L1271 HydrophobicContact CG-CD1 3.92Å; P1268-L1271 HydrophobicContact CG-CG 4.03Å; P1268-L1271 PolarHBondContact O-N 3.29Å; P1269-L1271 PolarHBondContact O-N 3.04Å; L1271-P1274 WeakPolarHBondContact O-CD 3.37Å; L1271-P1274 WeakPolarHBondContact O-CG 3.48Å; L1271-A1275 PolarHBondContact O-N 2.82Å
1272L75.9Confident71.2Confident6 Ų640.4 Ų40.43%0.03124%0.236CC..Hα-helixtrans-74.9-34-176.2-167.963.2000112I920 Y1053 A1056 L1057 P1269 A1275 M1276I920-L1272 HydrophobicContact CD1-CD1 3.73Å; Y1053-L1272 HydrophobicContact CD1-CD2 3.88Å; Y1053-L1272 HydrophobicContact CG-CD2 4.39Å; A1056-L1272 HydrophobicContact CB-CB 4.1Å; A1056-L1272 HydrophobicContact CB-CD2 4.38Å; L1057-L1272 HydrophobicContact CD1-CD2 4.38Å; L1057-L1272 HydrophobicContact CD2-CD1 3.99Å; L1057-L1272 HydrophobicContact CD2-CD2 3.86Å; L1057-L1272 HydrophobicContact CD2-CG 3.72Å; L1057-L1272 HydrophobicContact CG-CD2 3.75Å; L1057-L1272 HydrophobicContact CG-CG 4.1Å; P1269-L1272 WeakPolarHBondContact O-CB 3.44Å; P1269-L1272 PolarHBondContact O-N 3.13Å; L1272-A1275 PolarHBondContact O-N 3.03Å; L1272-M1276 PolarHBondContact O-N 2.81Å
1273T82Confident72.9Confident19 Ų1937 Ų3712%0.11721%0.208CC..Hα-helixtrans-53.1-62.5174.4-57.80000112.6A1056 R1059 G1060 P1269 A1275 M1276 T1277A1056-T1273 WeakPolarHBondContact O-CA 3.48Å; A1056-T1273 PolarHBondContact O-OG1 3.39Å; R1059-T1273 HydrophobicContact CB-CG2 4.05Å; G1060-T1273 WeakPolarHBondContact CA-O 3.28Å; P1269-T1273 PolarHBondContact O-N 2.98Å; T1273-A1275 VanDerWaalsContact C-N 3.26Å; T1273-A1275 PolarHBondContact O-N 2.88Å; T1273-M1276 PolarHBondContact O-N 3.45Å; T1273-T1277 PolarHBondContact O-N 3.08Å; T1273-T1277 PolarHBondContact O-OG1 2.79Å
1274P81.5Confident74.5Confident52 Ų5234.1 Ų34.134%0.33820%0.197SC..Hα-helixtrans-67.1-24.5-179.228-36.5000113.5G1270 L1271 R1278G1270-P1274 WeakPolarHBondContact O-CD 3.31Å; L1271-P1274 WeakPolarHBondContact O-CD 3.37Å; L1271-P1274 WeakPolarHBondContact O-CG 3.48Å; P1274-R1278 WeakPolarHBondContact O-CB 3.2Å; P1274-R1278 VanDerWaalsContact O-CG 3.28Å; P1274-R1278 WeakPolarHBondContact O-CG 3.38Å; P1274-R1278 PolarHBondContact O-N 2.65Å
1275A77.7Confident75.7Confident1 Ų134.8 Ų34.81%0.00820%0.199CC..Hα-helixtrans-66.1-47.1173.500000111.4F907 L909 I920 L1271 L1272 T1273 R1278 A1279F907-A1275 HydrophobicContact CD1-CB 4.18Å; F907-A1275 HydrophobicContact CE1-CB 4.16Å; L909-A1275 HydrophobicContact CD1-CB 3.86Å; L909-A1275 HydrophobicContact CD2-CB 3.96Å; L909-A1275 HydrophobicContact CG-CB 3.62Å; I920-A1275 HydrophobicContact CD1-CB 3.8Å; L1271-A1275 PolarHBondContact O-N 2.82Å; L1272-A1275 PolarHBondContact O-N 3.03Å; T1273-A1275 VanDerWaalsContact C-N 3.26Å; T1273-A1275 PolarHBondContact O-N 2.88Å; A1275-R1278 PolarHBondContact O-N 2.75Å; A1275-A1279 WeakPolarHBondContact O-CB 3.29Å; A1275-A1279 PolarHBondContact O-N 2.85Å
1276M84.9Confident76.5Confident0 Ų030.3 Ų30.30%018%0.183CC..Hα-helixtrans-64-41.4174.5-174.763.4-18000111.5I920 V922 L1007 L1057 F1061 L1272 T1273 R1278 A1279 C1280I920-M1276 HydrophobicContact CG2-SD 4.21Å; V922-M1276 HydrophobicContact CG2-CE 4.18Å; V922-M1276 HydrophobicContact CG2-SD 4.06Å; L1007-M1276 HydrophobicContact CD1-CE 3.87Å; L1007-M1276 HydrophobicContact CD2-CE 4.25Å; L1057-M1276 HydrophobicContact CD2-CB 4.05Å; L1057-M1276 HydrophobicContact CD2-CG 4.12Å; L1057-M1276 HydrophobicContact CD2-SD 4.02Å; L1057-M1276 WeakPolarHBondContact O-CG 3.29Å; F1061-M1276 HydrophobicContact CB-CE 4.36Å; L1272-M1276 PolarHBondContact O-N 2.81Å; T1273-M1276 PolarHBondContact O-N 3.45Å; M1276-R1278 VanDerWaalsContact C-N 3.3Å; M1276-R1278 PolarHBondContact O-N 2.86Å; M1276-A1279 PolarHBondContact O-N 2.84Å; M1276-C1280 PolarHBondContact O-N 3.05Å
1277T86.8Confident77.3Confident21 Ų2127.2 Ų27.213%0.12917%0.166CC..Hα-helixtrans-55.2-46.4174.8-49.80000111.6G1060 Q1063 A1064 T1273 I1281G1060-T1277 WeakPolarHBondContact CA-OG1 3.42Å; G1060-T1277 WeakPolarHBondContact O-CA 3.42Å; G1060-T1277 PolarHBondContact O-OG1 3.27Å; G1060-T1277 VanDerWaalsContact O-OG1 3.13Å; Q1063-T1277 HydrophobicContact CB-CG2 4.23Å; A1064-T1277 HydrophobicContact CB-CG2 4.02Å; T1273-T1277 PolarHBondContact O-N 3.08Å; T1273-T1277 PolarHBondContact O-OG1 2.79Å; T1277-I1281 HydrophobicContact CG2-CD1 4.12Å; T1277-I1281 WeakPolarHBondContact O-CG1 3.28Å; T1277-I1281 PolarHBondContact O-N 2.89Å; T1277-I1281 VanDerWaalsContact O-N 3.11Å
1278R80.8Confident77.5Confident99 Ų9929.7 Ų29.737%0.37418%0.183SC..Hα-helixtrans-69.8-36.9178.9-70.8173-173.5-157.10.9112.6F907 P1274 A1275 M1276 I1281 A1282F907-R1278 HydrophobicContact CD1-CB 4.28Å; F907-R1278 HydrophobicContact CD2-CB 3.93Å; F907-R1278 HydrophobicContact CE1-CB 4.16Å; F907-R1278 HydrophobicContact CE2-CB 3.81Å; F907-R1278 HydrophobicContact CE2-CG 4.34Å; F907-R1278 HydrophobicContact CG-CB 4.18Å; F907-R1278 HydrophobicContact CZ-CB 3.95Å; F907-R1278 HydrophobicContact CZ-CG 4.25Å; P1274-R1278 WeakPolarHBondContact O-CB 3.2Å; P1274-R1278 VanDerWaalsContact O-CG 3.28Å; P1274-R1278 WeakPolarHBondContact O-CG 3.38Å; P1274-R1278 PolarHBondContact O-N 2.65Å; A1275-R1278 PolarHBondContact O-N 2.75Å; M1276-R1278 VanDerWaalsContact C-N 3.3Å; M1276-R1278 PolarHBondContact O-N 2.86Å; R1278-I1281 PolarHBondContact O-N 3.23Å; R1278-A1282 WeakPolarHBondContact O-CB 3.35Å; R1278-A1282 PolarHBondContact O-N 2.83Å
1279A81.5Confident78Confident0 Ų030.6 Ų30.60%018%0.18CC..Hα-helixtrans-62.1-45.1175.400000111.9F907 I920 V922 A1275 M1276 A1282 A1283F907-A1279 HydrophobicContact CB-CB 4.14Å; I920-A1279 HydrophobicContact CB-CB 4.44Å; I920-A1279 HydrophobicContact CG2-CB 4.28Å; V922-A1279 HydrophobicContact CB-CB 4.38Å; V922-A1279 HydrophobicContact CG2-CB 3.86Å; A1275-A1279 WeakPolarHBondContact O-CB 3.29Å; A1275-A1279 PolarHBondContact O-N 2.85Å; M1276-A1279 PolarHBondContact O-N 2.84Å; A1279-A1282 PolarHBondContact O-N 3.07Å; A1279-A1283 WeakPolarHBondContact O-CB 3.46Å; A1279-A1283 PolarHBondContact O-N 3.48Å
1280C86.7Confident78.8Confident0 Ų028.9 Ų28.90%017%0.168CC..Hα-helixtrans-63-41.5174.1-69.70000112.7A1064 F1080 M1276 A1283 F1284A1064-C1280 HydrophobicContact CB-CB 3.56Å; F1080-C1280 HydrophobicContact CD1-CB 4.19Å; F1080-C1280 HydrophobicContact CE1-CB 3.89Å; F1080-C1280 WeakPolarHBondContact CE1-O 3.19Å; F1080-C1280 HydrophobicContact CZ-CB 4.44Å; M1276-C1280 PolarHBondContact O-N 3.05Å; C1280-A1283 PolarHBondContact O-N 3.14Å; C1280-F1284 PolarHBondContact O-N 3.35Å; C1280-F1284 VanDerWaalsContact O-N 3.08Å
1281I84.1Confident79.6Confident26 Ų2627.9 Ų27.913%0.13315%0.147CC..Hα-helixtrans-62.4-46176-77.8167.7000111.4P1069 T1277 R1278 F1284 Q1285 L1460P1069-I1281 HydrophobicContact CB-CG2 4.2Å; T1277-I1281 HydrophobicContact CG2-CD1 4.12Å; T1277-I1281 WeakPolarHBondContact O-CG1 3.28Å; T1277-I1281 PolarHBondContact O-N 2.89Å; T1277-I1281 VanDerWaalsContact O-N 3.11Å; R1278-I1281 PolarHBondContact O-N 3.23Å; I1281-F1284 PolarHBondContact O-N 3.17Å; I1281-Q1285 WeakPolarHBondContact O-CB 3.2Å; I1281-Q1285 WeakPolarHBondContact O-CG 3.29Å; I1281-Q1285 PolarHBondContact O-N 2.95Å; I1281-L1460 HydrophobicContact CG2-CD1 3.94Å
1282A77.5Confident80.2Confident24 Ų2425.6 Ų25.620%0.19814%0.135CC..Hα-helixtrans-64.7-39177.300000112.1R1278 A1279 Q1285 S1286R1278-A1282 WeakPolarHBondContact O-CB 3.35Å; R1278-A1282 PolarHBondContact O-N 2.83Å; A1279-A1282 PolarHBondContact O-N 3.07Å; A1282-Q1285 PolarHBondContact O-N 3.42Å; A1282-S1286 WeakPolarHBondContact O-CB 3.38Å; A1282-S1286 PolarHBondContact O-N 3.38Å
1283A80.9Confident80.8Confident0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-59.4-48.117500000111.6V922 A924 F1080 A1279 C1280 Q1285 S1286V922-A1283 HydrophobicContact CB-CB 4.43Å; V922-A1283 HydrophobicContact CG1-CB 4.27Å; V922-A1283 WeakPolarHBondContact O-CB 3.49Å; A924-A1283 HydrophobicContact CB-CB 4.03Å; F1080-A1283 HydrophobicContact CE1-CB 4.37Å; A1279-A1283 WeakPolarHBondContact O-CB 3.46Å; A1279-A1283 PolarHBondContact O-N 3.48Å; C1280-A1283 PolarHBondContact O-N 3.14Å; A1283-Q1285 PolarHBondContact O-N 2.94Å; A1283-S1286 PolarHBondContact O-N 2.76Å; A1283-S1286 PolarHBondContact O-OG 3.16Å
1284F84Confident81Confident0 Ų026.1 Ų26.10%014%0.136CC..Hα-helixtrans-59.9-46.2174.2-176.7-71.8000111.7E801 I803 P1069 L1070 M1075 I1078 C1280 I1281 S1286 C1287 Q1290E801-F1284 HydrophobicContact CB-CE2 4.26Å; E801-F1284 HydrophobicContact CB-CZ 4.05Å; I803-F1284 HydrophobicContact CG2-CD1 4.48Å; I803-F1284 HydrophobicContact CG2-CD2 3.92Å; I803-F1284 HydrophobicContact CG2-CE1 4.36Å; I803-F1284 HydrophobicContact CG2-CE2 3.78Å; I803-F1284 HydrophobicContact CG2-CG 4.28Å; I803-F1284 HydrophobicContact CG2-CZ 4Å; P1069-F1284 HydrophobicContact CG-CB 4.19Å; P1069-F1284 HydrophobicContact CG-CD1 3.2Å; P1069-F1284 HydrophobicContact CG-CD2 4.45Å; P1069-F1284 HydrophobicContact CG-CE1 3.56Å; P1069-F1284 HydrophobicContact CG-CG 3.72Å; P1069-F1284 HydrophobicContact CG-CZ 4.33Å; L1070-F1284 HydrophobicContact CD1-CE1 4.14Å; L1070-F1284 HydrophobicContact CD1-CZ 4.17Å; L1070-F1284 HydrophobicContact CD2-CE1 4.47Å; L1070-F1284 HydrophobicContact CG-CE1 4.06Å; L1070-F1284 HydrophobicContact CG-CZ 4.45Å; M1075-F1284 HydrophobicContact CE-CB 4.08Å; M1075-F1284 HydrophobicContact CE-CD2 3.88Å; M1075-F1284 HydrophobicContact CE-CG 4.16Å; M1075-F1284 HydrophobicContact CG-CD2 4.47Å; M1075-F1284 HydrophobicContact CG-CE2 4.5Å; M1075-F1284 HydrophobicContact SD-CD2 4.33Å; I1078-F1284 HydrophobicContact CD1-CD2 3.52Å; I1078-F1284 HydrophobicContact CD1-CE2 3.46Å; I1078-F1284 VanDerWaalsContact CD1-CE2 3.46Å; C1280-F1284 PolarHBondContact O-N 3.35Å; C1280-F1284 VanDerWaalsContact O-N 3.08Å; I1281-F1284 PolarHBondContact O-N 3.17Å; F1284-S1286 PolarHBondContact O-N 2.99Å; F1284-C1287 WeakPolarHBondContact O-CB 3.31Å; F1284-C1287 PolarHBondContact O-N 2.87Å; F1284-C1287 VanDerWaalsContact O-N 3.16Å; F1284-Q1290 HydrophobicContact CD1-CG 3.95Å; F1284-Q1290 HydrophobicContact CE1-CB 3.91Å; F1284-Q1290 HydrophobicContact CE1-CG 3.57Å; F1284-Q1290 HydrophobicContact CZ-CB 4.47Å; F1284-Q1290 HydrophobicContact CZ-CG 4.4Å
1285Q78.4Confident81.2Confident49 Ų4924.1 Ų24.123%0.22912%0.124CC..Hα-helixtrans-66.9-19.2-179-73.8174.7-17.700113.6P1069 I1281 A1282 A1283 Q1290P1069-Q1285 HydrophobicContact CB-CG 3.93Å; P1069-Q1285 HydrophobicContact CG-CG 4.25Å; I1281-Q1285 WeakPolarHBondContact O-CB 3.2Å; I1281-Q1285 WeakPolarHBondContact O-CG 3.29Å; I1281-Q1285 PolarHBondContact O-N 2.95Å; A1282-Q1285 PolarHBondContact O-N 3.42Å; A1283-Q1285 PolarHBondContact O-N 2.94Å; Q1285-Q1290 PolarHBondContact O-NE2 3.42Å
1286S70.9Confident81.6Confident37 Ų3724.3 Ų24.326%0.25913%0.125SC..THydrogen-bonded Turntrans-79.5-13.9175.277.10000114.2A1282 A1283 F1284A1282-S1286 WeakPolarHBondContact O-CB 3.38Å; A1282-S1286 PolarHBondContact O-N 3.38Å; A1283-S1286 PolarHBondContact O-N 2.76Å; A1283-S1286 PolarHBondContact O-OG 3.16Å; F1284-S1286 PolarHBondContact O-N 2.99Å
1287C74Confident81.7Confident2 Ų224.7 Ų24.71%0.01413%0.127CC..SBendtrans-74.8137.3176.9-66.50000110.9I803 F1284 F1289 Q1290I803-C1287 HydrophobicContact CB-CB 4.36Å; I803-C1287 HydrophobicContact CG2-CB 3.88Å; F1284-C1287 WeakPolarHBondContact O-CB 3.31Å; F1284-C1287 PolarHBondContact O-N 2.87Å; F1284-C1287 VanDerWaalsContact O-N 3.16Å; C1287-F1289 PolarHBondContact O-N 3.39Å; C1287-Q1290 PolarHBondContact O-NE2 3.05Å
1288P66.2Low81.6Confident63 Ų6325.6 Ų25.641%0.40913%0.131SC..SBendtrans-71.6-28.3-174.227.5-34.4000113.7D805D805-P1288 HydrophobicContact CB-CG 4.33Å
1289F75.5Confident81.9Confident87 Ų8721 Ų2138%0.38211%0.113SC..  trans-12179-175.6-59.9-65.3000111.9I803 I804 D805 C1287I803-F1289 WeakPolarHBondContact CA-O 3.38Å; I804-F1289 HydrophobicContact CB-CB 4.05Å; I804-F1289 HydrophobicContact CD1-CB 4.46Å; I804-F1289 HydrophobicContact CG1-CB 4.47Å; I804-F1289 PolarHBondContact N-O 3.03Å; I804-F1289 VanDerWaalsContact N-O 3.09Å; D805-F1289 HydrophobicContact CB-CD2 4.01Å; D805-F1289 WeakPolarHBondContact OD2-CD2 3.45Å; D805-F1289 VanDerWaalsContact OD2-CE2 3.24Å; D805-F1289 WeakPolarHBondContact OD2-CE2 3.29Å; C1287-F1289 PolarHBondContact O-N 3.39Å
1290Q83.6Confident82Confident18 Ų1822.3 Ų22.38%0.08412%0.119CC..EExtended strand (participates in β ladder)trans-82.5132.9172.5-64.7162.652.400109.5I803 L1070 F1284 Q1285 C1287I803-Q1290 HydrophobicContact CG2-CG 4.44Å; L1070-Q1290 HydrophobicContact CD1-CB 4.43Å; F1284-Q1290 HydrophobicContact CD1-CG 3.95Å; F1284-Q1290 HydrophobicContact CE1-CB 3.91Å; F1284-Q1290 HydrophobicContact CE1-CG 3.57Å; F1284-Q1290 HydrophobicContact CZ-CB 4.47Å; F1284-Q1290 HydrophobicContact CZ-CG 4.4Å; Q1285-Q1290 PolarHBondContact O-NE2 3.42Å; C1287-Q1290 PolarHBondContact O-NE2 3.05Å
1291R85.5Confident82Confident34 Ų3422.3 Ų22.313%0.12812%0.119CC..EExtended strand (participates in β ladder)trans-138.4159.6-175.8-66.1-67.9176.6-102.812.2111.6T802 I804 L1372 D1376T802-R1291 HydrophobicContact CG2-CB 4.03Å; T802-R1291 PolarHBondContact N-O 2.87Å; T802-R1291 PolarHBondContact O-N 3.44Å; I804-R1291 HydrophobicContact CD1-CG 3.78Å; I804-R1291 HydrophobicContact CG1-CG 3.98Å; R1291-L1372 HydrophobicContact CB-CD1 3.67Å; R1291-L1372 HydrophobicContact CG-CD1 4.09Å; R1291-D1376 IonicContact CZ-OD2 3.88Å; R1291-D1376 IonicContact NH1-OD1 2.73Å; R1291-D1376 IonicContact NH1-OD2 3.94Å; R1291-D1376 PolarHBondContact NH1-OD2 2.96Å; R1291-D1376 IonicContact NH2-OD2 2.74Å; R1291-D1376 PolarHBondContact NH2-OD2 3.49Å
1292L86.8Confident81.9Confident0 Ų022.1 Ų22.10%012%0.118CC..EExtended strand (participates in β ladder)trans-99.4156.5167.1-61.8175000109.4R800 E801 L1070 L1373 P1377 I1443R800-L1292 CarbonylContact O-C 3.58Å; R800-L1292 VanDerWaalsContact O-CA 3.29Å; R800-L1292 WeakPolarHBondContact O-CA 3.41Å; E801-L1292 HydrophobicContact CG-CD2 3.94Å; L1070-L1292 HydrophobicContact CB-CD2 4.21Å; L1070-L1292 HydrophobicContact CD1-CD2 3.77Å; L1070-L1292 HydrophobicContact CD1-CG 4.39Å; L1292-L1373 HydrophobicContact CB-CB 4.4Å; L1292-L1373 HydrophobicContact CB-CD2 3.92Å; L1292-L1373 HydrophobicContact CD1-CD2 4.35Å; L1292-L1373 WeakPolarHBondContact O-CB 3.49Å; L1292-L1373 PolarHBondContact O-N 2.91Å; L1292-P1377 HydrophobicContact CD1-CB 4.1Å; L1292-P1377 HydrophobicContact CG-CB 4.26Å; L1292-P1377 HydrophobicContact CG-CG 4.41Å; L1292-I1443 HydrophobicContact CD1-CD1 3.79Å; L1292-I1443 HydrophobicContact CD1-CG1 3.72Å
1293M87.4Confident82.4Confident20 Ų2021 Ų2110%0.09911%0.109CC..EExtended strand (participates in β ladder)trans-117.8140.7166.3-53.6179.975.400109.3R800 T802 Y1076 W1370 E1371R800-M1293 HydrophobicContact CB-CB 4.26Å; R800-M1293 PolarHBondContact N-O 3.32Å; R800-M1293 PolarHBondContact O-N 3.33Å; T802-M1293 HydrophobicContact CG2-CG 3.66Å; T802-M1293 HydrophobicContact CG2-SD 3.95Å; Y1076-M1293 HydrophobicContact CD1-CE 4.08Å; Y1076-M1293 HydrophobicContact CD1-SD 3.36Å; Y1076-M1293 WeakPolarHBondContact CD1-SD 3.47Å; Y1076-M1293 HydrophobicContact CE1-CE 3.92Å; Y1076-M1293 HydrophobicContact CE1-SD 3.85Å; Y1076-M1293 HydrophobicContact CG-SD 4.13Å; M1293-W1370 HydrophobicContact CB-CB 4.2Å; M1293-W1370 HydrophobicContact CE-CB 3.69Å; M1293-W1370 WeakPolarHBondContact CE-O 3.34Å; M1293-W1370 HydrophobicContact SD-CB 4.37Å; M1293-E1371 CarbonylContact C-O 3.58Å; M1293-E1371 WeakPolarHBondContact CA-O 3.5Å; M1293-E1371 WeakPolarHBondContact CB-O 3.14Å
1294I86.8Confident82.5Confident16 Ų1627 Ų278%0.08213%0.132CC..EExtended strand (participates in β ladder)trans-103.7142.1179.4-168.3161.3000109.8F799 V1296 P1341 I1343 W1370 E1371F799-I1294 HydrophobicContact CE1-CB 4.46Å; F799-I1294 HydrophobicContact CE1-CD1 4.27Å; F799-I1294 HydrophobicContact CE1-CG1 4.16Å; I1294-V1296 HydrophobicContact CG2-CG2 4.19Å; I1294-P1341 HydrophobicContact CD1-CB 3.94Å; I1294-P1341 HydrophobicContact CG1-CB 4.44Å; I1294-I1343 HydrophobicContact CD1-CG2 4.01Å; I1294-W1370 WeakPolarHBondContact O-CA 3.49Å; I1294-E1371 HydrophobicContact CG2-CB 4.39Å; I1294-E1371 PolarHBondContact N-O 2.74Å; I1294-E1371 PolarHBondContact O-N 3.13Å
1295A84.9Confident82.7Confident10 Ų1031 Ų318%0.08316%0.16CC..EExtended strand (participates in β ladder)trans-70136.817200000110V797 V1342 W1370V797-A1295 HydrophobicContact CG1-CB 3.87Å; A1295-V1342 HydrophobicContact CB-CB 4.24Å; A1295-V1342 HydrophobicContact CB-CG2 3.66Å; A1295-V1342 WeakPolarHBondContact O-CG2 3.39Å; A1295-V1342 PolarHBondContact O-N 3.25Å; A1295-W1370 HydrophobicContact CB-CE3 4.07Å; A1295-W1370 HydrophobicContact CB-CH2 4.2Å; A1295-W1370 HydrophobicContact CB-CZ3 3.71Å
1296V87Confident83.2Confident4 Ų433 Ų332%0.02417%0.172CC..EExtended strand (participates in β ladder)trans-126.8141.3-177.4174.30000110.2I1294 R1339 L1340 G1368 G1369 E1371I1294-V1296 HydrophobicContact CG2-CG2 4.19Å; V1296-R1339 HydrophobicContact CG1-CB 3.75Å; V1296-R1339 HydrophobicContact CG1-CG 3.93Å; V1296-L1340 WeakPolarHBondContact CA-O 3.45Å; V1296-G1368 WeakPolarHBondContact O-CA 3.37Å; V1296-G1368 PolarHBondContact O-N 3.5Å; V1296-G1369 PolarHBondContact N-O 3.11Å; V1296-E1371 HydrophobicContact CG2-CB 3.55Å
1297Y85.6Confident84.2Confident9 Ų931.5 Ų31.54%0.03516%0.161CC..EExtended strand (participates in β ladder)trans-95131.4167-68.9-57000110.6V720 R1339 L1340 V1342 S1345 L1365 R1366V720-Y1297 WeakPolarHBondContact CB-OH 3.34Å; V720-Y1297 HydrophobicContact CG1-CE1 4.4Å; V720-Y1297 WeakPolarHBondContact CG1-OH 3.44Å; V720-Y1297 HydrophobicContact CG2-CE1 4.19Å; Y1297-R1339 WeakPolarHBondContact O-CA 3.37Å; Y1297-L1340 PolarHBondContact N-O 3.4Å; Y1297-L1340 PolarHBondContact O-N 2.88Å; Y1297-V1342 HydrophobicContact CD1-CG2 4.19Å; Y1297-V1342 HydrophobicContact CD2-CB 4.14Å; Y1297-V1342 HydrophobicContact CD2-CG1 4.43Å; Y1297-V1342 HydrophobicContact CD2-CG2 3.67Å; Y1297-V1342 HydrophobicContact CE1-CG2 4.11Å; Y1297-V1342 HydrophobicContact CE2-CB 3.87Å; Y1297-V1342 HydrophobicContact CE2-CG1 3.67Å; Y1297-V1342 HydrophobicContact CE2-CG2 3.61Å; Y1297-V1342 HydrophobicContact CG-CG2 4Å; Y1297-S1345 WeakPolarHBondContact CE2-OG 3.5Å; Y1297-L1365 HydrophobicContact CD1-CB 4.08Å; Y1297-L1365 HydrophobicContact CD2-CB 4.1Å; Y1297-L1365 HydrophobicContact CD2-CD1 4.39Å; Y1297-L1365 HydrophobicContact CD2-CD2 3.61Å; Y1297-L1365 HydrophobicContact CD2-CG 4.25Å; Y1297-L1365 HydrophobicContact CE1-CB 4.36Å; Y1297-L1365 HydrophobicContact CE2-CB 4.34Å; Y1297-L1365 HydrophobicContact CE2-CD1 4.29Å; Y1297-L1365 HydrophobicContact CE2-CD2 4.32Å; Y1297-L1365 HydrophobicContact CG-CB 3.94Å; Y1297-L1365 HydrophobicContact CG-CD2 3.88Å; Y1297-L1365 HydrophobicContact CG-CG 4.46Å; Y1297-R1366 CarbonylContact C-O 3.51Å; Y1297-R1366 WeakPolarHBondContact CA-O 3.27Å
1298D85.3Confident85Confident39 Ų3932.7 Ų32.721%0.20917%0.167CC..EExtended strand (participates in β ladder)trans-76.3124.7159-73.9-29000108.2A1338 R1339 R1366 G1368D1298-A1338 CarbonylContact C-O 3.44Å; D1298-R1339 WeakPolarHBondContact OD1-CG 3.38Å; D1298-R1339 IonicContact OD1-CZ 3.65Å; D1298-R1339 IonicContact OD1-NE 2.69Å; D1298-R1339 PolarHBondContact OD1-NE 3.25Å; D1298-R1339 IonicContact OD1-NH2 3.83Å; D1298-R1339 IonicContact OD2-NH2 2.65Å; D1298-R1366 PolarHBondContact N-O 2.85Å; D1298-R1366 PolarHBondContact O-N 3.18Å; D1298-G1368 WeakPolarHBondContact OD2-CA 3.46Å
1299L86.5Confident86.1Confident3 Ų332.5 Ų32.52%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-106.6135.2-179.8-82.4168.2000110.2L1315 S1337 A1338 L1340 L1348 P1363 Q1364 L1365L1299-L1315 HydrophobicContact CD1-CD2 4.04Å; L1299-S1337 CarbonylContact O-C 3.49Å; L1299-S1337 WeakPolarHBondContact O-CA 3.49Å; L1299-A1338 HydrophobicContact CB-CB 4.24Å; L1299-A1338 WeakPolarHBondContact CB-O 3.36Å; L1299-A1338 PolarHBondContact N-O 2.91Å; L1299-A1338 PolarHBondContact O-N 3.16Å; L1299-L1340 HydrophobicContact CD1-CB 3.58Å; L1299-L1340 HydrophobicContact CD1-CD2 3.93Å; L1299-L1340 HydrophobicContact CD1-CG 4.33Å; L1299-L1340 HydrophobicContact CG-CB 4.41Å; L1299-L1348 HydrophobicContact CD1-CD2 3.92Å; L1299-L1348 HydrophobicContact CD2-CD2 3.99Å; L1299-P1363 HydrophobicContact CD2-CB 3.51Å; L1299-Q1364 WeakPolarHBondContact CA-O 3.47Å; L1299-L1365 HydrophobicContact CD2-CD2 3.46Å; L1299-L1365 VanDerWaalsContact CD2-CD2 3.46Å; L1299-L1365 HydrophobicContact CD2-CG 4.15Å; L1299-L1365 HydrophobicContact CG-CD2 4.07Å
1300E84Confident86.9Confident27 Ų2734.9 Ų34.913%0.12618%0.183CC..EExtended strand (participates in β ladder)trans-119.2119.6166.7-167.1178.5152.800108.7I1335 R1366E1300-I1335 HydrophobicContact CG-CG2 3.61Å; E1300-R1366 IonicContact OE2-CZ 2.79Å; E1300-R1366 IonicContact OE2-NH2 3.22Å; E1300-R1366 PolarHBondContact OE2-NH2 2.77Å
1301L86.5Confident87.3Confident0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-122.2132.8-177.3-74.3167.6000110.3M1311 L1315 I1335 I1336 I1352 V1360 P1363L1301-M1311 HydrophobicContact CB-SD 4.06Å; L1301-M1311 HydrophobicContact CD1-CG 4.24Å; L1301-M1311 HydrophobicContact CD1-SD 3.76Å; L1301-M1311 HydrophobicContact CG-SD 4.47Å; L1301-L1315 HydrophobicContact CD1-CD1 4.18Å; L1301-L1315 HydrophobicContact CD1-CD2 4.26Å; L1301-I1335 CarbonylContact O-C 3.58Å; L1301-I1335 WeakPolarHBondContact O-CA 3.45Å; L1301-I1336 HydrophobicContact CB-CB 4.49Å; L1301-I1336 PolarHBondContact N-O 3.05Å; L1301-I1336 PolarHBondContact O-N 3.17Å; L1301-I1352 HydrophobicContact CD1-CD1 4.15Å; L1301-I1352 HydrophobicContact CD2-CD1 4.1Å; L1301-V1360 HydrophobicContact CD2-CG1 3.97Å; L1301-P1363 HydrophobicContact CD2-CB 3.9Å
1302Q83.5Confident87.6Confident22 Ų2234.9 Ų34.910%0.10318%0.184CC..EExtended strand (participates in β ladder)trans-106.1122.9173.1-173170-300109.6E1331 T1333 F1334 V1360 S1361Q1302-E1331 PolarHBondContact NE2-OE2 3.31Å; Q1302-T1333 HydrophobicContact CG-CG2 4.24Å; Q1302-T1333 PolarHBondContact NE2-OG1 3.07Å; Q1302-F1334 WeakPolarHBondContact CA-O 3.31Å; Q1302-V1360 WeakPolarHBondContact O-CA 3.48Å; Q1302-S1361 PolarHBondContact N-OG 2.77Å; Q1302-S1361 PolarHBondContact O-N 2.73Å
1303A86.1Confident87.8Confident1 Ų136.5 Ų36.51%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-140.3146.7-171.700000112V1307 L1308 M1311 T1333 F1334 I1336 V1360A1303-V1307 HydrophobicContact CB-CG2 4.32Å; A1303-L1308 HydrophobicContact CB-CD2 3.76Å; A1303-M1311 HydrophobicContact CB-SD 4.2Å; A1303-T1333 CarbonylContact O-C 3.49Å; A1303-T1333 WeakPolarHBondContact O-CA 3.33Å; A1303-F1334 PolarHBondContact N-O 3.27Å; A1303-F1334 PolarHBondContact O-N 3.4Å; A1303-I1336 HydrophobicContact CB-CD1 4.18Å; A1303-V1360 HydrophobicContact CB-CG1 4.32Å; A1303-V1360 HydrophobicContact CB-CG2 3.76Å
1304R84Confident88Confident127 Ų12735.6 Ų35.648%0.47920%0.196SC..EExtended strand (participates in β ladder)trans-80.1156.5166.8-75.4167.441131.7-2.7111D1306 V1307 L1308 T1333 V1359R1304-D1306 WeakPolarHBondContact CB-OD1 3.28Å; R1304-D1306 IonicContact CZ-OD1 2.67Å; R1304-D1306 IonicContact CZ-OD2 2.66Å; R1304-D1306 IonicContact NE-OD1 2.79Å; R1304-D1306 PolarHBondContact NE-OD1 3.46Å; R1304-D1306 IonicContact NE-OD2 3.73Å; R1304-D1306 PolarHBondContact NE-OD2 2.65Å; R1304-D1306 IonicContact NH2-OD1 3.24Å; R1304-D1306 IonicContact NH2-OD2 3.3Å; R1304-D1306 PolarHBondContact NH2-OD2 2.89Å; R1304-D1306 PolarHBondContact O-N 3.02Å; R1304-D1306 VanDerWaalsContact O-N 3.14Å; R1304-V1307 HydrophobicContact CB-CG2 4.29Å; R1304-V1307 VanDerWaalsContact O-CG2 3.24Å; R1304-V1307 WeakPolarHBondContact O-CG2 3.4Å; R1304-V1307 PolarHBondContact O-N 3.04Å; R1304-L1308 WeakPolarHBondContact O-CG 3.09Å; R1304-T1333 HydrophobicContact CG-CG2 4.17Å; R1304-V1359 HydrophobicContact CB-CG1 4.4Å; R1304-V1359 HydrophobicContact CG-CG1 4.4Å
1305S88.3Confident88.2Confident84 Ų8434.9 Ų34.959%0.58719%0.193SC*.THydrogen-bonded Turntrans-54.7-31.3-179.750.70000114.7V1307S1305-V1307 PolarHBondContact O-N 3.23Å
1306D88.8Confident88.5Confident89 Ų8943.1 Ų43.148%0.47622%0.222SC..THydrogen-bonded Turntrans-75.5-18-17754.8-12.2000114.7R1304R1304-D1306 WeakPolarHBondContact CB-OD1 3.28Å; R1304-D1306 IonicContact CZ-OD1 2.67Å; R1304-D1306 IonicContact CZ-OD2 2.66Å; R1304-D1306 IonicContact NE-OD1 2.79Å; R1304-D1306 PolarHBondContact NE-OD1 3.46Å; R1304-D1306 IonicContact NE-OD2 3.73Å; R1304-D1306 PolarHBondContact NE-OD2 2.65Å; R1304-D1306 IonicContact NH2-OD1 3.24Å; R1304-D1306 IonicContact NH2-OD2 3.3Å; R1304-D1306 PolarHBondContact NH2-OD2 2.89Å; R1304-D1306 PolarHBondContact O-N 3.02Å; R1304-D1306 VanDerWaalsContact O-N 3.14Å
1307V90.7Very high88.5Confident7 Ų749.4 Ų49.44%0.04225%0.245CC..THydrogen-bonded Turntrans-109.5-9.5-177.4-69.90000114.6A1303 R1304 S1305 G1309 R1310 M1311 T1356 V1359 V1360A1303-V1307 HydrophobicContact CB-CG2 4.32Å; R1304-V1307 HydrophobicContact CB-CG2 4.29Å; R1304-V1307 VanDerWaalsContact O-CG2 3.24Å; R1304-V1307 WeakPolarHBondContact O-CG2 3.4Å; R1304-V1307 PolarHBondContact O-N 3.04Å; S1305-V1307 PolarHBondContact O-N 3.23Å; V1307-G1309 PolarHBondContact O-N 3.32Å; V1307-R1310 PolarHBondContact O-N 3.3Å; V1307-R1310 VanDerWaalsContact O-N 3.07Å; V1307-M1311 PolarHBondContact O-N 3.05Å; V1307-M1311 VanDerWaalsContact O-N 3.16Å; V1307-T1356 HydrophobicContact CB-CG2 4.32Å; V1307-V1359 HydrophobicContact CG1-CB 4.19Å; V1307-V1359 HydrophobicContact CG1-CG1 4.21Å; V1307-V1359 HydrophobicContact CG2-CB 4.5Å; V1307-V1359 HydrophobicContact CG2-CG1 4.09Å; V1307-V1360 HydrophobicContact CB-CG2 4.16Å; V1307-V1360 HydrophobicContact CG2-CG2 3.54Å
1308L90.8Very high88.6Confident26 Ų2650.7 Ų50.714%0.13625%0.25CC..Hα-helixtrans-48.2-52.6-178.1-63.5-179.3000113.5A1303 R1304 R1310 M1311 F1312 F1334 I1336A1303-L1308 HydrophobicContact CB-CD2 3.76Å; R1304-L1308 WeakPolarHBondContact O-CG 3.09Å; L1308-R1310 VanDerWaalsContact C-N 3.27Å; L1308-R1310 PolarHBondContact O-N 2.69Å; L1308-M1311 WeakPolarHBondContact O-CB 3.21Å; L1308-M1311 PolarHBondContact O-N 2.94Å; L1308-M1311 VanDerWaalsContact O-N 3.09Å; L1308-F1312 HydrophobicContact CB-CD2 4.32Å; L1308-F1312 HydrophobicContact CB-CE2 3.98Å; L1308-F1312 WeakPolarHBondContact O-CD2 3.28Å; L1308-F1312 PolarHBondContact O-N 3.33Å; L1308-F1334 HydrophobicContact CD1-CD2 4.07Å; L1308-F1334 HydrophobicContact CD1-CE2 4.29Å; L1308-F1334 HydrophobicContact CD1-CG 4.33Å; L1308-F1334 HydrophobicContact CD2-CB 4.27Å; L1308-F1334 HydrophobicContact CD2-CD2 4.5Å; L1308-F1334 HydrophobicContact CD2-CG 4.48Å; L1308-I1336 HydrophobicContact CD2-CD1 3.42Å; L1308-I1336 VanDerWaalsContact CD2-CD1 3.42Å
1309G91.2Very high88.5Confident60 Ų6051.7 Ų51.762%0.61925%0.251SS*.Hα-helixtrans-60.7-33-177.700000114V1307 G1313V1307-G1309 PolarHBondContact O-N 3.32Å; G1309-G1313 PolarHBondContact O-N 2.79Å
1310R91.8Very high88.4Confident136 Ų13652.2 Ų52.251%0.51326%0.257SS..Hα-helixtrans-72.7-39.1176.1-56.1-173.4-164.91706.8111.4V1307 L1308 G1313 V1314 R1355 T1356V1307-R1310 PolarHBondContact O-N 3.3Å; V1307-R1310 VanDerWaalsContact O-N 3.07Å; L1308-R1310 VanDerWaalsContact C-N 3.27Å; L1308-R1310 PolarHBondContact O-N 2.69Å; R1310-G1313 PolarHBondContact O-N 3.21Å; R1310-V1314 PolarHBondContact O-N 3.06Å; R1310-R1355 VanDerWaalsContact CD-O 3.23Å; R1310-R1355 WeakPolarHBondContact CD-O 3.09Å; R1310-R1355 PolarHBondContact NH1-O 3.08Å; R1310-T1356 HydrophobicContact CB-CG2 4.43Å
1311M91.2Very high88.7Confident0 Ų057.2 Ų57.20%028%0.275CS..Hα-helixtrans-66.9-48.2178.8-171.9-152.17000111.3L1301 A1303 V1307 L1308 G1313 V1314 L1315 I1336 V1360L1301-M1311 HydrophobicContact CB-SD 4.06Å; L1301-M1311 HydrophobicContact CD1-CG 4.24Å; L1301-M1311 HydrophobicContact CD1-SD 3.76Å; L1301-M1311 HydrophobicContact CG-SD 4.47Å; A1303-M1311 HydrophobicContact CB-SD 4.2Å; V1307-M1311 PolarHBondContact O-N 3.05Å; V1307-M1311 VanDerWaalsContact O-N 3.16Å; L1308-M1311 WeakPolarHBondContact O-CB 3.21Å; L1308-M1311 PolarHBondContact O-N 2.94Å; L1308-M1311 VanDerWaalsContact O-N 3.09Å; M1311-G1313 PolarHBondContact O-N 3.35Å; M1311-V1314 WeakPolarHBondContact O-CB 3.5Å; M1311-V1314 PolarHBondContact O-N 3Å; M1311-L1315 HydrophobicContact CE-CD1 3.92Å; M1311-L1315 PolarHBondContact O-N 3.38Å; M1311-I1336 HydrophobicContact CE-CB 4.35Å; M1311-I1336 HydrophobicContact CE-CD1 3.32Å; M1311-I1336 HydrophobicContact CE-CG1 4.38Å; M1311-I1336 HydrophobicContact CE-CG2 4.09Å; M1311-I1336 HydrophobicContact SD-CD1 3.89Å; M1311-V1360 HydrophobicContact CG-CG1 4.31Å; M1311-V1360 HydrophobicContact SD-CG1 4.1Å
1312F92.8Very high88.9Confident53 Ų5360.1 Ų60.123%0.23229%0.293CS..Hα-helixtrans-59.2-34.6172.8-65.3-50.3000112.3L1308 V1314 L1315 R1316 V1322 E1325 I1336L1308-F1312 HydrophobicContact CB-CD2 4.32Å; L1308-F1312 HydrophobicContact CB-CE2 3.98Å; L1308-F1312 WeakPolarHBondContact O-CD2 3.28Å; L1308-F1312 PolarHBondContact O-N 3.33Å; F1312-V1314 VanDerWaalsContact C-N 3.26Å; F1312-V1314 PolarHBondContact O-N 3.34Å; F1312-L1315 HydrophobicContact CD1-CD1 4.36Å; F1312-L1315 PolarHBondContact O-N 3.08Å; F1312-R1316 WeakPolarHBondContact O-CB 3.36Å; F1312-R1316 PolarHBondContact O-N 2.9Å; F1312-V1322 HydrophobicContact CD1-CG2 3.87Å; F1312-V1322 HydrophobicContact CE1-CG1 4.38Å; F1312-V1322 HydrophobicContact CE1-CG2 3.73Å; F1312-E1325 HydrophobicContact CZ-CG 4.46Å; F1312-E1325 VanDerWaalsContact CZ-OE1 3.24Å; F1312-E1325 WeakPolarHBondContact CZ-OE1 3.5Å; F1312-I1336 HydrophobicContact CE1-CD1 4.4Å; F1312-I1336 HydrophobicContact CE1-CG2 4Å; F1312-I1336 HydrophobicContact CZ-CD1 4.16Å
1313G91.5Very high89.3Confident34 Ų3463.6 Ų63.635%0.35132%0.315SS..Hα-helixtrans-66.5-17.6172.200000115.5G1309 R1310 M1311 R1355G1309-G1313 PolarHBondContact O-N 2.79Å; R1310-G1313 PolarHBondContact O-N 3.21Å; M1311-G1313 PolarHBondContact O-N 3.35Å; G1313-R1355 PolarHBondContact O-NH1 2.7Å
1314V91.4Very high89.5Confident0 Ų065.3 Ų65.30%033%0.327CS..Hα-helixtrans-84.1-51.4167.1179.60000110.2R1310 M1311 F1312 R1316 R1317 R1318 L1348 E1351 I1352 R1355R1310-V1314 PolarHBondContact O-N 3.06Å; M1311-V1314 WeakPolarHBondContact O-CB 3.5Å; M1311-V1314 PolarHBondContact O-N 3Å; F1312-V1314 VanDerWaalsContact C-N 3.26Å; F1312-V1314 PolarHBondContact O-N 3.34Å; V1314-R1316 PolarHBondContact O-N 3.11Å; V1314-R1317 WeakPolarHBondContact O-CB 3.4Å; V1314-R1317 PolarHBondContact O-N 2.87Å; V1314-R1318 PolarHBondContact O-N 2.98Å; V1314-L1348 HydrophobicContact CG1-CD1 3.84Å; V1314-E1351 HydrophobicContact CG1-CB 4.36Å; V1314-E1351 HydrophobicContact CG1-CG 4.03Å; V1314-E1351 HydrophobicContact CG2-CG 4.11Å; V1314-I1352 HydrophobicContact CB-CG1 4.36Å; V1314-I1352 HydrophobicContact CG1-CG1 4.03Å; V1314-I1352 HydrophobicContact CG2-CG1 4.48Å; V1314-R1355 HydrophobicContact CG2-CB 4.45Å; V1314-R1355 HydrophobicContact CG2-CG 4.38Å
1315L91.1Very high89.8Confident2 Ų264.5 Ų64.51%0.0133%0.329CS..Hα-helixtrans-56.7-49-177.2-66.4175.6000111.2L1299 L1301 M1311 F1312 R1317 R1318 Y1319 G1320 V1322 A1338L1299-L1315 HydrophobicContact CD1-CD2 4.04Å; L1301-L1315 HydrophobicContact CD1-CD1 4.18Å; L1301-L1315 HydrophobicContact CD1-CD2 4.26Å; M1311-L1315 HydrophobicContact CE-CD1 3.92Å; M1311-L1315 PolarHBondContact O-N 3.38Å; F1312-L1315 HydrophobicContact CD1-CD1 4.36Å; F1312-L1315 PolarHBondContact O-N 3.08Å; L1315-R1317 VanDerWaalsContact C-N 3.31Å; L1315-R1317 PolarHBondContact O-N 3.4Å; L1315-R1318 CarbonylContact O-C 3.5Å; L1315-R1318 PolarHBondContact O-N 2.89Å; L1315-Y1319 PolarHBondContact O-N 3.48Å; L1315-G1320 PolarHBondContact O-N 2.97Å; L1315-V1322 HydrophobicContact CD1-CG2 4.49Å; L1315-A1338 HydrophobicContact CD1-CB 4.2Å
1316R89.3Confident89.8Confident183 Ų18364.2 Ų64.269%0.69132%0.321SS*.G310 helixtrans-59.7-38-179.5-167.4178.5-168.9164.96.7113.2F1312 V1314 R1318 Y1319F1312-R1316 WeakPolarHBondContact O-CB 3.36Å; F1312-R1316 PolarHBondContact O-N 2.9Å; V1314-R1316 PolarHBondContact O-N 3.11Å; R1316-R1318 VanDerWaalsContact C-N 3.3Å; R1316-R1318 PolarHBondContact O-N 2.82Å; R1316-Y1319 PolarHBondContact O-N 2.91Å
1317R87.9Confident89.7Confident135 Ų13564.9 Ų64.951%0.50932%0.319SS..G310 helixtrans-64.1-34.9177170.4-174.1-72.6-178-16.6112.3V1314 L1315 Y1319 E1351 R1355V1314-R1317 WeakPolarHBondContact O-CB 3.4Å; V1314-R1317 PolarHBondContact O-N 2.87Å; L1315-R1317 VanDerWaalsContact C-N 3.31Å; L1315-R1317 PolarHBondContact O-N 3.4Å; R1317-Y1319 VanDerWaalsContact C-N 3.33Å; R1317-E1351 IonicContact CZ-OE1 3.2Å; R1317-E1351 IonicContact NH1-OE1 3.33Å; R1317-E1351 PolarHBondContact NH1-OE1 2.95Å; R1317-R1355 VanDerWaalsContact CZ-NH2 3.26Å; R1317-R1355 VanDerWaalsContact NH1-NH2 3.12Å; R1317-R1355 VanDerWaalsContact NH2-NH2 3.12Å
1318R86.9Confident88.7Confident36 Ų3665.9 Ų65.914%0.13632%0.322CS..G310 helixtrans-95.316.2-179.8-67.6176.7173-107.15.5112.8V1314 L1315 R1316 G1320 L1340 E1344 F1346 E1351V1314-R1318 PolarHBondContact O-N 2.98Å; L1315-R1318 CarbonylContact O-C 3.5Å; L1315-R1318 PolarHBondContact O-N 2.89Å; R1316-R1318 VanDerWaalsContact C-N 3.3Å; R1316-R1318 PolarHBondContact O-N 2.82Å; R1318-G1320 PolarHBondContact O-N 2.95Å; R1318-L1340 HydrophobicContact CB-CD1 3.78Å; R1318-L1340 WeakPolarHBondContact O-CD1 3.41Å; R1318-E1344 HydrophobicContact CB-CB 4.16Å; R1318-E1344 PolarHBondContact NH1-O 3.2Å; R1318-E1344 WeakPolarHBondContact O-CB 3.47Å; R1318-F1346 PolarHBondContact NH1-O 2.67Å; R1318-F1346 PolarHBondContact NH2-O 2.66Å; R1318-E1351 IonicContact CZ-OE2 3.33Å; R1318-E1351 VanDerWaalsContact CZ-OE2 3.24Å; R1318-E1351 IonicContact NE-OE2 3.94Å; R1318-E1351 PolarHBondContact NE-OE2 2.88Å; R1318-E1351 IonicContact NH2-OE2 2.8Å; R1318-E1351 PolarHBondContact NH2-OE2 3.33Å
1319Y84.2Confident87.4Confident60 Ų6073 Ų7324%0.23536%0.355CS..THydrogen-bonded Turntrans60.125.1-178.1-49.3-60.4000115.4L1315 R1316 R1317 R1321 E1344 R1435L1315-Y1319 PolarHBondContact O-N 3.48Å; R1316-Y1319 PolarHBondContact O-N 2.91Å; R1317-Y1319 VanDerWaalsContact C-N 3.33Å; Y1319-R1321 PolarHBondContact O-N 3.09Å; Y1319-E1344 HydrophobicContact CD2-CG 4.47Å; Y1319-R1435 HydrophobicContact CD1-CG 4.38Å; Y1319-R1435 HydrophobicContact CE1-CG 3.49Å; Y1319-R1435 VanDerWaalsContact CE1-CG 3.49Å; Y1319-R1435 WeakPolarHBondContact OH-CG 3.33Å
1320G85.2Confident85.8Confident14 Ų1472.7 Ų72.714%0.14435%0.352CS..PPolyproline II helixtrans-67.512817200000112.2L1315 R1318 R1339L1315-G1320 PolarHBondContact O-N 2.97Å; R1318-G1320 PolarHBondContact O-N 2.95Å; G1320-R1339 CarbonylContact C-O 3.58Å; G1320-R1339 WeakPolarHBondContact CA-O 3.47Å
1321R88.6Confident84.4Confident132 Ų13268.5 Ų68.550%0.49834%0.338SS..EExtended strand (participates in β ladder)trans-98.6125.2174.6-65.2178.1175.6-171.1-3.3108.8Y1319 A1338 R1339 E1371 D1374Y1319-R1321 PolarHBondContact O-N 3.09Å; R1321-A1338 CarbonylContact O-C 3.49Å; R1321-A1338 VanDerWaalsContact O-CA 3.29Å; R1321-A1338 WeakPolarHBondContact O-CA 3.31Å; R1321-R1339 PolarHBondContact N-O 3.3Å; R1321-R1339 PolarHBondContact O-N 3.46Å; R1321-E1371 IonicContact CZ-OE1 2.71Å; R1321-E1371 VanDerWaalsContact CZ-OE1 3.3Å; R1321-E1371 IonicContact NE-OE1 3.3Å; R1321-E1371 IonicContact NH1-OE1 2.68Å; R1321-E1371 PolarHBondContact NH1-OE1 3.32Å; R1321-D1374 IonicContact NH2-OD2 2.98Å; R1321-D1374 PolarHBondContact NH2-OD2 3.34Å
1322V92Very high83.6Confident62 Ų6274.1 Ų74.138%0.37637%0.368SS..EExtended strand (participates in β ladder)trans-79.7135.7175.8-1770000109.1F1312 L1315 E1325 I1336F1312-V1322 HydrophobicContact CD1-CG2 3.87Å; F1312-V1322 HydrophobicContact CE1-CG1 4.38Å; F1312-V1322 HydrophobicContact CE1-CG2 3.73Å; L1315-V1322 HydrophobicContact CD1-CG2 4.49Å; V1322-E1325 HydrophobicContact CG1-CG 4Å; V1322-I1336 HydrophobicContact CG1-CG2 3.93Å
1323V90.7Very high82.9Confident95 Ų9572.5 Ų72.558%0.57636%0.362SS*.EExtended strand (participates in β ladder)trans-107.3-47.7-175.5-178.20000111.4S1337 R1339V1323-S1337 PolarHBondContact N-O 3.05Å; V1323-R1339 HydrophobicContact CG2-CB 4.44Å; V1323-R1339 HydrophobicContact CG2-CG 4.02Å
1324S91.6Very high82.6Confident36 Ų3673.3 Ų73.325%0.25236%0.356SS..EExtended strand (participates in β ladder)trans-143.4155.3175.178.20000111.9D1326 S1337S1324-D1326 WeakPolarHBondContact CB-OD2 3.44Å; S1324-D1326 PolarHBondContact OG-OD2 2.99Å; S1324-S1337 PolarHBondContact N-O 3.11Å; S1324-S1337 PolarHBondContact O-N 2.8Å; S1324-S1337 VanDerWaalsContact OG-CB 3.25Å; S1324-S1337 WeakPolarHBondContact OG-CB 3.49Å; S1324-S1337 PolarHBondContact OG-OG 3.29Å
1325E90.6Very high82.4Confident111 Ų11174.4 Ų74.452%0.51936%0.362SS..EExtended strand (participates in β ladder)trans-131.4105.8172.9-65.1-177.2-161.900108.1F1312 V1322 I1336F1312-E1325 HydrophobicContact CZ-CG 4.46Å; F1312-E1325 VanDerWaalsContact CZ-OE1 3.24Å; F1312-E1325 WeakPolarHBondContact CZ-OE1 3.5Å; V1322-E1325 HydrophobicContact CG1-CG 4Å; E1325-I1336 HydrophobicContact CG-CG1 4.49Å; E1325-I1336 HydrophobicContact CG-CG2 4.48Å
1326D87.9Confident82.3Confident78 Ų7874.4 Ų74.442%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-115.4121-171.3-60.2-66.7000110.1S1324 F1334 I1335S1324-D1326 WeakPolarHBondContact CB-OD2 3.44Å; S1324-D1326 PolarHBondContact OG-OD2 2.99Å; D1326-F1334 CarbonylContact O-C 3.48Å; D1326-F1334 WeakPolarHBondContact O-CA 3.35Å; D1326-I1335 HydrophobicContact CB-CB 4.3Å; D1326-I1335 HydrophobicContact CB-CD1 4.26Å; D1326-I1335 PolarHBondContact N-O 3.3Å; D1326-I1335 PolarHBondContact O-N 3.25Å
1327F85.4Confident82.4Confident103 Ų10367.2 Ų67.245%0.45234%0.34SS..EExtended strand (participates in β ladder)trans-87.3124.6-179.8-179.2-108.5000111.6E1329 F1334F1327-E1329 HydrophobicContact CD1-CG 4.09Å; F1327-E1329 HydrophobicContact CE1-CG 4.09Å; F1327-E1329 PolarHBondContact O-N 2.89Å; F1327-F1334 HydrophobicContact CB-CD1 4.17Å; F1327-F1334 HydrophobicContact CB-CE1 4.02Å; F1327-F1334 HydrophobicContact CD2-CD1 4.04Å; F1327-F1334 HydrophobicContact CD2-CD2 4.07Å; F1327-F1334 AromaticContact CD2-CE1 3.71Å; F1327-F1334 HydrophobicContact CD2-CE1 3.71Å; F1327-F1334 AromaticContact CD2-CE2 3.71Å; F1327-F1334 HydrophobicContact CD2-CE2 3.71Å; F1327-F1334 HydrophobicContact CD2-CG 4.21Å; F1327-F1334 AromaticContact CD2-CZ 3.52Å; F1327-F1334 HydrophobicContact CD2-CZ 3.52Å; F1327-F1334 AromaticContact CE2-CE2 3.97Å; F1327-F1334 HydrophobicContact CE2-CE2 3.97Å; F1327-F1334 HydrophobicContact CE2-CZ 4.05Å; F1327-F1334 HydrophobicContact CG-CE1 4.24Å; F1327-F1334 HydrophobicContact CG-CZ 4.38Å
1328R70.9Confident82.5Confident27 Ų2760.9 Ų60.910%0.10232%0.316CS..EExtended strand (participates in β ladder)trans-88.6105.2171.8-72.8-173.1-170.8168.613.3111G1330 E1331 T1333 I1335R1328-G1330 PolarHBondContact O-N 2.83Å; R1328-E1331 HydrophobicContact CB-CB 4.14Å; R1328-E1331 VanDerWaalsContact CD-CD 3.49Å; R1328-E1331 WeakPolarHBondContact CD-OE2 3.18Å; R1328-E1331 IonicContact CZ-OE2 3.19Å; R1328-E1331 IonicContact NE-OE2 3.8Å; R1328-E1331 IonicContact NH1-OE1 2.7Å; R1328-E1331 PolarHBondContact NH1-OE1 3.37Å; R1328-E1331 IonicContact NH1-OE2 3.03Å; R1328-E1331 PolarHBondContact NH1-OE2 2.93Å; R1328-E1331 PolarHBondContact O-N 2.73Å; R1328-T1333 PolarHBondContact N-O 3.26Å; R1328-I1335 HydrophobicContact CG-CD1 3.87Å; R1328-I1335 HydrophobicContact CG-CG1 3.88Å
1329E62.7Low82.8Confident176 Ų17664 Ų6482%0.82233%0.328SS*.THydrogen-bonded Turntrans-56.4134.1167.7-61.1-169169.900110.4F1327 E1331F1327-E1329 HydrophobicContact CD1-CG 4.09Å; F1327-E1329 HydrophobicContact CE1-CG 4.09Å; F1327-E1329 PolarHBondContact O-N 2.89Å; E1329-E1331 PolarHBondContact O-N 3.12Å
1330G58.1Low83Confident53 Ų5361.1 Ų61.155%0.54632%0.317SS..THydrogen-bonded Turntrans92.3-28.5-178.400000115.8R1328R1328-G1330 PolarHBondContact O-N 2.83Å
1331E61.7Low83.2Confident48 Ų4861.2 Ų61.222%0.22432%0.315CS..THydrogen-bonded Turntrans-92.8-21.1176.9-72.8173.6-14900113.1Q179 Q1302 R1328 E1329 T1333Q179-E1331 PolarHBondContact NE2-OE1 3.47Å; Q1302-E1331 PolarHBondContact NE2-OE2 3.31Å; R1328-E1331 HydrophobicContact CB-CB 4.14Å; R1328-E1331 VanDerWaalsContact CD-CD 3.49Å; R1328-E1331 WeakPolarHBondContact CD-OE2 3.18Å; R1328-E1331 IonicContact CZ-OE2 3.19Å; R1328-E1331 IonicContact NE-OE2 3.8Å; R1328-E1331 IonicContact NH1-OE1 2.7Å; R1328-E1331 PolarHBondContact NH1-OE1 3.37Å; R1328-E1331 IonicContact NH1-OE2 3.03Å; R1328-E1331 PolarHBondContact NH1-OE2 2.93Å; R1328-E1331 PolarHBondContact O-N 2.73Å; E1329-E1331 PolarHBondContact O-N 3.12Å; E1331-T1333 WeakPolarHBondContact CB-OG1 3.36Å; E1331-T1333 PolarHBondContact O-N 2.87Å; E1331-T1333 PolarHBondContact OE2-OG1 3.31Å
1332N74.2Confident83Confident118 Ų11855 Ų5563%0.63129%0.292SS*.THydrogen-bonded Turntrans56.329-169.5-65.8-21.7000113.4
1333T78Confident82.5Confident19 Ų1953.3 Ų53.312%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-123.6146.9177.257.80000111.6Q1302 A1303 R1304 R1328 E1331Q1302-T1333 HydrophobicContact CG-CG2 4.24Å; Q1302-T1333 PolarHBondContact NE2-OG1 3.07Å; A1303-T1333 CarbonylContact O-C 3.49Å; A1303-T1333 WeakPolarHBondContact O-CA 3.33Å; R1304-T1333 HydrophobicContact CG-CG2 4.17Å; R1328-T1333 PolarHBondContact N-O 3.26Å; E1331-T1333 WeakPolarHBondContact CB-OG1 3.36Å; E1331-T1333 PolarHBondContact O-N 2.87Å; E1331-T1333 PolarHBondContact OE2-OG1 3.31Å
1334F86.9Confident82.2Confident51 Ų5149.2 Ų49.222%0.22426%0.255CS..EExtended strand (participates in β ladder)trans-93134.9170.7-65.4-99.1000109.1Q1302 A1303 L1308 D1326 F1327 I1336Q1302-F1334 WeakPolarHBondContact CA-O 3.31Å; A1303-F1334 PolarHBondContact N-O 3.27Å; A1303-F1334 PolarHBondContact O-N 3.4Å; L1308-F1334 HydrophobicContact CD1-CD2 4.07Å; L1308-F1334 HydrophobicContact CD1-CE2 4.29Å; L1308-F1334 HydrophobicContact CD1-CG 4.33Å; L1308-F1334 HydrophobicContact CD2-CB 4.27Å; L1308-F1334 HydrophobicContact CD2-CD2 4.5Å; L1308-F1334 HydrophobicContact CD2-CG 4.48Å; D1326-F1334 CarbonylContact O-C 3.48Å; D1326-F1334 WeakPolarHBondContact O-CA 3.35Å; F1327-F1334 HydrophobicContact CB-CD1 4.17Å; F1327-F1334 HydrophobicContact CB-CE1 4.02Å; F1327-F1334 HydrophobicContact CD2-CD1 4.04Å; F1327-F1334 HydrophobicContact CD2-CD2 4.07Å; F1327-F1334 AromaticContact CD2-CE1 3.71Å; F1327-F1334 HydrophobicContact CD2-CE1 3.71Å; F1327-F1334 AromaticContact CD2-CE2 3.71Å; F1327-F1334 HydrophobicContact CD2-CE2 3.71Å; F1327-F1334 HydrophobicContact CD2-CG 4.21Å; F1327-F1334 AromaticContact CD2-CZ 3.52Å; F1327-F1334 HydrophobicContact CD2-CZ 3.52Å; F1327-F1334 AromaticContact CE2-CE2 3.97Å; F1327-F1334 HydrophobicContact CE2-CE2 3.97Å; F1327-F1334 HydrophobicContact CE2-CZ 4.05Å; F1327-F1334 HydrophobicContact CG-CE1 4.24Å; F1327-F1334 HydrophobicContact CG-CZ 4.38Å; F1334-I1336 HydrophobicContact CB-CD1 4.35Å; F1334-I1336 HydrophobicContact CB-CG1 4.27Å
1335I85.9Confident81.8Confident24 Ų2447.9 Ų47.912%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-87.3135159.6-36.3167.9000106.6E1300 L1301 D1326 R1328E1300-I1335 HydrophobicContact CG-CG2 3.61Å; L1301-I1335 CarbonylContact O-C 3.58Å; L1301-I1335 WeakPolarHBondContact O-CA 3.45Å; D1326-I1335 HydrophobicContact CB-CB 4.3Å; D1326-I1335 HydrophobicContact CB-CD1 4.26Å; D1326-I1335 PolarHBondContact N-O 3.3Å; D1326-I1335 PolarHBondContact O-N 3.25Å; R1328-I1335 HydrophobicContact CG-CD1 3.87Å; R1328-I1335 HydrophobicContact CG-CG1 3.88Å
1336I90.2Very high81.2Confident1 Ų144.4 Ų44.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-129.4114.3-179.5-59.7159.5000107.2L1301 A1303 L1308 M1311 F1312 V1322 E1325 F1334L1301-I1336 HydrophobicContact CB-CB 4.49Å; L1301-I1336 PolarHBondContact N-O 3.05Å; L1301-I1336 PolarHBondContact O-N 3.17Å; A1303-I1336 HydrophobicContact CB-CD1 4.18Å; L1308-I1336 HydrophobicContact CD2-CD1 3.42Å; L1308-I1336 VanDerWaalsContact CD2-CD1 3.42Å; M1311-I1336 HydrophobicContact CE-CB 4.35Å; M1311-I1336 HydrophobicContact CE-CD1 3.32Å; M1311-I1336 HydrophobicContact CE-CG1 4.38Å; M1311-I1336 HydrophobicContact CE-CG2 4.09Å; M1311-I1336 HydrophobicContact SD-CD1 3.89Å; F1312-I1336 HydrophobicContact CE1-CD1 4.4Å; F1312-I1336 HydrophobicContact CE1-CG2 4Å; F1312-I1336 HydrophobicContact CZ-CD1 4.16Å; V1322-I1336 HydrophobicContact CG1-CG2 3.93Å; E1325-I1336 HydrophobicContact CG-CG1 4.49Å; E1325-I1336 HydrophobicContact CG-CG2 4.48Å; F1334-I1336 HydrophobicContact CB-CD1 4.35Å; F1334-I1336 HydrophobicContact CB-CG1 4.27Å
1337S90.3Very high80.8Confident33 Ų3341.8 Ų41.823%0.23122%0.22CC..EExtended strand (participates in β ladder)trans-89.5124174.5-53.60000108.2L1299 V1323 S1324L1299-S1337 CarbonylContact O-C 3.49Å; L1299-S1337 WeakPolarHBondContact O-CA 3.49Å; V1323-S1337 PolarHBondContact N-O 3.05Å; S1324-S1337 PolarHBondContact N-O 3.11Å; S1324-S1337 PolarHBondContact O-N 2.8Å; S1324-S1337 VanDerWaalsContact OG-CB 3.25Å; S1324-S1337 WeakPolarHBondContact OG-CB 3.49Å; S1324-S1337 PolarHBondContact OG-OG 3.29Å
1338A91.7Very high80.8Confident1 Ų136.9 Ų36.91%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-136.6163.5179.400000111.3D1298 L1299 L1315 R1321D1298-A1338 CarbonylContact C-O 3.44Å; L1299-A1338 HydrophobicContact CB-CB 4.24Å; L1299-A1338 WeakPolarHBondContact CB-O 3.36Å; L1299-A1338 PolarHBondContact N-O 2.91Å; L1299-A1338 PolarHBondContact O-N 3.16Å; L1315-A1338 HydrophobicContact CD1-CB 4.2Å; R1321-A1338 CarbonylContact O-C 3.49Å; R1321-A1338 VanDerWaalsContact O-CA 3.29Å; R1321-A1338 WeakPolarHBondContact O-CA 3.31Å
1339R91.4Very high81.3Confident101 Ų10137 Ų3738%0.38121%0.205SC..EExtended strand (participates in β ladder)trans-117.4132.1174.2-86.5178.7175.1-174.2-2.6109.8V1296 Y1297 D1298 G1320 R1321 V1323V1296-R1339 HydrophobicContact CG1-CB 3.75Å; V1296-R1339 HydrophobicContact CG1-CG 3.93Å; Y1297-R1339 WeakPolarHBondContact O-CA 3.37Å; D1298-R1339 WeakPolarHBondContact OD1-CG 3.38Å; D1298-R1339 IonicContact OD1-CZ 3.65Å; D1298-R1339 IonicContact OD1-NE 2.69Å; D1298-R1339 PolarHBondContact OD1-NE 3.25Å; D1298-R1339 IonicContact OD1-NH2 3.83Å; D1298-R1339 IonicContact OD2-NH2 2.65Å; G1320-R1339 CarbonylContact C-O 3.58Å; G1320-R1339 WeakPolarHBondContact CA-O 3.47Å; R1321-R1339 PolarHBondContact N-O 3.3Å; R1321-R1339 PolarHBondContact O-N 3.46Å; V1323-R1339 HydrophobicContact CG2-CB 4.44Å; V1323-R1339 HydrophobicContact CG2-CG 4.02Å
1340L89.7Confident82.1Confident0 Ų033.5 Ų33.50%019%0.192CC..EExtended strand (participates in β ladder)trans-135.6131.2-178.2-173.873.6000111.2V1296 Y1297 L1299 R1318 V1342 E1344 L1348V1296-L1340 WeakPolarHBondContact CA-O 3.45Å; Y1297-L1340 PolarHBondContact N-O 3.4Å; Y1297-L1340 PolarHBondContact O-N 2.88Å; L1299-L1340 HydrophobicContact CD1-CB 3.58Å; L1299-L1340 HydrophobicContact CD1-CD2 3.93Å; L1299-L1340 HydrophobicContact CD1-CG 4.33Å; L1299-L1340 HydrophobicContact CG-CB 4.41Å; R1318-L1340 HydrophobicContact CB-CD1 3.78Å; R1318-L1340 WeakPolarHBondContact O-CD1 3.41Å; L1340-V1342 PolarHBondContact O-N 3.49Å; L1340-E1344 HydrophobicContact CD1-CB 4.3Å; L1340-E1344 HydrophobicContact CG-CB 4.43Å; L1340-L1348 HydrophobicContact CD2-CD1 4.16Å; L1340-L1348 HydrophobicContact CD2-CD2 3.64Å; L1340-L1348 HydrophobicContact CD2-CG 4.38Å
1341P88.1Confident83.4Confident17 Ų1732.6 Ų32.611%0.1117%0.174CC..EExtended strand (participates in β ladder)trans-55.9134.7172.7-25.335.5000111.9I1294 I1343 E1344 S1345I1294-P1341 HydrophobicContact CD1-CB 3.94Å; I1294-P1341 HydrophobicContact CG1-CB 4.44Å; P1341-I1343 HydrophobicContact CB-CG2 4.39Å; P1341-I1343 PolarHBondContact O-N 3.26Å; P1341-I1343 VanDerWaalsContact O-N 3.16Å; P1341-E1344 HydrophobicContact CB-CB 4.38Å; P1341-E1344 HydrophobicContact CB-CG 4.16Å; P1341-E1344 HydrophobicContact CG-CG 4.45Å; P1341-E1344 PolarHBondContact O-N 2.88Å; P1341-S1345 PolarHBondContact O-N 3.26Å
1342V84.3Confident84.6Confident2 Ų230.4 Ų30.41%0.01216%0.164CC..G310 helixtrans-54.8-38.2-178.9171.40000111.4V720 V797 A1295 Y1297 L1340 E1344 S1345V720-V1342 HydrophobicContact CG1-CG1 3.76Å; V720-V1342 HydrophobicContact CG1-CG2 4.23Å; V797-V1342 HydrophobicContact CB-CG1 4.43Å; V797-V1342 HydrophobicContact CG1-CB 3.96Å; V797-V1342 HydrophobicContact CG1-CG1 3.88Å; V797-V1342 HydrophobicContact CG2-CB 4.2Å; V797-V1342 HydrophobicContact CG2-CG1 3.61Å; A1295-V1342 HydrophobicContact CB-CB 4.24Å; A1295-V1342 HydrophobicContact CB-CG2 3.66Å; A1295-V1342 WeakPolarHBondContact O-CG2 3.39Å; A1295-V1342 PolarHBondContact O-N 3.25Å; Y1297-V1342 HydrophobicContact CD1-CG2 4.19Å; Y1297-V1342 HydrophobicContact CD2-CB 4.14Å; Y1297-V1342 HydrophobicContact CD2-CG1 4.43Å; Y1297-V1342 HydrophobicContact CD2-CG2 3.67Å; Y1297-V1342 HydrophobicContact CE1-CG2 4.11Å; Y1297-V1342 HydrophobicContact CE2-CB 3.87Å; Y1297-V1342 HydrophobicContact CE2-CG1 3.67Å; Y1297-V1342 HydrophobicContact CE2-CG2 3.61Å; Y1297-V1342 HydrophobicContact CG-CG2 4Å; L1340-V1342 PolarHBondContact O-N 3.49Å; V1342-E1344 PolarHBondContact O-N 3.4Å; V1342-S1345 PolarHBondContact O-N 2.79Å; V1342-S1345 PolarHBondContact O-OG 2.93Å
1343I82.4Confident84.9Confident26 Ų2630 Ų3013%0.13315%0.153CC..G310 helixtrans-69.5-12.6179.8-160.2157000114.2V797 I1294 P1341 Y1442V797-I1343 HydrophobicContact CG2-CB 3.96Å; V797-I1343 HydrophobicContact CG2-CG1 4.35Å; I1294-I1343 HydrophobicContact CD1-CG2 4.01Å; P1341-I1343 HydrophobicContact CB-CG2 4.39Å; P1341-I1343 PolarHBondContact O-N 3.26Å; P1341-I1343 VanDerWaalsContact O-N 3.16Å; I1343-Y1442 HydrophobicContact CD1-CD1 3.39Å; I1343-Y1442 HydrophobicContact CD1-CD2 4.08Å; I1343-Y1442 HydrophobicContact CD1-CE1 3.45Å; I1343-Y1442 VanDerWaalsContact CD1-CE1 3.45Å; I1343-Y1442 HydrophobicContact CD1-CE2 4.15Å; I1343-Y1442 HydrophobicContact CD1-CG 3.71Å; I1343-Y1442 HydrophobicContact CG1-CD1 4.29Å; I1343-Y1442 HydrophobicContact CG1-CE1 3.84Å; I1343-Y1442 HydrophobicContact CG1-CE2 4.38Å; I1343-Y1442 HydrophobicContact CG2-CD2 4.18Å; I1343-Y1442 HydrophobicContact CG2-CE2 3.62Å
1344E84.5Confident85.3Confident8 Ų838 Ų384%0.03719%0.187CC..G310 helixtrans-104.71.2177.4-63.4-71.3171.600112.7R1318 Y1319 L1340 P1341 V1342 R1438 Y1442R1318-E1344 HydrophobicContact CB-CB 4.16Å; R1318-E1344 PolarHBondContact NH1-O 3.2Å; R1318-E1344 WeakPolarHBondContact O-CB 3.47Å; Y1319-E1344 HydrophobicContact CD2-CG 4.47Å; L1340-E1344 HydrophobicContact CD1-CB 4.3Å; L1340-E1344 HydrophobicContact CG-CB 4.43Å; P1341-E1344 HydrophobicContact CB-CB 4.38Å; P1341-E1344 HydrophobicContact CB-CG 4.16Å; P1341-E1344 HydrophobicContact CG-CG 4.45Å; P1341-E1344 PolarHBondContact O-N 2.88Å; V1342-E1344 PolarHBondContact O-N 3.4Å; E1344-R1438 IonicContact OE1-CZ 2.76Å; E1344-R1438 IonicContact OE1-NE 3.7Å; E1344-R1438 PolarHBondContact OE1-NE 3.1Å; E1344-R1438 VanDerWaalsContact OE1-NE 3.1Å; E1344-R1438 IonicContact OE1-NH1 3.58Å; E1344-R1438 PolarHBondContact OE1-NH1 3.23Å; E1344-R1438 IonicContact OE1-NH2 3.43Å; E1344-R1438 PolarHBondContact OE1-NH2 2.81Å; E1344-R1438 IonicContact OE2-CZ 3.92Å; E1344-R1438 IonicContact OE2-NH1 2.69Å; E1344-R1438 PolarHBondContact OE2-NH1 2.99Å; E1344-R1438 IonicContact OE2-NH2 2.78Å; E1344-R1438 PolarHBondContact OE2-NH2 3.08Å; E1344-Y1442 PolarHBondContact OE1-OH 3.17Å; E1344-Y1442 VanDerWaalsContact OE1-OH 3.08Å
1345S82.3Confident85.3Confident9 Ų939.6 Ų39.66%0.06319%0.191CC..  trans-82.6-20.5-178.272.30000114.5Y1297 P1341 V1342 G1347 L1348Y1297-S1345 WeakPolarHBondContact CE2-OG 3.5Å; P1341-S1345 PolarHBondContact O-N 3.26Å; V1342-S1345 PolarHBondContact O-N 2.79Å; V1342-S1345 PolarHBondContact O-OG 2.93Å; S1345-G1347 PolarHBondContact O-N 3.08Å; S1345-L1348 WeakPolarHBondContact O-CB 3.29Å; S1345-L1348 PolarHBondContact O-N 2.82Å
1346F78.9Confident85.2Confident37 Ų3738.4 Ų38.416%0.16219%0.185CC..THydrogen-bonded Turntrans-57.7126.1-176.9-59.6-72.5000112.3I721 E770 F795 R1318 L1348I721-F1346 HydrophobicContact CD1-CE1 3.7Å; I721-F1346 HydrophobicContact CD1-CZ 4.36Å; I721-F1346 HydrophobicContact CG1-CE1 3.84Å; I721-F1346 HydrophobicContact CG1-CZ 4Å; I721-F1346 HydrophobicContact CG2-CE1 4Å; I721-F1346 HydrophobicContact CG2-CZ 4.12Å; E770-F1346 HydrophobicContact CB-CD1 4.36Å; E770-F1346 HydrophobicContact CG-CD1 4.36Å; E770-F1346 WeakPolarHBondContact OE2-CA 3.34Å; F795-F1346 HydrophobicContact CB-CE1 4.12Å; F795-F1346 HydrophobicContact CB-CE2 4.02Å; F795-F1346 HydrophobicContact CB-CZ 3.59Å; F795-F1346 HydrophobicContact CD1-CE1 4.12Å; F795-F1346 HydrophobicContact CD1-CZ 4.43Å; F795-F1346 HydrophobicContact CD2-CD1 4.15Å; F795-F1346 HydrophobicContact CD2-CE1 4.03Å; F795-F1346 HydrophobicContact CD2-CE2 4.41Å; F795-F1346 HydrophobicContact CD2-CG 4.4Å; F795-F1346 HydrophobicContact CD2-CZ 4.18Å; F795-F1346 HydrophobicContact CE2-CD1 4.36Å; F795-F1346 HydrophobicContact CG-CD1 4.39Å; F795-F1346 AromaticContact CG-CE1 3.81Å; F795-F1346 HydrophobicContact CG-CE1 3.81Å; F795-F1346 HydrophobicContact CG-CE2 4.38Å; F795-F1346 AromaticContact CG-CZ 3.82Å; F795-F1346 HydrophobicContact CG-CZ 3.82Å; R1318-F1346 PolarHBondContact NH1-O 2.67Å; R1318-F1346 PolarHBondContact NH2-O 2.66Å; F1346-L1348 PolarHBondContact O-N 3.21Å
1347G80.3Confident84.7Confident23 Ų2343.1 Ų43.124%0.23722%0.218CC..THydrogen-bonded Turntrans6214.4-173.300000116.5E770 S1345 A1349 D1350 E1351E770-G1347 PolarHBondContact OE2-N 2.8Å; S1345-G1347 PolarHBondContact O-N 3.08Å; G1347-A1349 VanDerWaalsContact C-N 3.33Å; G1347-A1349 PolarHBondContact O-N 3.18Å; G1347-D1350 PolarHBondContact O-N 3.49Å; G1347-E1351 PolarHBondContact O-N 3.41Å; G1347-E1351 VanDerWaalsContact O-N 3.1Å
1348L85.1Confident83.7Confident1 Ų143.6 Ų43.61%0.00523%0.228CC..Hα-helixtrans-59.7-43.7176.4176.876000111.6L1299 V1314 L1340 S1345 F1346 D1350 E1351 I1352 P1363 L1365L1299-L1348 HydrophobicContact CD1-CD2 3.92Å; L1299-L1348 HydrophobicContact CD2-CD2 3.99Å; V1314-L1348 HydrophobicContact CG1-CD1 3.84Å; L1340-L1348 HydrophobicContact CD2-CD1 4.16Å; L1340-L1348 HydrophobicContact CD2-CD2 3.64Å; L1340-L1348 HydrophobicContact CD2-CG 4.38Å; S1345-L1348 WeakPolarHBondContact O-CB 3.29Å; S1345-L1348 PolarHBondContact O-N 2.82Å; F1346-L1348 PolarHBondContact O-N 3.21Å; L1348-D1350 VanDerWaalsContact C-N 3.32Å; L1348-D1350 PolarHBondContact O-N 2.95Å; L1348-E1351 PolarHBondContact O-N 3.45Å; L1348-I1352 HydrophobicContact CD1-CD1 3.96Å; L1348-I1352 HydrophobicContact CD1-CG1 4.27Å; L1348-I1352 HydrophobicContact CD2-CD1 4.29Å; L1348-I1352 HydrophobicContact CG-CD1 3.83Å; L1348-I1352 HydrophobicContact CG-CG1 4.36Å; L1348-I1352 WeakPolarHBondContact O-CG1 3.45Å; L1348-I1352 PolarHBondContact O-N 3.02Å; L1348-P1363 HydrophobicContact CD2-CB 3.84Å; L1348-P1363 HydrophobicContact CD2-CG 3.99Å; L1348-P1363 HydrophobicContact CG-CG 4.28Å; L1348-L1365 HydrophobicContact CD2-CD2 4.41Å
1349A80.1Confident83Confident29 Ų2946.8 Ų46.824%0.2425%0.247CC..Hα-helixtrans-58.3-44.6-178.800000111.6G1347 R1353 L1362 P1363G1347-A1349 VanDerWaalsContact C-N 3.33Å; G1347-A1349 PolarHBondContact O-N 3.18Å; A1349-R1353 WeakPolarHBondContact O-CB 3.46Å; A1349-R1353 PolarHBondContact O-N 3.28Å; A1349-L1362 HydrophobicContact CB-CD2 4.04Å; A1349-P1363 HydrophobicContact CB-CG 3.81Å
1350D80.2Confident82.4Confident102 Ų10242.4 Ų42.455%0.54523%0.232SC..Hα-helixtrans-71.6-37.3178.7-65.2-42.7000112.7G1347 L1348 K1354G1347-D1350 PolarHBondContact O-N 3.49Å; L1348-D1350 VanDerWaalsContact C-N 3.32Å; L1348-D1350 PolarHBondContact O-N 2.95Å; D1350-K1354 WeakPolarHBondContact O-CB 3.45Å; D1350-K1354 PolarHBondContact O-N 2.95Å
1351E86.3Confident81.5Confident35 Ų3543.5 Ų43.516%0.16424%0.239CC..Hα-helixtrans-66-42.8175.2-170.5175.5179.500111.8V1314 R1317 R1318 G1347 L1348 R1355V1314-E1351 HydrophobicContact CG1-CB 4.36Å; V1314-E1351 HydrophobicContact CG1-CG 4.03Å; V1314-E1351 HydrophobicContact CG2-CG 4.11Å; R1317-E1351 IonicContact CZ-OE1 3.2Å; R1317-E1351 IonicContact NH1-OE1 3.33Å; R1317-E1351 PolarHBondContact NH1-OE1 2.95Å; R1318-E1351 IonicContact CZ-OE2 3.33Å; R1318-E1351 VanDerWaalsContact CZ-OE2 3.24Å; R1318-E1351 IonicContact NE-OE2 3.94Å; R1318-E1351 PolarHBondContact NE-OE2 2.88Å; R1318-E1351 IonicContact NH2-OE2 2.8Å; R1318-E1351 PolarHBondContact NH2-OE2 3.33Å; G1347-E1351 PolarHBondContact O-N 3.41Å; G1347-E1351 VanDerWaalsContact O-N 3.1Å; L1348-E1351 PolarHBondContact O-N 3.45Å; E1351-R1355 WeakPolarHBondContact O-CB 3.48Å; E1351-R1355 WeakPolarHBondContact O-CG 3.2Å; E1351-R1355 PolarHBondContact O-N 2.71Å; E1351-R1355 IonicContact OE1-NH1 2.82Å
1352I86.4Confident80.7Confident1 Ų143.9 Ų43.91%0.00524%0.24CC..Hα-helixtrans-61.1-55.8173.2-69177.4000109.3L1301 V1314 L1348 K1354 R1355 T1356 V1360 P1363L1301-I1352 HydrophobicContact CD1-CD1 4.15Å; L1301-I1352 HydrophobicContact CD2-CD1 4.1Å; V1314-I1352 HydrophobicContact CB-CG1 4.36Å; V1314-I1352 HydrophobicContact CG1-CG1 4.03Å; V1314-I1352 HydrophobicContact CG2-CG1 4.48Å; L1348-I1352 HydrophobicContact CD1-CD1 3.96Å; L1348-I1352 HydrophobicContact CD1-CG1 4.27Å; L1348-I1352 HydrophobicContact CD2-CD1 4.29Å; L1348-I1352 HydrophobicContact CG-CD1 3.83Å; L1348-I1352 HydrophobicContact CG-CG1 4.36Å; L1348-I1352 WeakPolarHBondContact O-CG1 3.45Å; L1348-I1352 PolarHBondContact O-N 3.02Å; I1352-K1354 VanDerWaalsContact C-N 3.3Å; I1352-K1354 PolarHBondContact O-N 3.2Å; I1352-R1355 PolarHBondContact O-N 2.94Å; I1352-R1355 VanDerWaalsContact O-N 3.09Å; I1352-T1356 HydrophobicContact CG2-CG2 4.33Å; I1352-T1356 PolarHBondContact O-N 3.26Å; I1352-T1356 PolarHBondContact O-OG1 3.25Å; I1352-V1360 HydrophobicContact CG2-CB 3.84Å; I1352-V1360 HydrophobicContact CG2-CG1 3.8Å; I1352-P1363 HydrophobicContact CD1-CG 4.43Å
1353R80.3Confident80.3Confident111 Ų11144.5 Ų44.542%0.41924%0.244SC..Hα-helixtrans-53.8-44.4-179.9-179.1-178.2-83.4-176.8-13.4111.8A1349 S1357 G1358A1349-R1353 WeakPolarHBondContact O-CB 3.46Å; A1349-R1353 PolarHBondContact O-N 3.28Å; R1353-S1357 CarbonylContact O-C 3.58Å; R1353-S1357 VanDerWaalsContact O-CA 3.31Å; R1353-S1357 WeakPolarHBondContact O-CA 3.41Å; R1353-S1357 PolarHBondContact O-N 2.86Å; R1353-G1358 PolarHBondContact O-N 2.88Å
1354K85.9Confident79.7Confident187 Ų18743.7 Ų43.781%0.81324%0.24SC*.Hα-helixtrans-67.4-38.1178.6-173.3173-177.7174.70113D1350 I1352D1350-K1354 WeakPolarHBondContact O-CB 3.45Å; D1350-K1354 PolarHBondContact O-N 2.95Å; I1352-K1354 VanDerWaalsContact C-N 3.3Å; I1352-K1354 PolarHBondContact O-N 3.2Å
1355R87.7Confident79.3Confident83 Ų8345.7 Ų45.731%0.31325%0.251SS..Hα-helixtrans-81.1-30.5179.8-78.7-161.8169.2171.9-19.9114.7R1310 G1313 V1314 R1317 E1351 I1352R1310-R1355 VanDerWaalsContact CD-O 3.23Å; R1310-R1355 WeakPolarHBondContact CD-O 3.09Å; R1310-R1355 PolarHBondContact NH1-O 3.08Å; G1313-R1355 PolarHBondContact O-NH1 2.7Å; V1314-R1355 HydrophobicContact CG2-CB 4.45Å; V1314-R1355 HydrophobicContact CG2-CG 4.38Å; R1317-R1355 VanDerWaalsContact CZ-NH2 3.26Å; R1317-R1355 VanDerWaalsContact NH1-NH2 3.12Å; R1317-R1355 VanDerWaalsContact NH2-NH2 3.12Å; E1351-R1355 WeakPolarHBondContact O-CB 3.48Å; E1351-R1355 WeakPolarHBondContact O-CG 3.2Å; E1351-R1355 PolarHBondContact O-N 2.71Å; E1351-R1355 IonicContact OE1-NH1 2.82Å; I1352-R1355 PolarHBondContact O-N 2.94Å; I1352-R1355 VanDerWaalsContact O-N 3.09Å
1356T84.2Confident78.8Confident0 Ų050.9 Ų50.90%027%0.269CS..THydrogen-bonded Turntrans-103.49.1-177.870.90000112.4V1307 R1310 I1352 G1358 V1359 V1360V1307-T1356 HydrophobicContact CB-CG2 4.32Å; R1310-T1356 HydrophobicContact CB-CG2 4.43Å; I1352-T1356 HydrophobicContact CG2-CG2 4.33Å; I1352-T1356 PolarHBondContact O-N 3.26Å; I1352-T1356 PolarHBondContact O-OG1 3.25Å; T1356-G1358 PolarHBondContact O-N 3.16Å; T1356-G1358 VanDerWaalsContact O-N 3.15Å; T1356-V1359 VanDerWaalsContact O-CB 3.29Å; T1356-V1359 WeakPolarHBondContact O-CB 3.26Å; T1356-V1359 VanDerWaalsContact O-CG2 3.3Å; T1356-V1359 WeakPolarHBondContact O-CG2 3.31Å; T1356-V1359 PolarHBondContact O-N 2.68Å; T1356-V1360 HydrophobicContact CG2-CB 4.23Å; T1356-V1360 HydrophobicContact CG2-CG2 3.64Å; T1356-V1360 PolarHBondContact OG1-N 3.46Å
1357S78.7Confident78.5Confident100 Ų10053.4 Ų53.470%0.69929%0.289SS*.THydrogen-bonded Turntrans5232.8-175.8-52.80000113.7R1353 V1359R1353-S1357 CarbonylContact O-C 3.58Å; R1353-S1357 VanDerWaalsContact O-CA 3.31Å; R1353-S1357 WeakPolarHBondContact O-CA 3.41Å; R1353-S1357 PolarHBondContact O-N 2.86Å; S1357-V1359 VanDerWaalsContact C-N 3.31Å; S1357-V1359 PolarHBondContact O-N 2.87Å
1358G69.8Low78.1Confident43 Ų4353.2 Ų53.244%0.44329%0.287SS..THydrogen-bonded Turntrans75.36.3-176.300000116.3R1353 T1356 V1360R1353-G1358 PolarHBondContact O-N 2.88Å; T1356-G1358 PolarHBondContact O-N 3.16Å; T1356-G1358 VanDerWaalsContact O-N 3.15Å; G1358-V1360 VanDerWaalsContact C-N 3.35Å
1359V76.1Confident77.9Confident68 Ų6854.8 Ų54.841%0.41230%0.304SS..  trans-75.6-20.1-178.5-179.90000113.6R1304 V1307 T1356 S1357R1304-V1359 HydrophobicContact CB-CG1 4.4Å; R1304-V1359 HydrophobicContact CG-CG1 4.4Å; V1307-V1359 HydrophobicContact CG1-CB 4.19Å; V1307-V1359 HydrophobicContact CG1-CG1 4.21Å; V1307-V1359 HydrophobicContact CG2-CB 4.5Å; V1307-V1359 HydrophobicContact CG2-CG1 4.09Å; T1356-V1359 VanDerWaalsContact O-CB 3.29Å; T1356-V1359 WeakPolarHBondContact O-CB 3.26Å; T1356-V1359 VanDerWaalsContact O-CG2 3.3Å; T1356-V1359 WeakPolarHBondContact O-CG2 3.31Å; T1356-V1359 PolarHBondContact O-N 2.68Å; S1357-V1359 VanDerWaalsContact C-N 3.31Å; S1357-V1359 PolarHBondContact O-N 2.87Å
1360V79.7Confident78.1Confident8 Ų856.7 Ų56.75%0.04831%0.305CS..SBendtrans-92.4138.2172.2175.80000108.6L1301 Q1302 A1303 V1307 M1311 I1352 T1356 G1358L1301-V1360 HydrophobicContact CD2-CG1 3.97Å; Q1302-V1360 WeakPolarHBondContact O-CA 3.48Å; A1303-V1360 HydrophobicContact CB-CG1 4.32Å; A1303-V1360 HydrophobicContact CB-CG2 3.76Å; V1307-V1360 HydrophobicContact CB-CG2 4.16Å; V1307-V1360 HydrophobicContact CG2-CG2 3.54Å; M1311-V1360 HydrophobicContact CG-CG1 4.31Å; M1311-V1360 HydrophobicContact SD-CG1 4.1Å; I1352-V1360 HydrophobicContact CG2-CB 3.84Å; I1352-V1360 HydrophobicContact CG2-CG1 3.8Å; T1356-V1360 HydrophobicContact CG2-CB 4.23Å; T1356-V1360 HydrophobicContact CG2-CG2 3.64Å; T1356-V1360 PolarHBondContact OG1-N 3.46Å; G1358-V1360 VanDerWaalsContact C-N 3.35Å
1361S71.4Confident78.4Confident23 Ų2354 Ų5416%0.16129%0.289CS..PPolyproline II helixtrans-58.9153.6178.770.40000112.1Q1302Q1302-S1361 PolarHBondContact N-OG 2.77Å; Q1302-S1361 PolarHBondContact O-N 2.73Å
1362L71Confident78.4Confident26 Ų2655.1 Ų55.114%0.13630%0.296CS..PPolyproline II helixtrans-56.7128.9172.7-78161.1000110.7V27 A1349 Q1364V27-L1362 HydrophobicContact CB-CD1 4.38Å; A1349-L1362 HydrophobicContact CB-CD2 4.04Å; L1362-Q1364 PolarHBondContact O-N 3.12Å; L1362-Q1364 PolarHBondContact O-NE2 3.02Å
1363P74.1Confident78.2Confident14 Ų1455.9 Ų55.99%0.09130%0.299CS..PPolyproline II helixtrans-58.3125.4179.620.4-30.9000111.2L1299 L1301 L1348 A1349 I1352L1299-P1363 HydrophobicContact CD2-CB 3.51Å; L1301-P1363 HydrophobicContact CD2-CB 3.9Å; L1348-P1363 HydrophobicContact CD2-CB 3.84Å; L1348-P1363 HydrophobicContact CD2-CG 3.99Å; L1348-P1363 HydrophobicContact CG-CG 4.28Å; A1349-P1363 HydrophobicContact CB-CG 3.81Å; I1352-P1363 HydrophobicContact CD1-CG 4.43Å
1364Q71.4Confident78Confident9 Ų956 Ų564%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-88105.7169.4-56.2-51.2-68.700109.2P132 L1299 L1362 R1366P132-Q1364 HydrophobicContact CB-CG 3.51Å; P132-Q1364 HydrophobicContact CG-CG 4.28Å; L1299-Q1364 WeakPolarHBondContact CA-O 3.47Å; L1362-Q1364 PolarHBondContact O-N 3.12Å; L1362-Q1364 PolarHBondContact O-NE2 3.02Å; Q1364-R1366 PolarHBondContact O-N 2.88Å
1365L75.8Confident77.4Confident51 Ų5148.4 Ų48.427%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-83.398.8175.7-63.9165.8000109Y1297 L1299 L1348Y1297-L1365 HydrophobicContact CD1-CB 4.08Å; Y1297-L1365 HydrophobicContact CD2-CB 4.1Å; Y1297-L1365 HydrophobicContact CD2-CD1 4.39Å; Y1297-L1365 HydrophobicContact CD2-CD2 3.61Å; Y1297-L1365 HydrophobicContact CD2-CG 4.25Å; Y1297-L1365 HydrophobicContact CE1-CB 4.36Å; Y1297-L1365 HydrophobicContact CE2-CB 4.34Å; Y1297-L1365 HydrophobicContact CE2-CD1 4.29Å; Y1297-L1365 HydrophobicContact CE2-CD2 4.32Å; Y1297-L1365 HydrophobicContact CG-CB 3.94Å; Y1297-L1365 HydrophobicContact CG-CD2 3.88Å; Y1297-L1365 HydrophobicContact CG-CG 4.46Å; L1299-L1365 HydrophobicContact CD2-CD2 3.46Å; L1299-L1365 VanDerWaalsContact CD2-CD2 3.46Å; L1299-L1365 HydrophobicContact CD2-CG 4.15Å; L1299-L1365 HydrophobicContact CG-CD2 4.07Å; L1348-L1365 HydrophobicContact CD2-CD2 4.41Å
1366R72.4Confident76.6Confident117 Ų11746.6 Ų46.644%0.44227%0.273SS..EExtended strand (participates in β ladder)trans-98.1138.7172.3-65.5-167.9-90.6123.5-14.4109.4Y1297 D1298 E1300 Q1364 G1368Y1297-R1366 CarbonylContact C-O 3.51Å; Y1297-R1366 WeakPolarHBondContact CA-O 3.27Å; D1298-R1366 PolarHBondContact N-O 2.85Å; D1298-R1366 PolarHBondContact O-N 3.18Å; E1300-R1366 IonicContact OE2-CZ 2.79Å; E1300-R1366 IonicContact OE2-NH2 3.22Å; E1300-R1366 PolarHBondContact OE2-NH2 2.77Å; Q1364-R1366 PolarHBondContact O-N 2.88Å; R1366-G1368 PolarHBondContact O-N 2.77Å; R1366-G1368 VanDerWaalsContact O-N 3.11Å
1367P71.5Confident75.9Confident91 Ų9147.9 Ų47.959%0.59128%0.282SS*.EExtended strand (participates in β ladder)trans-58.9116.6174.5-23.934.4000111.1
1368G72.9Confident75.2Confident18 Ų1847.8 Ų47.819%0.18627%0.272CS..EExtended strand (participates in β ladder)trans-1015.4-177.100000114.4V1296 D1298 R1366V1296-G1368 WeakPolarHBondContact O-CA 3.37Å; V1296-G1368 PolarHBondContact O-N 3.5Å; D1298-G1368 WeakPolarHBondContact OD2-CA 3.46Å; R1366-G1368 PolarHBondContact O-N 2.77Å; R1366-G1368 VanDerWaalsContact O-N 3.11Å
1369G80.6Confident74.9Confident35 Ų3551.2 Ų51.236%0.36128%0.277SS..EExtended strand (participates in β ladder)trans91.6-145.4-179.600000113.7V1296V1296-G1369 PolarHBondContact N-O 3.11Å
1370W84.5Confident73.9Confident69 Ų6954.9 Ų54.926%0.26129%0.287SS..EExtended strand (participates in β ladder)trans-119.3128.2-172.9-56.896.8000110.7P798 R800 Y1076 M1293 I1294 A1295P798-W1370 WeakPolarHBondContact O-CZ3 3.43Å; R800-W1370 HydrophobicContact CB-CE3 4.35Å; R800-W1370 HydrophobicContact CG-CD2 3.73Å; R800-W1370 HydrophobicContact CG-CE3 3.64Å; R800-W1370 HydrophobicContact CG-CG 4.5Å; R800-W1370 HydrophobicContact CG-CH2 3.81Å; R800-W1370 HydrophobicContact CG-CZ2 3.88Å; R800-W1370 HydrophobicContact CG-CZ3 3.68Å; Y1076-W1370 AromaticContact CE2-CD1 3.43Å; Y1076-W1370 VanDerWaalsContact CE2-CD1 3.43Å; Y1076-W1370 HydrophobicContact CE2-CG 4.22Å; Y1076-W1370 AromaticContact CE2-NE1 3.86Å; Y1076-W1370 AromaticContact CZ-CD1 3.63Å; M1293-W1370 HydrophobicContact CB-CB 4.2Å; M1293-W1370 HydrophobicContact CE-CB 3.69Å; M1293-W1370 WeakPolarHBondContact CE-O 3.34Å; M1293-W1370 HydrophobicContact SD-CB 4.37Å; I1294-W1370 WeakPolarHBondContact O-CA 3.49Å; A1295-W1370 HydrophobicContact CB-CE3 4.07Å; A1295-W1370 HydrophobicContact CB-CH2 4.2Å; A1295-W1370 HydrophobicContact CB-CZ3 3.71Å
1371E86.4Confident72.5Confident44 Ų4458.5 Ų58.521%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-109.2143.9175.4-171168.3-164.500110.4M1293 I1294 V1296 R1321M1293-E1371 CarbonylContact C-O 3.58Å; M1293-E1371 WeakPolarHBondContact CA-O 3.5Å; M1293-E1371 WeakPolarHBondContact CB-O 3.14Å; I1294-E1371 HydrophobicContact CG2-CB 4.39Å; I1294-E1371 PolarHBondContact N-O 2.74Å; I1294-E1371 PolarHBondContact O-N 3.13Å; V1296-E1371 HydrophobicContact CG2-CB 3.55Å; R1321-E1371 IonicContact CZ-OE1 2.71Å; R1321-E1371 VanDerWaalsContact CZ-OE1 3.3Å; R1321-E1371 IonicContact NE-OE1 3.3Å; R1321-E1371 IonicContact NH1-OE1 2.68Å; R1321-E1371 PolarHBondContact NH1-OE1 3.32Å
1372L86.2Confident70.9Confident60 Ų6062.6 Ų62.631%0.31433%0.331SS..EExtended strand (participates in β ladder)trans-65.1134176.6-173.869000110.4T802 I804 R1291 D1374T802-L1372 HydrophobicContact CG2-CD1 3.86Å; I804-L1372 HydrophobicContact CD1-CD2 4.1Å; I804-L1372 HydrophobicContact CG1-CD2 4.5Å; R1291-L1372 HydrophobicContact CB-CD1 3.67Å; R1291-L1372 HydrophobicContact CG-CD1 4.09Å; L1372-D1374 PolarHBondContact O-N 3.35Å
1373L82.3Confident69.1Low16 Ų1665.8 Ų65.88%0.08436%0.355CS..  trans-87.1107.4171.8-171.269.1000109.1L1292 I1375 V1439L1292-L1373 HydrophobicContact CB-CB 4.4Å; L1292-L1373 HydrophobicContact CB-CD2 3.92Å; L1292-L1373 HydrophobicContact CD1-CD2 4.35Å; L1292-L1373 WeakPolarHBondContact O-CB 3.49Å; L1292-L1373 PolarHBondContact O-N 2.91Å; L1373-I1375 HydrophobicContact CG-CB 4.44Å; L1373-I1375 PolarHBondContact O-N 3.1Å; L1373-V1439 HydrophobicContact CD1-CG1 3.95Å; L1373-V1439 HydrophobicContact CD1-CG2 4.08Å; L1373-V1439 HydrophobicContact CD2-CG1 3.63Å; L1373-V1439 HydrophobicContact CG-CG1 4.11Å
1374D75.6Confident67Low113 Ų11370 Ų7060%0.60438%0.384SS*.  trans-68.521.5-177.6-60.2-38.9000114.5R1321 L1372R1321-D1374 IonicContact NH2-OD2 2.98Å; R1321-D1374 PolarHBondContact NH2-OD2 3.34Å; L1372-D1374 PolarHBondContact O-N 3.35Å
1375I73.4Confident65.1Low29 Ų2975.9 Ų75.915%0.14942%0.421CS..SBendtrans-123.2132.7-178.6-67.5160.7000108.6L1373 P1377 I1436 V1439L1373-I1375 HydrophobicContact CG-CB 4.44Å; L1373-I1375 PolarHBondContact O-N 3.1Å; I1375-P1377 WeakPolarHBondContact O-CD 3.24Å; I1375-I1436 HydrophobicContact CD1-CG1 4.27Å; I1375-I1436 HydrophobicContact CG1-CG1 4.42Å; I1375-V1439 HydrophobicContact CB-CG1 4.31Å; I1375-V1439 HydrophobicContact CD1-CB 3.77Å; I1375-V1439 HydrophobicContact CD1-CG1 3.87Å; I1375-V1439 HydrophobicContact CD1-CG2 3.78Å; I1375-V1439 HydrophobicContact CG2-CG1 4.26Å
1376D70.9Confident63Low45 Ų4579.2 Ų79.224%0.24144%0.439CS..  trans-74119.7178.8-164.6-53.6000110.8R1291 L1378 Q1379R1291-D1376 IonicContact CZ-OD2 3.88Å; R1291-D1376 IonicContact NH1-OD1 2.73Å; R1291-D1376 IonicContact NH1-OD2 3.94Å; R1291-D1376 PolarHBondContact NH1-OD2 2.96Å; R1291-D1376 IonicContact NH2-OD2 2.74Å; R1291-D1376 PolarHBondContact NH2-OD2 3.49Å; D1376-L1378 PolarHBondContact O-N 3.12Å; D1376-L1378 WeakPolarHBondContact OD1-CB 3.34Å; D1376-L1378 PolarHBondContact OD1-N 2.95Å; D1376-Q1379 HydrophobicContact CB-CB 4.09Å; D1376-Q1379 PolarHBondContact O-N 2.77Å
1377P68.6Low61.1Low27 Ų2777.3 Ų77.318%0.17544%0.441CS..THydrogen-bonded Turntrans-69.2-12.8-177.429.4-35.2000113.6L1070 L1292 I1375 I1443L1070-P1377 HydrophobicContact CD1-CG 4.1Å; L1292-P1377 HydrophobicContact CD1-CB 4.1Å; L1292-P1377 HydrophobicContact CG-CB 4.26Å; L1292-P1377 HydrophobicContact CG-CG 4.41Å; I1375-P1377 WeakPolarHBondContact O-CD 3.24Å; P1377-I1443 HydrophobicContact CB-CD1 4.07Å
1378L65.4Low59.2Low97 Ų9782.7 Ų82.751%0.50845%0.454SS..THydrogen-bonded Turntrans-98.6-6179.3-56.9177000112.9L1070 D1376 K1380 L1458L1070-L1378 HydrophobicContact CD2-CD2 4.46Å; D1376-L1378 PolarHBondContact O-N 3.12Å; D1376-L1378 WeakPolarHBondContact OD1-CB 3.34Å; D1376-L1378 PolarHBondContact OD1-N 2.95Å; L1378-K1380 PolarHBondContact O-N 2.68Å; L1378-K1380 VanDerWaalsContact O-N 3.11Å; L1378-L1458 HydrophobicContact CD2-CD1 4.35Å
1379Q62.8Low57.3Low116 Ų11690.9 Ų90.954%0.54249%0.488SS..  trans-70.7105.5179.3-175.5174.26.100111.4D1376 Q1440D1376-Q1379 HydrophobicContact CB-CB 4.09Å; D1376-Q1379 PolarHBondContact O-N 2.77Å; Q1379-Q1440 PolarHBondContact O-NE2 2.99Å
1380K56.1Low54.9Low144 Ų14493.8 Ų93.863%0.62650%0.503SS*.  trans-74.4144.2171.3-64.2-176.9179179.40110.9L1378 V1382L1378-K1380 PolarHBondContact O-N 2.68Å; L1378-K1380 VanDerWaalsContact O-N 3.11Å; K1380-V1382 PolarHBondContact O-N 3.39Å
1381D48.5Very low52.2Low84 Ų8499.7 Ų99.745%0.44953%0.53SS..  trans-66.7119.2175-60.7-40.3000111.4S1383 Q1440D1381-S1383 WeakPolarHBondContact CB-OG 3.13Å; D1381-S1383 PolarHBondContact O-N 2.68Å; D1381-Q1440 PolarHBondContact OD1-NE2 2.85Å; D1381-Q1440 PolarHBondContact OD1-OE1 3.44Å
1382V37.7Very low49.5Very low110 Ų110100.7 Ų100.767%0.66755%0.553SS**  trans-81.451172.9-163.50000110.2K1380 T1387K1380-V1382 PolarHBondContact O-N 3.39Å; V1382-T1387 HydrophobicContact CB-CG2 4.44Å; V1382-T1387 HydrophobicContact CG1-CG2 3.84Å; V1382-T1387 PolarHBondContact O-OG1 3.21Å; V1382-T1387 VanDerWaalsContact O-OG1 3.08Å
1383S33.4Very low46.6Very low93 Ų93105.5 Ų105.565%0.6557%0.574SS**  trans-122.225.9-167.269.30000114.8D1381D1381-S1383 WeakPolarHBondContact CB-OG 3.13Å; D1381-S1383 PolarHBondContact O-N 2.68Å
1384S29.8Very low43.9Very low101 Ų101110.5 Ų110.571%0.70661%0.607SS**SBendtrans-150.9139.4148.562.20000112.5
1385V32.9Very low41.4Very low133 Ų133113.6 Ų113.681%0.80662%0.616SS**SBendtrans95.7-60.9172.9-164.40000117.4
1386D31.8Very low39.2Very low122 Ų122123.9 Ų123.965%0.65265%0.653SS**  trans-106.2-2.7-160.9-63-40.5000118.6K1388D1386-K1388 PolarHBondContact O-N 3.09Å
1387T31Very low37.2Very low77 Ų77128.1 Ų128.147%0.47268%0.68SS.*THydrogen-bonded Turntrans-77.833.9-170.513.70000116.6V1382V1382-T1387 HydrophobicContact CB-CG2 4.44Å; V1382-T1387 HydrophobicContact CG1-CG2 3.84Å; V1382-T1387 PolarHBondContact O-OG1 3.21Å; V1382-T1387 VanDerWaalsContact O-OG1 3.08Å
1388K33.5Very low35.2Very low203 Ų203137.3 Ų137.388%0.88372%0.717SS**THydrogen-bonded Turntrans-110.6-6.8177.2-86.4-169.4175.3-176.30116.4D1386D1386-K1388 PolarHBondContact O-N 3.09Å
1389E32.1Very low33.5Very low191 Ų191136.6 Ų136.689%0.89373%0.734SS**SBendtrans-116.72.9-169.2-60.4-167.4155.200115.1
1390S29.9Very low31.8Very low95 Ų95135.1 Ų135.166%0.66475%0.749SS**SBendtrans-141.118.5-168.457.40000117.3
1391F28.8Very low30.4Very low193 Ų193133.9 Ų133.985%0.84676%0.759SS**  trans-116.9123.3167.9-96-90000112
1392G28.3Very low29.4Very low66 Ų66135 Ų13568%0.6877%0.774SS**  trans-63.6156.2173.300000112.7P1394G1392-P1394 WeakPolarHBondContact O-CD 3.17Å
1393E25Very low28.9Very low161 Ų161138.9 Ų138.975%0.75278%0.781SS**  trans-60129.8-168.3-54.5178.1135.200114.4F1395E1393-F1395 VanDerWaalsContact OE2-CE2 3.32Å; E1393-F1395 WeakPolarHBondContact OE2-CE2 3.4Å
1394P26.2Very low28.6Very low120 Ų120139.9 Ų139.978%0.77978%0.783SS**  trans-83.8111.4141.631.6-25.7000108.2G1392 R1396G1392-P1394 WeakPolarHBondContact O-CD 3.17Å; P1394-R1396 PolarHBondContact O-N 3.05Å
1395F24.2Very low28.4Very low179 Ų179144.9 Ų144.979%0.78579%0.793SS**  trans-56.4101.9177.2-113.6-105000111.5E1393E1393-F1395 VanDerWaalsContact OE2-CE2 3.32Å; E1393-F1395 WeakPolarHBondContact OE2-CE2 3.4Å
1396R25.6Very low28Very low245 Ų245149.5 Ų149.593%0.92580%0.796SS**  trans-134.4113.1159.9-91.4-169.9170.9-178.2-1.8110.3P1394P1394-R1396 PolarHBondContact O-N 3.05Å
1397T30.3Very low27.9Very low134 Ų134149.4 Ų149.482%0.82280%0.804SS**  trans-68.9146.8-178.534.60000112.4
1398K26.5Very low27.6Very low219 Ų219154.8 Ų154.895%0.95282%0.821SS**  trans-47.2137.8-172.9-61.5168.4178.1173.50115
1399G28.2Very low27.2Very low83 Ų83153.2 Ų153.286%0.85682%0.822SS**  trans176.7109.6157.500000115
1400G28.7Very low27.1Very low84 Ų84148.8 Ų148.887%0.86681%0.81SS**  trans103.696.2158.800000117.4
1401S26.3Very low27Very low118 Ų118152.5 Ų152.583%0.82582%0.82SS**  trans-75.9146.1171.1-490000112.8
1402S27.5Very low26.8Very low109 Ų109148.6 Ų148.676%0.76282%0.817SS**  -177.5111.2120.3-83.60000116.7
1403K26.2Very low26.6Very low190 Ų190149.9 Ų149.983%0.82682%0.815SS**  54.2110.7126.3-65.8-176.5176.2177.30123.4
1404V27.4Very low26.6Very low115 Ų115149.1 Ų149.170%0.69782%0.815SS**  53.8115.1121.4-156.20000119.2
1405F26.8Very low26.7Very low205 Ų205151.4 Ų151.490%0.89982%0.816SS**  -168.8147.898.4-111.1-78.4000113.5
1406R24.6Very low26.8Very low231 Ų231150.8 Ų150.887%0.87282%0.82SS**  trans-119123.3-179.9-173.7-172.2-163.9-176.87.5108.1
1407S28Very low27Very low119 Ų119142.6 Ų142.683%0.83281%0.813SS**  trans-136.3143.4164.553.60000110.2
1408K25.9Very low26.8Very low190 Ų190140.3 Ų140.383%0.82682%0.815SS**  trans-91.1154.4172.1-60.5171.5174.6-179.90108.2
1409L25.8Very low27Very low171 Ų171133.8 Ų133.890%0.89581%0.811SS**  trans164167.7130.4-84.9165.3000110.4
1410P28.6Very low27Very low98 Ų98134.1 Ų134.164%0.63681%0.814SS**  trans-113.6176.7-144.843.6-37.8000116
1411I27.6Very low27.1Very low172 Ų172134 Ų13488%0.88281%0.812SS**  trans15.6108.5150.9-52.9167000116.6
1412S25.5Very low27.3Very low112 Ų112135.8 Ų135.878%0.78381%0.813SS**  trans-156.4141.3146.659.50000111.7
1413S23Very low27.6Very low93 Ų93138.4 Ų138.465%0.6582%0.818SS**  trans-55.2167.9176.651.50000118
1414L26.4Very low27.8Very low144 Ų144132.8 Ų132.875%0.75481%0.814SS**  trans72.4138.8161.4-60.2144.4000115.1
1415H27.6Very low27.9Very low169 Ų169134 Ų13478%0.78282%0.822SS**  cis-161.7162.242-125.9-70.8000112.2
1416D26.6Very low27.9Very low165 Ų165128 Ų12888%0.88282%0.818SS**  trans-59.8150166.6-126.8-30.3000113.4
1417G29.9Very low28.2Very low74 Ų74126.5 Ų126.576%0.76382%0.821SS**  trans173.4103.1176.800000114.2
1418G26.6Very low28.2Very low85 Ų85128.3 Ų128.388%0.87682%0.821SS**  trans-85169.6-175.700000116.2
1419G29.9Very low28.4Very low83 Ų83128 Ų12886%0.85683%0.825SS**  trans121.6123.8-176.600000109.6
1420G27.8Very low29.2Very low90 Ų90125.7 Ų125.793%0.92881%0.814SS**  cis114.573.922.900000108.5
1421G31.7Very low30.1Very low80 Ų80125.6 Ų125.683%0.82581%0.805SS**  trans-177.1112.8-17600000110.5
1422D30.3Very low31.2Very low157 Ų157121.6 Ų121.684%0.8479%0.79SS**  trans-84135.8170.3-168.919.5000108.2
1423D33.1Very low32.6Very low163 Ų163119.9 Ų119.987%0.87278%0.775SS**  trans-175120154.5-103.1-25.2000110.6
1424G30.6Very low34.6Very low73 Ų73118.1 Ų118.175%0.75376%0.762SS**  trans-99.7107-177.300000113.5
1425T28.9Very low36.4Very low141 Ų141116.1 Ų116.187%0.86575%0.745SS**  trans-145.8107.2160.851.80000113.2
1426G27.4Very low38.3Very low78 Ų78110.6 Ų110.680%0.80472%0.72SS**  trans7372.8142.900000120.2
1427E30.5Very low40.4Very low199 Ų199106 Ų10693%0.9370%0.701SS**  trans-121.566.4157.2-71.7-167.8162.400111.4
1428N29.4Very low42.4Very low157 Ų157106.9 Ų106.984%0.8468%0.681SS**  trans-107132158.8-73.2-40.6000107.1
1429M29.9Very low44.6Very low183 Ų183103.9 Ų103.990%0.90165%0.646SS**SBendtrans117.757.4174.8-62.4-83.5-74.900115.8
1430D41.7Very low46.8Very low124 Ų124101.4 Ų101.466%0.66361%0.612SS**  trans-162.723155.4-108.7-32.2000114.1T1433 S1434D1430-T1433 PolarHBondContact O-OG1 3.48Å; D1430-T1433 PolarHBondContact OD1-OG1 3.16Å; D1430-T1433 VanDerWaalsContact OD1-OG1 3.13Å; D1430-S1434 PolarHBondContact O-N 2.93Å
1431E48.4Very low49.2Very low96 Ų96104.3 Ų104.345%0.44960%0.595SS.*Hα-helixtrans-63.2-43.9-168-144.6-170.5143.600116S1434 R1435E1431-S1434 PolarHBondContact O-OG 2.83Å; E1431-R1435 WeakPolarHBondContact O-CG 3.4Å; E1431-R1435 IonicContact OE1-CZ 3.67Å; E1431-R1435 IonicContact OE1-NE 2.77Å; E1431-R1435 IonicContact OE1-NH2 3.88Å; E1431-R1435 PolarHBondContact OE1-NH2 3.44Å
1432P50.5Low51.4Low87 Ų87101.5 Ų101.557%0.56556%0.559SS**Hα-helixtrans-74.4-33.1-176.329.7-34000113S1434 R1435 I1436P1432-S1434 VanDerWaalsContact C-N 3.34Å; P1432-S1434 PolarHBondContact O-N 3.28Å; P1432-R1435 WeakPolarHBondContact O-CB 3.05Å; P1432-R1435 PolarHBondContact O-N 3.17Å; P1432-I1436 PolarHBondContact O-N 3Å
1433T53.6Low53.6Low77 Ų7794.7 Ų94.747%0.47252%0.523SS..Hα-helixtrans-62.2-43177.5-0.90000110.4D1430 R1435 I1436 S1437D1430-T1433 PolarHBondContact O-OG1 3.48Å; D1430-T1433 PolarHBondContact OD1-OG1 3.16Å; D1430-T1433 VanDerWaalsContact OD1-OG1 3.13Å; T1433-R1435 VanDerWaalsContact C-N 3.34Å; T1433-R1435 PolarHBondContact O-N 3.42Å; T1433-I1436 PolarHBondContact O-N 2.8Å; T1433-S1437 PolarHBondContact O-N 3.4Å; T1433-S1437 VanDerWaalsContact O-N 3.16Å; T1433-S1437 PolarHBondContact O-OG 3.31Å; T1433-S1437 VanDerWaalsContact O-OG 3.11Å
1434S64.7Low55.7Low55 Ų5593.2 Ų93.239%0.38551%0.505SS..Hα-helixtrans-61.5-37.2175.777.70000113.7D1430 E1431 P1432 R1438D1430-S1434 PolarHBondContact O-N 2.93Å; E1431-S1434 PolarHBondContact O-OG 2.83Å; P1432-S1434 VanDerWaalsContact C-N 3.34Å; P1432-S1434 PolarHBondContact O-N 3.28Å; S1434-R1438 VanDerWaalsContact O-CB 3.31Å; S1434-R1438 WeakPolarHBondContact O-CB 3.45Å; S1434-R1438 PolarHBondContact O-N 2.87Å
1435R64.7Low57.8Low102 Ų10291.8 Ų91.839%0.38548%0.479SS..Hα-helixtrans-62.9-50.5179-69.1170-173.5-138.8-1111.3Y1319 E1431 P1432 T1433 R1438 V1439Y1319-R1435 HydrophobicContact CD1-CG 4.38Å; Y1319-R1435 HydrophobicContact CE1-CG 3.49Å; Y1319-R1435 VanDerWaalsContact CE1-CG 3.49Å; Y1319-R1435 WeakPolarHBondContact OH-CG 3.33Å; E1431-R1435 WeakPolarHBondContact O-CG 3.4Å; E1431-R1435 IonicContact OE1-CZ 3.67Å; E1431-R1435 IonicContact OE1-NE 2.77Å; E1431-R1435 IonicContact OE1-NH2 3.88Å; E1431-R1435 PolarHBondContact OE1-NH2 3.44Å; P1432-R1435 WeakPolarHBondContact O-CB 3.05Å; P1432-R1435 PolarHBondContact O-N 3.17Å; T1433-R1435 VanDerWaalsContact C-N 3.34Å; T1433-R1435 PolarHBondContact O-N 3.42Å; R1435-R1438 PolarHBondContact O-N 3.46Å; R1435-V1439 WeakPolarHBondContact O-CG2 3.2Å; R1435-V1439 PolarHBondContact O-N 3.02Å
1436I68.8Low60.1Low54 Ų5485.4 Ų85.428%0.27744%0.44SS..Hα-helixtrans-61.9-49.2-179.2-63.6168.8000110.1I1375 P1432 T1433 R1438 V1439 Q1440I1375-I1436 HydrophobicContact CD1-CG1 4.27Å; I1375-I1436 HydrophobicContact CG1-CG1 4.42Å; P1432-I1436 PolarHBondContact O-N 3Å; T1433-I1436 PolarHBondContact O-N 2.8Å; I1436-R1438 VanDerWaalsContact C-N 3.29Å; I1436-R1438 PolarHBondContact O-N 2.98Å; I1436-V1439 PolarHBondContact O-N 3.33Å; I1436-Q1440 HydrophobicContact CG2-CG 4.23Å; I1436-Q1440 WeakPolarHBondContact O-CB 3.35Å; I1436-Q1440 WeakPolarHBondContact O-CG 3.48Å; I1436-Q1440 PolarHBondContact O-N 3.19Å
1437S70.1Confident62.5Low67 Ų6783.4 Ų83.447%0.46941%0.408SS..Hα-helixtrans-59.5-37.8178.8-57.80000113.1T1433 R1441T1433-S1437 PolarHBondContact O-N 3.4Å; T1433-S1437 VanDerWaalsContact O-N 3.16Å; T1433-S1437 PolarHBondContact O-OG 3.31Å; T1433-S1437 VanDerWaalsContact O-OG 3.11Å; S1437-R1441 WeakPolarHBondContact O-CB 3.31Å; S1437-R1441 PolarHBondContact O-N 3.11Å; S1437-R1441 VanDerWaalsContact O-N 3.07Å
1438R72.5Confident64.6Low94 Ų9478.8 Ų78.836%0.35539%0.389SS..Hα-helixtrans-70.6-39.3178.9-167.2169.3-171.2-172.4-5.9112.3E1344 S1434 R1435 I1436 R1441 Y1442E1344-R1438 IonicContact OE1-CZ 2.76Å; E1344-R1438 IonicContact OE1-NE 3.7Å; E1344-R1438 PolarHBondContact OE1-NE 3.1Å; E1344-R1438 VanDerWaalsContact OE1-NE 3.1Å; E1344-R1438 IonicContact OE1-NH1 3.58Å; E1344-R1438 PolarHBondContact OE1-NH1 3.23Å; E1344-R1438 IonicContact OE1-NH2 3.43Å; E1344-R1438 PolarHBondContact OE1-NH2 2.81Å; E1344-R1438 IonicContact OE2-CZ 3.92Å; E1344-R1438 IonicContact OE2-NH1 2.69Å; E1344-R1438 PolarHBondContact OE2-NH1 2.99Å; E1344-R1438 IonicContact OE2-NH2 2.78Å; E1344-R1438 PolarHBondContact OE2-NH2 3.08Å; S1434-R1438 VanDerWaalsContact O-CB 3.31Å; S1434-R1438 WeakPolarHBondContact O-CB 3.45Å; S1434-R1438 PolarHBondContact O-N 2.87Å; R1435-R1438 PolarHBondContact O-N 3.46Å; I1436-R1438 VanDerWaalsContact C-N 3.29Å; I1436-R1438 PolarHBondContact O-N 2.98Å; R1438-R1441 WeakPolarHBondContact O-CB 3.49Å; R1438-R1441 PolarHBondContact O-N 3.46Å; R1438-Y1442 HydrophobicContact CG-CE1 4.4Å; R1438-Y1442 HydrophobicContact CG-CE2 3.93Å; R1438-Y1442 PolarHBondContact NE-OH 3.46Å; R1438-Y1442 PolarHBondContact NH2-OH 3.37Å; R1438-Y1442 WeakPolarHBondContact O-CD2 3.26Å; R1438-Y1442 PolarHBondContact O-N 3.45Å
1439V73.1Confident66.5Low21 Ų2173.5 Ų73.513%0.12736%0.357CS..Hα-helixtrans-71-44.2177.1165.60000112.1L1373 I1375 R1435 I1436 R1441 Y1442 I1443L1373-V1439 HydrophobicContact CD1-CG1 3.95Å; L1373-V1439 HydrophobicContact CD1-CG2 4.08Å; L1373-V1439 HydrophobicContact CD2-CG1 3.63Å; L1373-V1439 HydrophobicContact CG-CG1 4.11Å; I1375-V1439 HydrophobicContact CB-CG1 4.31Å; I1375-V1439 HydrophobicContact CD1-CB 3.77Å; I1375-V1439 HydrophobicContact CD1-CG1 3.87Å; I1375-V1439 HydrophobicContact CD1-CG2 3.78Å; I1375-V1439 HydrophobicContact CG2-CG1 4.26Å; R1435-V1439 WeakPolarHBondContact O-CG2 3.2Å; R1435-V1439 PolarHBondContact O-N 3.02Å; I1436-V1439 PolarHBondContact O-N 3.33Å; V1439-R1441 PolarHBondContact O-N 2.89Å; V1439-Y1442 WeakPolarHBondContact O-CB 3.15Å; V1439-Y1442 PolarHBondContact O-N 3.23Å; V1439-I1443 HydrophobicContact CG1-CD1 4.24Å; V1439-I1443 WeakPolarHBondContact O-CG1 3.3Å; V1439-I1443 PolarHBondContact O-N 2.95Å
1440Q76.1Confident68.5Low31 Ų3168.8 Ų68.815%0.14533%0.332CS..Hα-helixtrans-58.7-35.7172.4-73169.8-26.400112Q1379 D1381 I1436 I1443 R1444Q1379-Q1440 PolarHBondContact O-NE2 2.99Å; D1381-Q1440 PolarHBondContact OD1-NE2 2.85Å; D1381-Q1440 PolarHBondContact OD1-OE1 3.44Å; I1436-Q1440 HydrophobicContact CG2-CG 4.23Å; I1436-Q1440 WeakPolarHBondContact O-CB 3.35Å; I1436-Q1440 WeakPolarHBondContact O-CG 3.48Å; I1436-Q1440 PolarHBondContact O-N 3.19Å; Q1440-I1443 PolarHBondContact O-N 3.38Å; Q1440-R1444 VanDerWaalsContact O-CB 3.29Å; Q1440-R1444 WeakPolarHBondContact O-CB 3.48Å; Q1440-R1444 PolarHBondContact O-N 2.74Å
1441R77.3Confident69.7Low151 Ų15165.8 Ų65.857%0.5733%0.33SS*.Hα-helixtrans-61.1-45.2172.2174.1-178.7172.9176-1.8111.4S1437 R1438 V1439 R1444 E1445S1437-R1441 WeakPolarHBondContact O-CB 3.31Å; S1437-R1441 PolarHBondContact O-N 3.11Å; S1437-R1441 VanDerWaalsContact O-N 3.07Å; R1438-R1441 WeakPolarHBondContact O-CB 3.49Å; R1438-R1441 PolarHBondContact O-N 3.46Å; V1439-R1441 PolarHBondContact O-N 2.89Å; R1441-R1444 WeakPolarHBondContact O-CB 3.36Å; R1441-R1444 PolarHBondContact O-N 3.2Å; R1441-E1445 HydrophobicContact CG-CG 4.42Å; R1441-E1445 WeakPolarHBondContact CG-OE1 3.19Å; R1441-E1445 IonicContact CZ-OE1 3.45Å; R1441-E1445 IonicContact NE-OE1 3.5Å; R1441-E1445 PolarHBondContact NE-OE1 2.88Å; R1441-E1445 IonicContact NH2-OE1 2.71Å; R1441-E1445 PolarHBondContact NH2-OE1 3.33Å; R1441-E1445 WeakPolarHBondContact O-CB 3.34Å; R1441-E1445 WeakPolarHBondContact O-CG 3.3Å; R1441-E1445 PolarHBondContact O-N 2.81Å
1442Y76.8Confident70.8Confident21 Ų2163.4 Ų63.48%0.08232%0.32CS..Hα-helixtrans-62.8-42.8176.8-56.4-37.3000112.8I1343 E1344 R1438 V1439 R1444 E1445 V1446I1343-Y1442 HydrophobicContact CD1-CD1 3.39Å; I1343-Y1442 HydrophobicContact CD1-CD2 4.08Å; I1343-Y1442 HydrophobicContact CD1-CE1 3.45Å; I1343-Y1442 VanDerWaalsContact CD1-CE1 3.45Å; I1343-Y1442 HydrophobicContact CD1-CE2 4.15Å; I1343-Y1442 HydrophobicContact CD1-CG 3.71Å; I1343-Y1442 HydrophobicContact CG1-CD1 4.29Å; I1343-Y1442 HydrophobicContact CG1-CE1 3.84Å; I1343-Y1442 HydrophobicContact CG1-CE2 4.38Å; I1343-Y1442 HydrophobicContact CG2-CD2 4.18Å; I1343-Y1442 HydrophobicContact CG2-CE2 3.62Å; E1344-Y1442 PolarHBondContact OE1-OH 3.17Å; E1344-Y1442 VanDerWaalsContact OE1-OH 3.08Å; R1438-Y1442 HydrophobicContact CG-CE1 4.4Å; R1438-Y1442 HydrophobicContact CG-CE2 3.93Å; R1438-Y1442 PolarHBondContact NE-OH 3.46Å; R1438-Y1442 PolarHBondContact NH2-OH 3.37Å; R1438-Y1442 WeakPolarHBondContact O-CD2 3.26Å; R1438-Y1442 PolarHBondContact O-N 3.45Å; V1439-Y1442 WeakPolarHBondContact O-CB 3.15Å; V1439-Y1442 PolarHBondContact O-N 3.23Å; Y1442-R1444 VanDerWaalsContact C-N 3.33Å; Y1442-R1444 PolarHBondContact O-N 3.09Å; Y1442-E1445 PolarHBondContact O-N 3.35Å; Y1442-V1446 PolarHBondContact O-N 3.14Å
1443I77.5Confident71.7Confident15 Ų1562 Ų628%0.07731%0.311CS..Hα-helixtrans-59.2-45.8173.9-64.4169.9000110.3L1292 P1377 V1439 Q1440 E1445 V1446 R1447L1292-I1443 HydrophobicContact CD1-CD1 3.79Å; L1292-I1443 HydrophobicContact CD1-CG1 3.72Å; P1377-I1443 HydrophobicContact CB-CD1 4.07Å; V1439-I1443 HydrophobicContact CG1-CD1 4.24Å; V1439-I1443 WeakPolarHBondContact O-CG1 3.3Å; V1439-I1443 PolarHBondContact O-N 2.95Å; Q1440-I1443 PolarHBondContact O-N 3.38Å; I1443-E1445 PolarHBondContact O-N 2.75Å; I1443-V1446 PolarHBondContact O-N 2.91Å; I1443-R1447 HydrophobicContact CG2-CG 4.41Å; I1443-R1447 WeakPolarHBondContact O-CB 3.42Å; I1443-R1447 VanDerWaalsContact O-CG 3.31Å; I1443-R1447 WeakPolarHBondContact O-CG 3.41Å; I1443-R1447 PolarHBondContact O-N 3.28Å
1444R77Confident72.3Confident131 Ų13161.8 Ų61.849%0.49431%0.307SS..Hα-helixtrans-60.6-43.8177.2-174.6-179.1-63.3163.94.6112.1Q1440 R1441 Y1442 R1447 L1448 L1454Q1440-R1444 VanDerWaalsContact O-CB 3.29Å; Q1440-R1444 WeakPolarHBondContact O-CB 3.48Å; Q1440-R1444 PolarHBondContact O-N 2.74Å; R1441-R1444 WeakPolarHBondContact O-CB 3.36Å; R1441-R1444 PolarHBondContact O-N 3.2Å; Y1442-R1444 VanDerWaalsContact C-N 3.33Å; Y1442-R1444 PolarHBondContact O-N 3.09Å; R1444-R1447 PolarHBondContact O-N 2.81Å; R1444-L1448 HydrophobicContact CG-CD1 4.16Å; R1444-L1448 WeakPolarHBondContact O-CB 3.13Å; R1444-L1448 VanDerWaalsContact O-CG 3.28Å; R1444-L1448 WeakPolarHBondContact O-CG 3.41Å; R1444-L1448 PolarHBondContact O-N 3.24Å; R1444-L1454 HydrophobicContact CB-CD2 4.38Å; R1444-L1454 HydrophobicContact CG-CD1 3.9Å; R1444-L1454 HydrophobicContact CG-CD2 3.72Å; R1444-L1454 HydrophobicContact CG-CG 4.47Å
1445E75.4Confident72Confident44 Ų4466.1 Ų66.121%0.20633%0.325CS..Hα-helixtrans-68.1-34.4179.6-75.8177.7-173.500113.1R1441 Y1442 I1443 R1449R1441-E1445 HydrophobicContact CG-CG 4.42Å; R1441-E1445 WeakPolarHBondContact CG-OE1 3.19Å; R1441-E1445 IonicContact CZ-OE1 3.45Å; R1441-E1445 IonicContact NE-OE1 3.5Å; R1441-E1445 PolarHBondContact NE-OE1 2.88Å; R1441-E1445 IonicContact NH2-OE1 2.71Å; R1441-E1445 PolarHBondContact NH2-OE1 3.33Å; R1441-E1445 WeakPolarHBondContact O-CB 3.34Å; R1441-E1445 WeakPolarHBondContact O-CG 3.3Å; R1441-E1445 PolarHBondContact O-N 2.81Å; Y1442-E1445 PolarHBondContact O-N 3.35Å; I1443-E1445 PolarHBondContact O-N 2.75Å; E1445-R1449 PolarHBondContact O-N 3.17Å; E1445-R1449 PolarHBondContact O-NH1 3.42Å
1446V76.5Confident71.4Confident7 Ų768 Ų684%0.04234%0.338CS..Hα-helixtrans-72.7-46.8172.6171.40000111V796 F799 C1071 Y1442 I1443 L1448 R1449 K1450V796-V1446 HydrophobicContact CG1-CG2 4.08Å; F799-V1446 HydrophobicContact CD2-CB 4.36Å; F799-V1446 HydrophobicContact CD2-CG1 4.41Å; F799-V1446 HydrophobicContact CD2-CG2 3.92Å; F799-V1446 HydrophobicContact CE2-CB 4.22Å; F799-V1446 HydrophobicContact CE2-CG2 3.6Å; C1071-V1446 HydrophobicContact CB-CG1 4.34Å; Y1442-V1446 PolarHBondContact O-N 3.14Å; I1443-V1446 PolarHBondContact O-N 2.91Å; V1446-L1448 VanDerWaalsContact C-N 3.31Å; V1446-L1448 PolarHBondContact O-N 3.14Å; V1446-R1449 PolarHBondContact O-N 2.89Å; V1446-K1450 HydrophobicContact CG1-CG 4.2Å; V1446-K1450 VanDerWaalsContact O-CG 3.28Å; V1446-K1450 WeakPolarHBondContact O-CG 3.19Å; V1446-K1450 PolarHBondContact O-N 2.86Å
1447R77.6Confident70.4Confident35 Ų3570.4 Ų70.413%0.13235%0.348CS..Hα-helixtrans-56.7-44.2176.8-72.8-177.582.184.75.6112.2L1070 I1443 R1444 K1450 G1451 L1452 P1453 L1454L1070-R1447 PolarHBondContact O-NH1 3.38Å; I1443-R1447 HydrophobicContact CG2-CG 4.41Å; I1443-R1447 WeakPolarHBondContact O-CB 3.42Å; I1443-R1447 VanDerWaalsContact O-CG 3.31Å; I1443-R1447 WeakPolarHBondContact O-CG 3.41Å; I1443-R1447 PolarHBondContact O-N 3.28Å; R1444-R1447 PolarHBondContact O-N 2.81Å; R1447-K1450 PolarHBondContact O-N 2.85Å; R1447-G1451 PolarHBondContact O-N 3.28Å; R1447-L1452 HydrophobicContact CB-CB 4.09Å; R1447-L1452 HydrophobicContact CG-CB 4.39Å; R1447-L1452 HydrophobicContact CG-CD1 4.32Å; R1447-L1452 WeakPolarHBondContact O-CB 3.34Å; R1447-L1452 PolarHBondContact O-N 3.18Å; R1447-P1453 PolarHBondContact NE-O 3.42Å; R1447-P1453 PolarHBondContact NH2-O 3.11Å; R1447-L1454 HydrophobicContact CB-CD2 3.87Å
1448L75.4Confident69.1Low102 Ų10270 Ų7053%0.53434%0.341SS..Hα-helixtrans-57.7-49.8177.7-81.2168.7000112.2R1444 V1446 K1450 G1451 L1454R1444-L1448 HydrophobicContact CG-CD1 4.16Å; R1444-L1448 WeakPolarHBondContact O-CB 3.13Å; R1444-L1448 VanDerWaalsContact O-CG 3.28Å; R1444-L1448 WeakPolarHBondContact O-CG 3.41Å; R1444-L1448 PolarHBondContact O-N 3.24Å; V1446-L1448 VanDerWaalsContact C-N 3.31Å; V1446-L1448 PolarHBondContact O-N 3.14Å; L1448-K1450 PolarHBondContact O-N 2.87Å; L1448-G1451 PolarHBondContact O-N 3.37Å; L1448-G1451 VanDerWaalsContact O-N 3.1Å; L1448-L1454 HydrophobicContact CD1-CD1 4.37Å; L1448-L1454 HydrophobicContact CD2-CD1 3.87Å; L1448-L1454 HydrophobicContact CD2-CG 4.2Å; L1448-L1454 HydrophobicContact CG-CD1 4.08Å; L1448-L1454 HydrophobicContact CG-CD2 4.17Å; L1448-L1454 HydrophobicContact CG-CG 4.35Å
1449R68.8Low67.4Low46 Ų4670 Ų7017%0.17435%0.351CS..Hα-helixtrans-65.2-36.3178.2-70-172.8-171.787.2-14.8112.8N760 P794 E1445 V1446 G1451N760-R1449 PolarHBondContact ND2-O 2.73Å; P794-R1449 PolarHBondContact O-NH2 3.44Å; E1445-R1449 PolarHBondContact O-N 3.17Å; E1445-R1449 PolarHBondContact O-NH1 3.42Å; V1446-R1449 PolarHBondContact O-N 2.89Å; R1449-G1451 PolarHBondContact O-N 3.17Å; R1449-G1451 VanDerWaalsContact O-N 3.13Å
1450K71.6Confident65.9Low85 Ų8574.8 Ų74.837%0.3738%0.375SS..THydrogen-bonded Turntrans-72.71.4175.2-61-76.2-178.5137.80113.4A1072 E1073 V1446 R1447 L1448 L1452A1072-K1450 HydrophobicContact CB-CB 4.32Å; A1072-K1450 HydrophobicContact CB-CD 4.24Å; A1072-K1450 HydrophobicContact CB-CG 4.34Å; A1072-K1450 PolarHBondContact O-NZ 3.22Å; E1073-K1450 WeakPolarHBondContact OE1-CE 3.38Å; E1073-K1450 IonicContact OE1-NZ 2.72Å; E1073-K1450 PolarHBondContact OE1-NZ 2.91Å; V1446-K1450 HydrophobicContact CG1-CG 4.2Å; V1446-K1450 VanDerWaalsContact O-CG 3.28Å; V1446-K1450 WeakPolarHBondContact O-CG 3.19Å; V1446-K1450 PolarHBondContact O-N 2.86Å; R1447-K1450 PolarHBondContact O-N 2.85Å; L1448-K1450 PolarHBondContact O-N 2.87Å; K1450-L1452 HydrophobicContact CB-CD1 4Å; K1450-L1452 HydrophobicContact CB-CG 3.86Å; K1450-L1452 PolarHBondContact O-N 2.84Å
1451G67.9Low64Low60 Ų6079.3 Ų79.362%0.61940%0.401SS*.THydrogen-bonded Turntrans66.517.4-175.300000113.8R1447 L1448 R1449R1447-G1451 PolarHBondContact O-N 3.28Å; L1448-G1451 PolarHBondContact O-N 3.37Å; L1448-G1451 VanDerWaalsContact O-N 3.1Å; R1449-G1451 PolarHBondContact O-N 3.17Å; R1449-G1451 VanDerWaalsContact O-N 3.13Å
1452L71.9Confident62.1Low47 Ų4775 Ų7525%0.24640%0.397CS..  trans-81.6140.5-176.5-65.9175.2000111.5C1071 A1072 R1447 K1450 L1454C1071-L1452 WeakPolarHBondContact O-CD1 3.22Å; A1072-L1452 HydrophobicContact CB-CD1 3.83Å; A1072-L1452 HydrophobicContact CB-CD2 4.48Å; A1072-L1452 HydrophobicContact CB-CG 4.45Å; R1447-L1452 HydrophobicContact CB-CB 4.09Å; R1447-L1452 HydrophobicContact CG-CB 4.39Å; R1447-L1452 HydrophobicContact CG-CD1 4.32Å; R1447-L1452 WeakPolarHBondContact O-CB 3.34Å; R1447-L1452 PolarHBondContact O-N 3.18Å; K1450-L1452 HydrophobicContact CB-CD1 4Å; K1450-L1452 HydrophobicContact CB-CG 3.86Å; K1450-L1452 PolarHBondContact O-N 2.84Å; L1452-L1454 PolarHBondContact O-N 3.41Å
1453P68.8Low60.2Low56 Ų5680.2 Ų80.236%0.36443%0.426SS..  trans-62.2135.7176.426.2-34000110.8R1447 E1456R1447-P1453 PolarHBondContact NE-O 3.42Å; R1447-P1453 PolarHBondContact NH2-O 3.11Å; P1453-E1456 HydrophobicContact CB-CB 4.21Å; P1453-E1456 HydrophobicContact CB-CG 4.12Å; P1453-E1456 WeakPolarHBondContact CB-OE2 3.32Å; P1453-E1456 HydrophobicContact CG-CB 4.19Å; P1453-E1456 HydrophobicContact CG-CG 4.46Å; P1453-E1456 VanDerWaalsContact CG-OE2 3.29Å; P1453-E1456 WeakPolarHBondContact CG-OE2 3.23Å
1454L66.2Low58.3Low74 Ų7487.4 Ų87.439%0.38746%0.457SS..SBendtrans-78.2-28.3-179.2-72.8-175.8000114.2R1444 R1447 L1448 L1452R1444-L1454 HydrophobicContact CB-CD2 4.38Å; R1444-L1454 HydrophobicContact CG-CD1 3.9Å; R1444-L1454 HydrophobicContact CG-CD2 3.72Å; R1444-L1454 HydrophobicContact CG-CG 4.47Å; R1447-L1454 HydrophobicContact CB-CD2 3.87Å; L1448-L1454 HydrophobicContact CD1-CD1 4.37Å; L1448-L1454 HydrophobicContact CD2-CD1 3.87Å; L1448-L1454 HydrophobicContact CD2-CG 4.2Å; L1448-L1454 HydrophobicContact CG-CD1 4.08Å; L1448-L1454 HydrophobicContact CG-CD2 4.17Å; L1448-L1454 HydrophobicContact CG-CG 4.35Å; L1452-L1454 PolarHBondContact O-N 3.41Å
1455N58.6Low56.6Low145 Ų14587.4 Ų87.478%0.77546%0.463SS*.SBendtrans-116.4-6.8-164.9-66.7-9.5000114.6
1456E50.9Low54.9Low142 Ų14297.3 Ų97.366%0.66450%0.498SS*.  trans-80131.1-178-72.3-173.3140.100111.6P1453P1453-E1456 HydrophobicContact CB-CB 4.21Å; P1453-E1456 HydrophobicContact CB-CG 4.12Å; P1453-E1456 WeakPolarHBondContact CB-OE2 3.32Å; P1453-E1456 HydrophobicContact CG-CB 4.19Å; P1453-E1456 HydrophobicContact CG-CG 4.46Å; P1453-E1456 VanDerWaalsContact CG-OE2 3.29Å; P1453-E1456 WeakPolarHBondContact CG-OE2 3.23Å
1457Q48.4Very low53Low104 Ų104102.7 Ų102.749%0.48653%0.531SS..  trans-56.4143.9158.9-80.4166.2-22.500108.8V1459Q1457-V1459 VanDerWaalsContact C-N 3.26Å; Q1457-V1459 HydrophobicContact CB-CG2 4.25Å; Q1457-V1459 PolarHBondContact O-N 3.1Å
1458L43.3Very low51.2Low59 Ų59104.7 Ų104.731%0.30954%0.544SS..SBendtrans-65.984.1173.5-75.1164.8000110.9P1069 L1070 L1378P1069-L1458 VanDerWaalsContact O-CD2 3.28Å; P1069-L1458 WeakPolarHBondContact O-CD2 3.24Å; L1070-L1458 HydrophobicContact CD2-CD1 4.14Å; L1378-L1458 HydrophobicContact CD2-CD1 4.35Å
1459V36Very low49.2Very low93 Ų93108.1 Ų108.156%0.56456%0.555SS**  trans-123.281.7171.8-177.10000107.7Q1457 N1461Q1457-V1459 VanDerWaalsContact C-N 3.26Å; Q1457-V1459 HydrophobicContact CB-CG2 4.25Å; Q1457-V1459 PolarHBondContact O-N 3.1Å; V1459-N1461 HydrophobicContact CG1-CB 3.92Å; V1459-N1461 PolarHBondContact O-N 3.47Å
1460L41.2Very low47.6Very low122 Ų122112.9 Ų112.964%0.63958%0.577SS**  trans-73.142.7173.1-77.9166.5000112.2I1281I1281-L1460 HydrophobicContact CG2-CD1 3.94Å
1461N37.9Very low45.6Very low127 Ų127116.8 Ų116.868%0.67960%0.601SS**  trans-115.9117.5179.1-73.2-35000111V1459V1459-N1461 HydrophobicContact CG1-CB 3.92Å; V1459-N1461 PolarHBondContact O-N 3.47Å
1462A35.5Very low43.8Very low60 Ų60125 Ų12550%0.49662%0.62SS.*  trans76.475.9171.900000118.2K1464 Q1465 L1468A1462-K1464 PolarHBondContact O-N 2.89Å; A1462-Q1465 HydrophobicContact CB-CG 4.49Å; A1462-L1468 HydrophobicContact CB-CD1 4.23Å
1463D38.2Very low42.4Very low130 Ų130129 Ų12970%0.69564%0.639SS**THydrogen-bonded Turntrans-44.7127.2149.4-80.7-56.2000111.3L1468D1463-L1468 WeakPolarHBondContact O-CD1 3.17Å
1464K37.7Very low41Very low167 Ų167132.8 Ų132.873%0.72665%0.654SS**THydrogen-bonded Turntrans60.764.2170-59.5174.8-176.5169.30115.6A1462 R1466 T1467A1462-K1464 PolarHBondContact O-N 2.89Å; K1464-R1466 PolarHBondContact O-N 3.16Å; K1464-T1467 PolarHBondContact O-N 2.88Å; K1464-T1467 PolarHBondContact O-OG1 2.97Å
1465Q41.4Very low39.6Very low130 Ų130136.1 Ų136.161%0.60767%0.668SS**THydrogen-bonded Turntrans-52.9-11.2167.6-66.8-170.4200116.2A1462 T1467A1462-Q1465 HydrophobicContact CB-CG 4.49Å; Q1465-T1467 VanDerWaalsContact C-N 3.35Å
1466R38.3Very low38.5Very low252 Ų252135.5 Ų135.595%0.95166%0.662SS**THydrogen-bonded Turntrans-74.2-17.5176.2-108.3180174.9172.7-1.6114.5K1464K1464-R1466 PolarHBondContact O-N 3.16Å
1467T38.4Very low37.7Very low121 Ų121135.1 Ų135.174%0.74266%0.662SS**SBendtrans-116-4.1-17841.50000114.8K1464 Q1465K1464-T1467 PolarHBondContact O-N 2.88Å; K1464-T1467 PolarHBondContact O-OG1 2.97Å; Q1465-T1467 VanDerWaalsContact C-N 3.35Å
1468L39.6Very low37Very low76 Ų76137.2 Ų137.240%0.39867%0.674SS.*  trans-100.7-5.6-171.1-70.4166.8000115A1462 D1463 K1470A1462-L1468 HydrophobicContact CB-CD1 4.23Å; D1463-L1468 WeakPolarHBondContact O-CD1 3.17Å; L1468-K1470 PolarHBondContact O-N 3.32Å; L1468-K1470 VanDerWaalsContact O-N 3.16Å
1469K33.6Very low36.5Very low174 Ų174142.8 Ų142.876%0.75770%0.7SS**THydrogen-bonded Turntrans-84.831.3-166-85.1-167.2172-172.60117.4
1470K33.2Very low36.6Very low146 Ų146146.6 Ų146.664%0.63571%0.71SS**THydrogen-bonded Turntrans-139.2-15.9-178.9-81.1-157.3172.3-164.90120.2N1131 L1468N1131-K1470 PolarHBondContact OD1-NZ 3.12Å; L1468-K1470 PolarHBondContact O-N 3.32Å; L1468-K1470 VanDerWaalsContact O-N 3.16Å
1471N30.4Very low36.2Very low167 Ų167148.7 Ų148.789%0.89372%0.716SS**  trans-161.839.5-176-91.5-34.4000113.9
1472K29.9Very low36Very low234 Ų234150.6 Ų150.6100%1.01772%0.72SS**  trans-148.60171.3-79.7-165.5176.8-172.40109.2

Retrieved 1,472 of 1,472 residues in 3420.3 ms (Link to these results)

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