A0A3Q0KR58_SCHMA Loading...

Platelet binding protein-related AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KR58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,498 aa.

						>A0A3Q0KR58_SCHMA|A0A3Q0KR58
MKKTRFLWIRDLPAKCKDADLRNVLERHGGGSIQKIRLFKEGHMRHAIVTFVDIKSAAAVINTENKINDSLLKMEYCGSADTTIGIINHKNINSHRNNTEITNQLPTFNNSNHNNSDRKTEKELNTNTLHKGSNDSHHSLPNNDQLGRGPLIFKRTTNNNTSSNLVNNVQMFSQVLRPVQSSTLTTRMSNSYRGLKISDLPPPSKLSDAHLRQSLFTEFRRCGRIQSVVLPPTTNGSTNTTRLAIVTFRRAEEAECAYQAIQGGAKILFSTPVSVELHPGTNVNDELSLKRSSASSTLVGNTTKPNSNSSSGSSNSNTSDTLMNSLSTSTTTTNTTTTTTTQSGLNKTVNSHSTDDDHLSNNNKTITTVNKSPTRTLHVAGLTVGPTGPVTSEQLTTAFRKFGDIINVQLKPSSSSALIQFAEMRGPIRAMNAHAREPLRLGGRPLSLAYTPSTPTTSLWISDLPPSLANLTDEELLHTLSQIAPVQEIALINRTDQSTRNQSTPLISTSPPHCAAYIKLNSTEHAIRLLTELRCSKRYSSPTPPTTTTSTSTTGITITGQNVKTLTRRPIAVDFASPRQSSIVTNLQLNASRSSLNSHRVRIISSSNIVDRWDSSNKTSSFQPPTASTAITTLTSKSIDCNSRNSSPGSVFPLTVHSSLNTNTKTSNRTSTQTLTHLTSGLASNHNHQKTNLLSHPLTDVYKDVNEVKNSSNLFIEKQSETISRECSNRKSSRLKSTNQSNQLSDRTYHHRLKRSHDSSPSSLSTSSSSSSTSVSSDSTSSSSISSTSISSSGSSISASSAASSKCTGSSSRRAKAPSIKSNHKSKSIDPHDNKRSAKLSERSSSSNCCQLKVHKSLSTGKPKENKSCRKTDSSHSSTTQSSKSADSYSSWLTDTPSDSSFVQQPLRVMTVNSSVLSPIRSSAASSGGLSSPGGSSSSIIGNNNIRRTPNNGCETLPNGCQSEFIGPVPNHHSSLRLSTSSQPLTHTPTVLTMGEFRVSPTPTACSVSASSGVSSGGPSFSSTNSSGGGSTGSSPLTSNNSTTNHFQSVVISKSNSNSQIKVTSSSPSLKRNVSHIGQSNGIDNSHCGNTNKSRTFSDSPSSLKLHLSSNTALASSSPGPNSPSCTSSTTPLTVSIKLTGINRSSQPSNLISPCSLSENTELFISNQDKQTNDSLPLTPVSAPPLRCKTSRHTSVDPRRCSIGVEASTVGGATNDITDWWSSGSPVYESMYDKIKRRTNKEAEERRQRQLETFSTREKNSKKQRKKEQSNKSPPPSNINNIPISSPDSFINEQCGKINNTFSLSGKSHHPINSKCKLDATNRSSNKKHINRQKSETVSIHSFLSDSNHLSQWHSTHIHSDKICNDANESHLFSRRMSRNLNSRNKRRRSIVSSLSSSLSSEGECHSNSPPETLTRLSLGMRFPVSATYHECIRPTKPSTAASAAAVSNRKWSNHHLSDNDDDGGEDDDDDDALSQLSSSLSCSTNDSKRDPSNLAKRKLHFSTNKLNQLKNTNFSSFNSSNPFSRNNISNNYDTDHHRSGESNQKFISLSNALEWKDTGKKSKSHNKQNNKCSKQLTSTNDNDRHKSSEKLSFVNSGLLKRQRNEVLSPRPTTTDLHPNKRKRVLTTLQKNINENDCSNQIYNHTNHHRHFTSPKHHSTYRKQHRIHSPKPYFSDDGTILDSEAEDVKGSFISCSDSVSHTTGTSDHHSMKDSYLHHRGGDRQMSSPVHSETDESNVFGLDSRIHSPNSSRCHSDYINRKQKKYLSNLCTMNTTTASTLQPRDADGDSAFDALLDSDRFSANSKSTISTEPMEQCELDEDDDDDANSPCLKFTDGEDDDEWHSGIASSSPNPVHLEFDDGDDDDDDDEGCELLDSKPEPNTVTYQSDSFVEKLSNSIMESSDEEKPQDTSLRLQSSISVNNQHSLSSCSSCGTGEKKVDSSFNVSINDIDNDNHDKLNRCDSLTLSNKMSPTGGDQQLHSDEHLSIKLETTSKQPLSSAMIEEISTKVSSPNPTESKSNKAENCSPPLLQTIVVSQYSTVHSFESNNIPSLSDNHDDVDHSSTTGAISSFKPSAENVTNNDSATPYIASLNNPVDSLKTNLSCSTHSEITIVNETNPAKEITTKPSPKNDIFHQISCVPTSLIFTQSTSTVSSHDSVSFSSVCTFPKLINSPLVLDNKPVNFKAREKSPETVIQVDHAVPRQTCLSNVKPMTSMSSSMSLNSQPTEVHDITRYVQSVIERVKAERVEENQQAAAAAAHCHHSTHHPTTSTMSVPVSTLSTISMNQTPKVYNEQNILPGMASPHNRRSYSGQRRSLLVTVSTCSPSKTNTSSRSAKLVSPNAHMSGHPVATCSVDFPSVHVTNSTIPCTSGLPHPKISSDLQLPSIPGVNACAPLNLPVGQVNSTRVTRQSCGTLDSPQTSLKRSEICHNNLDTSTALPVSQASRRQRRSESKTISNTVPVLKDNTVFSFATPAVLTSSTVVNPTLIPVSCAPSTLSTKSTEAIIPSHSVITTSCSQVAHSGAASSSADCVQKMKSCNIHTSIDPYEPNFDEESPVGFNPSQLHHHRSSPSLCPSPNSIHQTRKTPCTTAENMTTTNSQSLPSTTVVVASSSSPINSSPGLVILDTKSIRNPEIISCITTASLSAPESSVLNVPPATFCVTSSQSVDTVDEVISDVCAGHFDVQSYLKNWSCNTVSSPVTTTVGTTISTSNIQSSKISVNNPLPHESISLPSILANIPTCTPTITITTATITTTFPTISIATNPSVQTVNSTIVTNISNTQTGIPFSLPITSEPIVAAVTIPTGKTSNLGKNDSSNPINIGTGSAVLNTLLAALQLIPGSQVTVTGPAAAAGVVGNNNSRTISAATITLPVNAAQQAAANIKAAVLSVTNPNNNQGKAANIKWNQQDSLNINKNTTESTHNETKVSHGIFTPPVCVTSANLTNTTHNRLTTATHQLNTTSVVSTCSVAQLPFNNIYVNSNINNTSYQHPKILQSGCTISESVTSTTNTTSQLYPLQTAMESAPMRPHLASVTTVTNSTITSNSSSIISTACDQSLNTAPVFASCGKYTNVTPTPISQHSSLVSHSQQNNNICTTKQSFVPPSTPIVTNGTSHPQITSRTVSNAPPPPTSPVILGRNSSVSPLANPVLQTLIDRLGGNVEPSVAIALFHAALNGSNMRRNLNDNTTDTQVNPYLRHVAQQFLDNRGCSGPVKPSIPISHSESQVHSASSICAKSLSPSLTMQHIPATNISYSPSPHRPPASGLPFVSPVLINPVDSDMSQVDPSSNNMISPPVVSSRLPGSDPPPVNNITTPNSDVQSWNTLGSSYPLVWQGRLSLKNMETRVALHFVQGNHNLLNACMTLLASGGGGQPQFSLITSGGPLRIVQRMRLEPAQLEGVQRKLNQEGASCACLALPAGSSPVELAQQTQILNENFIRYMQEKMAAGIINVGHPDYQQGLYVVHIFPPCDFSHAQLGLAAPDLHRRVVQANQSHLLVVITTV
					

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

Download 12 Fragment Structures AlphaSync Parameters PDBs Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	61.5	Low	85.6	Confident	159 Å²	159	69.7 Å²	69.7	78%	0.783	31%	0.307	S	S	*	.				0	167.5	0	-74.3	166.8	151.2	0	0	110.4	E75 Y76	M1-E75 HydrophobicContact CE-CB 4.01Å; M1-E75 HydrophobicContact CE-CG 4.28Å; M1-E75 WeakPolarHBondContact CE-OE2 3.37Å; M1-E75 HydrophobicContact SD-CB 4.07Å; M1-E75 HydrophobicContact SD-CG 4.44Å; M1-Y76 HydrophobicContact CB-CD2 4.34Å; M1-Y76 PolarHBondContact SD-N 2.7Å; M1-Y76 VanDerWaalsContact SD-O 3.41Å
2	K	78.4	Confident	85.6	Confident	166 Å²	166	64.5 Å²	64.5	72%	0.722	29%	0.285	S	S	*	.			trans	-71	140	160.7	-76.3	-169.7	175.2	-172.8	0	108.2	Y76	K2-Y76 WeakPolarHBondContact O-CB 3.12Å
3	K	86.2	Confident	85.2	Confident	123 Å²	123	61.6 Å²	61.6	54%	0.535	28%	0.276	S	S	.	.			trans	-69	132.2	171.3	-58.3	-163.9	171.6	-165.5	0	109.4	I54 A58 Y76	K3-I54 HydrophobicContact CB-CG2 4Å; K3-A58 HydrophobicContact CD-CB 4.23Å; K3-Y76 HydrophobicContact CB-CE1 4.06Å; K3-Y76 HydrophobicContact CB-CE2 4.06Å; K3-Y76 HydrophobicContact CD-CE2 4.43Å; K3-Y76 WeakPolarHBondContact CD-OH 3.45Å; K3-Y76 HydrophobicContact CG-CE2 3.71Å; K3-Y76 WeakPolarHBondContact CG-OH 3.38Å
4	T	90	Very high	84.7	Confident	23 Å²	23	62.2 Å²	62.2	14%	0.141	30%	0.298	C	S	.	.			trans	-132.8	171.1	177.7	71.8	0	0	0	0	110	F6 A57 Y76 C77	T4-F6 PolarHBondContact OG1-N 2.76Å; T4-F6 PolarHBondContact OG1-O 2.74Å; T4-F6 VanDerWaalsContact OG1-O 3.07Å; T4-A57 WeakPolarHBondContact O-CB 3.32Å; T4-Y76 WeakPolarHBondContact O-CD1 3.27Å; T4-Y76 VanDerWaalsContact O-CE1 3.25Å; T4-Y76 WeakPolarHBondContact O-CE1 3.49Å; T4-C77 WeakPolarHBondContact CB-O 3.45Å; T4-C77 WeakPolarHBondContact CG2-O 3.43Å; T4-C77 PolarHBondContact OG1-O 3.45Å
5	R	91.1	Very high	84.2	Confident	75 Å²	75	70.2 Å²	70.2	28%	0.283	33%	0.331	S	S	.	.	S	Bend	trans	-86.3	8.2	172.9	73.3	-173.9	-156.2	116	9.3	113.6	Q34 T50 F51 V52 I54	R5-Q34 VanDerWaalsContact CZ-OE1 3.25Å; R5-T50 WeakPolarHBondContact O-CA 3.47Å; R5-F51 PolarHBondContact NH1-O 3.29Å; R5-F51 PolarHBondContact O-N 3.46Å; R5-V52 PolarHBondContact NH1-O 3.43Å; R5-I54 HydrophobicContact CB-CG1 4Å
6	F	91.1	Very high	84	Confident	18 Å²	18	65.8 Å²	65.8	8%	0.079	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.4	-175.9	-60.7	-94.9	0	0	0	108.6	T4 V49 T50 C77 S79	T4-F6 PolarHBondContact OG1-N 2.76Å; T4-F6 PolarHBondContact OG1-O 2.74Å; T4-F6 VanDerWaalsContact OG1-O 3.07Å; F6-V49 CarbonylContact C-O 3.56Å; F6-V49 WeakPolarHBondContact CA-O 3.3Å; F6-T50 HydrophobicContact CD1-CG2 3.94Å; F6-T50 WeakPolarHBondContact CD1-OG1 3.01Å; F6-T50 HydrophobicContact CE1-CG2 3.6Å; F6-T50 WeakPolarHBondContact CE1-OG1 3.12Å; F6-T50 HydrophobicContact CZ-CG2 4.11Å; F6-C77 HydrophobicContact CB-CB 4.16Å; F6-C77 PolarHBondContact O-N 3.13Å; F6-S79 WeakPolarHBondContact CD2-OG 3.49Å; F6-S79 WeakPolarHBondContact CE2-OG 3.44Å
7	L	91.5	Very high	84.1	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130	172.5	-59.6	-172	0	0	0	109.6	I48 V49 F51 A57 V60 I61 M74 E75 Y76	L7-I48 CarbonylContact O-C 3.41Å; L7-I48 WeakPolarHBondContact O-CA 3.35Å; L7-V49 PolarHBondContact N-O 2.84Å; L7-V49 PolarHBondContact O-N 2.85Å; L7-F51 HydrophobicContact CB-CE2 4.45Å; L7-F51 HydrophobicContact CD1-CE2 3.7Å; L7-F51 HydrophobicContact CD1-CZ 4.33Å; L7-F51 HydrophobicContact CG-CD2 4.36Å; L7-F51 HydrophobicContact CG-CE2 3.9Å; L7-A57 HydrophobicContact CD2-CB 4.17Å; L7-A57 HydrophobicContact CG-CB 4.16Å; L7-V60 HydrophobicContact CD1-CB 4Å; L7-V60 HydrophobicContact CD1-CG1 3.74Å; L7-I61 HydrophobicContact CD1-CB 4.35Å; L7-I61 HydrophobicContact CD2-CB 4.25Å; L7-I61 HydrophobicContact CD2-CD1 4.19Å; L7-M74 HydrophobicContact CD1-SD 3.82Å; L7-E75 CarbonylContact C-O 3.58Å; L7-E75 WeakPolarHBondContact CA-O 3.33Å; L7-Y76 HydrophobicContact CD2-CD1 3.62Å; L7-Y76 HydrophobicContact CD2-CE1 3.83Å; L7-Y76 HydrophobicContact CD2-CG 4.4Å
8	W	91.3	Very high	84.2	Confident	86 Å²	86	70.4 Å²	70.4	33%	0.326	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.8	163.8	-177.7	3.7	0	0	0	107.7	A47 I48 M74 E75 C77	W8-A47 CarbonylContact C-O 3.5Å; W8-A47 WeakPolarHBondContact CA-O 3.28Å; W8-I48 HydrophobicContact CG-CG1 4.49Å; W8-M74 WeakPolarHBondContact O-CA 3.32Å; W8-E75 PolarHBondContact N-O 2.7Å; W8-E75 PolarHBondContact O-N 2.86Å; W8-C77 HydrophobicContact CB-CB 4.1Å
9	I	90.7	Very high	84.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.4	175.7	-48.5	179.1	0	0	0	107.4	L12 L21 L25 H46 A47 V49 L72 K73 M74	I9-L12 HydrophobicContact CB-CD2 4.49Å; I9-L12 HydrophobicContact CG2-CD2 3.7Å; I9-L12 HydrophobicContact CG2-CG 4.3Å; I9-L21 HydrophobicContact CD1-CD2 3.8Å; I9-L25 HydrophobicContact CD1-CD1 3.64Å; I9-L25 HydrophobicContact CD1-CD2 3.89Å; I9-L25 HydrophobicContact CD1-CG 4.4Å; I9-H46 CarbonylContact O-C 3.57Å; I9-H46 WeakPolarHBondContact O-CA 3.24Å; I9-A47 PolarHBondContact N-O 3.01Å; I9-A47 PolarHBondContact O-N 2.77Å; I9-V49 HydrophobicContact CD1-CG2 3.69Å; I9-V49 HydrophobicContact CG1-CG2 4.37Å; I9-L72 HydrophobicContact CG2-CB 4.01Å; I9-L72 HydrophobicContact CG2-CD1 4.39Å; I9-L72 HydrophobicContact CG2-CD2 4.2Å; I9-L72 HydrophobicContact CG2-CG 4.45Å; I9-K73 WeakPolarHBondContact CA-O 3.32Å; I9-M74 HydrophobicContact CB-CG 4.48Å; I9-M74 HydrophobicContact CD1-CE 4.24Å; I9-M74 HydrophobicContact CD1-SD 3.99Å; I9-M74 HydrophobicContact CG1-CG 3.93Å; I9-M74 HydrophobicContact CG1-SD 3.94Å; I9-M74 HydrophobicContact CG2-CG 4.24Å
10	R	86.8	Confident	84.5	Confident	72 Å²	72	69.7 Å²	69.7	27%	0.272	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	172.8	174.8	-62.3	-161.8	-169.4	105.8	14.2	110.9	L12 K73 E75	R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 3.41Å; R10-K73 PolarHBondContact N-O 3.19Å; R10-E75 IonicContact CZ-OE1 3.95Å; R10-E75 IonicContact CZ-OE2 2.74Å; R10-E75 IonicContact NH1-OE1 3.41Å; R10-E75 PolarHBondContact NH1-OE1 3.27Å; R10-E75 IonicContact NH1-OE2 3.14Å; R10-E75 PolarHBondContact NH1-OE2 3.19Å; R10-E75 IonicContact NH2-OE1 2.65Å; R10-E75 IonicContact NH2-OE2 2.83Å; R10-E75 PolarHBondContact NH2-OE2 3.35Å
11	D	82.8	Confident	84.7	Confident	45 Å²	45	66.4 Å²	66.4	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.5	39.3	168	-52.1	-1.1	0	0	0	115.4	M44 H46 K73	D11-M44 HydrophobicContact CB-CE 4.46Å; D11-M44 WeakPolarHBondContact OD1-CE 3.46Å; D11-H46 PolarHBondContact N-ND1 3.2Å; D11-H46 IonicContact OD1-CE1 2.77Å; D11-K73 WeakPolarHBondContact OD2-CD 3.45Å; D11-K73 WeakPolarHBondContact OD2-CE 3.41Å; D11-K73 IonicContact OD2-NZ 3.93Å; D11-K73 PolarHBondContact OD2-NZ 2.89Å
12	L	85.4	Confident	86.1	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.037	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.8	179	-65.7	170.1	0	0	0	111.6	I9 R10 L21 R45 A47 L72	I9-L12 HydrophobicContact CB-CD2 4.49Å; I9-L12 HydrophobicContact CG2-CD2 3.7Å; I9-L12 HydrophobicContact CG2-CG 4.3Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 3.41Å; L12-L21 HydrophobicContact CD1-CD1 3.84Å; L12-L21 HydrophobicContact CD2-CD1 4.06Å; L12-L21 HydrophobicContact CD2-CD2 3.76Å; L12-L21 HydrophobicContact CD2-CG 4.31Å; L12-R45 HydrophobicContact CB-CB 3.67Å; L12-R45 WeakPolarHBondContact CB-O 3.36Å; L12-R45 HydrophobicContact CD1-CB 4.31Å; L12-R45 PolarHBondContact N-O 3.3Å; L12-A47 HydrophobicContact CD1-CB 3.64Å; L12-L72 HydrophobicContact CD2-CD2 3.73Å
13	P	81.4	Confident	86.5	Confident	27 Å²	27	60.2 Å²	60.2	18%	0.175	30%	0.297	C	S	.	.			trans	-55	139.7	173.7	-26.6	34.6	0	0	0	112.5	K15 C16 I67	P13-K15 PolarHBondContact O-N 3.11Å; P13-C16 HydrophobicContact CB-CB 4.38Å; P13-C16 WeakPolarHBondContact O-CB 3.22Å; P13-C16 PolarHBondContact O-N 3.09Å; P13-I67 HydrophobicContact CG-CG2 4.34Å
14	A	77.5	Confident	86.5	Confident	70 Å²	70	55.2 Å²	55.2	58%	0.579	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.3	-174.6	0	0	0	0	0	115	R45	A14-R45 VanDerWaalsContact O-CZ 3.26Å; A14-R45 PolarHBondContact O-NE 3.4Å; A14-R45 PolarHBondContact O-NH2 3.35Å
15	K	77.8	Confident	86.4	Confident	182 Å²	182	54.1 Å²	54.1	79%	0.791	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.6	175.3	-65	-178.2	179.6	177.2	0	114.1	P13	P13-K15 PolarHBondContact O-N 3.11Å
16	C	80.7	Confident	86.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.			trans	-69.3	133.1	-172.3	-176.4	0	0	0	0	113	P13 D20 R45	P13-C16 HydrophobicContact CB-CB 4.38Å; P13-C16 WeakPolarHBondContact O-CB 3.22Å; P13-C16 PolarHBondContact O-N 3.09Å; C16-D20 WeakPolarHBondContact CA-OD2 3.18Å; C16-R45 PolarHBondContact O-NH1 3.34Å
17	K	85.1	Confident	85.8	Confident	138 Å²	138	60.8 Å²	60.8	60%	0.6	30%	0.298	S	S	*	.			trans	-111.8	162.3	178.6	-59.8	174.1	-176.8	172.9	0	111	A19 D20 L21	K17-A19 PolarHBondContact O-N 3.37Å; K17-A19 VanDerWaalsContact O-N 3.1Å; K17-D20 PolarHBondContact N-OD2 3.44Å; K17-D20 PolarHBondContact O-N 3.18Å; K17-D20 VanDerWaalsContact O-N 3.09Å; K17-L21 PolarHBondContact O-N 2.99Å
18	D	87.1	Confident	84.8	Confident	77 Å²	77	64.4 Å²	64.4	41%	0.412	31%	0.314	S	S	.	.	H	α-helix	trans	-51.6	-32.7	174.2	-58.2	60.1	0	0	0	113.4	R22 I36 L38	D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 2.7Å; D18-I36 HydrophobicContact CB-CG2 4.34Å; D18-I36 WeakPolarHBondContact O-CD1 3.41Å; D18-L38 HydrophobicContact CB-CD1 4.38Å
19	A	86.9	Confident	83.6	Confident	67 Å²	67	60.4 Å²	60.4	55%	0.554	30%	0.299	S	S	*	.	H	α-helix	trans	-69.3	-41.9	178.5	0	0	0	0	0	113	K17 L21 R22 N23	K17-A19 PolarHBondContact O-N 3.37Å; K17-A19 VanDerWaalsContact O-N 3.1Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-R22 PolarHBondContact O-N 3.16Å; A19-N23 WeakPolarHBondContact O-CB 3.44Å; A19-N23 PolarHBondContact O-N 2.88Å
20	D	87.3	Confident	82	Confident	59 Å²	59	64.5 Å²	64.5	32%	0.316	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-43.4	-179.7	-41.7	-33.6	0	0	0	109.6	C16 K17 N23 V24	C16-D20 WeakPolarHBondContact CA-OD2 3.18Å; K17-D20 PolarHBondContact N-OD2 3.44Å; K17-D20 PolarHBondContact O-N 3.18Å; K17-D20 VanDerWaalsContact O-N 3.09Å; D20-N23 PolarHBondContact O-N 3.38Å; D20-V24 PolarHBondContact O-N 3.2Å; D20-V24 VanDerWaalsContact O-N 3.1Å
21	L	88.9	Confident	81.2	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-47.4	172.9	-81.7	160.8	0	0	0	111.8	I9 L12 K17 A19 N23 V24 L25 I36 L38 A47 I67 L72	I9-L21 HydrophobicContact CD1-CD2 3.8Å; L12-L21 HydrophobicContact CD1-CD1 3.84Å; L12-L21 HydrophobicContact CD2-CD1 4.06Å; L12-L21 HydrophobicContact CD2-CD2 3.76Å; L12-L21 HydrophobicContact CD2-CG 4.31Å; K17-L21 PolarHBondContact O-N 2.99Å; A19-L21 VanDerWaalsContact C-N 3.33Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 3.25Å; L21-V24 PolarHBondContact O-N 3.47Å; L21-L25 HydrophobicContact CB-CD1 4.08Å; L21-L25 HydrophobicContact CD2-CD1 3.95Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 VanDerWaalsContact O-CD1 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.34Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.47Å; L21-I36 HydrophobicContact CB-CD1 4.23Å; L21-L38 HydrophobicContact CD1-CD1 3.74Å; L21-L38 HydrophobicContact CD1-CG 4.35Å; L21-A47 HydrophobicContact CD1-CB 4.02Å; L21-I67 HydrophobicContact CD2-CD1 3.69Å; L21-I67 HydrophobicContact CG-CD1 3.9Å; L21-L72 HydrophobicContact CD2-CD1 4.04Å
22	R	90.2	Very high	81.1	Confident	96 Å²	96	63.5 Å²	63.5	36%	0.362	35%	0.353	S	S	.	.	H	α-helix	trans	-56.3	-47.1	175.7	179.3	174.1	-81.9	-83.2	-1	111.7	D18 A19 V24 L25 E26 I33 I36	D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 2.7Å; A19-R22 PolarHBondContact O-N 3.16Å; R22-V24 PolarHBondContact O-N 2.79Å; R22-L25 PolarHBondContact O-N 3.39Å; R22-E26 WeakPolarHBondContact CD-OE2 3.39Å; R22-E26 HydrophobicContact CG-CG 4.19Å; R22-E26 WeakPolarHBondContact CG-OE2 3.34Å; R22-E26 IonicContact CZ-OE1 2.7Å; R22-E26 IonicContact CZ-OE2 2.72Å; R22-E26 IonicContact NE-OE2 2.71Å; R22-E26 IonicContact NH1-OE1 3.68Å; R22-E26 PolarHBondContact NH1-OE1 3.46Å; R22-E26 IonicContact NH1-OE2 3.85Å; R22-E26 PolarHBondContact NH1-OE2 2.99Å; R22-E26 WeakPolarHBondContact O-CB 3.47Å; R22-E26 WeakPolarHBondContact O-CG 3.48Å; R22-E26 PolarHBondContact O-N 2.98Å; R22-I33 PolarHBondContact NH2-O 3.32Å; R22-I36 HydrophobicContact CB-CD1 3.93Å
23	N	86.3	Confident	81.3	Confident	99 Å²	99	63.5 Å²	63.5	53%	0.529	35%	0.352	S	S	.	.	H	α-helix	trans	-63.2	-42.1	-176.5	-171.6	-13.6	0	0	0	112.9	A19 D20 L21 R27	A19-N23 WeakPolarHBondContact O-CB 3.44Å; A19-N23 PolarHBondContact O-N 2.88Å; D20-N23 PolarHBondContact O-N 3.38Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-N23 PolarHBondContact O-N 3.25Å; N23-R27 WeakPolarHBondContact O-CB 3.2Å; N23-R27 PolarHBondContact OD1-NH2 3.08Å
24	V	86.8	Confident	81.6	Confident	19 Å²	19	67.8 Å²	67.8	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-73	-47.4	176.4	173	0	0	0	0	111.3	D20 L21 R22 E26 R27 H28 N65 I67	D20-V24 PolarHBondContact O-N 3.2Å; D20-V24 VanDerWaalsContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 3.47Å; R22-V24 PolarHBondContact O-N 2.79Å; V24-E26 PolarHBondContact O-N 3.34Å; V24-R27 VanDerWaalsContact O-CB 3.31Å; V24-R27 WeakPolarHBondContact O-CB 3.44Å; V24-R27 PolarHBondContact O-N 3.17Å; V24-R27 VanDerWaalsContact O-N 3.11Å; V24-H28 PolarHBondContact O-CD2 2.59Å; V24-H28 PolarHBondContact O-N 3.27Å; V24-N65 HydrophobicContact CG1-CB 3.9Å; V24-N65 WeakPolarHBondContact CG1-OD1 3.46Å; V24-I67 HydrophobicContact CB-CD1 4.42Å; V24-I67 HydrophobicContact CB-CG1 4.23Å; V24-I67 HydrophobicContact CG1-CG1 4.45Å; V24-I67 HydrophobicContact CG2-CD1 4.33Å; V24-I67 HydrophobicContact CG2-CG1 3.79Å
25	L	88.2	Confident	82.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-70.6	-31.6	-173	-60.9	168.2	0	0	0	113.1	I9 L21 R22 R27 G29 I33 V49 F51 V60 M74	I9-L25 HydrophobicContact CD1-CD1 3.64Å; I9-L25 HydrophobicContact CD1-CD2 3.89Å; I9-L25 HydrophobicContact CD1-CG 4.4Å; L21-L25 HydrophobicContact CB-CD1 4.08Å; L21-L25 HydrophobicContact CD2-CD1 3.95Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 VanDerWaalsContact O-CD1 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.34Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.47Å; R22-L25 PolarHBondContact O-N 3.39Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-G29 WeakPolarHBondContact O-CA 3.49Å; L25-G29 PolarHBondContact O-N 2.83Å; L25-I33 HydrophobicContact CB-CD1 3.6Å; L25-I33 HydrophobicContact CD1-CD1 4.22Å; L25-V49 HydrophobicContact CD1-CB 4.43Å; L25-V49 HydrophobicContact CD1-CG1 4.1Å; L25-V49 HydrophobicContact CD1-CG2 3.8Å; L25-F51 HydrophobicContact CB-CZ 4.32Å; L25-V60 HydrophobicContact CD2-CG1 3.55Å; L25-V60 WeakPolarHBondContact O-CG2 3.36Å; L25-M74 HydrophobicContact CD2-CE 3.39Å; L25-M74 HydrophobicContact CD2-SD 3.96Å
26	E	86.6	Confident	82.7	Confident	68 Å²	68	61.9 Å²	61.9	32%	0.318	33%	0.332	S	S	.	.	H	α-helix	trans	-79.5	-12.5	173.4	-63.4	-168	132.7	0	0	113.1	R22 V24 S32 I33	R22-E26 WeakPolarHBondContact CD-OE2 3.39Å; R22-E26 HydrophobicContact CG-CG 4.19Å; R22-E26 WeakPolarHBondContact CG-OE2 3.34Å; R22-E26 IonicContact CZ-OE1 2.7Å; R22-E26 IonicContact CZ-OE2 2.72Å; R22-E26 IonicContact NE-OE2 2.71Å; R22-E26 IonicContact NH1-OE1 3.68Å; R22-E26 PolarHBondContact NH1-OE1 3.46Å; R22-E26 IonicContact NH1-OE2 3.85Å; R22-E26 PolarHBondContact NH1-OE2 2.99Å; R22-E26 WeakPolarHBondContact O-CB 3.47Å; R22-E26 WeakPolarHBondContact O-CG 3.48Å; R22-E26 PolarHBondContact O-N 2.98Å; V24-E26 PolarHBondContact O-N 3.34Å; E26-S32 WeakPolarHBondContact OE1-CA 3.33Å; E26-I33 HydrophobicContact CG-CB 4.46Å; E26-I33 HydrophobicContact CG-CD1 3.58Å; E26-I33 HydrophobicContact CG-CG1 3.78Å; E26-I33 PolarHBondContact OE1-N 2.91Å
27	R	82.5	Confident	83	Confident	165 Å²	165	65.9 Å²	65.9	62%	0.623	35%	0.347	S	S	*	.	H	α-helix	trans	-77.2	-38.4	173.1	-171.1	-176.6	-55.3	-175.7	2.9	112.4	N23 V24 L25	N23-R27 WeakPolarHBondContact O-CB 3.2Å; N23-R27 PolarHBondContact OD1-NH2 3.08Å; V24-R27 VanDerWaalsContact O-CB 3.31Å; V24-R27 WeakPolarHBondContact O-CB 3.44Å; V24-R27 PolarHBondContact O-N 3.17Å; V24-R27 VanDerWaalsContact O-N 3.11Å; L25-R27 VanDerWaalsContact C-N 3.32Å
28	H	71.4	Confident	83.2	Confident	76 Å²	76	61.3 Å²	61.3	35%	0.352	33%	0.329	S	S	.	.	H	α-helix	trans	-99.1	-23.3	-179.3	-60.5	-79.5	0	0	0	112.9	V24 T63 N65	V24-H28 PolarHBondContact O-CD2 2.59Å; V24-H28 PolarHBondContact O-N 3.27Å; H28-T63 HydrophobicContact CB-CG2 4.44Å; H28-T63 WeakPolarHBondContact CB-OG1 3.47Å; H28-N65 PolarHBondContact CD2-OD1 3.34Å; H28-N65 VanDerWaalsContact CD2-OD1 3.27Å
29	G	64.4	Low	83.1	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.01	33%	0.325	C	S	.	.	S	Bend	trans	-102.1	103.3	173.7	0	0	0	0	0	112.5	L25 G31	L25-G29 WeakPolarHBondContact O-CA 3.49Å; L25-G29 PolarHBondContact O-N 2.83Å; G29-G31 PolarHBondContact O-N 3.28Å
30	G	58.5	Low	82.9	Confident	86 Å²	86	65.8 Å²	65.8	89%	0.887	33%	0.333	S	S	*	.	S	Bend	trans	-69.3	40.2	179.3	0	0	0	0	0	116.3
31	G	69.4	Low	82.2	Confident	20 Å²	20	67.9 Å²	67.9	21%	0.206	34%	0.341	C	S	.	.	S	Bend	trans	-163	143.5	171.2	0	0	0	0	0	111.8	G29 S56	G29-G31 PolarHBondContact O-N 3.28Å; G31-S56 WeakPolarHBondContact CA-OG 3.37Å
32	S	81.2	Confident	81.4	Confident	77 Å²	77	70.6 Å²	70.6	54%	0.538	37%	0.369	S	S	.	.			trans	-60.7	144.3	-163	-50.6	0	0	0	0	114.7	E26 Q34 V52	E26-S32 WeakPolarHBondContact OE1-CA 3.33Å; S32-Q34 PolarHBondContact O-N 3.4Å; S32-V52 WeakPolarHBondContact O-CG2 3.35Å; S32-V52 PolarHBondContact O-N 3.1Å; S32-V52 VanDerWaalsContact O-N 3.11Å
33	I	88.1	Confident	80.6	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.9	171.6	-63.8	170.5	0	0	0	109.3	R22 L25 E26 I36 V49 F51	R22-I33 PolarHBondContact NH2-O 3.32Å; L25-I33 HydrophobicContact CB-CD1 3.6Å; L25-I33 HydrophobicContact CD1-CD1 4.22Å; E26-I33 HydrophobicContact CG-CB 4.46Å; E26-I33 HydrophobicContact CG-CD1 3.58Å; E26-I33 HydrophobicContact CG-CG1 3.78Å; E26-I33 PolarHBondContact OE1-N 2.91Å; I33-I36 HydrophobicContact CD1-CD1 4.47Å; I33-I36 HydrophobicContact CG2-CD1 4.24Å; I33-I36 HydrophobicContact CG2-CG1 3.66Å; I33-V49 HydrophobicContact CD1-CG1 4.11Å; I33-V49 HydrophobicContact CG1-CG1 4.17Å; I33-V49 HydrophobicContact CG2-CG1 3.71Å; I33-F51 HydrophobicContact CD1-CE1 4.27Å; I33-F51 HydrophobicContact CD1-CZ 4.44Å; I33-F51 HydrophobicContact CG1-CD1 4Å; I33-F51 HydrophobicContact CG1-CE1 3.67Å; I33-F51 HydrophobicContact CG1-CZ 4.18Å
34	Q	88.2	Confident	80.1	Confident	117 Å²	117	74.4 Å²	74.4	55%	0.547	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-37.6	177.8	-173.2	174.7	41.5	0	0	112	R5 S32 T50 V52	R5-Q34 VanDerWaalsContact CZ-OE1 3.25Å; S32-Q34 PolarHBondContact O-N 3.4Å; Q34-T50 WeakPolarHBondContact CA-O 3.49Å; Q34-T50 HydrophobicContact CB-CG2 4.39Å; Q34-T50 WeakPolarHBondContact CB-O 3.43Å; Q34-T50 PolarHBondContact N-O 3.37Å; Q34-V52 HydrophobicContact CB-CG2 4.28Å
35	K	87.9	Confident	80	Confident	105 Å²	105	77 Å²	77	46%	0.457	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	141.8	179.7	-166.9	164.6	-172.6	166.2	0	112.2	T50	K35-T50 PolarHBondContact N-O 2.72Å; K35-T50 VanDerWaalsContact N-O 3.14Å; K35-T50 PolarHBondContact O-N 2.78Å
36	I	90.5	Very high	80.1	Confident	23 Å²	23	78 Å²	78	12%	0.118	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.7	164.2	-58.8	179.4	0	0	0	107.2	D18 L21 R22 I33 L38 V49	D18-I36 HydrophobicContact CB-CG2 4.34Å; D18-I36 WeakPolarHBondContact O-CD1 3.41Å; L21-I36 HydrophobicContact CB-CD1 4.23Å; R22-I36 HydrophobicContact CB-CD1 3.93Å; I33-I36 HydrophobicContact CD1-CD1 4.47Å; I33-I36 HydrophobicContact CG2-CD1 4.24Å; I33-I36 HydrophobicContact CG2-CG1 3.66Å; I36-L38 HydrophobicContact CG2-CD1 3.43Å; I36-L38 VanDerWaalsContact CG2-CD1 3.43Å; I36-V49 HydrophobicContact CG1-CG1 4.32Å; I36-V49 HydrophobicContact CG1-CG2 4.32Å; I36-V49 HydrophobicContact CG2-CG2 4.43Å
37	R	88.4	Confident	80.3	Confident	84 Å²	84	74.8 Å²	74.8	32%	0.317	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	120.6	163.2	-81.1	-177.1	169.2	164	-0.2	108.5	F39 A47 I48 T82	R37-F39 HydrophobicContact CB-CE2 3.77Å; R37-F39 HydrophobicContact CB-CZ 4.04Å; R37-F39 WeakPolarHBondContact O-CE2 3.12Å; R37-A47 CarbonylContact O-C 3.58Å; R37-A47 WeakPolarHBondContact O-CA 3.31Å; R37-A47 WeakPolarHBondContact O-CB 3.39Å; R37-I48 PolarHBondContact N-O 3.29Å; R37-I48 PolarHBondContact O-N 3.29Å; R37-T82 VanDerWaalsContact CZ-O 3.27Å; R37-T82 PolarHBondContact NH1-O 3.39Å; R37-T82 PolarHBondContact NH2-O 3.12Å
38	L	88.7	Confident	80.7	Confident	42 Å²	42	68.4 Å²	68.4	22%	0.22	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	145.6	166.9	-86.3	60.7	0	0	0	110.5	D18 L21 I36 H46 A47	D18-L38 HydrophobicContact CB-CD1 4.38Å; L21-L38 HydrophobicContact CD1-CD1 3.74Å; L21-L38 HydrophobicContact CD1-CG 4.35Å; I36-L38 HydrophobicContact CG2-CD1 3.43Å; I36-L38 VanDerWaalsContact CG2-CD1 3.43Å; L38-H46 CarbonylContact C-O 3.48Å; L38-H46 WeakPolarHBondContact CA-O 3.38Å; L38-A47 HydrophobicContact CD1-CB 3.89Å; L38-A47 HydrophobicContact CG-CB 4.25Å
39	F	84.3	Confident	81.7	Confident	75 Å²	75	64.8 Å²	64.8	33%	0.329	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.4	173.6	-55.4	-97.1	0	0	0	107.4	R37 R45 H46 I48	R37-F39 HydrophobicContact CB-CE2 3.77Å; R37-F39 HydrophobicContact CB-CZ 4.04Å; R37-F39 WeakPolarHBondContact O-CE2 3.12Å; F39-R45 WeakPolarHBondContact O-CA 3.22Å; F39-H46 PolarHBondContact N-O 2.86Å; F39-H46 PolarHBondContact O-N 2.66Å; F39-I48 HydrophobicContact CE2-CB 4.04Å; F39-I48 HydrophobicContact CE2-CD1 3.85Å; F39-I48 HydrophobicContact CE2-CG1 3.78Å; F39-I48 HydrophobicContact CZ-CD1 4.03Å; F39-I48 HydrophobicContact CZ-CG1 4.44Å
40	K	82.7	Confident	83	Confident	164 Å²	164	65.2 Å²	65.2	71%	0.713	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.5	174.8	-178.1	-171.5	172.2	-171.5	0	108.2	G42	K40-G42 WeakPolarHBondContact CE-O 3.37Å
41	E	73.5	Confident	84.5	Confident	103 Å²	103	61.1 Å²	61.1	48%	0.481	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	102.8	-179.9	-169.3	151.5	-152.8	0	0	108.1	H43 M44	E41-H43 PolarHBondContact O-N 2.76Å; E41-M44 PolarHBondContact N-O 3.3Å; E41-M44 PolarHBondContact O-N 3.25Å
42	G	72.5	Confident	85.6	Confident	57 Å²	57	63.6 Å²	63.6	59%	0.588	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	-120.6	-168.3	0	0	0	0	0	112.2	K40	K40-G42 WeakPolarHBondContact CE-O 3.37Å
43	H	72.4	Confident	85.9	Confident	183 Å²	183	64.2 Å²	64.2	85%	0.847	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.3	175.7	-61.4	-89.1	0	0	0	113	E41	E41-H43 PolarHBondContact O-N 2.76Å
44	M	76	Confident	86.1	Confident	92 Å²	92	68.1 Å²	68.1	45%	0.453	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.8	-175.8	-57.5	-171.8	82.2	0	0	111	D11 E41	D11-M44 HydrophobicContact CB-CE 4.46Å; D11-M44 WeakPolarHBondContact OD1-CE 3.46Å; E41-M44 PolarHBondContact N-O 3.3Å; E41-M44 PolarHBondContact O-N 3.25Å
45	R	84.7	Confident	86.1	Confident	74 Å²	74	71.1 Å²	71.1	28%	0.279	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	142	168.1	-75	-176.4	-174.5	-126.5	-3.3	109.5	L12 A14 C16 F39	L12-R45 HydrophobicContact CB-CB 3.67Å; L12-R45 WeakPolarHBondContact CB-O 3.36Å; L12-R45 HydrophobicContact CD1-CB 4.31Å; L12-R45 PolarHBondContact N-O 3.3Å; A14-R45 VanDerWaalsContact O-CZ 3.26Å; A14-R45 PolarHBondContact O-NE 3.4Å; A14-R45 PolarHBondContact O-NH2 3.35Å; C16-R45 PolarHBondContact O-NH1 3.34Å; F39-R45 WeakPolarHBondContact O-CA 3.22Å
46	H	89.9	Confident	86.3	Confident	21 Å²	21	66.5 Å²	66.5	10%	0.097	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.2	175.1	-60.6	-30.6	0	0	0	108.9	I9 D11 L38 F39	I9-H46 CarbonylContact O-C 3.57Å; I9-H46 WeakPolarHBondContact O-CA 3.24Å; D11-H46 PolarHBondContact N-ND1 3.2Å; D11-H46 IonicContact OD1-CE1 2.77Å; L38-H46 CarbonylContact C-O 3.48Å; L38-H46 WeakPolarHBondContact CA-O 3.38Å; F39-H46 PolarHBondContact N-O 2.86Å; F39-H46 PolarHBondContact O-N 2.66Å
47	A	90.6	Very high	86.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.7	174.6	0	0	0	0	0	112.6	W8 I9 L12 L21 R37 L38	W8-A47 CarbonylContact C-O 3.5Å; W8-A47 WeakPolarHBondContact CA-O 3.28Å; I9-A47 PolarHBondContact N-O 3.01Å; I9-A47 PolarHBondContact O-N 2.77Å; L12-A47 HydrophobicContact CD1-CB 3.64Å; L21-A47 HydrophobicContact CD1-CB 4.02Å; R37-A47 CarbonylContact O-C 3.58Å; R37-A47 WeakPolarHBondContact O-CA 3.31Å; R37-A47 WeakPolarHBondContact O-CB 3.39Å; L38-A47 HydrophobicContact CD1-CB 3.89Å; L38-A47 HydrophobicContact CG-CB 4.25Å
48	I	92.1	Very high	86.4	Confident	30 Å²	30	62.1 Å²	62.1	15%	0.154	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.2	165.5	-62.6	174.9	0	0	0	108	L7 W8 R37 F39	L7-I48 CarbonylContact O-C 3.41Å; L7-I48 WeakPolarHBondContact O-CA 3.35Å; W8-I48 HydrophobicContact CG-CG1 4.49Å; R37-I48 PolarHBondContact N-O 3.29Å; R37-I48 PolarHBondContact O-N 3.29Å; F39-I48 HydrophobicContact CE2-CB 4.04Å; F39-I48 HydrophobicContact CE2-CD1 3.85Å; F39-I48 HydrophobicContact CE2-CG1 3.78Å; F39-I48 HydrophobicContact CZ-CD1 4.03Å; F39-I48 HydrophobicContact CZ-CG1 4.44Å
49	V	91.4	Very high	86.4	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.6	-177.7	-177.4	0	0	0	0	109.3	F6 L7 I9 L25 I33 I36 F51	F6-V49 CarbonylContact C-O 3.56Å; F6-V49 WeakPolarHBondContact CA-O 3.3Å; L7-V49 PolarHBondContact N-O 2.84Å; L7-V49 PolarHBondContact O-N 2.85Å; I9-V49 HydrophobicContact CD1-CG2 3.69Å; I9-V49 HydrophobicContact CG1-CG2 4.37Å; L25-V49 HydrophobicContact CD1-CB 4.43Å; L25-V49 HydrophobicContact CD1-CG1 4.1Å; L25-V49 HydrophobicContact CD1-CG2 3.8Å; I33-V49 HydrophobicContact CD1-CG1 4.11Å; I33-V49 HydrophobicContact CG1-CG1 4.17Å; I33-V49 HydrophobicContact CG2-CG1 3.71Å; I36-V49 HydrophobicContact CG1-CG1 4.32Å; I36-V49 HydrophobicContact CG1-CG2 4.32Å; I36-V49 HydrophobicContact CG2-CG2 4.43Å; V49-F51 HydrophobicContact CB-CE2 4.22Å; V49-F51 HydrophobicContact CG1-CD2 4.14Å; V49-F51 HydrophobicContact CG1-CE2 3.58Å; V49-F51 HydrophobicContact CG1-CZ 3.92Å
50	T	91.7	Very high	86.7	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.1	177.1	-50.5	0	0	0	0	109.1	R5 F6 Q34 K35	R5-T50 WeakPolarHBondContact O-CA 3.47Å; F6-T50 HydrophobicContact CD1-CG2 3.94Å; F6-T50 WeakPolarHBondContact CD1-OG1 3.01Å; F6-T50 HydrophobicContact CE1-CG2 3.6Å; F6-T50 WeakPolarHBondContact CE1-OG1 3.12Å; F6-T50 HydrophobicContact CZ-CG2 4.11Å; Q34-T50 WeakPolarHBondContact CA-O 3.49Å; Q34-T50 HydrophobicContact CB-CG2 4.39Å; Q34-T50 WeakPolarHBondContact CB-O 3.43Å; Q34-T50 PolarHBondContact N-O 3.37Å; K35-T50 PolarHBondContact N-O 2.72Å; K35-T50 VanDerWaalsContact N-O 3.14Å; K35-T50 PolarHBondContact O-N 2.78Å
51	F	91.3	Very high	87.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	157.6	170.6	-68.2	-94	0	0	0	110.4	R5 L7 L25 I33 V49 A57 V60	R5-F51 PolarHBondContact NH1-O 3.29Å; R5-F51 PolarHBondContact O-N 3.46Å; L7-F51 HydrophobicContact CB-CE2 4.45Å; L7-F51 HydrophobicContact CD1-CE2 3.7Å; L7-F51 HydrophobicContact CD1-CZ 4.33Å; L7-F51 HydrophobicContact CG-CD2 4.36Å; L7-F51 HydrophobicContact CG-CE2 3.9Å; L25-F51 HydrophobicContact CB-CZ 4.32Å; I33-F51 HydrophobicContact CD1-CE1 4.27Å; I33-F51 HydrophobicContact CD1-CZ 4.44Å; I33-F51 HydrophobicContact CG1-CD1 4Å; I33-F51 HydrophobicContact CG1-CE1 3.67Å; I33-F51 HydrophobicContact CG1-CZ 4.18Å; V49-F51 HydrophobicContact CB-CE2 4.22Å; V49-F51 HydrophobicContact CG1-CD2 4.14Å; V49-F51 HydrophobicContact CG1-CE2 3.58Å; V49-F51 HydrophobicContact CG1-CZ 3.92Å; F51-A57 HydrophobicContact CB-CB 4.24Å; F51-A57 HydrophobicContact CD2-CB 3.68Å; F51-A57 HydrophobicContact CE2-CB 4.33Å; F51-A57 HydrophobicContact CG-CB 4.05Å; F51-V60 HydrophobicContact CE1-CG2 3.8Å; F51-V60 HydrophobicContact CZ-CB 4.14Å; F51-V60 HydrophobicContact CZ-CG1 4.24Å; F51-V60 HydrophobicContact CZ-CG2 3.7Å
52	V	90.6	Very high	87.7	Confident	72 Å²	72	53.5 Å²	53.5	44%	0.436	29%	0.286	S	S	.	.	S	Bend	trans	-59.4	-56.4	166.8	172.1	0	0	0	0	109.2	R5 S32 Q34	R5-V52 PolarHBondContact NH1-O 3.43Å; S32-V52 WeakPolarHBondContact O-CG2 3.35Å; S32-V52 PolarHBondContact O-N 3.1Å; S32-V52 VanDerWaalsContact O-N 3.11Å; Q34-V52 HydrophobicContact CB-CG2 4.28Å
53	D	89.2	Confident	88.4	Confident	89 Å²	89	53.3 Å²	53.3	48%	0.476	27%	0.273	S	S	.	.			trans	-106.6	147.9	-175.5	-70.1	-43.9	0	0	0	114.5	K55 S56 A57	D53-K55 HydrophobicContact CB-CB 4.41Å; D53-K55 PolarHBondContact O-N 3Å; D53-S56 PolarHBondContact O-N 3.21Å; D53-A57 PolarHBondContact O-N 3.39Å
54	I	90.8	Very high	88.9	Confident	89 Å²	89	51.4 Å²	51.4	46%	0.456	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-30.3	168.9	-56.6	174.3	0	0	0	110.7	K3 R5 A58	K3-I54 HydrophobicContact CB-CG2 4Å; R5-I54 HydrophobicContact CB-CG1 4Å; I54-A58 VanDerWaalsContact O-CB 3.25Å; I54-A58 WeakPolarHBondContact O-CB 3.42Å; I54-A58 PolarHBondContact O-N 3.27Å
55	K	90	Very high	89.3	Confident	180 Å²	180	47.1 Å²	47.1	78%	0.783	24%	0.244	S	C	*	.	H	α-helix	trans	-62.2	-43.8	176.2	-68.6	-176.1	179.2	-179.9	0	111.8	D53 A58 A59	D53-K55 HydrophobicContact CB-CB 4.41Å; D53-K55 PolarHBondContact O-N 3Å; K55-A58 CarbonylContact O-C 3.27Å; K55-A58 PolarHBondContact O-N 3.14Å; K55-A59 PolarHBondContact O-N 3.47Å
56	S	91.1	Very high	89.3	Confident	8 Å²	8	48.6 Å²	48.6	6%	0.056	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-45.4	178.6	-47.3	0	0	0	0	111.5	G31 D53 A58 A59 V60	G31-S56 WeakPolarHBondContact CA-OG 3.37Å; D53-S56 PolarHBondContact O-N 3.21Å; S56-A58 PolarHBondContact O-N 2.95Å; S56-A59 PolarHBondContact O-N 2.87Å; S56-A59 VanDerWaalsContact O-N 3.17Å; S56-V60 WeakPolarHBondContact O-CG2 3.47Å; S56-V60 PolarHBondContact O-N 3.2Å
57	A	91.4	Very high	88.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-33.9	172.9	0	0	0	0	0	112.5	T4 L7 F51 D53 I61 Y76	T4-A57 WeakPolarHBondContact O-CB 3.32Å; L7-A57 HydrophobicContact CD2-CB 4.17Å; L7-A57 HydrophobicContact CG-CB 4.16Å; F51-A57 HydrophobicContact CB-CB 4.24Å; F51-A57 HydrophobicContact CD2-CB 3.68Å; F51-A57 HydrophobicContact CE2-CB 4.33Å; F51-A57 HydrophobicContact CG-CB 4.05Å; D53-A57 PolarHBondContact O-N 3.39Å; A57-I61 WeakPolarHBondContact O-CG2 3.45Å; A57-I61 PolarHBondContact O-N 3.49Å; A57-I61 VanDerWaalsContact O-N 3.14Å; A57-Y76 HydrophobicContact CB-CE1 4.42Å
58	A	90	Very high	88.3	Confident	14 Å²	14	53.1 Å²	53.1	12%	0.116	28%	0.277	C	S	.	.	H	α-helix	trans	-75.6	-28.4	175.6	0	0	0	0	0	114.5	K3 I54 K55 S56 N62 Y76	K3-A58 HydrophobicContact CD-CB 4.23Å; I54-A58 VanDerWaalsContact O-CB 3.25Å; I54-A58 WeakPolarHBondContact O-CB 3.42Å; I54-A58 PolarHBondContact O-N 3.27Å; K55-A58 CarbonylContact O-C 3.27Å; K55-A58 PolarHBondContact O-N 3.14Å; S56-A58 PolarHBondContact O-N 2.95Å; A58-N62 VanDerWaalsContact O-CB 3.26Å; A58-N62 WeakPolarHBondContact O-CB 3.13Å; A58-N62 PolarHBondContact O-OD1 2.8Å; A58-Y76 VanDerWaalsContact CA-OH 3.25Å; A58-Y76 WeakPolarHBondContact CA-OH 3.26Å; A58-Y76 VanDerWaalsContact CB-OH 3.29Å; A58-Y76 WeakPolarHBondContact CB-OH 3.16Å
59	A	89	Confident	87.6	Confident	39 Å²	39	59 Å²	59	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-48.9	169.8	0	0	0	0	0	110.3	K55 S56 N62 T63	K55-A59 PolarHBondContact O-N 3.47Å; S56-A59 PolarHBondContact O-N 2.87Å; S56-A59 VanDerWaalsContact O-N 3.17Å; A59-N62 PolarHBondContact O-N 2.97Å; A59-T63 PolarHBondContact O-N 3.23Å; A59-T63 PolarHBondContact O-OG1 2.76Å
60	V	90.9	Very high	87	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-52.4	-178	173.7	0	0	0	0	112.4	L7 L25 F51 S56 N62 T63 N65 M74	L7-V60 HydrophobicContact CD1-CB 4Å; L7-V60 HydrophobicContact CD1-CG1 3.74Å; L25-V60 HydrophobicContact CD2-CG1 3.55Å; L25-V60 WeakPolarHBondContact O-CG2 3.36Å; F51-V60 HydrophobicContact CE1-CG2 3.8Å; F51-V60 HydrophobicContact CZ-CB 4.14Å; F51-V60 HydrophobicContact CZ-CG1 4.24Å; F51-V60 HydrophobicContact CZ-CG2 3.7Å; S56-V60 WeakPolarHBondContact O-CG2 3.47Å; S56-V60 PolarHBondContact O-N 3.2Å; V60-N62 PolarHBondContact O-N 2.78Å; V60-T63 PolarHBondContact O-N 2.7Å; V60-T63 VanDerWaalsContact O-O 3.1Å; V60-T63 PolarHBondContact O-OG1 3.42Å; V60-N65 PolarHBondContact O-ND2 3.3Å; V60-M74 HydrophobicContact CG1-CE 3.9Å; V60-M74 HydrophobicContact CG1-SD 3.62Å
61	I	89.7	Confident	86.6	Confident	44 Å²	44	64.7 Å²	64.7	23%	0.226	34%	0.342	C	S	.	.	H	α-helix	trans	-65.5	-20.9	-179.1	-161.3	172.7	0	0	0	113.3	L7 A57 T63 M74 Y76	L7-I61 HydrophobicContact CD1-CB 4.35Å; L7-I61 HydrophobicContact CD2-CB 4.25Å; L7-I61 HydrophobicContact CD2-CD1 4.19Å; A57-I61 WeakPolarHBondContact O-CG2 3.45Å; A57-I61 PolarHBondContact O-N 3.49Å; A57-I61 VanDerWaalsContact O-N 3.14Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-M74 HydrophobicContact CG1-CB 4.15Å; I61-Y76 HydrophobicContact CD1-CD2 3.79Å; I61-Y76 HydrophobicContact CD1-CE2 3.88Å; I61-Y76 HydrophobicContact CD1-CG 4.18Å; I61-Y76 HydrophobicContact CG2-CE1 4.31Å; I61-Y76 HydrophobicContact CG2-CE2 3.94Å; I61-Y76 WeakPolarHBondContact CG2-OH 3.45Å
62	N	87.6	Confident	86.4	Confident	120 Å²	120	65.4 Å²	65.4	64%	0.642	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	0.4	175.4	-79.4	26	0	0	0	113	A58 A59 V60	A58-N62 VanDerWaalsContact O-CB 3.26Å; A58-N62 WeakPolarHBondContact O-CB 3.13Å; A58-N62 PolarHBondContact O-OD1 2.8Å; A59-N62 PolarHBondContact O-N 2.97Å; V60-N62 PolarHBondContact O-N 2.78Å
63	T	85.9	Confident	86.1	Confident	54 Å²	54	68.3 Å²	68.3	33%	0.331	35%	0.352	S	S	.	.	S	Bend	trans	-119.3	139.4	-179.9	49.3	0	0	0	0	110.9	H28 A59 V60 I61 N65	H28-T63 HydrophobicContact CB-CG2 4.44Å; H28-T63 WeakPolarHBondContact CB-OG1 3.47Å; A59-T63 PolarHBondContact O-N 3.23Å; A59-T63 PolarHBondContact O-OG1 2.76Å; V60-T63 PolarHBondContact O-N 2.7Å; V60-T63 VanDerWaalsContact O-O 3.1Å; V60-T63 PolarHBondContact O-OG1 3.42Å; I61-T63 VanDerWaalsContact C-N 3.32Å; T63-N65 PolarHBondContact O-N 3.19Å; T63-N65 VanDerWaalsContact O-N 3.1Å; T63-N65 PolarHBondContact O-ND2 2.66Å; T63-N65 PolarHBondContact OG1-ND2 2.86Å
64	E	83.4	Confident	86.1	Confident	142 Å²	142	65.3 Å²	65.3	66%	0.664	34%	0.336	S	S	*	.			trans	-67.8	108.5	169.4	-74.1	-171	-159.6	0	0	110.3	K66 L71	E64-K66 IonicContact OE2-NZ 2.7Å; E64-L71 HydrophobicContact CB-CD2 4.01Å; E64-L71 HydrophobicContact CG-CD2 4.13Å
65	N	84.7	Confident	86	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.011	33%	0.33	C	S	.	.			trans	-102.2	129.2	175.1	-72.7	-108.9	0	0	0	108.5	V24 H28 V60 T63 L72 M74	V24-N65 HydrophobicContact CG1-CB 3.9Å; V24-N65 WeakPolarHBondContact CG1-OD1 3.46Å; H28-N65 PolarHBondContact CD2-OD1 3.34Å; H28-N65 VanDerWaalsContact CD2-OD1 3.27Å; V60-N65 PolarHBondContact O-ND2 3.3Å; T63-N65 PolarHBondContact O-N 3.19Å; T63-N65 VanDerWaalsContact O-N 3.1Å; T63-N65 PolarHBondContact O-ND2 2.66Å; T63-N65 PolarHBondContact OG1-ND2 2.86Å; N65-L72 HydrophobicContact CB-CB 4.31Å; N65-L72 HydrophobicContact CB-CD1 4.04Å; N65-L72 HydrophobicContact CB-CG 4.4Å; N65-L72 WeakPolarHBondContact O-CB 3.47Å; N65-L72 PolarHBondContact O-N 2.93Å; N65-M74 HydrophobicContact CB-CE 3.53Å
66	K	83.9	Confident	86.1	Confident	106 Å²	106	57 Å²	57	46%	0.461	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.3	178.8	-63.5	179.4	-175.1	179	0	110.5	E64 S70 L71	E64-K66 IonicContact OE2-NZ 2.7Å; K66-S70 VanDerWaalsContact CA-O 3.3Å; K66-S70 WeakPolarHBondContact CA-O 3.48Å; K66-L71 HydrophobicContact CD-CD2 4.22Å; K66-L71 HydrophobicContact CD-CG 4.35Å; K66-L71 VanDerWaalsContact CE-CD2 3.46Å; K66-L71 HydrophobicContact CG-CD2 3.7Å; K66-L71 HydrophobicContact CG-CG 4.02Å
67	I	82.3	Confident	85.8	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.4	169.2	-70.5	178.6	0	0	0	107.7	P13 L21 V24 D69 S70 L72	P13-I67 HydrophobicContact CG-CG2 4.34Å; L21-I67 HydrophobicContact CD2-CD1 3.69Å; L21-I67 HydrophobicContact CG-CD1 3.9Å; V24-I67 HydrophobicContact CB-CD1 4.42Å; V24-I67 HydrophobicContact CB-CG1 4.23Å; V24-I67 HydrophobicContact CG1-CG1 4.45Å; V24-I67 HydrophobicContact CG2-CD1 4.33Å; V24-I67 HydrophobicContact CG2-CG1 3.79Å; I67-D69 VanDerWaalsContact C-N 3.27Å; I67-D69 PolarHBondContact O-N 3.34Å; I67-S70 PolarHBondContact N-O 3.32Å; I67-S70 WeakPolarHBondContact O-CB 3.38Å; I67-S70 PolarHBondContact O-N 3.36Å; I67-S70 VanDerWaalsContact O-N 3.14Å; I67-L72 HydrophobicContact CB-CD2 4.23Å; I67-L72 HydrophobicContact CD1-CD1 3.78Å; I67-L72 HydrophobicContact CD1-CD2 4.26Å; I67-L72 HydrophobicContact CD1-CG 4.49Å; I67-L72 HydrophobicContact CG1-CD1 4Å; I67-L72 HydrophobicContact CG1-CD2 4.31Å; I67-L72 HydrophobicContact CG1-CG 4.38Å
68	N	77.4	Confident	85.1	Confident	109 Å²	109	59.2 Å²	59.2	58%	0.583	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	52.2	-177.2	-50.9	-16.6	0	0	0	110.7	S70	N68-S70 PolarHBondContact O-N 3.5Å
69	D	77.5	Confident	83.8	Confident	155 Å²	155	62.2 Å²	62.2	83%	0.829	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-9.1	-176.7	-51.6	-52.9	0	0	0	117.1	I67	I67-D69 VanDerWaalsContact C-N 3.27Å; I67-D69 PolarHBondContact O-N 3.34Å
70	S	79	Confident	81.7	Confident	45 Å²	45	64.2 Å²	64.2	32%	0.315	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.9	171	-169.1	0	0	0	0	111.7	K66 I67 N68	K66-S70 VanDerWaalsContact CA-O 3.3Å; K66-S70 WeakPolarHBondContact CA-O 3.48Å; I67-S70 PolarHBondContact N-O 3.32Å; I67-S70 WeakPolarHBondContact O-CB 3.38Å; I67-S70 PolarHBondContact O-N 3.36Å; I67-S70 VanDerWaalsContact O-N 3.14Å; N68-S70 PolarHBondContact O-N 3.5Å
71	L	83.3	Confident	79.7	Confident	85 Å²	85	67.3 Å²	67.3	45%	0.445	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.9	172.5	-89.7	164.4	0	0	0	111	E64 K66 K73	E64-L71 HydrophobicContact CB-CD2 4.01Å; E64-L71 HydrophobicContact CG-CD2 4.13Å; K66-L71 HydrophobicContact CD-CD2 4.22Å; K66-L71 HydrophobicContact CD-CG 4.35Å; K66-L71 VanDerWaalsContact CE-CD2 3.46Å; K66-L71 HydrophobicContact CG-CD2 3.7Å; K66-L71 HydrophobicContact CG-CG 4.02Å; L71-K73 PolarHBondContact O-N 3.1Å
72	L	85.9	Confident	77.7	Confident	15 Å²	15	67.6 Å²	67.6	8%	0.079	38%	0.375	C	S	.	.			trans	-75.5	104.9	179.5	-62.3	-171.3	0	0	0	111.2	I9 L12 L21 N65 I67 M74	I9-L72 HydrophobicContact CG2-CB 4.01Å; I9-L72 HydrophobicContact CG2-CD1 4.39Å; I9-L72 HydrophobicContact CG2-CD2 4.2Å; I9-L72 HydrophobicContact CG2-CG 4.45Å; L12-L72 HydrophobicContact CD2-CD2 3.73Å; L21-L72 HydrophobicContact CD2-CD1 4.04Å; N65-L72 HydrophobicContact CB-CB 4.31Å; N65-L72 HydrophobicContact CB-CD1 4.04Å; N65-L72 HydrophobicContact CB-CG 4.4Å; N65-L72 WeakPolarHBondContact O-CB 3.47Å; N65-L72 PolarHBondContact O-N 2.93Å; I67-L72 HydrophobicContact CB-CD2 4.23Å; I67-L72 HydrophobicContact CD1-CD1 3.78Å; I67-L72 HydrophobicContact CD1-CD2 4.26Å; I67-L72 HydrophobicContact CD1-CG 4.49Å; I67-L72 HydrophobicContact CG1-CD1 4Å; I67-L72 HydrophobicContact CG1-CD2 4.31Å; I67-L72 HydrophobicContact CG1-CG 4.38Å; L72-M74 HydrophobicContact CB-CE 3.61Å; L72-M74 HydrophobicContact CB-CG 4.37Å; L72-M74 HydrophobicContact CD1-CE 3.76Å; L72-M74 HydrophobicContact CG-CE 4.35Å; L72-M74 WeakPolarHBondContact O-CG 3.31Å; L72-M74 PolarHBondContact O-N 3.11Å
73	K	84.7	Confident	75.6	Confident	132 Å²	132	68.3 Å²	68.3	57%	0.574	38%	0.384	S	S	*	.			trans	-69.9	116	170.9	-62.4	179	-166.9	163	0	109.6	I9 R10 D11 L71	I9-K73 WeakPolarHBondContact CA-O 3.32Å; R10-K73 PolarHBondContact N-O 3.19Å; D11-K73 WeakPolarHBondContact OD2-CD 3.45Å; D11-K73 WeakPolarHBondContact OD2-CE 3.41Å; D11-K73 IonicContact OD2-NZ 3.93Å; D11-K73 PolarHBondContact OD2-NZ 2.89Å; L71-K73 PolarHBondContact O-N 3.1Å
74	M	89.8	Confident	73.4	Confident	27 Å²	27	69 Å²	69	13%	0.133	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.7	-177.7	-54.3	-160.8	-155.4	0	0	112.7	L7 W8 I9 L25 V60 I61 N65 L72	L7-M74 HydrophobicContact CD1-SD 3.82Å; W8-M74 WeakPolarHBondContact O-CA 3.32Å; I9-M74 HydrophobicContact CB-CG 4.48Å; I9-M74 HydrophobicContact CD1-CE 4.24Å; I9-M74 HydrophobicContact CD1-SD 3.99Å; I9-M74 HydrophobicContact CG1-CG 3.93Å; I9-M74 HydrophobicContact CG1-SD 3.94Å; I9-M74 HydrophobicContact CG2-CG 4.24Å; L25-M74 HydrophobicContact CD2-CE 3.39Å; L25-M74 HydrophobicContact CD2-SD 3.96Å; V60-M74 HydrophobicContact CG1-CE 3.9Å; V60-M74 HydrophobicContact CG1-SD 3.62Å; I61-M74 HydrophobicContact CG1-CB 4.15Å; N65-M74 HydrophobicContact CB-CE 3.53Å; L72-M74 HydrophobicContact CB-CE 3.61Å; L72-M74 HydrophobicContact CB-CG 4.37Å; L72-M74 HydrophobicContact CD1-CE 3.76Å; L72-M74 HydrophobicContact CG-CE 4.35Å; L72-M74 WeakPolarHBondContact O-CG 3.31Å; L72-M74 PolarHBondContact O-N 3.11Å
75	E	89.1	Confident	71	Confident	69 Å²	69	65.1 Å²	65.1	32%	0.322	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.4	175.9	-76.4	-179	-164.4	0	0	111.8	M1 L7 W8 R10 C77	M1-E75 HydrophobicContact CE-CB 4.01Å; M1-E75 HydrophobicContact CE-CG 4.28Å; M1-E75 WeakPolarHBondContact CE-OE2 3.37Å; M1-E75 HydrophobicContact SD-CB 4.07Å; M1-E75 HydrophobicContact SD-CG 4.44Å; L7-E75 CarbonylContact C-O 3.58Å; L7-E75 WeakPolarHBondContact CA-O 3.33Å; W8-E75 PolarHBondContact N-O 2.7Å; W8-E75 PolarHBondContact O-N 2.86Å; R10-E75 IonicContact CZ-OE1 3.95Å; R10-E75 IonicContact CZ-OE2 2.74Å; R10-E75 IonicContact NH1-OE1 3.41Å; R10-E75 PolarHBondContact NH1-OE1 3.27Å; R10-E75 IonicContact NH1-OE2 3.14Å; R10-E75 PolarHBondContact NH1-OE2 3.19Å; R10-E75 IonicContact NH2-OE1 2.65Å; R10-E75 IonicContact NH2-OE2 2.83Å; R10-E75 PolarHBondContact NH2-OE2 3.35Å; E75-C77 PolarHBondContact O-N 3.23Å
76	Y	91.4	Very high	68.5	Low	26 Å²	26	72 Å²	72	10%	0.102	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.9	172.7	-75.1	-66.4	0	0	0	111.3	M1 K2 K3 T4 L7 A57 A58 I61	M1-Y76 HydrophobicContact CB-CD2 4.34Å; M1-Y76 PolarHBondContact SD-N 2.7Å; M1-Y76 VanDerWaalsContact SD-O 3.41Å; K2-Y76 WeakPolarHBondContact O-CB 3.12Å; K3-Y76 HydrophobicContact CB-CE1 4.06Å; K3-Y76 HydrophobicContact CB-CE2 4.06Å; K3-Y76 HydrophobicContact CD-CE2 4.43Å; K3-Y76 WeakPolarHBondContact CD-OH 3.45Å; K3-Y76 HydrophobicContact CG-CE2 3.71Å; K3-Y76 WeakPolarHBondContact CG-OH 3.38Å; T4-Y76 WeakPolarHBondContact O-CD1 3.27Å; T4-Y76 VanDerWaalsContact O-CE1 3.25Å; T4-Y76 WeakPolarHBondContact O-CE1 3.49Å; L7-Y76 HydrophobicContact CD2-CD1 3.62Å; L7-Y76 HydrophobicContact CD2-CE1 3.83Å; L7-Y76 HydrophobicContact CD2-CG 4.4Å; A57-Y76 HydrophobicContact CB-CE1 4.42Å; A58-Y76 VanDerWaalsContact CA-OH 3.25Å; A58-Y76 WeakPolarHBondContact CA-OH 3.26Å; A58-Y76 VanDerWaalsContact CB-OH 3.29Å; A58-Y76 WeakPolarHBondContact CB-OH 3.16Å; I61-Y76 HydrophobicContact CD1-CD2 3.79Å; I61-Y76 HydrophobicContact CD1-CE2 3.88Å; I61-Y76 HydrophobicContact CD1-CG 4.18Å; I61-Y76 HydrophobicContact CG2-CE1 4.31Å; I61-Y76 HydrophobicContact CG2-CE2 3.94Å; I61-Y76 WeakPolarHBondContact CG2-OH 3.45Å
77	C	84.8	Confident	66.1	Low	16 Å²	16	71.5 Å²	71.5	11%	0.108	42%	0.42	C	S	.	.			trans	-89.3	154.3	178	-164.6	0	0	0	0	112.3	T4 F6 W8 E75	T4-C77 WeakPolarHBondContact CB-O 3.45Å; T4-C77 WeakPolarHBondContact CG2-O 3.43Å; T4-C77 PolarHBondContact OG1-O 3.45Å; F6-C77 HydrophobicContact CB-CB 4.16Å; F6-C77 PolarHBondContact O-N 3.13Å; W8-C77 HydrophobicContact CB-CB 4.1Å; E75-C77 PolarHBondContact O-N 3.23Å
78	G	75.7	Confident	63.7	Low	38 Å²	38	77.8 Å²	77.8	39%	0.392	45%	0.453	S	S	.	.			trans	-77.1	148.2	175	0	0	0	0	0	112.5	A80	G78-A80 PolarHBondContact O-N 2.89Å
79	S	63.5	Low	61.7	Low	76 Å²	76	79.6 Å²	79.6	53%	0.531	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.5	-177.2	-51.5	0	0	0	0	114.9	F6	F6-S79 WeakPolarHBondContact CD2-OG 3.49Å; F6-S79 WeakPolarHBondContact CE2-OG 3.44Å
80	A	46.2	Very low	59.7	Low	81 Å²	81	81.2 Å²	81.2	67%	0.669	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-32.6	-176.8	0	0	0	0	0	112.9	G78 T82	G78-A80 PolarHBondContact O-N 2.89Å; A80-T82 VanDerWaalsContact C-N 3.29Å; A80-T82 PolarHBondContact O-N 3.37Å; A80-T82 VanDerWaalsContact O-N 3.17Å
81	D	47.8	Very low	57.4	Low	66 Å²	66	85.8 Å²	85.8	35%	0.353	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-91.5	12.8	-155.9	-53.8	-26.2	0	0	0	113.7	T83 I84	D81-T83 PolarHBondContact O-N 2.94Å; D81-I84 HydrophobicContact CB-CB 4.37Å; D81-I84 HydrophobicContact CB-CD1 3.77Å; D81-I84 HydrophobicContact CB-CG1 4.06Å; D81-I84 PolarHBondContact O-N 2.77Å; D81-I84 WeakPolarHBondContact OD1-CD1 3.49Å
82	T	48.2	Very low	55.2	Low	50 Å²	50	89 Å²	89	31%	0.307	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-71.6	-0.5	179.9	-48.1	0	0	0	0	112.9	R37 A80	R37-T82 VanDerWaalsContact CZ-O 3.27Å; R37-T82 PolarHBondContact NH1-O 3.39Å; R37-T82 PolarHBondContact NH2-O 3.12Å; A80-T82 VanDerWaalsContact C-N 3.29Å; A80-T82 PolarHBondContact O-N 3.37Å; A80-T82 VanDerWaalsContact O-N 3.17Å
83	T	42.5	Very low	52.5	Low	134 Å²	134	94.4 Å²	94.4	82%	0.822	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-113.2	-0.6	170	-41.4	0	0	0	0	112.7	D81 G85	D81-T83 PolarHBondContact O-N 2.94Å; T83-G85 PolarHBondContact O-N 3.1Å
84	I	39.6	Very low	50.1	Low	69 Å²	69	93.3 Å²	93.3	35%	0.354	53%	0.532	S	S	.	.			trans	-78.8	97.1	178.2	-60.1	-173.3	0	0	0	110	D81 I87	D81-I84 HydrophobicContact CB-CB 4.37Å; D81-I84 HydrophobicContact CB-CD1 3.77Å; D81-I84 HydrophobicContact CB-CG1 4.06Å; D81-I84 PolarHBondContact O-N 2.77Å; D81-I84 WeakPolarHBondContact OD1-CD1 3.49Å; I84-I87 HydrophobicContact CD1-CD1 4.27Å; I84-I87 HydrophobicContact CG2-CD1 4.05Å; I84-I87 HydrophobicContact CG2-CG1 3.83Å
85	G	34	Very low	47.4	Very low	60 Å²	60	100.1 Å²	100.1	62%	0.619	56%	0.563	S	S	*	*			trans	-102.6	153.4	137.4	0	0	0	0	0	108.2	T83	T83-G85 PolarHBondContact O-N 3.1Å
86	I	31.8	Very low	44.8	Very low	146 Å²	146	107 Å²	107	75%	0.749	59%	0.587	S	S	*	*			trans	67.3	68.7	-175.4	-37.8	172.6	0	0	0	113.4
87	I	34	Very low	42.1	Very low	97 Å²	97	112.1 Å²	112.1	50%	0.497	62%	0.616	S	S	.	*			trans	-106.5	101.6	130.2	-58.6	173.7	0	0	0	105.4	I84 H89	I84-I87 HydrophobicContact CD1-CD1 4.27Å; I84-I87 HydrophobicContact CG2-CD1 4.05Å; I84-I87 HydrophobicContact CG2-CG1 3.83Å; I87-H89 WeakPolarHBondContact CG2-NE2 3.47Å; I87-H89 PolarHBondContact O-N 3.45Å; I87-H89 VanDerWaalsContact O-N 3.12Å
88	N	32.3	Very low	39.5	Very low	137 Å²	137	118.4 Å²	118.4	73%	0.733	65%	0.648	S	S	*	*			trans	-77	93.9	169	-93.8	5.5	0	0	0	107.8	K90	N88-K90 VanDerWaalsContact C-N 3.28Å; N88-K90 PolarHBondContact O-N 3.18Å
89	H	34.3	Very low	37.6	Very low	147 Å²	147	122.5 Å²	122.5	68%	0.681	67%	0.666	S	S	*	*			trans	-70.2	87.4	166.1	-77	-73.8	0	0	0	109.4	I87	I87-H89 WeakPolarHBondContact CG2-NE2 3.47Å; I87-H89 PolarHBondContact O-N 3.45Å; I87-H89 VanDerWaalsContact O-N 3.12Å
90	K	36.5	Very low	36.1	Very low	190 Å²	190	127 Å²	127	83%	0.826	68%	0.678	S	S	*	*			trans	-122.6	127.2	163.6	-83.1	-158.8	171.2	-168.1	0	111.5	N88	N88-K90 VanDerWaalsContact C-N 3.28Å; N88-K90 PolarHBondContact O-N 3.18Å
91	N	30.6	Very low	35.5	Very low	140 Å²	140	130.3 Å²	130.3	75%	0.749	68%	0.683	S	S	*	*			trans	71.8	109.9	170.4	-154.3	11.5	0	0	0	116.6	N93	N91-N93 PolarHBondContact OD1-N 3.15Å
92	I	36	Very low	34.7	Very low	154 Å²	154	132.6 Å²	132.6	79%	0.79	70%	0.7	S	S	*	*				-146.6	123.7	108.8	-94.8	154.7	0	0	0	107.9
93	N	30.3	Very low	33.8	Very low	127 Å²	127	136.2 Å²	136.2	68%	0.679	72%	0.717	S	S	*	*			trans	41.5	118.4	156.3	-57.3	-0.5	0	0	0	120.6	N91	N91-N93 PolarHBondContact OD1-N 3.15Å
94	S	34.1	Very low	33.3	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	70%	0.697	S	S	*	*				-162.2	116.7	107.1	-83.9	0	0	0	0	114.1
95	H	33.1	Very low	33.3	Very low	170 Å²	170	135.3 Å²	135.3	79%	0.787	71%	0.705	S	S	*	*			trans	58.9	130	141.2	-69.8	-71.8	0	0	0	124.3
96	R	33.9	Very low	33.4	Very low	214 Å²	214	134.8 Å²	134.8	81%	0.808	69%	0.691	S	S	*	*			trans	87.8	116	140.2	-76.8	174.5	173.4	165.7	-1.9	120.4
97	N	34.6	Very low	33.2	Very low	134 Å²	134	132 Å²	132	72%	0.717	68%	0.681	S	S	*	*			trans	69.1	110.7	136.6	-54.4	11.6	0	0	0	116.3
98	N	30.7	Very low	32.9	Very low	148 Å²	148	135.1 Å²	135.1	79%	0.791	69%	0.691	S	S	*	*				93.6	150.6	64.6	-90.4	27.2	0	0	0	112.3
99	T	36.6	Very low	32.6	Very low	124 Å²	124	135 Å²	135	76%	0.761	69%	0.69	S	S	*	*			trans	59.4	115.3	-172	53.2	0	0	0	0	113.8
100	E	30.6	Very low	32.2	Very low	170 Å²	170	134.3 Å²	134.3	79%	0.794	69%	0.692	S	S	*	*			cis	98.4	150.8	44.8	-81.3	-171.2	119.6	0	0	113.1
101	I	35.2	Very low	31.8	Very low	150 Å²	150	129.8 Å²	129.8	77%	0.769	68%	0.684	S	S	*	*			trans	65.5	98.6	173.8	-57.2	147.7	0	0	0	112.8
102	T	29.3	Very low	31.7	Very low	115 Å²	115	129.4 Å²	129.4	71%	0.706	68%	0.682	S	S	*	*				72.5	137.8	50.3	-50.9	0	0	0	0	113.2
103	N	30.3	Very low	31.4	Very low	126 Å²	126	129 Å²	129	67%	0.674	68%	0.677	S	S	*	*			trans	77	142.6	176.6	-68.1	-25.5	0	0	0	116.9
104	Q	31.1	Very low	31.2	Very low	82 Å²	82	128.8 Å²	128.8	38%	0.383	68%	0.675	S	S	.	*			cis	-155.4	-177.1	9	-133.6	170.6	67.9	0	0	116.3	T1127 S1128	Q104-T1127 CarbonylContact C-O 3.53Å; Q104-T1127 VanDerWaalsContact C-O 3.26Å; Q104-T1127 WeakPolarHBondContact CB-OG1 3.33Å; Q104-T1127 CarbonylContact O-C 3.34Å; Q104-T1127 VanDerWaalsContact O-O 3.11Å; Q104-S1128 PolarHBondContact O-N 3.12Å
105	L	41.2	Very low	31	Very low	101 Å²	101	130.5 Å²	130.5	53%	0.529	68%	0.676	S	S	.	*			trans	-149	127.3	166.5	168.7	71.5	0	0	0	105.9	T1127	L105-T1127 WeakPolarHBondContact CA-O 3.39Å; L105-T1127 PolarHBondContact N-O 2.83Å
106	P	34.2	Very low	31	Very low	50 Å²	50	127.4 Å²	127.4	33%	0.325	67%	0.673	S	S	.	*				-107.5	-140.5	66.2	9	13.8	0	0	0	110.8	F108 T1127 S1128	P106-F108 HydrophobicContact CB-CE2 4.24Å; P106-F108 HydrophobicContact CB-CZ 4.43Å; P106-T1127 VanDerWaalsContact O-O 3.08Å; P106-S1128 WeakPolarHBondContact O-CA 3.41Å; P106-S1128 WeakPolarHBondContact O-CB 3.13Å; P106-S1128 PolarHBondContact O-OG 3.37Å
107	T	28.7	Very low	30.8	Very low	87 Å²	87	122.9 Å²	122.9	53%	0.534	67%	0.665	S	S	.	*			cis	-151.5	117.6	5.5	-48.6	0	0	0	0	104.9
108	F	26.9	Very low	30.8	Very low	163 Å²	163	121.7 Å²	121.7	72%	0.715	65%	0.65	S	S	*	*				54.4	131.5	88.1	-45.3	179.9	0	0	0	112.5	P106	P106-F108 HydrophobicContact CB-CE2 4.24Å; P106-F108 HydrophobicContact CB-CZ 4.43Å
109	N	27.2	Very low	30.9	Very low	134 Å²	134	122.4 Å²	122.4	72%	0.717	65%	0.646	S	S	*	*				-148.5	146.5	66	-86.3	-41.8	0	0	0	111.2
110	N	25.7	Very low	30.6	Very low	133 Å²	133	119 Å²	119	71%	0.711	63%	0.626	S	S	*	*			cis	82.7	136.7	42.8	-171.2	26.1	0	0	0	112
111	S	28.1	Very low	30.7	Very low	95 Å²	95	116 Å²	116	66%	0.664	61%	0.612	S	S	*	*			trans	62.2	159.5	-166	91.4	0	0	0	0	113.3
112	N	27.5	Very low	30.4	Very low	132 Å²	132	114.6 Å²	114.6	71%	0.706	60%	0.6	S	S	*	*			cis	-160.9	173.3	-28.6	-113.5	-12.1	0	0	0	108.6
113	H	30.2	Very low	30.6	Very low	146 Å²	146	115.8 Å²	115.8	68%	0.676	60%	0.597	S	S	*	*			trans	53.2	124.2	147.4	-79.9	-57.6	0	0	0	122.1
114	N	27.1	Very low	30.6	Very low	121 Å²	121	117 Å²	117	65%	0.647	60%	0.603	S	S	*	*			trans	79.1	113.9	130.9	-56.2	-6.9	0	0	0	120.8
115	N	28.1	Very low	30.4	Very low	146 Å²	146	119 Å²	119	78%	0.781	62%	0.617	S	S	*	*				77.3	134.4	126.6	-63.4	-15.5	0	0	0	122.7
116	S	33.7	Very low	29.9	Very low	104 Å²	104	118.6 Å²	118.6	73%	0.727	62%	0.618	S	S	*	*			trans	93.1	95.5	141.4	-62.8	0	0	0	0	121
117	D	30.8	Very low	29.6	Very low	119 Å²	119	122.8 Å²	122.8	64%	0.636	64%	0.638	S	S	*	*				19.8	137.1	94.5	-94.4	-9.7	0	0	0	116.3
118	R	33.8	Very low	29.7	Very low	109 Å²	109	124.6 Å²	124.6	41%	0.411	65%	0.649	S	S	.	*			cis	-167.6	164.7	26.7	-101.1	161.5	-128.9	137.6	-0.3	107.7	S819 S1110	R118-S819 VanDerWaalsContact NH1-C 3.27Å; R118-S819 PolarHBondContact NH1-O 2.91Å; R118-S819 PolarHBondContact NH2-O 2.84Å; R118-S1110 PolarHBondContact NH1-OG 2.83Å
119	K	32.1	Very low	29.8	Very low	163 Å²	163	122.8 Å²	122.8	71%	0.709	65%	0.646	S	S	*	*			cis	70	119.1	46.2	-156.9	-173.5	-178.5	-179.5	0	115.7
120	T	32	Very low	30.1	Very low	53 Å²	53	124 Å²	124	33%	0.325	65%	0.648	S	S	.	*			trans	157.2	136.9	131.1	37.5	0	0	0	0	109.9	S822	T120-S822 WeakPolarHBondContact OG1-CA 3.49Å; T120-S822 VanDerWaalsContact OG1-CB 3.3Å; T120-S822 WeakPolarHBondContact OG1-CB 3.33Å
121	E	31	Very low	30.5	Very low	108 Å²	108	127 Å²	127	51%	0.505	65%	0.654	S	S	.	*				50.8	136.3	82.4	-50.1	179	-133.3	0	0	113	N823	E121-N823 PolarHBondContact O-OD1 3.32Å; E121-N823 VanDerWaalsContact O-OD1 3.1Å
122	K	30.2	Very low	30.8	Very low	120 Å²	120	126 Å²	126	52%	0.522	66%	0.659	S	S	.	*			cis	-162.3	-172.8	37	-149.5	156.3	-174.8	59.7	0	115.6	N823	K122-N823 PolarHBondContact N-OD1 3.49Å
123	E	33.5	Very low	31.3	Very low	139 Å²	139	125 Å²	125	65%	0.65	66%	0.662	S	S	*	*			trans	-63.1	-171.9	-177.8	-57.8	145.3	93.6	0	0	116.1
124	L	30.4	Very low	31.7	Very low	152 Å²	152	124.2 Å²	124.2	80%	0.796	66%	0.663	S	S	*	*			trans	80.5	152.9	178.9	-46.8	168.9	0	0	0	113.1
125	N	27.1	Very low	32.3	Very low	125 Å²	125	124.8 Å²	124.8	67%	0.668	67%	0.666	S	S	*	*			cis	-167	162	-11.3	-112.4	22.6	0	0	0	107.7
126	T	29.6	Very low	32.8	Very low	91 Å²	91	122.1 Å²	122.1	56%	0.558	66%	0.659	S	S	*	*			cis	-170.1	152.8	-22	17.4	0	0	0	0	109.3
127	N	27.6	Very low	33	Very low	138 Å²	138	124.6 Å²	124.6	74%	0.738	66%	0.659	S	S	*	*			trans	67.1	161.1	158.1	-55	-15.1	0	0	0	119.6
128	T	30.3	Very low	33.1	Very low	125 Å²	125	127 Å²	127	77%	0.767	67%	0.666	S	S	*	*			trans	61.8	142	150.6	42.3	0	0	0	0	120
129	L	29.8	Very low	33	Very low	126 Å²	126	126.6 Å²	126.6	66%	0.66	68%	0.68	S	S	*	*			cis	-168.5	152.2	-17.8	-158.2	62	0	0	0	109.3
130	H	33.2	Very low	32.9	Very low	160 Å²	160	126.5 Å²	126.5	74%	0.741	69%	0.686	S	S	*	*			trans	64	158.8	162.8	-65.8	-30.3	0	0	0	119.4
131	K	33.6	Very low	33.2	Very low	194 Å²	194	128.7 Å²	128.7	84%	0.843	70%	0.701	S	S	*	*			cis	-169.4	122.3	-26.9	175.6	179.3	-178.8	-175	0	110.3
132	G	35.2	Very low	33.2	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	71%	0.711	S	S	*	*			trans	77.5	162.8	170.6	0	0	0	0	0	116.2
133	S	39	Very low	33.5	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	72%	0.719	S	S	*	*			cis	-161.5	162.3	-17.9	-149	0	0	0	0	111.6
134	N	38.2	Very low	33.5	Very low	130 Å²	130	129.6 Å²	129.6	70%	0.695	72%	0.72	S	S	*	*			trans	70.9	110.9	160.5	-58.7	18.9	0	0	0	120.3
135	D	38.8	Very low	33.6	Very low	133 Å²	133	130.9 Å²	130.9	71%	0.711	72%	0.722	S	S	*	*				71.6	88	121.5	-52.7	-36.7	0	0	0	123.9
136	S	38.1	Very low	33.8	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	73%	0.73	S	S	*	*				107.2	141.1	99.5	80.7	0	0	0	0	120.9
137	H	38.3	Very low	33.8	Very low	156 Å²	156	132.1 Å²	132.1	72%	0.722	74%	0.743	S	S	*	*			trans	50.7	135	156.2	-53.8	-52.7	0	0	0	120.9
138	H	34.4	Very low	34	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.787	76%	0.755	S	S	*	*			cis	-159.3	119.2	-14.1	-127.3	-40.3	0	0	0	109
139	S	29.6	Very low	34.1	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	76%	0.755	S	S	*	*			trans	-156.1	126	-170.5	54.7	0	0	0	0	116.6
140	L	31.6	Very low	34.4	Very low	162 Å²	162	135.4 Å²	135.4	85%	0.848	76%	0.762	S	S	*	*			trans	70.2	-178.3	133.8	-54	176	0	0	0	117
141	P	37	Very low	34.3	Very low	99 Å²	99	134.5 Å²	134.5	64%	0.643	76%	0.762	S	S	*	*				-143.8	-170.2	-97.3	42.6	-20.9	0	0	0	116.7
142	N	31.8	Very low	34.4	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	76%	0.764	S	S	*	*			trans	47.5	118.5	140.6	-72.6	6.9	0	0	0	121
143	N	36.6	Very low	34.2	Very low	128 Å²	128	137.8 Å²	137.8	68%	0.684	76%	0.762	S	S	*	*				74.8	147.6	88.8	-71.1	37.3	0	0	0	114.6
144	D	33.1	Very low	33.8	Very low	125 Å²	125	140.4 Å²	140.4	67%	0.668	76%	0.759	S	S	*	*			cis	-160	118.4	-3.1	-108.5	-31.8	0	0	0	109.8
145	Q	32.1	Very low	33.6	Very low	180 Å²	180	145.5 Å²	145.5	84%	0.841	77%	0.769	S	S	*	*			trans	173	148.6	146.1	-101.9	164.8	96.4	0	0	115.9
146	L	31	Very low	33.4	Very low	160 Å²	160	144.2 Å²	144.2	84%	0.838	77%	0.766	S	S	*	*			trans	34	115.7	144.7	-61	167.1	0	0	0	120.7
147	G	30.4	Very low	33.3	Very low	82 Å²	82	145.5 Å²	145.5	85%	0.845	77%	0.77	S	S	*	*			trans	-179.4	72.2	167.8	0	0	0	0	0	118.7
148	R	32.6	Very low	33.1	Very low	257 Å²	257	144 Å²	144	97%	0.97	77%	0.767	S	S	*	*			trans	-16	133.4	172.6	-64.4	178.2	171	-159.3	-1.5	120.1
149	G	32.1	Very low	33.2	Very low	75 Å²	75	141.4 Å²	141.4	77%	0.773	76%	0.759	S	S	*	*			trans	108.8	168.7	156.6	0	0	0	0	0	114.9
150	P	36.6	Very low	33.3	Very low	126 Å²	126	143.1 Å²	143.1	82%	0.818	76%	0.761	S	S	*	*			cis	-121.6	-154.6	6.2	43.3	-29.5	0	0	0	113.9
151	L	29.7	Very low	33.5	Very low	141 Å²	141	141.2 Å²	141.2	74%	0.738	76%	0.756	S	S	*	*			trans	-72.2	163.3	178.6	-51	82.1	0	0	0	113
152	I	35.8	Very low	33.5	Very low	172 Å²	172	141.8 Å²	141.8	88%	0.882	76%	0.762	S	S	*	*			trans	-161.9	164.7	134.4	-109.4	159.7	0	0	0	114.4
153	F	32.2	Very low	33.7	Very low	167 Å²	167	141 Å²	141	73%	0.732	77%	0.767	S	S	*	*			trans	-94.1	136.9	-156.6	-92.6	-118.8	0	0	0	117.2
154	K	30.8	Very low	33.6	Very low	164 Å²	164	142 Å²	142	71%	0.713	77%	0.773	S	S	*	*				42.8	101.2	116.1	-170.7	-169.4	-178.3	-177.7	0	119.7
155	R	33.7	Very low	33.8	Very low	236 Å²	236	144.1 Å²	144.1	89%	0.891	78%	0.783	S	S	*	*				-177.6	146.7	125.1	-99	167.1	-90.1	-158.2	-1.1	109.4
156	T	34.6	Very low	34	Very low	106 Å²	106	141.3 Å²	141.3	65%	0.65	78%	0.778	S	S	*	*			cis	125.6	139.3	-1.6	-72.9	0	0	0	0	110.8
157	T	35.7	Very low	34.3	Very low	119 Å²	119	140 Å²	140	73%	0.73	77%	0.771	S	S	*	*			trans	67.7	150.3	169.6	45.2	0	0	0	0	118.1
158	N	33.2	Very low	34.5	Very low	124 Å²	124	142 Å²	142	66%	0.663	76%	0.763	S	S	*	*			cis	-152.1	168.7	3	-135.6	-6.8	0	0	0	116.6
159	N	36.7	Very low	34.8	Very low	115 Å²	115	136 Å²	136	62%	0.615	75%	0.754	S	S	*	*			trans	67	116	157.7	-62.1	-18.6	0	0	0	118.2
160	N	32.4	Very low	35	Very low	136 Å²	136	138.8 Å²	138.8	73%	0.727	75%	0.747	S	S	*	*				91.8	143.4	57.9	-69.1	-18.8	0	0	0	111.2
161	T	36.6	Very low	34.8	Very low	122 Å²	122	138.3 Å²	138.3	75%	0.748	74%	0.736	S	S	*	*			cis	-155.8	133.8	43.1	-61.2	0	0	0	0	114.2
162	S	36.2	Very low	34.9	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	75%	0.745	S	S	*	*			trans	54.6	152.7	155.5	68	0	0	0	0	121.5
163	S	35.1	Very low	35	Very low	114 Å²	114	139 Å²	139	80%	0.797	74%	0.741	S	S	*	*			cis	-151.4	167.4	-3.1	30.4	0	0	0	0	111.1
164	N	34.2	Very low	35.1	Very low	151 Å²	151	138 Å²	138	81%	0.807	74%	0.738	S	S	*	*			trans	-100	159.1	-171.7	-51.3	-82	0	0	0	113.6
165	L	37.3	Very low	35.3	Very low	169 Å²	169	136.3 Å²	136.3	89%	0.885	74%	0.742	S	S	*	*			trans	-156.2	154.2	136	-108.4	151.1	0	0	0	110.8
166	V	37.7	Very low	35.6	Very low	120 Å²	120	132.5 Å²	132.5	73%	0.727	74%	0.738	S	S	*	*			trans	-150	172.4	-168.5	-68.9	0	0	0	0	108.3
167	N	36.9	Very low	35.8	Very low	132 Å²	132	139 Å²	139	71%	0.706	75%	0.751	S	S	*	*			cis	-152.5	-160.4	21.4	-153.8	11.5	0	0	0	108.1
168	N	35.1	Very low	35.8	Very low	126 Å²	126	139 Å²	139	67%	0.674	75%	0.753	S	S	*	*			cis	-160.7	-162.3	6	-160.9	-5.4	0	0	0	109.6
169	V	37.8	Very low	36.2	Very low	129 Å²	129	139.6 Å²	139.6	78%	0.782	76%	0.76	S	S	*	*			trans	85.4	110	161.1	-172.2	0	0	0	0	117.7
170	Q	36.4	Very low	36.2	Very low	134 Å²	134	143 Å²	143	63%	0.626	77%	0.772	S	S	*	*			trans	-93.8	168.1	170.5	-63.4	178	-46.5	0	0	109.6
171	M	31.9	Very low	36.3	Very low	117 Å²	117	141 Å²	141	58%	0.576	77%	0.77	S	S	*	*			cis	-166.1	119.4	-16.6	-115.8	-160.2	-114.2	0	0	106
172	F	32.3	Very low	36.2	Very low	213 Å²	213	140.5 Å²	140.5	93%	0.934	77%	0.771	S	S	*	*			trans	-162.8	71.8	161.1	-110.7	-67.7	0	0	0	113.2
173	S	37.3	Very low	36.2	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	77%	0.767	S	S	*	*			trans	-162.7	109.4	163.2	-177.3	0	0	0	0	111
174	Q	35.1	Very low	35.9	Very low	147 Å²	147	142.2 Å²	142.2	69%	0.687	77%	0.766	S	S	*	*			trans	-140.3	89.4	171.4	-72.6	-165.8	-42.4	0	0	110.9
175	V	36	Very low	35.9	Very low	129 Å²	129	139.8 Å²	139.8	78%	0.782	76%	0.756	S	S	*	*	S	Bend	trans	174.8	146.2	138.7	148.8	0	0	0	0	107.8
176	L	39.7	Very low	35.8	Very low	156 Å²	156	137.2 Å²	137.2	82%	0.817	75%	0.748	S	S	*	*			trans	74.7	79	-171.2	-50.6	-178.3	0	0	0	116.4
177	R	38.6	Very low	35.9	Very low	243 Å²	243	142.5 Å²	142.5	92%	0.917	76%	0.755	S	S	*	*			trans	-83.1	132.6	149.1	-67.8	-177.5	-174.1	155.1	-0.2	109.1
178	P	34.6	Very low	35.9	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	75%	0.753	S	S	*	*			trans	-71.3	139.9	163.9	-12.7	28.5	0	0	0	110.3	Q180	P178-Q180 PolarHBondContact O-N 2.72Å
179	V	41.5	Very low	36.5	Very low	136 Å²	136	137.5 Å²	137.5	82%	0.824	73%	0.727	S	S	*	*			trans	-83.6	104.2	167.5	178.2	0	0	0	0	108.2
180	Q	36.4	Very low	37.4	Very low	186 Å²	186	138.1 Å²	138.1	87%	0.869	73%	0.726	S	S	*	*			trans	-74.6	121.2	166.8	-72.1	-179.3	-23.1	0	0	109.4	P178	P178-Q180 PolarHBondContact O-N 2.72Å
181	S	35.8	Very low	38.9	Very low	96 Å²	96	136 Å²	136	67%	0.671	73%	0.726	S	S	*	*			trans	-158.1	86.5	166	-75.2	0	0	0	0	110.3
182	S	33.5	Very low	41.3	Very low	111 Å²	111	134.9 Å²	134.9	78%	0.776	72%	0.716	S	S	*	*			trans	17.8	101.6	144.2	40	0	0	0	0	119
183	T	35.9	Very low	44.1	Very low	112 Å²	112	128.8 Å²	128.8	69%	0.687	69%	0.686	S	S	*	*				177.6	89.4	128.7	23.8	0	0	0	0	110.8	T185	T183-T185 VanDerWaalsContact C-N 3.28Å; T183-T185 PolarHBondContact O-N 2.71Å
184	L	30.9	Very low	46.7	Very low	148 Å²	148	123.4 Å²	123.4	78%	0.775	65%	0.649	S	S	*	*			trans	-93.8	53.8	175.9	-89.8	140.9	0	0	0	112.2	T567	L184-T567 HydrophobicContact CD1-CG2 3.55Å; L184-T567 HydrophobicContact CD2-CG2 3.91Å; L184-T567 HydrophobicContact CG-CG2 4.3Å
185	T	33	Very low	49.4	Very low	100 Å²	100	116.4 Å²	116.4	61%	0.613	62%	0.616	S	S	*	*	S	Bend	trans	-155.9	143.5	162	41.3	0	0	0	0	106.7	T183	T183-T185 VanDerWaalsContact C-N 3.28Å; T183-T185 PolarHBondContact O-N 2.71Å
186	T	36.3	Very low	52.1	Low	115 Å²	115	113.8 Å²	113.8	71%	0.706	59%	0.594	S	S	*	*	S	Bend	trans	66.3	69.1	173.3	-38.8	0	0	0	0	115.8
187	R	38	Very low	54.6	Low	232 Å²	232	106.3 Å²	106.3	88%	0.875	56%	0.555	S	S	*	*			trans	-145.4	13.7	161	-123.4	179.9	-163	-123.2	2.7	116.7
188	M	38.1	Very low	57	Low	136 Å²	136	95.8 Å²	95.8	67%	0.67	52%	0.519	S	S	*	.	S	Bend	trans	-86.9	-13	168.4	-69.8	176.1	57.3	0	0	112.6	N190	M188-N190 VanDerWaalsContact C-N 3.3Å; M188-N190 PolarHBondContact O-N 3.28Å; M188-N190 VanDerWaalsContact O-N 3.12Å
189	S	48.3	Very low	59.5	Low	16 Å²	16	92.8 Å²	92.8	11%	0.112	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	20.2	-161.7	61.8	0	0	0	0	116.1	A251 E255	S189-A251 WeakPolarHBondContact O-CB 3.48Å; S189-E255 WeakPolarHBondContact CB-OE2 3.47Å
190	N	55.4	Low	61.7	Low	143 Å²	143	86.7 Å²	86.7	77%	0.765	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-20.1	-176.9	-87.2	65.6	0	0	0	114.5	M188	M188-N190 VanDerWaalsContact C-N 3.3Å; M188-N190 PolarHBondContact O-N 3.28Å; M188-N190 VanDerWaalsContact O-N 3.12Å
191	S	68.8	Low	64	Low	89 Å²	89	78 Å²	78	62%	0.622	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-28.7	180	-60.5	0	0	0	0	113.3	R193 P279	S191-R193 PolarHBondContact O-N 2.9Å; S191-P279 VanDerWaalsContact O-CA 3.24Å; S191-P279 WeakPolarHBondContact O-CA 3.42Å
192	Y	82.2	Confident	66.2	Low	94 Å²	94	76.3 Å²	76.3	37%	0.369	41%	0.405	S	S	.	.			trans	-94.3	91.9	-175.2	-58.6	-77.6	0	0	0	111	A251 L277 H278	Y192-A251 WeakPolarHBondContact O-CA 3.46Å; Y192-A251 VanDerWaalsContact O-CB 3.27Å; Y192-A251 WeakPolarHBondContact O-CB 3.42Å; Y192-L277 HydrophobicContact CD1-CB 3.77Å; Y192-L277 WeakPolarHBondContact CD1-O 3.4Å; Y192-L277 HydrophobicContact CE1-CB 4.43Å; Y192-L277 HydrophobicContact CG-CB 3.91Å; Y192-H278 CarbonylContact C-O 3.59Å; Y192-H278 WeakPolarHBondContact CA-O 3.5Å
193	R	89.8	Confident	68.5	Low	84 Å²	84	75.1 Å²	75.1	32%	0.317	40%	0.395	S	S	.	.			trans	-94.1	3	179.8	-143.1	-158.4	-169.8	179.4	11.1	114	S191 F248 R249 H278 P279	S191-R193 PolarHBondContact O-N 2.9Å; R193-F248 WeakPolarHBondContact CD-O 3.39Å; R193-F248 WeakPolarHBondContact CG-O 3.2Å; R193-F248 PolarHBondContact NE-O 2.82Å; R193-F248 VanDerWaalsContact NE-O 3.15Å; R193-F248 PolarHBondContact O-N 2.94Å; R193-R249 VanDerWaalsContact CZ-O 3.3Å; R193-R249 PolarHBondContact NE-O 2.99Å; R193-R249 VanDerWaalsContact NE-O 3.16Å; R193-R249 PolarHBondContact NH2-O 3.33Å; R193-H278 PolarHBondContact N-O 2.86Å; R193-P279 WeakPolarHBondContact CB-O 3.46Å; R193-P279 PolarHBondContact N-O 3.37Å
194	G	92.1	Very high	70.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	-177.8	180	0	0	0	0	0	114.3	V246 H278	G194-V246 CarbonylContact C-O 3.51Å; G194-V246 WeakPolarHBondContact CA-O 3.42Å; G194-H278 CarbonylContact C-O 3.58Å; G194-H278 PolarHBondContact N-O 3.46Å; G194-H278 PolarHBondContact O-N 3.05Å; G194-H278 VanDerWaalsContact O-O 3.06Å
195	L	93.2	Very high	73	Confident	0 Å²	0	76 Å²	76	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.1	171.8	-60	178.8	0	0	0	109.5	I197 F219 I245 V246 F248 A257 Y258 V275 E276 L277	L195-I197 HydrophobicContact CB-CG1 4.39Å; L195-F219 HydrophobicContact CD1-CD1 3.99Å; L195-F219 HydrophobicContact CD1-CE1 3.37Å; L195-F219 HydrophobicContact CD1-CZ 3.88Å; L195-I245 CarbonylContact O-C 3.51Å; L195-I245 VanDerWaalsContact O-CA 3.27Å; L195-I245 WeakPolarHBondContact O-CA 3.45Å; L195-V246 PolarHBondContact N-O 3.06Å; L195-V246 PolarHBondContact O-N 2.87Å; L195-F248 HydrophobicContact CD1-CE2 4.04Å; L195-F248 HydrophobicContact CD1-CZ 4.47Å; L195-F248 HydrophobicContact CG-CE2 4.03Å; L195-A257 HydrophobicContact CD1-CB 3.65Å; L195-Y258 HydrophobicContact CD2-CD2 4.06Å; L195-Y258 HydrophobicContact CD2-CG 4.41Å; L195-V275 HydrophobicContact CB-CG1 4.17Å; L195-V275 HydrophobicContact CD1-CG1 4.1Å; L195-V275 HydrophobicContact CD2-CG1 4.13Å; L195-V275 HydrophobicContact CG-CG1 4.37Å; L195-E276 CarbonylContact C-O 3.52Å; L195-E276 WeakPolarHBondContact CA-O 3.35Å; L195-L277 HydrophobicContact CD2-CD2 3.95Å
196	K	92.2	Very high	75.4	Confident	74 Å²	74	72.9 Å²	72.9	32%	0.322	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.1	163.9	169.1	-174.3	154.7	-147.6	0	106.9	L243 A244 V275 E276 H278	K196-L243 HydrophobicContact CD-CD2 4.49Å; K196-L243 HydrophobicContact CG-CD2 4.12Å; K196-A244 CarbonylContact C-O 3.56Å; K196-A244 WeakPolarHBondContact CA-O 3.49Å; K196-V275 WeakPolarHBondContact O-CA 3.25Å; K196-E276 HydrophobicContact CB-CB 4.44Å; K196-E276 WeakPolarHBondContact CD-OE2 3.34Å; K196-E276 PolarHBondContact N-O 2.86Å; K196-E276 IonicContact NZ-OE2 3.45Å; K196-E276 PolarHBondContact NZ-OE2 2.66Å; K196-E276 PolarHBondContact O-N 3Å; K196-H278 HydrophobicContact CB-CB 4.11Å
197	I	92	Very high	77.9	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.7	-175.4	-52.4	166.1	0	0	0	106.8	L195 L200 L215 F219 L243 A244 V246 V273 S274 V275	L195-I197 HydrophobicContact CB-CG1 4.39Å; I197-L200 HydrophobicContact CB-CD1 4.29Å; I197-L200 HydrophobicContact CG2-CD1 4.04Å; I197-L200 HydrophobicContact CG2-CD2 3.79Å; I197-L200 HydrophobicContact CG2-CG 3.9Å; I197-L215 HydrophobicContact CD1-CD2 3.71Å; I197-F219 HydrophobicContact CD1-CD2 4.37Å; I197-F219 HydrophobicContact CD1-CE2 3.32Å; I197-F219 HydrophobicContact CD1-CZ 3.56Å; I197-L243 CarbonylContact O-C 3.6Å; I197-L243 VanDerWaalsContact O-CA 3.31Å; I197-L243 WeakPolarHBondContact O-CA 3.22Å; I197-A244 PolarHBondContact N-O 2.79Å; I197-A244 PolarHBondContact O-N 3.21Å; I197-V246 HydrophobicContact CD1-CG2 3.78Å; I197-V273 HydrophobicContact CG2-CB 3.98Å; I197-V273 HydrophobicContact CG2-CG1 4.25Å; I197-V273 HydrophobicContact CG2-CG2 4.36Å; I197-S274 WeakPolarHBondContact CA-O 3.37Å; I197-V275 HydrophobicContact CG1-CG1 4.28Å; I197-V275 HydrophobicContact CG1-CG2 4.21Å; I197-V275 HydrophobicContact CG2-CG2 4.17Å
198	S	89.8	Confident	80.4	Confident	22 Å²	22	62 Å²	62	15%	0.154	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	176.8	171.3	54.2	0	0	0	0	110.8	L200 R242 V273 S274	S198-L200 PolarHBondContact O-N 3.33Å; S198-R242 CarbonylContact C-O 3.59Å; S198-R242 WeakPolarHBondContact CA-O 3.24Å; S198-V273 WeakPolarHBondContact O-CB 3.42Å; S198-S274 PolarHBondContact N-O 2.93Å; S198-S274 WeakPolarHBondContact OG-CB 3.29Å
199	D	86.9	Confident	82.8	Confident	55 Å²	55	58.8 Å²	58.8	29%	0.294	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68	26.1	168.1	-34.9	-55.6	0	0	0	112.9	T241 R242 S274	D199-T241 PolarHBondContact N-OG1 2.91Å; D199-T241 WeakPolarHBondContact OD1-CB 3.37Å; D199-T241 WeakPolarHBondContact OD1-CG2 3.45Å; D199-T241 PolarHBondContact OD1-OG1 2.83Å; D199-R242 PolarHBondContact N-O 2.95Å; D199-S274 WeakPolarHBondContact OD2-CB 3.2Å; D199-S274 PolarHBondContact OD2-N 3.1Å
200	L	87.6	Confident	84.9	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.037	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	155.8	176	-68.3	165.8	0	0	0	112.1	I197 S198 L211 L215 R242 A244 F269 V273	I197-L200 HydrophobicContact CB-CD1 4.29Å; I197-L200 HydrophobicContact CG2-CD1 4.04Å; I197-L200 HydrophobicContact CG2-CD2 3.79Å; I197-L200 HydrophobicContact CG2-CG 3.9Å; S198-L200 PolarHBondContact O-N 3.33Å; L200-L211 HydrophobicContact CB-CD1 4.42Å; L200-L211 HydrophobicContact CB-CD2 4.18Å; L200-L211 HydrophobicContact CD1-CD1 4.32Å; L200-L211 HydrophobicContact CD1-CD2 4.34Å; L200-L211 HydrophobicContact CD2-CD1 4.04Å; L200-L215 HydrophobicContact CD1-CD1 4.27Å; L200-L215 HydrophobicContact CD2-CD2 4.36Å; L200-R242 HydrophobicContact CB-CB 3.87Å; L200-A244 HydrophobicContact CD1-CB 3.5Å; L200-A244 VanDerWaalsContact CD1-CB 3.5Å; L200-F269 HydrophobicContact CD2-CD2 4.11Å; L200-F269 HydrophobicContact CD2-CE2 3.99Å; L200-V273 HydrophobicContact CD2-CG1 3.74Å; L200-V273 HydrophobicContact CG-CG1 4.34Å
201	P	84.8	Confident	86.6	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.032	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-56.8	139.8	-173.9	-23.2	30.6	0	0	0	113.6	K205 L206 R242 F269 T271	P201-K205 HydrophobicContact CB-CB 4.21Å; P201-L206 HydrophobicContact CB-CB 4.1Å; P201-R242 WeakPolarHBondContact O-CD 3.44Å; P201-R242 PolarHBondContact O-NE 3.29Å; P201-F269 HydrophobicContact CG-CB 3.79Å; P201-F269 HydrophobicContact CG-CD2 4.39Å; P201-T271 HydrophobicContact CB-CG2 4.34Å; P201-T271 WeakPolarHBondContact CD-OG1 3.41Å; P201-T271 HydrophobicContact CG-CG2 3.94Å; P201-T271 WeakPolarHBondContact CG-OG1 3.45Å
202	P	82.2	Confident	87.8	Confident	59 Å²	59	58 Å²	58	38%	0.383	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-61.1	159.8	179.6	26.7	-35.7	0	0	0	112.2	S204 K205 L206	P202-S204 PolarHBondContact O-N 2.86Å; P202-S204 VanDerWaalsContact O-N 3.11Å; P202-K205 HydrophobicContact CG-CB 4.37Å; P202-K205 HydrophobicContact CG-CD 4.36Å; P202-K205 HydrophobicContact CG-CG 4.21Å; P202-K205 PolarHBondContact O-N 3.47Å; P202-L206 PolarHBondContact O-N 3.2Å; P202-L206 VanDerWaalsContact O-N 3.12Å
203	P	81.7	Confident	88.3	Confident	87 Å²	87	59 Å²	59	57%	0.565	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.7	-176.4	22	-32.7	0	0	0	114.5	K205 R242	P203-K205 VanDerWaalsContact C-N 3.3Å; P203-K205 PolarHBondContact O-N 3.46Å; P203-R242 VanDerWaalsContact CA-NH1 3.29Å
204	S	79.2	Confident	88.4	Confident	113 Å²	113	56.5 Å²	56.5	79%	0.79	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.1	172.6	49.8	0	0	0	0	114.6	P202	P202-S204 PolarHBondContact O-N 2.86Å; P202-S204 VanDerWaalsContact O-N 3.11Å
205	K	81.1	Confident	88.5	Confident	166 Å²	166	56.5 Å²	56.5	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-33.8	178.4	-71.3	-169.1	175.9	-174.3	0	113.6	P201 P202 P203	P201-K205 HydrophobicContact CB-CB 4.21Å; P202-K205 HydrophobicContact CG-CB 4.37Å; P202-K205 HydrophobicContact CG-CD 4.36Å; P202-K205 HydrophobicContact CG-CG 4.21Å; P202-K205 PolarHBondContact O-N 3.47Å; P203-K205 VanDerWaalsContact C-N 3.3Å; P203-K205 PolarHBondContact O-N 3.46Å
206	L	84.5	Confident	88.5	Confident	33 Å²	33	59.9 Å²	59.9	17%	0.173	33%	0.325	C	S	.	.	S	Bend	trans	-149.4	115.7	179.6	-160.9	66.9	0	0	0	110.7	P201 P202 H210 L211 R242 F269	P201-L206 HydrophobicContact CB-CB 4.1Å; P202-L206 PolarHBondContact O-N 3.2Å; P202-L206 VanDerWaalsContact O-N 3.12Å; L206-H210 HydrophobicContact CD1-CB 3.81Å; L206-H210 HydrophobicContact CG-CB 4.14Å; L206-L211 HydrophobicContact CD2-CB 3.92Å; L206-L211 HydrophobicContact CD2-CD1 3.97Å; L206-L211 HydrophobicContact CG-CB 4.15Å; L206-R242 PolarHBondContact O-NH1 2.99Å; L206-F269 HydrophobicContact CD2-CB 4.33Å; L206-F269 HydrophobicContact CD2-CD2 4.29Å; L206-F269 HydrophobicContact CD2-CG 4.13Å
207	S	88.8	Confident	88.5	Confident	61 Å²	61	60 Å²	60	43%	0.427	33%	0.332	S	S	.	.			trans	-67.5	152.8	-178.9	73.8	0	0	0	0	112	A209 H210 L211	S207-A209 PolarHBondContact O-N 3.29Å; S207-H210 PolarHBondContact O-N 3.22Å; S207-L211 WeakPolarHBondContact O-CB 3.47Å; S207-L211 PolarHBondContact O-N 3Å
208	D	89.2	Confident	88.5	Confident	57 Å²	57	62.7 Å²	62.7	31%	0.305	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-27.1	-174.1	-70.4	46	0	0	0	114.3	R212 L230 R242	D208-R212 WeakPolarHBondContact O-CB 3.35Å; D208-R212 VanDerWaalsContact O-CG 3.31Å; D208-R212 WeakPolarHBondContact O-CG 3.42Å; D208-R212 PolarHBondContact O-N 3.39Å; D208-R212 VanDerWaalsContact O-N 3.13Å; D208-R212 PolarHBondContact O-NE 3.27Å; D208-L230 HydrophobicContact CB-CD2 4.05Å; D208-R242 IonicContact OD1-CZ 2.72Å; D208-R242 IonicContact OD1-NH1 3.28Å; D208-R242 PolarHBondContact OD1-NH1 3.3Å; D208-R242 IonicContact OD1-NH2 3.38Å; D208-R242 PolarHBondContact OD1-NH2 2.93Å; D208-R242 IonicContact OD2-NH2 3.32Å
209	A	89.5	Confident	88.6	Confident	69 Å²	69	61.8 Å²	61.8	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-75	-47.4	174.8	0	0	0	0	0	111.2	S207 R212 Q213	S207-A209 PolarHBondContact O-N 3.29Å; A209-R212 PolarHBondContact O-N 3.27Å; A209-Q213 WeakPolarHBondContact O-CB 3.47Å; A209-Q213 PolarHBondContact O-N 3.18Å
210	H	91	Very high	88.9	Confident	119 Å²	119	67.2 Å²	67.2	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-63.9	-41.1	175.6	-112.4	93	0	0	0	111.7	L206 S207 Q213 S214	L206-H210 HydrophobicContact CD1-CB 3.81Å; L206-H210 HydrophobicContact CG-CB 4.14Å; S207-H210 PolarHBondContact O-N 3.22Å; H210-Q213 PolarHBondContact O-N 3.41Å; H210-S214 VanDerWaalsContact O-CB 3.24Å; H210-S214 WeakPolarHBondContact O-CB 3.5Å; H210-S214 PolarHBondContact O-N 3.01Å; H210-S214 PolarHBondContact O-OG 2.74Å
211	L	92.3	Very high	89	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.5	-44	176.2	176.8	55	0	0	0	111.4	L200 L206 S207 S214 L215 L230 F269	L200-L211 HydrophobicContact CB-CD1 4.42Å; L200-L211 HydrophobicContact CB-CD2 4.18Å; L200-L211 HydrophobicContact CD1-CD1 4.32Å; L200-L211 HydrophobicContact CD1-CD2 4.34Å; L200-L211 HydrophobicContact CD2-CD1 4.04Å; L206-L211 HydrophobicContact CD2-CB 3.92Å; L206-L211 HydrophobicContact CD2-CD1 3.97Å; L206-L211 HydrophobicContact CG-CB 4.15Å; S207-L211 WeakPolarHBondContact O-CB 3.47Å; S207-L211 PolarHBondContact O-N 3Å; L211-S214 PolarHBondContact O-N 2.68Å; L211-L215 HydrophobicContact CD1-CD1 3.83Å; L211-L215 HydrophobicContact CD1-CG 3.99Å; L211-L215 HydrophobicContact CG-CD1 4.07Å; L211-L215 VanDerWaalsContact O-CB 3.32Å; L211-L215 WeakPolarHBondContact O-CB 3.09Å; L211-L215 WeakPolarHBondContact O-CD1 3.4Å; L211-L215 VanDerWaalsContact O-CG 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 3.3Å; L211-L230 HydrophobicContact CB-CD2 4.3Å; L211-L230 HydrophobicContact CD2-CD2 3.83Å; L211-L230 HydrophobicContact CG-CD2 4.01Å; L211-F269 HydrophobicContact CD1-CD2 3.84Å; L211-F269 HydrophobicContact CD1-CE2 3.61Å
212	R	93.3	Very high	89.2	Confident	114 Å²	114	76.1 Å²	76.1	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-57.7	-48.6	171.8	-87.1	175.7	-97.1	-167.6	-12.1	112.4	D208 A209 F216 V228 L230	D208-R212 WeakPolarHBondContact O-CB 3.35Å; D208-R212 VanDerWaalsContact O-CG 3.31Å; D208-R212 WeakPolarHBondContact O-CG 3.42Å; D208-R212 PolarHBondContact O-N 3.39Å; D208-R212 VanDerWaalsContact O-N 3.13Å; D208-R212 PolarHBondContact O-NE 3.27Å; A209-R212 PolarHBondContact O-N 3.27Å; R212-F216 WeakPolarHBondContact O-CB 3.25Å; R212-F216 PolarHBondContact O-N 2.98Å; R212-V228 HydrophobicContact CG-CG1 4.19Å; R212-L230 HydrophobicContact CG-CD1 3.52Å; R212-L230 HydrophobicContact CG-CD2 4.06Å; R212-L230 HydrophobicContact CG-CG 4.35Å
213	Q	92.8	Very high	89.6	Confident	114 Å²	114	74.1 Å²	74.1	53%	0.533	38%	0.38	S	S	.	.	H	α-helix	trans	-67.9	-37	-178.6	-177.8	57.4	24.7	0	0	112.5	A209 H210 F216 T217	A209-Q213 WeakPolarHBondContact O-CB 3.47Å; A209-Q213 PolarHBondContact O-N 3.18Å; H210-Q213 PolarHBondContact O-N 3.41Å; Q213-F216 PolarHBondContact O-N 2.97Å; Q213-T217 WeakPolarHBondContact O-CB 3.5Å; Q213-T217 PolarHBondContact O-N 3.44Å; Q213-T217 PolarHBondContact O-OG1 3.34Å
214	S	92.6	Very high	90.1	Very high	31 Å²	31	77.9 Å²	77.9	22%	0.217	38%	0.383	C	S	.	.	H	α-helix	trans	-71.7	-43.8	179.3	-53.9	0	0	0	0	111	H210 L211 F216 T217 E218	H210-S214 VanDerWaalsContact O-CB 3.24Å; H210-S214 WeakPolarHBondContact O-CB 3.5Å; H210-S214 PolarHBondContact O-N 3.01Å; H210-S214 PolarHBondContact O-OG 2.74Å; L211-S214 PolarHBondContact O-N 2.68Å; S214-F216 VanDerWaalsContact C-N 3.34Å; S214-F216 PolarHBondContact O-N 3.04Å; S214-T217 PolarHBondContact O-N 3.48Å; S214-E218 VanDerWaalsContact O-CB 3.32Å; S214-E218 WeakPolarHBondContact O-CB 3.42Å; S214-E218 PolarHBondContact O-N 3.48Å
215	L	93.2	Very high	90.8	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.6	-44.5	169.8	-74.1	168.2	0	0	0	111.7	I197 L200 L211 T217 E218 F219 V228 L230 A244 V246 L268 F269	I197-L215 HydrophobicContact CD1-CD2 3.71Å; L200-L215 HydrophobicContact CD1-CD1 4.27Å; L200-L215 HydrophobicContact CD2-CD2 4.36Å; L211-L215 HydrophobicContact CD1-CD1 3.83Å; L211-L215 HydrophobicContact CD1-CG 3.99Å; L211-L215 HydrophobicContact CG-CD1 4.07Å; L211-L215 VanDerWaalsContact O-CB 3.32Å; L211-L215 WeakPolarHBondContact O-CB 3.09Å; L211-L215 WeakPolarHBondContact O-CD1 3.4Å; L211-L215 VanDerWaalsContact O-CG 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.44Å; L211-L215 PolarHBondContact O-N 3.3Å; L215-T217 VanDerWaalsContact C-N 3.29Å; L215-T217 PolarHBondContact O-N 3.42Å; L215-E218 PolarHBondContact O-N 2.9Å; L215-F219 HydrophobicContact CD2-CD2 4.26Å; L215-F219 HydrophobicContact CD2-CE2 3.79Å; L215-F219 WeakPolarHBondContact O-CD2 3.24Å; L215-F219 PolarHBondContact O-N 3.17Å; L215-F219 VanDerWaalsContact O-N 3.1Å; L215-V228 HydrophobicContact CB-CG1 4.06Å; L215-V228 HydrophobicContact CD1-CG1 3.99Å; L215-L230 HydrophobicContact CD1-CD1 4.24Å; L215-A244 HydrophobicContact CD1-CB 3.45Å; L215-A244 VanDerWaalsContact CD1-CB 3.45Å; L215-V246 HydrophobicContact CB-CG2 4.43Å; L215-L268 HydrophobicContact CD2-CD1 4.24Å; L215-F269 HydrophobicContact CD2-CE2 3.7Å; L215-F269 HydrophobicContact CD2-CZ 3.86Å; L215-F269 HydrophobicContact CG-CE2 3.87Å; L215-F269 HydrophobicContact CG-CZ 3.93Å
216	F	93.9	Very high	91.3	Very high	71 Å²	71	69.2 Å²	69.2	31%	0.311	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-38.9	176.6	-172	-89.4	0	0	0	112	R212 Q213 S214 R220 I225 V228	R212-F216 WeakPolarHBondContact O-CB 3.25Å; R212-F216 PolarHBondContact O-N 2.98Å; Q213-F216 PolarHBondContact O-N 2.97Å; S214-F216 VanDerWaalsContact C-N 3.34Å; S214-F216 PolarHBondContact O-N 3.04Å; F216-R220 WeakPolarHBondContact O-CB 3.42Å; F216-R220 PolarHBondContact O-N 3.38Å; F216-I225 HydrophobicContact CB-CD1 4.42Å; F216-I225 HydrophobicContact CD2-CB 4.02Å; F216-I225 HydrophobicContact CD2-CD1 3.85Å; F216-I225 HydrophobicContact CD2-CG2 3.88Å; F216-I225 HydrophobicContact CE2-CB 3.82Å; F216-I225 HydrophobicContact CE2-CD1 4.33Å; F216-I225 HydrophobicContact CE2-CG2 3.99Å; F216-I225 HydrophobicContact CG-CD1 4.15Å; F216-I225 VanDerWaalsContact O-CD1 3.26Å; F216-I225 WeakPolarHBondContact O-CD1 3.32Å; F216-V228 HydrophobicContact CB-CG2 4.23Å; F216-V228 HydrophobicContact CD2-CG2 4.21Å
217	T	93.1	Very high	91.7	Very high	78 Å²	78	68.7 Å²	68.7	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-71.7	-44	179.9	-57.8	0	0	0	0	111.8	Q213 S214 L215	Q213-T217 WeakPolarHBondContact O-CB 3.5Å; Q213-T217 PolarHBondContact O-N 3.44Å; Q213-T217 PolarHBondContact O-OG1 3.34Å; S214-T217 PolarHBondContact O-N 3.48Å; L215-T217 VanDerWaalsContact C-N 3.29Å; L215-T217 PolarHBondContact O-N 3.42Å
218	E	90.5	Very high	91.9	Very high	56 Å²	56	66.9 Å²	66.9	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-52.6	-178.9	-170.8	63.2	-159.8	0	0	111.6	S214 L215 R220 R221 L268	S214-E218 VanDerWaalsContact O-CB 3.32Å; S214-E218 WeakPolarHBondContact O-CB 3.42Å; S214-E218 PolarHBondContact O-N 3.48Å; L215-E218 PolarHBondContact O-N 2.9Å; E218-R220 VanDerWaalsContact C-N 3.34Å; E218-R220 PolarHBondContact O-N 3.22Å; E218-R221 WeakPolarHBondContact O-CG 3.2Å; E218-R221 PolarHBondContact O-NE 3.48Å; E218-R221 IonicContact OE1-CZ 2.76Å; E218-R221 VanDerWaalsContact OE1-CZ 3.28Å; E218-R221 IonicContact OE1-NH1 2.61Å; E218-R221 PolarHBondContact OE1-NH1 2.98Å; E218-R221 IonicContact OE1-NH2 3.86Å; E218-R221 PolarHBondContact OE1-NH2 3.35Å; E218-R221 IonicContact OE2-CZ 2.76Å; E218-R221 IonicContact OE2-NH1 3.88Å; E218-R221 IonicContact OE2-NH2 2.7Å; E218-R221 PolarHBondContact OE2-NH2 3.47Å; E218-L268 HydrophobicContact CG-CD2 3.83Å
219	F	92	Very high	92	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.009	31%	0.309	C	S	.	.	H	α-helix	trans	-78	-14	-175.6	-76.1	-69.2	0	0	0	114.8	L195 I197 L215 R221 C222 G223 I225 V246 F248 A257 I261 L268	L195-F219 HydrophobicContact CD1-CD1 3.99Å; L195-F219 HydrophobicContact CD1-CE1 3.37Å; L195-F219 HydrophobicContact CD1-CZ 3.88Å; I197-F219 HydrophobicContact CD1-CD2 4.37Å; I197-F219 HydrophobicContact CD1-CE2 3.32Å; I197-F219 HydrophobicContact CD1-CZ 3.56Å; L215-F219 HydrophobicContact CD2-CD2 4.26Å; L215-F219 HydrophobicContact CD2-CE2 3.79Å; L215-F219 WeakPolarHBondContact O-CD2 3.24Å; L215-F219 PolarHBondContact O-N 3.17Å; L215-F219 VanDerWaalsContact O-N 3.1Å; F219-R221 PolarHBondContact O-N 2.93Å; F219-C222 WeakPolarHBondContact O-CB 3.21Å; F219-C222 PolarHBondContact O-N 3.49Å; F219-G223 PolarHBondContact O-N 2.88Å; F219-I225 HydrophobicContact CB-CD1 3.67Å; F219-I225 HydrophobicContact CB-CG1 4.29Å; F219-V246 HydrophobicContact CB-CG1 4.14Å; F219-V246 HydrophobicContact CD2-CG1 4.19Å; F219-V246 HydrophobicContact CD2-CG2 3.97Å; F219-V246 HydrophobicContact CE2-CG2 4.17Å; F219-V246 HydrophobicContact CG-CG1 4.2Å; F219-F248 HydrophobicContact CB-CE1 4.24Å; F219-F248 HydrophobicContact CB-CZ 3.81Å; F219-F248 AromaticContact CD1-CZ 3.9Å; F219-F248 HydrophobicContact CD1-CZ 3.9Å; F219-F248 HydrophobicContact CG-CZ 4.1Å; F219-A257 HydrophobicContact CD1-CB 3.83Å; F219-A257 HydrophobicContact CE1-CB 4.15Å; F219-I261 HydrophobicContact CE1-CD1 3.42Å; F219-I261 VanDerWaalsContact CE1-CD1 3.42Å; F219-I261 HydrophobicContact CE1-CG1 4.31Å; F219-I261 HydrophobicContact CE2-CD1 4.4Å; F219-I261 HydrophobicContact CZ-CD1 3.28Å; F219-L268 HydrophobicContact CE2-CD1 4.01Å; F219-L268 HydrophobicContact CZ-CD1 4.1Å
220	R	92.9	Very high	92.1	Very high	169 Å²	169	62.8 Å²	62.8	64%	0.638	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.7	178.7	174.1	175	178.7	-179.6	-1.2	113.3	F216 E218 C222	F216-R220 WeakPolarHBondContact O-CB 3.42Å; F216-R220 PolarHBondContact O-N 3.38Å; E218-R220 VanDerWaalsContact C-N 3.34Å; E218-R220 PolarHBondContact O-N 3.22Å; R220-C222 VanDerWaalsContact C-N 3.32Å
221	R	90.6	Very high	91.7	Very high	176 Å²	176	59.5 Å²	59.5	66%	0.664	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.4	171.9	78.1	-175.6	69.1	127.4	7.4	113.1	E218 F219	E218-R221 WeakPolarHBondContact O-CG 3.2Å; E218-R221 PolarHBondContact O-NE 3.48Å; E218-R221 IonicContact OE1-CZ 2.76Å; E218-R221 VanDerWaalsContact OE1-CZ 3.28Å; E218-R221 IonicContact OE1-NH1 2.61Å; E218-R221 PolarHBondContact OE1-NH1 2.98Å; E218-R221 IonicContact OE1-NH2 3.86Å; E218-R221 PolarHBondContact OE1-NH2 3.35Å; E218-R221 IonicContact OE2-CZ 2.76Å; E218-R221 IonicContact OE2-NH1 3.88Å; E218-R221 IonicContact OE2-NH2 2.7Å; E218-R221 PolarHBondContact OE2-NH2 3.47Å; F219-R221 PolarHBondContact O-N 2.93Å
222	C	89.4	Confident	90.8	Very high	24 Å²	24	63.9 Å²	63.9	16%	0.162	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-23	-178.2	-53	0	0	0	0	112.8	F219 R220 F248 A257	F219-C222 WeakPolarHBondContact O-CB 3.21Å; F219-C222 PolarHBondContact O-N 3.49Å; R220-C222 VanDerWaalsContact C-N 3.32Å; C222-F248 HydrophobicContact CB-CE1 4.42Å; C222-A257 HydrophobicContact CB-CB 3.61Å
223	G	89.9	Confident	89.6	Confident	16 Å²	16	61.9 Å²	61.9	17%	0.165	31%	0.305	C	S	.	.	S	Bend	trans	172.5	-175.7	177.4	0	0	0	0	0	115.4	F219 I225	F219-G223 PolarHBondContact O-N 2.88Å; G223-I225 PolarHBondContact O-N 2.86Å
224	R	93.3	Very high	87.5	Confident	166 Å²	166	62.1 Å²	62.1	63%	0.626	32%	0.315	S	S	*	.			trans	-87.3	96.4	178.6	-178.6	168.1	175.5	149.5	3.7	109.4	R249 E253	R224-R249 HydrophobicContact CB-CB 4.28Å; R224-R249 HydrophobicContact CG-CB 4.43Å; R224-R249 WeakPolarHBondContact O-CB 3.35Å; R224-R249 PolarHBondContact O-N 2.89Å; R224-E253 PolarHBondContact N-OE2 3.32Å
225	I	93.4	Very high	85.5	Confident	14 Å²	14	66.4 Å²	66.4	7%	0.072	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	138.2	170.8	-55.3	172.1	0	0	0	110.1	F216 F219 G223 S227 V228 V246 T247 F248	F216-I225 HydrophobicContact CB-CD1 4.42Å; F216-I225 HydrophobicContact CD2-CB 4.02Å; F216-I225 HydrophobicContact CD2-CD1 3.85Å; F216-I225 HydrophobicContact CD2-CG2 3.88Å; F216-I225 HydrophobicContact CE2-CB 3.82Å; F216-I225 HydrophobicContact CE2-CD1 4.33Å; F216-I225 HydrophobicContact CE2-CG2 3.99Å; F216-I225 HydrophobicContact CG-CD1 4.15Å; F216-I225 VanDerWaalsContact O-CD1 3.26Å; F216-I225 WeakPolarHBondContact O-CD1 3.32Å; F219-I225 HydrophobicContact CB-CD1 3.67Å; F219-I225 HydrophobicContact CB-CG1 4.29Å; G223-I225 PolarHBondContact O-N 2.86Å; I225-S227 WeakPolarHBondContact CG2-O 3.38Å; I225-V228 HydrophobicContact CG2-CG2 3.87Å; I225-V246 HydrophobicContact CD1-CG1 4.17Å; I225-V246 HydrophobicContact CG1-CG1 4.16Å; I225-V246 HydrophobicContact CG2-CG1 4.1Å; I225-T247 WeakPolarHBondContact CG2-O 3.34Å; I225-F248 HydrophobicContact CG1-CD1 4.26Å; I225-F248 HydrophobicContact CG1-CE1 4.02Å
226	Q	91.5	Very high	83.3	Confident	84 Å²	84	70.8 Å²	70.8	39%	0.393	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-43	173.6	177.6	-178.6	-7	0	0	111	T247	Q226-T247 WeakPolarHBondContact CA-O 3.11Å; Q226-T247 HydrophobicContact CB-CG2 4.41Å; Q226-T247 WeakPolarHBondContact CB-O 3.24Å; Q226-T247 PolarHBondContact N-O 3.5Å
227	S	92.2	Very high	80.9	Confident	21 Å²	21	70.2 Å²	70.2	15%	0.147	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	153.4	177.7	56.3	0	0	0	0	111.5	I225 T247	I225-S227 WeakPolarHBondContact CG2-O 3.38Å; S227-T247 PolarHBondContact N-O 2.86Å; S227-T247 PolarHBondContact O-N 3.2Å
228	V	94	Very high	79	Confident	24 Å²	24	73 Å²	73	15%	0.145	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	108.2	164.6	-176.8	0	0	0	0	107	R212 L215 F216 I225 L230 I245 V246	R212-V228 HydrophobicContact CG-CG1 4.19Å; L215-V228 HydrophobicContact CB-CG1 4.06Å; L215-V228 HydrophobicContact CD1-CG1 3.99Å; F216-V228 HydrophobicContact CB-CG2 4.23Å; F216-V228 HydrophobicContact CD2-CG2 4.21Å; I225-V228 HydrophobicContact CG2-CG2 3.87Å; V228-L230 HydrophobicContact CG1-CD1 3.95Å; V228-I245 WeakPolarHBondContact CA-O 3.27Å; V228-V246 HydrophobicContact CG1-CG2 4.21Å; V228-V246 HydrophobicContact CG2-CG1 4.36Å; V228-V246 HydrophobicContact CG2-CG2 4.27Å
229	V	91.5	Very high	77.3	Confident	20 Å²	20	76.9 Å²	76.9	12%	0.121	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.4	179.3	-179.7	0	0	0	0	108.6	A244 I245	V229-A244 CarbonylContact O-C 3.6Å; V229-A244 WeakPolarHBondContact O-CA 3.37Å; V229-I245 PolarHBondContact N-O 2.94Å; V229-I245 PolarHBondContact O-N 2.82Å
230	L	90.5	Very high	75.7	Confident	20 Å²	20	79.9 Å²	79.9	11%	0.105	44%	0.443	C	S	.	.			trans	-109.6	102.1	168	-85.4	54.1	0	0	0	106.3	D208 L211 R212 L215 V228 A244	D208-L230 HydrophobicContact CB-CD2 4.05Å; L211-L230 HydrophobicContact CB-CD2 4.3Å; L211-L230 HydrophobicContact CD2-CD2 3.83Å; L211-L230 HydrophobicContact CG-CD2 4.01Å; R212-L230 HydrophobicContact CG-CD1 3.52Å; R212-L230 HydrophobicContact CG-CD2 4.06Å; R212-L230 HydrophobicContact CG-CG 4.35Å; L215-L230 HydrophobicContact CD1-CD1 4.24Å; V228-L230 HydrophobicContact CG1-CD1 3.95Å; L230-A244 HydrophobicContact CD1-CB 3.66Å; L230-A244 HydrophobicContact CG-CB 4.19Å
231	P	83.8	Confident	74.8	Confident	49 Å²	49	75.1 Å²	75.1	32%	0.318	43%	0.433	S	S	.	.			trans	-59.6	135.8	173	-22.5	34.5	0	0	0	109.7	T233 L243 I245	P231-T233 PolarHBondContact O-N 3.19Å; P231-L243 WeakPolarHBondContact CD-O 3.26Å; P231-I245 HydrophobicContact CG-CD1 4.27Å
232	P	72.9	Confident	74.5	Confident	92 Å²	92	67.8 Å²	67.8	60%	0.597	41%	0.405	S	S	*	.			trans	-56.5	134.4	174.2	-24.7	34.3	0	0	0	110.9	T234	P232-T234 PolarHBondContact O-N 2.9Å
233	T	66.7	Low	74.5	Confident	73 Å²	73	69.7 Å²	69.7	45%	0.448	41%	0.414	S	S	.	.			trans	-75.4	68.5	172.3	49.7	0	0	0	0	109.6	P231 N235	P231-T233 PolarHBondContact O-N 3.19Å; T233-N235 PolarHBondContact O-N 3.15Å
234	T	50.6	Low	74.6	Confident	119 Å²	119	69 Å²	69	73%	0.73	41%	0.406	S	S	*	.			trans	-74.4	77.7	177.8	-50.7	0	0	0	0	110.1	P232	P232-T234 PolarHBondContact O-N 2.9Å
235	N	49.2	Very low	74.6	Confident	120 Å²	120	62.1 Å²	62.1	64%	0.642	38%	0.381	S	S	*	.	S	Bend	trans	-170.9	134.2	156	-93.5	-26.7	0	0	0	108.1	T233 S237	T233-N235 PolarHBondContact O-N 3.15Å; N235-S237 PolarHBondContact O-N 2.8Å
236	G	48	Very low	74.7	Confident	92 Å²	92	61.4 Å²	61.4	95%	0.948	38%	0.378	S	S	*	.			trans	-69.7	19.3	173	0	0	0	0	0	114.5
237	S	43.9	Very low	74.8	Confident	59 Å²	59	57.5 Å²	57.5	41%	0.413	36%	0.36	S	S	.	.			trans	-84.2	115.7	177.3	-179.7	0	0	0	0	109.4	N235 N239 T240	N235-S237 PolarHBondContact O-N 2.8Å; S237-N239 PolarHBondContact O-N 3.3Å; S237-T240 PolarHBondContact O-N 2.85Å; S237-T240 VanDerWaalsContact O-N 3.09Å; S237-T240 PolarHBondContact O-OG1 3.03Å
238	T	51.6	Low	74.9	Confident	136 Å²	136	56.5 Å²	56.5	83%	0.834	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-20.2	179.4	48.6	0	0	0	0	114.7
239	N	55.2	Low	74.7	Confident	139 Å²	139	61.8 Å²	61.8	74%	0.743	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	2.5	-176.3	-63.3	-26.1	0	0	0	114.1	S237 T241	S237-N239 PolarHBondContact O-N 3.3Å; N239-T241 PolarHBondContact O-N 3.39Å
240	T	59.3	Low	74.7	Confident	65 Å²	65	66.2 Å²	66.2	40%	0.399	39%	0.385	S	S	.	.			trans	-82.8	97.7	179.6	53.4	0	0	0	0	111.9	S237	S237-T240 PolarHBondContact O-N 2.85Å; S237-T240 VanDerWaalsContact O-N 3.09Å; S237-T240 PolarHBondContact O-OG1 3.03Å
241	T	73.1	Confident	74.7	Confident	69 Å²	69	65.7 Å²	65.7	42%	0.423	38%	0.383	S	S	.	.			trans	-66.6	147.4	179.5	66.9	0	0	0	0	112.1	D199 N239	D199-T241 PolarHBondContact N-OG1 2.91Å; D199-T241 WeakPolarHBondContact OD1-CB 3.37Å; D199-T241 WeakPolarHBondContact OD1-CG2 3.45Å; D199-T241 PolarHBondContact OD1-OG1 2.83Å; N239-T241 PolarHBondContact O-N 3.39Å
242	R	84.8	Confident	75	Confident	22 Å²	22	68.3 Å²	68.3	8%	0.083	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	139.3	179.8	-78.2	-162.4	-168.9	-103.2	-127.8	111.5	S198 D199 L200 P201 P203 L206 D208	S198-R242 CarbonylContact C-O 3.59Å; S198-R242 WeakPolarHBondContact CA-O 3.24Å; D199-R242 PolarHBondContact N-O 2.95Å; L200-R242 HydrophobicContact CB-CB 3.87Å; P201-R242 WeakPolarHBondContact O-CD 3.44Å; P201-R242 PolarHBondContact O-NE 3.29Å; P203-R242 VanDerWaalsContact CA-NH1 3.29Å; L206-R242 PolarHBondContact O-NH1 2.99Å; D208-R242 IonicContact OD1-CZ 2.72Å; D208-R242 IonicContact OD1-NH1 3.28Å; D208-R242 PolarHBondContact OD1-NH1 3.3Å; D208-R242 IonicContact OD1-NH2 3.38Å; D208-R242 PolarHBondContact OD1-NH2 2.93Å; D208-R242 IonicContact OD2-NH2 3.32Å
243	L	89.5	Confident	76	Confident	64 Å²	64	64.8 Å²	64.8	34%	0.335	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	143.1	176.3	-76.7	157.7	0	0	0	111.7	K196 I197 P231	K196-L243 HydrophobicContact CD-CD2 4.49Å; K196-L243 HydrophobicContact CG-CD2 4.12Å; I197-L243 CarbonylContact O-C 3.6Å; I197-L243 VanDerWaalsContact O-CA 3.31Å; I197-L243 WeakPolarHBondContact O-CA 3.22Å; P231-L243 WeakPolarHBondContact CD-O 3.26Å
244	A	92.2	Very high	77.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.8	166.9	0	0	0	0	0	111.5	K196 I197 L200 L215 V229 L230	K196-A244 CarbonylContact C-O 3.56Å; K196-A244 WeakPolarHBondContact CA-O 3.49Å; I197-A244 PolarHBondContact N-O 2.79Å; I197-A244 PolarHBondContact O-N 3.21Å; L200-A244 HydrophobicContact CD1-CB 3.5Å; L200-A244 VanDerWaalsContact CD1-CB 3.5Å; L215-A244 HydrophobicContact CD1-CB 3.45Å; L215-A244 VanDerWaalsContact CD1-CB 3.45Å; V229-A244 CarbonylContact O-C 3.6Å; V229-A244 WeakPolarHBondContact O-CA 3.37Å; L230-A244 HydrophobicContact CD1-CB 3.66Å; L230-A244 HydrophobicContact CG-CB 4.19Å
245	I	93.1	Very high	79.1	Confident	22 Å²	22	58.6 Å²	58.6	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	109.2	175.6	-57.1	176.2	0	0	0	108.4	L195 V228 V229 P231 H278 T281	L195-I245 CarbonylContact O-C 3.51Å; L195-I245 VanDerWaalsContact O-CA 3.27Å; L195-I245 WeakPolarHBondContact O-CA 3.45Å; V228-I245 WeakPolarHBondContact CA-O 3.27Å; V229-I245 PolarHBondContact N-O 2.94Å; V229-I245 PolarHBondContact O-N 2.82Å; P231-I245 HydrophobicContact CG-CD1 4.27Å; I245-H278 WeakPolarHBondContact CG2-ND1 3.47Å; I245-T281 HydrophobicContact CD1-CG2 4.41Å
246	V	94.5	Very high	81.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	101.3	177	-178.4	0	0	0	0	108.3	G194 L195 I197 L215 F219 I225 V228 F248	G194-V246 CarbonylContact C-O 3.51Å; G194-V246 WeakPolarHBondContact CA-O 3.42Å; L195-V246 PolarHBondContact N-O 3.06Å; L195-V246 PolarHBondContact O-N 2.87Å; I197-V246 HydrophobicContact CD1-CG2 3.78Å; L215-V246 HydrophobicContact CB-CG2 4.43Å; F219-V246 HydrophobicContact CB-CG1 4.14Å; F219-V246 HydrophobicContact CD2-CG1 4.19Å; F219-V246 HydrophobicContact CD2-CG2 3.97Å; F219-V246 HydrophobicContact CE2-CG2 4.17Å; F219-V246 HydrophobicContact CG-CG1 4.2Å; I225-V246 HydrophobicContact CD1-CG1 4.17Å; I225-V246 HydrophobicContact CG1-CG1 4.16Å; I225-V246 HydrophobicContact CG2-CG1 4.1Å; V228-V246 HydrophobicContact CG1-CG2 4.21Å; V228-V246 HydrophobicContact CG2-CG1 4.36Å; V228-V246 HydrophobicContact CG2-CG2 4.27Å; V246-F248 HydrophobicContact CB-CE2 4.4Å; V246-F248 HydrophobicContact CG1-CD2 4.36Å; V246-F248 HydrophobicContact CG1-CE2 3.71Å; V246-F248 HydrophobicContact CG1-CZ 3.94Å
247	T	93.5	Very high	83.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.3	177.3	-57.3	0	0	0	0	109.7	I225 Q226 S227 T281	I225-T247 WeakPolarHBondContact CG2-O 3.34Å; Q226-T247 WeakPolarHBondContact CA-O 3.11Å; Q226-T247 HydrophobicContact CB-CG2 4.41Å; Q226-T247 WeakPolarHBondContact CB-O 3.24Å; Q226-T247 PolarHBondContact N-O 3.5Å; S227-T247 PolarHBondContact N-O 2.86Å; S227-T247 PolarHBondContact O-N 3.2Å; T247-T281 PolarHBondContact OG1-N 2.97Å
248	F	94.3	Very high	85.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	162.7	179.6	-68.7	-98.4	0	0	0	111.9	R193 L195 F219 C222 I225 V246 R250 E253 A254 A257	R193-F248 WeakPolarHBondContact CD-O 3.39Å; R193-F248 WeakPolarHBondContact CG-O 3.2Å; R193-F248 PolarHBondContact NE-O 2.82Å; R193-F248 VanDerWaalsContact NE-O 3.15Å; R193-F248 PolarHBondContact O-N 2.94Å; L195-F248 HydrophobicContact CD1-CE2 4.04Å; L195-F248 HydrophobicContact CD1-CZ 4.47Å; L195-F248 HydrophobicContact CG-CE2 4.03Å; F219-F248 HydrophobicContact CB-CE1 4.24Å; F219-F248 HydrophobicContact CB-CZ 3.81Å; F219-F248 AromaticContact CD1-CZ 3.9Å; F219-F248 HydrophobicContact CD1-CZ 3.9Å; F219-F248 HydrophobicContact CG-CZ 4.1Å; C222-F248 HydrophobicContact CB-CE1 4.42Å; I225-F248 HydrophobicContact CG1-CD1 4.26Å; I225-F248 HydrophobicContact CG1-CE1 4.02Å; V246-F248 HydrophobicContact CB-CE2 4.4Å; V246-F248 HydrophobicContact CG1-CD2 4.36Å; V246-F248 HydrophobicContact CG1-CE2 3.71Å; V246-F248 HydrophobicContact CG1-CZ 3.94Å; F248-R250 VanDerWaalsContact C-N 3.29Å; F248-R250 WeakPolarHBondContact CB-O 3.09Å; F248-R250 PolarHBondContact O-N 2.94Å; F248-E253 HydrophobicContact CB-CB 4.02Å; F248-E253 HydrophobicContact CD1-CB 3.84Å; F248-E253 HydrophobicContact CG-CB 4.17Å; F248-A254 HydrophobicContact CB-CB 4.27Å; F248-A254 HydrophobicContact CD2-CB 3.68Å; F248-A254 HydrophobicContact CE2-CB 4.36Å; F248-A254 HydrophobicContact CG-CB 4.19Å; F248-A257 HydrophobicContact CE1-CB 4.01Å; F248-A257 HydrophobicContact CE2-CB 3.82Å; F248-A257 HydrophobicContact CZ-CB 3.33Å
249	R	91.6	Very high	87.3	Confident	136 Å²	136	50.7 Å²	50.7	51%	0.513	25%	0.247	S	C	.	.	S	Bend	trans	-75.8	-17.8	175.2	-170.2	173.3	-176.7	178.1	5.8	112.8	R193 R224	R193-R249 VanDerWaalsContact CZ-O 3.3Å; R193-R249 PolarHBondContact NE-O 2.99Å; R193-R249 VanDerWaalsContact NE-O 3.16Å; R193-R249 PolarHBondContact NH2-O 3.33Å; R224-R249 HydrophobicContact CB-CB 4.28Å; R224-R249 HydrophobicContact CG-CB 4.43Å; R224-R249 WeakPolarHBondContact O-CB 3.35Å; R224-R249 PolarHBondContact O-N 2.89Å
250	R	89.8	Confident	88.9	Confident	113 Å²	113	46.8 Å²	46.8	43%	0.426	23%	0.234	S	C	.	.			trans	-132.8	146.4	176.1	-85.5	-168.9	-65.1	153.5	5.2	110.5	F248 E252 E253 A254	F248-R250 VanDerWaalsContact C-N 3.29Å; F248-R250 WeakPolarHBondContact CB-O 3.09Å; F248-R250 PolarHBondContact O-N 2.94Å; R250-E252 VanDerWaalsContact C-N 3.31Å; R250-E252 VanDerWaalsContact CB-OE2 3.24Å; R250-E252 WeakPolarHBondContact CB-OE2 3.46Å; R250-E253 HydrophobicContact CB-CB 4Å; R250-E253 HydrophobicContact CB-CG 3.74Å; R250-E253 IonicContact CZ-OE1 2.7Å; R250-E253 IonicContact NE-OE1 3.59Å; R250-E253 PolarHBondContact NE-OE1 3.37Å; R250-E253 IonicContact NH2-OE1 3.68Å; R250-E253 PolarHBondContact NH2-OE1 3.46Å; R250-E253 WeakPolarHBondContact O-CB 3.13Å; R250-E253 PolarHBondContact O-N 2.78Å; R250-A254 PolarHBondContact O-N 3.45Å
251	A	90.3	Very high	90.1	Very high	9 Å²	9	44.6 Å²	44.6	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-75.1	-28	175.4	0	0	0	0	0	110.8	S189 Y192 E253 A254 E255	S189-A251 WeakPolarHBondContact O-CB 3.48Å; Y192-A251 WeakPolarHBondContact O-CA 3.46Å; Y192-A251 VanDerWaalsContact O-CB 3.27Å; Y192-A251 WeakPolarHBondContact O-CB 3.42Å; A251-E253 VanDerWaalsContact C-N 3.25Å; A251-E253 PolarHBondContact O-N 3.11Å; A251-A254 PolarHBondContact O-N 2.95Å; A251-E255 WeakPolarHBondContact O-CB 3.4Å; A251-E255 PolarHBondContact O-N 2.76Å
252	E	90.9	Very high	90.5	Very high	104 Å²	104	45.7 Å²	45.7	49%	0.486	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-28.8	169.9	-43.4	96.1	113.1	0	0	112.2	R250 C256	R250-E252 VanDerWaalsContact C-N 3.31Å; R250-E252 VanDerWaalsContact CB-OE2 3.24Å; R250-E252 WeakPolarHBondContact CB-OE2 3.46Å; E252-C256 VanDerWaalsContact O-CB 3.26Å; E252-C256 WeakPolarHBondContact O-CB 3.44Å; E252-C256 PolarHBondContact O-N 2.93Å
253	E	93.2	Very high	89.7	Confident	18 Å²	18	48.2 Å²	48.2	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-75.4	-39.3	173.6	-73.5	169.4	-168.7	0	0	111.3	R224 F248 R250 A251 C256 A257	R224-E253 PolarHBondContact N-OE2 3.32Å; F248-E253 HydrophobicContact CB-CB 4.02Å; F248-E253 HydrophobicContact CD1-CB 3.84Å; F248-E253 HydrophobicContact CG-CB 4.17Å; R250-E253 HydrophobicContact CB-CB 4Å; R250-E253 HydrophobicContact CB-CG 3.74Å; R250-E253 IonicContact CZ-OE1 2.7Å; R250-E253 IonicContact NE-OE1 3.59Å; R250-E253 PolarHBondContact NE-OE1 3.37Å; R250-E253 IonicContact NH2-OE1 3.68Å; R250-E253 PolarHBondContact NH2-OE1 3.46Å; R250-E253 WeakPolarHBondContact O-CB 3.13Å; R250-E253 PolarHBondContact O-N 2.78Å; A251-E253 VanDerWaalsContact C-N 3.25Å; A251-E253 PolarHBondContact O-N 3.11Å; E253-C256 PolarHBondContact O-N 2.99Å; E253-A257 WeakPolarHBondContact O-CB 3.45Å; E253-A257 PolarHBondContact O-N 3.09Å
254	A	93.8	Very high	88.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-40.1	173.3	0	0	0	0	0	112.1	F248 R250 A251 A257 Y258	F248-A254 HydrophobicContact CB-CB 4.27Å; F248-A254 HydrophobicContact CD2-CB 3.68Å; F248-A254 HydrophobicContact CE2-CB 4.36Å; F248-A254 HydrophobicContact CG-CB 4.19Å; R250-A254 PolarHBondContact O-N 3.45Å; A251-A254 PolarHBondContact O-N 2.95Å; A254-A257 PolarHBondContact O-N 3.41Å; A254-Y258 WeakPolarHBondContact O-CB 3.24Å; A254-Y258 PolarHBondContact O-N 3.2Å
255	E	90.5	Very high	87.2	Confident	61 Å²	61	51.1 Å²	51.1	29%	0.285	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-41.1	174.9	-176	168.1	-168.9	0	0	111.7	S189 A251 A257 Y258 Q259	S189-E255 WeakPolarHBondContact CB-OE2 3.47Å; A251-E255 WeakPolarHBondContact O-CB 3.4Å; A251-E255 PolarHBondContact O-N 2.76Å; E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.46Å; E255-Y258 PolarHBondContact O-N 3.12Å; E255-Q259 WeakPolarHBondContact O-CG 3.05Å; E255-Q259 PolarHBondContact O-N 2.88Å
256	C	90.1	Very high	86.3	Confident	63 Å²	63	53.9 Å²	53.9	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-43.5	171.7	-177.9	0	0	0	0	111.8	E252 E253 Q259 A260	E252-C256 VanDerWaalsContact O-CB 3.26Å; E252-C256 WeakPolarHBondContact O-CB 3.44Å; E252-C256 PolarHBondContact O-N 2.93Å; E253-C256 PolarHBondContact O-N 2.99Å; C256-Q259 PolarHBondContact O-N 3.46Å; C256-A260 WeakPolarHBondContact O-CB 3.45Å; C256-A260 PolarHBondContact O-N 3.29Å
257	A	92.6	Very high	85.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-38.4	176.3	0	0	0	0	0	113.5	L195 F219 C222 F248 E253 A254 E255 I261	L195-A257 HydrophobicContact CD1-CB 3.65Å; F219-A257 HydrophobicContact CD1-CB 3.83Å; F219-A257 HydrophobicContact CE1-CB 4.15Å; C222-A257 HydrophobicContact CB-CB 3.61Å; F248-A257 HydrophobicContact CE1-CB 4.01Å; F248-A257 HydrophobicContact CE2-CB 3.82Å; F248-A257 HydrophobicContact CZ-CB 3.33Å; E253-A257 WeakPolarHBondContact O-CB 3.45Å; E253-A257 PolarHBondContact O-N 3.09Å; A254-A257 PolarHBondContact O-N 3.41Å; E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.46Å; A257-I261 PolarHBondContact O-N 3.11Å
258	Y	92.6	Very high	85.1	Confident	61 Å²	61	59 Å²	59	24%	0.239	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-47.6	173.5	-175	-109	0	0	0	111.4	L195 A254 E255 A260 I261 Q262 V275 L277	L195-Y258 HydrophobicContact CD2-CD2 4.06Å; L195-Y258 HydrophobicContact CD2-CG 4.41Å; A254-Y258 WeakPolarHBondContact O-CB 3.24Å; A254-Y258 PolarHBondContact O-N 3.2Å; E255-Y258 PolarHBondContact O-N 3.12Å; Y258-A260 PolarHBondContact O-N 3.45Å; Y258-I261 PolarHBondContact O-N 2.82Å; Y258-Q262 HydrophobicContact CD1-CG 4.3Å; Y258-Q262 HydrophobicContact CE1-CG 4.13Å; Y258-Q262 HydrophobicContact CE2-CG 4.4Å; Y258-Q262 WeakPolarHBondContact O-CG 3.27Å; Y258-Q262 PolarHBondContact O-N 3.34Å; Y258-Q262 PolarHBondContact OH-NE2 2.81Å; Y258-V275 HydrophobicContact CD2-CG1 4.24Å; Y258-V275 WeakPolarHBondContact CE2-O 3.3Å; Y258-L277 HydrophobicContact CD1-CD1 4.04Å; Y258-L277 HydrophobicContact CD1-CG 4.12Å; Y258-L277 HydrophobicContact CD2-CD2 4.27Å; Y258-L277 HydrophobicContact CD2-CG 3.81Å; Y258-L277 HydrophobicContact CE1-CD1 4.09Å; Y258-L277 HydrophobicContact CE1-CG 4.34Å; Y258-L277 HydrophobicContact CE2-CG 4.05Å; Y258-L277 HydrophobicContact CG-CD1 4.26Å; Y258-L277 HydrophobicContact CG-CD2 4.01Å; Y258-L277 HydrophobicContact CG-CG 3.82Å
259	Q	89.5	Confident	84.7	Confident	117 Å²	117	61.8 Å²	61.8	55%	0.547	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-38.2	178.5	-70.2	178.5	22.3	0	0	112	E255 C256 I261 Q262 G263	E255-Q259 WeakPolarHBondContact O-CG 3.05Å; E255-Q259 PolarHBondContact O-N 2.88Å; C256-Q259 PolarHBondContact O-N 3.46Å; Q259-I261 VanDerWaalsContact C-N 3.29Å; Q259-I261 PolarHBondContact O-N 2.68Å; Q259-Q262 PolarHBondContact O-N 2.68Å; Q259-G263 PolarHBondContact O-N 3.44Å
260	A	86.9	Confident	84.2	Confident	58 Å²	58	60.9 Å²	60.9	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-36.3	176.9	0	0	0	0	0	113.1	C256 Y258	C256-A260 WeakPolarHBondContact O-CB 3.45Å; C256-A260 PolarHBondContact O-N 3.29Å; Y258-A260 PolarHBondContact O-N 3.45Å
261	I	85.5	Confident	83.9	Confident	19 Å²	19	56.8 Å²	56.8	10%	0.097	34%	0.342	C	S	.	.	H	α-helix	trans	-85.9	-31.5	176.1	-66.7	-175.6	0	0	0	112.5	F219 A257 Y258 Q259 G263 G264 K266 L268 V275	F219-I261 HydrophobicContact CE1-CD1 3.42Å; F219-I261 VanDerWaalsContact CE1-CD1 3.42Å; F219-I261 HydrophobicContact CE1-CG1 4.31Å; F219-I261 HydrophobicContact CE2-CD1 4.4Å; F219-I261 HydrophobicContact CZ-CD1 3.28Å; A257-I261 PolarHBondContact O-N 3.11Å; Y258-I261 PolarHBondContact O-N 2.82Å; Q259-I261 VanDerWaalsContact C-N 3.29Å; Q259-I261 PolarHBondContact O-N 2.68Å; I261-G263 VanDerWaalsContact C-N 3.3Å; I261-G264 PolarHBondContact O-N 3.33Å; I261-K266 HydrophobicContact CG2-CB 4.27Å; I261-K266 HydrophobicContact CG2-CG 4.14Å; I261-L268 HydrophobicContact CD1-CD1 3.93Å; I261-L268 HydrophobicContact CD1-CD2 4.15Å; I261-L268 HydrophobicContact CD1-CG 4.26Å; I261-V275 HydrophobicContact CD1-CG2 4.26Å; I261-V275 HydrophobicContact CG2-CG2 3.92Å
262	Q	80.7	Confident	83.7	Confident	91 Å²	91	61.1 Å²	61.1	43%	0.425	37%	0.37	S	S	.	.	H	α-helix	trans	-72.2	-23.8	173.9	-66.6	-132.7	-19.5	0	0	113.5	Y258 Q259 G264	Y258-Q262 HydrophobicContact CD1-CG 4.3Å; Y258-Q262 HydrophobicContact CE1-CG 4.13Å; Y258-Q262 HydrophobicContact CE2-CG 4.4Å; Y258-Q262 WeakPolarHBondContact O-CG 3.27Å; Y258-Q262 PolarHBondContact O-N 3.34Å; Y258-Q262 PolarHBondContact OH-NE2 2.81Å; Q259-Q262 PolarHBondContact O-N 2.68Å; Q262-G264 VanDerWaalsContact C-N 3.33Å
263	G	69.2	Low	83.5	Confident	75 Å²	75	56.4 Å²	56.4	77%	0.773	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.5	175.8	0	0	0	0	0	115	Q259 I261	Q259-G263 PolarHBondContact O-N 3.44Å; I261-G263 VanDerWaalsContact C-N 3.3Å
264	G	65.8	Low	83.2	Confident	42 Å²	42	58.4 Å²	58.4	43%	0.433	36%	0.364	S	S	.	.	S	Bend	trans	-124.7	179.1	175.8	0	0	0	0	0	112.3	I261 Q262 K266	I261-G264 PolarHBondContact O-N 3.33Å; Q262-G264 VanDerWaalsContact C-N 3.33Å; G264-K266 PolarHBondContact O-N 2.93Å
265	A	62.8	Low	83.1	Confident	84 Å²	84	58.8 Å²	58.8	69%	0.694	37%	0.366	S	S	*	.			trans	-59.6	128.8	160.1	0	0	0	0	0	108.1	I267	A265-I267 HydrophobicContact CB-CD1 4.04Å; A265-I267 HydrophobicContact CB-CG1 4.19Å; A265-I267 PolarHBondContact O-N 3.23Å
266	K	73.4	Confident	83.1	Confident	79 Å²	79	60.6 Å²	60.6	34%	0.343	37%	0.374	S	S	.	.			trans	-76.2	53.8	-175	-60.5	-177.8	179.7	176.3	0	112.3	I261 G264 P272 V273	I261-K266 HydrophobicContact CG2-CB 4.27Å; I261-K266 HydrophobicContact CG2-CG 4.14Å; G264-K266 PolarHBondContact O-N 2.93Å; K266-P272 CarbonylContact O-C 3.53Å; K266-P272 WeakPolarHBondContact O-CA 3.41Å; K266-V273 WeakPolarHBondContact CB-O 3.44Å; K266-V273 WeakPolarHBondContact O-CG2 3.38Å; K266-V273 PolarHBondContact O-N 3.26Å
267	I	81.7	Confident	83.1	Confident	100 Å²	100	59.5 Å²	59.5	51%	0.513	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.7	-173.9	-58.7	174.8	0	0	0	107.9	A265 T271	A265-I267 HydrophobicContact CB-CD1 4.04Å; A265-I267 HydrophobicContact CB-CG1 4.19Å; A265-I267 PolarHBondContact O-N 3.23Å; I267-T271 WeakPolarHBondContact CA-O 3.37Å
268	L	82.6	Confident	82.9	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.5	167.9	-66.6	-173.1	0	0	0	108.4	L215 E218 F219 I261 S270 T271 V273	L215-L268 HydrophobicContact CD2-CD1 4.24Å; E218-L268 HydrophobicContact CG-CD2 3.83Å; F219-L268 HydrophobicContact CE2-CD1 4.01Å; F219-L268 HydrophobicContact CZ-CD1 4.1Å; I261-L268 HydrophobicContact CD1-CD1 3.93Å; I261-L268 HydrophobicContact CD1-CD2 4.15Å; I261-L268 HydrophobicContact CD1-CG 4.26Å; L268-S270 PolarHBondContact O-N 2.75Å; L268-T271 PolarHBondContact N-O 2.6Å; L268-T271 PolarHBondContact O-N 2.91Å; L268-T271 PolarHBondContact O-OG1 3.42Å; L268-V273 HydrophobicContact CB-CG1 4.08Å; L268-V273 HydrophobicContact CB-CG2 3.97Å; L268-V273 HydrophobicContact CD1-CG2 4Å; L268-V273 HydrophobicContact CG-CG2 3.7Å
269	F	85	Confident	82.3	Confident	59 Å²	59	62.1 Å²	62.1	26%	0.259	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	38.5	177.2	-37	-53.6	0	0	0	113	L200 P201 L206 L211 L215 T271	L200-F269 HydrophobicContact CD2-CD2 4.11Å; L200-F269 HydrophobicContact CD2-CE2 3.99Å; P201-F269 HydrophobicContact CG-CB 3.79Å; P201-F269 HydrophobicContact CG-CD2 4.39Å; L206-F269 HydrophobicContact CD2-CB 4.33Å; L206-F269 HydrophobicContact CD2-CD2 4.29Å; L206-F269 HydrophobicContact CD2-CG 4.13Å; L211-F269 HydrophobicContact CD1-CD2 3.84Å; L211-F269 HydrophobicContact CD1-CE2 3.61Å; L215-F269 HydrophobicContact CD2-CE2 3.7Å; L215-F269 HydrophobicContact CD2-CZ 3.86Å; L215-F269 HydrophobicContact CG-CE2 3.87Å; L215-F269 HydrophobicContact CG-CZ 3.93Å; F269-T271 PolarHBondContact O-N 3.4Å
270	S	82.3	Confident	81.1	Confident	117 Å²	117	57.3 Å²	57.3	82%	0.818	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	18.3	-175.6	-52.4	0	0	0	0	115.5	L268	L268-S270 PolarHBondContact O-N 2.75Å
271	T	82.8	Confident	79.9	Confident	28 Å²	28	56.1 Å²	56.1	17%	0.172	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.9	171.9	46.2	0	0	0	0	111.4	P201 I267 L268 F269 V273	P201-T271 HydrophobicContact CB-CG2 4.34Å; P201-T271 WeakPolarHBondContact CD-OG1 3.41Å; P201-T271 HydrophobicContact CG-CG2 3.94Å; P201-T271 WeakPolarHBondContact CG-OG1 3.45Å; I267-T271 WeakPolarHBondContact CA-O 3.37Å; L268-T271 PolarHBondContact N-O 2.6Å; L268-T271 PolarHBondContact O-N 2.91Å; L268-T271 PolarHBondContact O-OG1 3.42Å; F269-T271 PolarHBondContact O-N 3.4Å; T271-V273 PolarHBondContact O-N 2.93Å
272	P	85	Confident	78.3	Confident	100 Å²	100	59.7 Å²	59.7	65%	0.649	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	118.6	171.6	29.5	-32.8	0	0	0	110	K266	K266-P272 CarbonylContact O-C 3.53Å; K266-P272 WeakPolarHBondContact O-CA 3.41Å
273	V	88.6	Confident	76.9	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	37%	0.374	C	S	.	.			trans	-108	140.5	-177.7	-66.1	0	0	0	0	112	I197 S198 L200 K266 L268 T271 V275	I197-V273 HydrophobicContact CG2-CB 3.98Å; I197-V273 HydrophobicContact CG2-CG1 4.25Å; I197-V273 HydrophobicContact CG2-CG2 4.36Å; S198-V273 WeakPolarHBondContact O-CB 3.42Å; L200-V273 HydrophobicContact CD2-CG1 3.74Å; L200-V273 HydrophobicContact CG-CG1 4.34Å; K266-V273 WeakPolarHBondContact CB-O 3.44Å; K266-V273 WeakPolarHBondContact O-CG2 3.38Å; K266-V273 PolarHBondContact O-N 3.26Å; L268-V273 HydrophobicContact CB-CG1 4.08Å; L268-V273 HydrophobicContact CB-CG2 3.97Å; L268-V273 HydrophobicContact CD1-CG2 4Å; L268-V273 HydrophobicContact CG-CG2 3.7Å; T271-V273 PolarHBondContact O-N 2.93Å; V273-V275 HydrophobicContact CG2-CG2 4.04Å
274	S	87	Confident	75.7	Confident	59 Å²	59	61.1 Å²	61.1	41%	0.413	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.7	165.5	-165.7	0	0	0	0	110.3	I197 S198 D199	I197-S274 WeakPolarHBondContact CA-O 3.37Å; S198-S274 PolarHBondContact N-O 2.93Å; S198-S274 WeakPolarHBondContact OG-CB 3.29Å; D199-S274 WeakPolarHBondContact OD2-CB 3.2Å; D199-S274 PolarHBondContact OD2-N 3.1Å
275	V	90.9	Very high	74.8	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.048	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.9	-178.5	-174.9	0	0	0	0	110.1	L195 K196 I197 Y258 I261 V273	L195-V275 HydrophobicContact CB-CG1 4.17Å; L195-V275 HydrophobicContact CD1-CG1 4.1Å; L195-V275 HydrophobicContact CD2-CG1 4.13Å; L195-V275 HydrophobicContact CG-CG1 4.37Å; K196-V275 WeakPolarHBondContact O-CA 3.25Å; I197-V275 HydrophobicContact CG1-CG1 4.28Å; I197-V275 HydrophobicContact CG1-CG2 4.21Å; I197-V275 HydrophobicContact CG2-CG2 4.17Å; Y258-V275 HydrophobicContact CD2-CG1 4.24Å; Y258-V275 WeakPolarHBondContact CE2-O 3.3Å; I261-V275 HydrophobicContact CD1-CG2 4.26Å; I261-V275 HydrophobicContact CG2-CG2 3.92Å; V273-V275 HydrophobicContact CG2-CG2 4.04Å
276	E	89.8	Confident	73.7	Confident	99 Å²	99	64.4 Å²	64.4	46%	0.463	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.5	-177	-178.4	173.7	-145.4	0	0	110.2	L195 K196 H278	L195-E276 CarbonylContact C-O 3.52Å; L195-E276 WeakPolarHBondContact CA-O 3.35Å; K196-E276 HydrophobicContact CB-CB 4.44Å; K196-E276 WeakPolarHBondContact CD-OE2 3.34Å; K196-E276 PolarHBondContact N-O 2.86Å; K196-E276 IonicContact NZ-OE2 3.45Å; K196-E276 PolarHBondContact NZ-OE2 2.66Å; K196-E276 PolarHBondContact O-N 3Å; E276-H278 PolarHBondContact O-N 2.83Å
277	L	91	Very high	72.2	Confident	40 Å²	40	67 Å²	67	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.5	174.1	-79.1	166	0	0	0	110.3	Y192 L195 Y258	Y192-L277 HydrophobicContact CD1-CB 3.77Å; Y192-L277 WeakPolarHBondContact CD1-O 3.4Å; Y192-L277 HydrophobicContact CE1-CB 4.43Å; Y192-L277 HydrophobicContact CG-CB 3.91Å; L195-L277 HydrophobicContact CD2-CD2 3.95Å; Y258-L277 HydrophobicContact CD1-CD1 4.04Å; Y258-L277 HydrophobicContact CD1-CG 4.12Å; Y258-L277 HydrophobicContact CD2-CD2 4.27Å; Y258-L277 HydrophobicContact CD2-CG 3.81Å; Y258-L277 HydrophobicContact CE1-CD1 4.09Å; Y258-L277 HydrophobicContact CE1-CG 4.34Å; Y258-L277 HydrophobicContact CE2-CG 4.05Å; Y258-L277 HydrophobicContact CG-CD1 4.26Å; Y258-L277 HydrophobicContact CG-CD2 4.01Å; Y258-L277 HydrophobicContact CG-CG 3.82Å
278	H	87	Confident	70.1	Confident	40 Å²	40	66 Å²	66	19%	0.185	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.2	-179.7	-165.9	-105.5	0	0	0	110.4	Y192 R193 G194 K196 I245 E276 G280	Y192-H278 CarbonylContact C-O 3.59Å; Y192-H278 WeakPolarHBondContact CA-O 3.5Å; R193-H278 PolarHBondContact N-O 2.86Å; G194-H278 CarbonylContact C-O 3.58Å; G194-H278 PolarHBondContact N-O 3.46Å; G194-H278 PolarHBondContact O-N 3.05Å; G194-H278 VanDerWaalsContact O-O 3.06Å; K196-H278 HydrophobicContact CB-CB 4.11Å; I245-H278 WeakPolarHBondContact CG2-ND1 3.47Å; E276-H278 PolarHBondContact O-N 2.83Å; H278-G280 PolarHBondContact ND1-N 3.5Å; H278-G280 VanDerWaalsContact ND1-N 3.15Å; H278-G280 PolarHBondContact O-N 3.15Å; H278-G280 VanDerWaalsContact O-N 3.08Å
279	P	80.1	Confident	68.1	Low	77 Å²	77	72.5 Å²	72.5	50%	0.5	41%	0.414	S	S	.	.			trans	-56.4	-25.3	174	20.3	-32.7	0	0	0	113.4	S191 R193	S191-P279 VanDerWaalsContact O-CA 3.24Å; S191-P279 WeakPolarHBondContact O-CA 3.42Å; R193-P279 WeakPolarHBondContact CB-O 3.46Å; R193-P279 PolarHBondContact N-O 3.37Å
280	G	65.2	Low	65.8	Low	16 Å²	16	78 Å²	78	17%	0.165	44%	0.438	C	S	.	.			trans	95	132.6	-174.6	0	0	0	0	0	110	H278	H278-G280 PolarHBondContact ND1-N 3.5Å; H278-G280 VanDerWaalsContact ND1-N 3.15Å; H278-G280 PolarHBondContact O-N 3.15Å; H278-G280 VanDerWaalsContact O-N 3.08Å
281	T	61.2	Low	63.5	Low	32 Å²	32	82.8 Å²	82.8	20%	0.196	44%	0.438	C	S	.	.			trans	-82	120.2	172.7	44	0	0	0	0	108.9	I245 T247 V283	I245-T281 HydrophobicContact CD1-CG2 4.41Å; T247-T281 PolarHBondContact OG1-N 2.97Å; T281-V283 PolarHBondContact O-N 3.49Å
282	N	53.2	Low	61.3	Low	94 Å²	94	86.3 Å²	86.3	50%	0.503	46%	0.464	S	S	.	.			trans	-70.5	120.1	156.9	-69.1	-47.1	0	0	0	106.1	N284 D285	N282-N284 PolarHBondContact O-N 3.31Å; N282-D285 PolarHBondContact O-N 2.84Å
283	V	50.7	Low	59	Low	72 Å²	72	86.4 Å²	86.4	44%	0.436	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	8.5	-174.2	-69.8	0	0	0	0	114.9	T281	T281-V283 PolarHBondContact O-N 3.49Å
284	N	44.7	Very low	56.3	Low	124 Å²	124	90.3 Å²	90.3	66%	0.663	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-27.4	170.4	-60.4	6.4	0	0	0	112.1	N282 S288	N282-N284 PolarHBondContact O-N 3.31Å; N284-S288 PolarHBondContact O-OG 3.17Å
285	D	45.8	Very low	53.6	Low	90 Å²	90	93.2 Å²	93.2	48%	0.481	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-27.6	-175.8	-64.1	-48.3	0	0	0	112.3	N282 L287 S288 L289	N282-D285 PolarHBondContact O-N 2.84Å; D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.28Å; D285-S288 WeakPolarHBondContact O-CA 3.31Å; D285-S288 WeakPolarHBondContact O-CB 3.42Å; D285-S288 PolarHBondContact O-N 2.83Å; D285-L289 PolarHBondContact O-N 3.39Å
286	E	40.2	Very low	50.7	Low	105 Å²	105	98.5 Å²	98.5	49%	0.491	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-28.3	179.9	-158.6	170.4	137	0	0	112.7	S288	E286-S288 VanDerWaalsContact C-N 3.3Å
287	L	42.1	Very low	48.2	Very low	134 Å²	134	100 Å²	100	70%	0.702	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-12.6	171	-76.7	165.8	0	0	0	113.6	D285	D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.28Å
288	S	37.5	Very low	45.5	Very low	80 Å²	80	105.8 Å²	105.8	56%	0.559	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-18	-176.7	-60.1	0	0	0	0	113.2	N284 D285 E286	N284-S288 PolarHBondContact O-OG 3.17Å; D285-S288 WeakPolarHBondContact O-CA 3.31Å; D285-S288 WeakPolarHBondContact O-CB 3.42Å; D285-S288 PolarHBondContact O-N 2.83Å; E286-S288 VanDerWaalsContact C-N 3.3Å
289	L	39.7	Very low	43	Very low	143 Å²	143	110.8 Å²	110.8	75%	0.749	64%	0.637	S	S	*	*	S	Bend	trans	-103.3	-2.8	-178.7	-77	162.4	0	0	0	114.6	D285	D285-L289 PolarHBondContact O-N 3.39Å
290	K	37.4	Very low	40.7	Very low	174 Å²	174	110.3 Å²	110.3	76%	0.757	65%	0.645	S	S	*	*	S	Bend	trans	-119.6	23.4	179.2	-148.8	177	-176.7	-179.3	0	113.4
291	R	34.4	Very low	39.1	Very low	218 Å²	218	116.4 Å²	116.4	82%	0.823	68%	0.675	S	S	*	*	S	Bend	trans	-136.7	11.9	-175	-132.5	177.5	-170.3	-169.8	1.7	115
292	S	36.1	Very low	37.7	Very low	102 Å²	102	120.9 Å²	120.9	71%	0.713	70%	0.702	S	S	*	*	S	Bend	trans	-117.9	10.4	179.8	49.3	0	0	0	0	113.2
293	S	35.6	Very low	36.7	Very low	102 Å²	102	122.7 Å²	122.7	71%	0.713	72%	0.716	S	S	*	*	S	Bend	trans	-142.1	25.9	-173.5	49	0	0	0	0	113.5
294	A	32.8	Very low	35.5	Very low	88 Å²	88	128.7 Å²	128.7	73%	0.727	74%	0.737	S	S	*	*	S	Bend	trans	-162.8	159.7	163.8	0	0	0	0	0	108.8
295	S	30	Very low	35.1	Very low	120 Å²	120	128.3 Å²	128.3	84%	0.839	74%	0.741	S	S	*	*			trans	83.4	68.9	-179.6	-170.4	0	0	0	0	117.1
296	S	30.8	Very low	34.3	Very low	119 Å²	119	130.7 Å²	130.7	83%	0.832	75%	0.754	S	S	*	*			trans	-131.3	76.9	147.9	-179.3	0	0	0	0	109.5
297	T	37.5	Very low	34.1	Very low	131 Å²	131	130.4 Å²	130.4	80%	0.804	76%	0.763	S	S	*	*	S	Bend	trans	-152.9	154.8	169.1	-19.7	0	0	0	0	109.1
298	L	34.2	Very low	33.6	Very low	161 Å²	161	131 Å²	131	84%	0.843	77%	0.767	S	S	*	*			trans	-56.6	149	-153.3	-86.2	54	0	0	0	117.3
299	V	34.2	Very low	33.4	Very low	145 Å²	145	132.2 Å²	132.2	88%	0.879	78%	0.776	S	S	*	*			trans	-69.8	129.3	151.2	178.5	0	0	0	0	107.8
300	G	31.7	Very low	33.1	Very low	66 Å²	66	130.5 Å²	130.5	68%	0.68	78%	0.776	S	S	*	*			trans	-161.3	38.3	-167.5	0	0	0	0	0	117.4
301	N	31.1	Very low	32.9	Very low	145 Å²	145	127.6 Å²	127.6	78%	0.775	78%	0.778	S	S	*	*			trans	63.4	148	164.4	-63.1	-7.9	0	0	0	120.3
302	T	31.7	Very low	32.7	Very low	126 Å²	126	120.5 Å²	120.5	77%	0.773	77%	0.772	S	S	*	*			trans	25.1	124.8	147.2	59.8	0	0	0	0	119
303	T	31.5	Very low	32.4	Very low	131 Å²	131	121.1 Å²	121.1	80%	0.804	78%	0.776	S	S	*	*				-160.3	161.7	53.8	-58.8	0	0	0	0	114.3
304	K	27.4	Very low	32.2	Very low	198 Å²	198	120.1 Å²	120.1	86%	0.861	77%	0.769	S	S	*	*			trans	-34.4	165.9	159.4	-96.6	-177	176.6	178.4	0	117.1
305	P	34.6	Very low	32.1	Very low	117 Å²	117	123.3 Å²	123.3	76%	0.76	77%	0.774	S	S	*	*				-135.2	-148.6	-120.2	44.5	-25.8	0	0	0	113.3
306	N	29.1	Very low	32.1	Very low	139 Å²	139	121.9 Å²	121.9	74%	0.743	76%	0.764	S	S	*	*			trans	101.7	160.1	150.6	-153.9	21	0	0	0	117.8
307	S	36.1	Very low	32	Very low	99 Å²	99	123.7 Å²	123.7	69%	0.692	76%	0.764	S	S	*	*			trans	63.1	124.1	-175.1	21	0	0	0	0	115.2
308	N	31.4	Very low	31.8	Very low	147 Å²	147	123.5 Å²	123.5	79%	0.786	76%	0.763	S	S	*	*			cis	78.4	155.3	42.5	-66	-11.1	0	0	0	114
309	S	33.5	Very low	31.7	Very low	106 Å²	106	119.7 Å²	119.7	74%	0.741	75%	0.75	S	S	*	*			trans	66.1	109.8	-165.8	61.2	0	0	0	0	112.5
310	S	34.7	Very low	31.5	Very low	107 Å²	107	119.1 Å²	119.1	75%	0.748	74%	0.742	S	S	*	*				67.7	138.7	67.8	79.2	0	0	0	0	111.1
311	S	32.7	Very low	31.9	Very low	113 Å²	113	121.7 Å²	121.7	79%	0.79	75%	0.745	S	S	*	*			cis	163.9	147.2	5.4	43.6	0	0	0	0	104
312	G	29.7	Very low	32	Very low	68 Å²	68	121.1 Å²	121.1	70%	0.701	74%	0.741	S	S	*	*			trans	123.2	135	-171.2	0	0	0	0	0	109
313	S	30.7	Very low	32	Very low	115 Å²	115	122.6 Å²	122.6	80%	0.804	74%	0.741	S	S	*	*			cis	70.2	128.1	40.8	-148.6	0	0	0	0	111.1
314	S	30.4	Very low	32.2	Very low	82 Å²	82	122.2 Å²	122.2	57%	0.573	73%	0.734	S	S	*	*			cis	-176.9	142.9	-8	37.2	0	0	0	0	109.3
315	N	31	Very low	32.4	Very low	154 Å²	154	116.7 Å²	116.7	82%	0.824	72%	0.72	S	S	*	*			trans	62.3	174.6	171.5	-43.6	-22.3	0	0	0	112.1
316	S	30.5	Very low	32.3	Very low	91 Å²	91	117.9 Å²	117.9	64%	0.636	72%	0.72	S	S	*	*			cis	-151	154.7	-4.7	-5.3	0	0	0	0	109.5
317	N	29.2	Very low	32.5	Very low	156 Å²	156	116 Å²	116	83%	0.834	72%	0.717	S	S	*	*			trans	32.2	99	137.6	-46.4	-1.3	0	0	0	119.2
318	T	33.1	Very low	32.2	Very low	127 Å²	127	117.5 Å²	117.5	78%	0.779	72%	0.723	S	S	*	*				-158.6	111.1	123.3	42.2	0	0	0	0	105.2
319	S	31.1	Very low	32.2	Very low	82 Å²	82	115.1 Å²	115.1	57%	0.573	72%	0.717	S	S	*	*				69.2	145.7	68.7	76	0	0	0	0	112.7
320	D	30.6	Very low	32.1	Very low	133 Å²	133	116.1 Å²	116.1	71%	0.711	72%	0.719	S	S	*	*			trans	69.5	134.6	169.3	-36.8	-54.8	0	0	0	113.7
321	T	40.3	Very low	31.8	Very low	120 Å²	120	117.5 Å²	117.5	74%	0.736	72%	0.723	S	S	*	*			cis	-143.5	111.1	12.5	-71.2	0	0	0	0	106
322	L	31.8	Very low	31.7	Very low	132 Å²	132	117.8 Å²	117.8	69%	0.691	72%	0.721	S	S	*	*				69.7	131.2	91.4	-74.3	165.5	0	0	0	115.5
323	M	33.4	Very low	31.9	Very low	158 Å²	158	119.6 Å²	119.6	78%	0.778	72%	0.718	S	S	*	*			trans	64.3	150	165.9	-53.6	-54	171.3	0	0	116
324	N	35.1	Very low	32.2	Very low	123 Å²	123	120.9 Å²	120.9	66%	0.658	72%	0.716	S	S	*	*			cis	-144.3	142.5	-1.5	-128.5	0.8	0	0	0	106
325	S	32.5	Very low	32.3	Very low	81 Å²	81	122.3 Å²	122.3	57%	0.566	72%	0.721	S	S	*	*				50.8	135.7	61	122.4	0	0	0	0	111.8
326	L	32	Very low	32.5	Very low	143 Å²	143	120.2 Å²	120.2	75%	0.749	71%	0.714	S	S	*	*			cis	-145.7	140.9	21.1	-139.4	53.8	0	0	0	105.4
327	S	32.1	Very low	32.7	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	72%	0.717	S	S	*	*				57.4	99.2	58.3	-58.6	0	0	0	0	114.5
328	T	29.7	Very low	33	Very low	131 Å²	131	119.3 Å²	119.3	80%	0.804	71%	0.711	S	S	*	*			trans	-138.4	87.4	157.7	-31.7	0	0	0	0	105.4
329	S	32.7	Very low	33.1	Very low	96 Å²	96	118.9 Å²	118.9	67%	0.671	71%	0.708	S	S	*	*				61.2	137.2	79.7	98.2	0	0	0	0	111.5
330	T	29.9	Very low	33.3	Very low	128 Å²	128	119.7 Å²	119.7	79%	0.785	71%	0.71	S	S	*	*				-125.3	149.3	67	42	0	0	0	0	115.5
331	T	28.9	Very low	33.4	Very low	136 Å²	136	116.5 Å²	116.5	83%	0.834	70%	0.695	S	S	*	*			trans	-141.1	124.5	156.5	-61.9	0	0	0	0	107.3
332	T	32.1	Very low	33.3	Very low	119 Å²	119	116 Å²	116	73%	0.73	68%	0.684	S	S	*	*			trans	-120.5	137.5	173.4	22.8	0	0	0	0	106.9
333	T	33.6	Very low	33.2	Very low	105 Å²	105	112 Å²	112	64%	0.644	67%	0.668	S	S	*	*			cis	-168.7	170.2	-12.4	-1.4	0	0	0	0	107.2
334	N	36.5	Very low	33.2	Very low	142 Å²	142	107.5 Å²	107.5	76%	0.759	66%	0.661	S	S	*	*			trans	71.4	147.5	152.9	-65.9	1.4	0	0	0	119.8
335	T	32.6	Very low	33.1	Very low	112 Å²	112	108.6 Å²	108.6	69%	0.687	67%	0.666	S	S	*	*			cis	-160.7	169.3	-37.7	-29.4	0	0	0	0	108.9
336	T	35.2	Very low	33	Very low	110 Å²	110	111.3 Å²	111.3	68%	0.675	68%	0.675	S	S	*	*			trans	84.1	87.8	142.6	-58	0	0	0	0	120.2
337	T	34.9	Very low	33	Very low	113 Å²	113	112.7 Å²	112.7	69%	0.693	68%	0.675	S	S	*	*				64.7	127.6	127.2	65.9	0	0	0	0	124.6
338	T	34.3	Very low	32.8	Very low	116 Å²	116	113.5 Å²	113.5	71%	0.712	68%	0.676	S	S	*	*				81.6	124.5	127.3	54.6	0	0	0	0	124.2
339	T	35.2	Very low	33.1	Very low	117 Å²	117	112.8 Å²	112.8	72%	0.718	67%	0.671	S	S	*	*			trans	80.4	117.3	131.8	51.2	0	0	0	0	123.7
340	T	35.8	Very low	32.9	Very low	100 Å²	100	114.8 Å²	114.8	61%	0.613	67%	0.674	S	S	*	*				86.2	107.5	121.8	-58.8	0	0	0	0	121.3
341	T	33.2	Very low	32.9	Very low	65 Å²	65	113.5 Å²	113.5	40%	0.399	67%	0.67	S	S	.	*			trans	67.2	154.7	154.5	69.2	0	0	0	0	118	D895 T896 P897	T341-D895 WeakPolarHBondContact CB-OD1 3.28Å; T341-D895 HydrophobicContact CG2-CB 4.04Å; T341-D895 VanDerWaalsContact CG2-CG 3.43Å; T341-D895 WeakPolarHBondContact CG2-OD1 3.11Å; T341-T896 VanDerWaalsContact CA-O 3.31Å; T341-T896 WeakPolarHBondContact CA-O 3.34Å; T341-T896 PolarHBondContact N-O 2.81Å; T341-P897 VanDerWaalsContact O-CB 3.3Å; T341-P897 WeakPolarHBondContact O-CB 3.43Å; T341-P897 WeakPolarHBondContact O-CG 3.39Å
342	Q	37	Very low	33.1	Very low	109 Å²	109	115.8 Å²	115.8	51%	0.509	67%	0.671	S	S	.	*			cis	-112.9	-166.3	10.9	-73.6	-103.1	-107.7	0	0	114.7	T894 D895 T896	Q342-T894 PolarHBondContact NE2-OG1 3.48Å; Q342-D895 WeakPolarHBondContact CA-OD1 3.42Å; Q342-D895 PolarHBondContact NE2-OD1 2.79Å; Q342-T896 WeakPolarHBondContact O-CA 3.19Å; Q342-T896 WeakPolarHBondContact O-CB 3.48Å; Q342-T896 PolarHBondContact O-N 2.78Å; Q342-T896 PolarHBondContact O-OG1 3.25Å
343	S	31.2	Very low	33	Very low	50 Å²	50	114.9 Å²	114.9	35%	0.35	67%	0.67	S	S	.	*			trans	-139.3	168.6	170.8	173.4	0	0	0	0	110.8	T894 D895	S343-T894 WeakPolarHBondContact O-CG2 3.48Å; S343-D895 VanDerWaalsContact CB-CA 3.41Å
344	G	32.3	Very low	33.1	Very low	62 Å²	62	116 Å²	116	64%	0.639	68%	0.676	S	S	*	*			trans	117.6	103.6	169.2	0	0	0	0	0	113.5
345	L	32.6	Very low	32.7	Very low	146 Å²	146	117.3 Å²	117.3	76%	0.764	68%	0.684	S	S	*	*				83.5	129.3	56.2	-71.6	167.5	0	0	0	114.9
346	N	31.7	Very low	32.9	Very low	139 Å²	139	119.6 Å²	119.6	74%	0.743	69%	0.691	S	S	*	*			trans	74.9	150.8	147.8	-67.5	-28.6	0	0	0	119.8
347	K	30.9	Very low	32.9	Very low	171 Å²	171	121.7 Å²	121.7	74%	0.743	70%	0.699	S	S	*	*			cis	-175.8	155.1	-25	-163.7	-172.6	173.7	-177.3	0	109.9
348	T	29.2	Very low	33	Very low	116 Å²	116	124 Å²	124	71%	0.712	70%	0.701	S	S	*	*			trans	85.1	153.9	150.7	-16.5	0	0	0	0	119.4
349	V	34.9	Very low	32.9	Very low	116 Å²	116	125.7 Å²	125.7	70%	0.703	71%	0.705	S	S	*	*			trans	92.5	110.2	162.2	-168.7	0	0	0	0	117.6
350	N	29.7	Very low	32.7	Very low	138 Å²	138	126.1 Å²	126.1	74%	0.738	71%	0.713	S	S	*	*			trans	53.4	109.6	151.8	-58.5	2.1	0	0	0	118.9
351	S	29.3	Very low	32.9	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	71%	0.71	S	S	*	*				76	106.9	76.4	-62.8	0	0	0	0	114.4
352	H	32.6	Very low	32.9	Very low	184 Å²	184	128.6 Å²	128.6	85%	0.852	72%	0.72	S	S	*	*				-173.3	138	119.9	-102.4	-73.4	0	0	0	112.5
353	S	30.4	Very low	32.8	Very low	100 Å²	100	130 Å²	130	70%	0.699	73%	0.731	S	S	*	*	S	Bend	trans	59.5	136.5	157.2	46.7	0	0	0	0	122.5
354	T	35.3	Very low	33	Very low	127 Å²	127	134.4 Å²	134.4	78%	0.779	74%	0.744	S	S	*	*			trans	64.4	103.2	159.1	46.5	0	0	0	0	118.2	D356	T354-D356 PolarHBondContact O-N 3.39Å
355	D	29.2	Very low	33.2	Very low	171 Å²	171	134.9 Å²	134.9	91%	0.914	73%	0.734	S	S	*	*			trans	-83	97.4	-173.9	-45.9	-96.4	0	0	0	114.4
356	D	36.8	Very low	33.4	Very low	159 Å²	159	132 Å²	132	85%	0.85	72%	0.719	S	S	*	*			trans	-126.4	88.5	169.3	-97.5	-49	0	0	0	111.8	T354	T354-D356 PolarHBondContact O-N 3.39Å
357	D	34.7	Very low	33.7	Very low	154 Å²	154	129.2 Å²	129.2	82%	0.824	71%	0.707	S	S	*	*			trans	-175	125.9	142	-111	-30.2	0	0	0	108.4
358	H	37.1	Very low	34	Very low	163 Å²	163	125.1 Å²	125.1	76%	0.755	70%	0.696	S	S	*	*			cis	92.5	157.3	41.7	-132.6	-104.2	0	0	0	114.6
359	L	32.9	Very low	34.6	Very low	150 Å²	150	122 Å²	122	79%	0.785	68%	0.677	S	S	*	*	S	Bend	trans	65.8	51.3	-179.9	-73.2	86.8	0	0	0	120.1
360	S	30.8	Very low	35.4	Very low	126 Å²	126	119.6 Å²	119.6	88%	0.881	66%	0.66	S	S	*	*	S	Bend	trans	-150.7	5.7	149.2	-151.8	0	0	0	0	116.6
361	N	39.2	Very low	37.1	Very low	104 Å²	104	120.8 Å²	120.8	56%	0.556	66%	0.659	S	S	*	*			trans	-102	-2.1	-165.4	-119.9	-35.6	0	0	0	116.2	N363 K364 T365	N361-N363 VanDerWaalsContact C-N 3.35Å; N361-N363 PolarHBondContact O-N 3.23Å; N361-K364 PolarHBondContact O-N 3.11Å; N361-T365 PolarHBondContact O-N 3.13Å
362	N	33.9	Very low	39.5	Very low	113 Å²	113	117.3 Å²	117.3	60%	0.604	64%	0.635	S	S	*	*	H	α-helix	trans	-60.9	-34.6	-166.8	-73.4	-8	0	0	0	114.7	K364 T365 I366	N362-K364 VanDerWaalsContact C-N 3.32Å; N362-K364 PolarHBondContact O-N 3.32Å; N362-T365 PolarHBondContact O-OG1 2.88Å; N362-I366 WeakPolarHBondContact O-CD1 3.46Å; N362-I366 VanDerWaalsContact O-CG1 3.27Å; N362-I366 WeakPolarHBondContact O-CG1 3.44Å; N362-I366 PolarHBondContact O-N 2.91Å
363	N	34.5	Very low	42.2	Very low	138 Å²	138	110.3 Å²	110.3	74%	0.738	61%	0.605	S	S	*	*	H	α-helix	trans	-70	-30.3	177	-74.1	-17.2	0	0	0	112.3	N361 T367	N361-N363 VanDerWaalsContact C-N 3.35Å; N361-N363 PolarHBondContact O-N 3.23Å; N363-T367 PolarHBondContact O-N 3.4Å
364	K	34.5	Very low	45.3	Very low	143 Å²	143	105.6 Å²	105.6	62%	0.622	57%	0.572	S	S	*	*	H	α-helix	trans	-76.9	-40.9	-177.2	-161.6	173.7	-176.2	-179.4	0	111.6	N361 N362 T367	N361-K364 PolarHBondContact O-N 3.11Å; N362-K364 VanDerWaalsContact C-N 3.32Å; N362-K364 PolarHBondContact O-N 3.32Å; K364-T367 PolarHBondContact O-N 2.81Å; K364-T367 PolarHBondContact O-OG1 3.22Å
365	T	37.1	Very low	48.1	Very low	72 Å²	72	99.7 Å²	99.7	44%	0.442	54%	0.536	S	S	.	.	H	α-helix	trans	-60.2	-46.8	174.1	51.8	0	0	0	0	111	N361 N362 T367 T368 V369	N361-T365 PolarHBondContact O-N 3.13Å; N362-T365 PolarHBondContact O-OG1 2.88Å; T365-T367 VanDerWaalsContact C-N 3.31Å; T365-T367 PolarHBondContact O-N 2.84Å; T365-T368 WeakPolarHBondContact O-CB 3.31Å; T365-T368 PolarHBondContact O-N 3.25Å; T365-T368 PolarHBondContact O-OG1 2.96Å; T365-V369 WeakPolarHBondContact O-CG2 3.35Å; T365-V369 PolarHBondContact O-N 3.27Å
366	I	37.5	Very low	51.2	Low	85 Å²	85	92 Å²	92	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-50.9	-45.6	177.6	-70.9	167.5	0	0	0	112.4	N362 T368 V369 N370	N362-I366 WeakPolarHBondContact O-CD1 3.46Å; N362-I366 VanDerWaalsContact O-CG1 3.27Å; N362-I366 WeakPolarHBondContact O-CG1 3.44Å; N362-I366 PolarHBondContact O-N 2.91Å; I366-T368 PolarHBondContact O-N 2.84Å; I366-T368 VanDerWaalsContact O-N 3.11Å; I366-V369 PolarHBondContact O-N 3.2Å; I366-V369 VanDerWaalsContact O-N 3.13Å; I366-N370 PolarHBondContact O-N 2.8Å; I366-N370 PolarHBondContact O-OD1 3.25Å
367	T	36.5	Very low	54.1	Low	81 Å²	81	84.4 Å²	84.4	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-21.9	178.9	67.4	0	0	0	0	114.4	N363 K364 T365	N363-T367 PolarHBondContact O-N 3.4Å; K364-T367 PolarHBondContact O-N 2.81Å; K364-T367 PolarHBondContact O-OG1 3.22Å; T365-T367 VanDerWaalsContact C-N 3.31Å; T365-T367 PolarHBondContact O-N 2.84Å
368	T	37.6	Very low	57	Low	85 Å²	85	79.6 Å²	79.6	52%	0.521	43%	0.427	S	S	.	.	H	α-helix	trans	-84.4	-37.1	175.5	70.3	0	0	0	0	112.3	T365 I366 N370 K371	T365-T368 WeakPolarHBondContact O-CB 3.31Å; T365-T368 PolarHBondContact O-N 3.25Å; T365-T368 PolarHBondContact O-OG1 2.96Å; I366-T368 PolarHBondContact O-N 2.84Å; I366-T368 VanDerWaalsContact O-N 3.11Å; T368-N370 PolarHBondContact O-N 2.88Å; T368-K371 PolarHBondContact O-N 2.73Å
369	V	42.5	Very low	59.8	Low	51 Å²	51	71.8 Å²	71.8	31%	0.309	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-34.1	178.7	-161.4	0	0	0	0	111.4	T365 I366 K371 S372	T365-V369 WeakPolarHBondContact O-CG2 3.35Å; T365-V369 PolarHBondContact O-N 3.27Å; I366-V369 PolarHBondContact O-N 3.2Å; I366-V369 VanDerWaalsContact O-N 3.13Å; V369-K371 PolarHBondContact O-N 2.74Å; V369-S372 WeakPolarHBondContact O-CB 3.49Å; V369-S372 PolarHBondContact O-N 3.19Å; V369-S372 PolarHBondContact O-OG 3.31Å
370	N	51.7	Low	62.7	Low	66 Å²	66	65.7 Å²	65.7	35%	0.353	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-10.5	177.9	-64.2	-12.8	0	0	0	114.7	I366 T368	I366-N370 PolarHBondContact O-N 2.8Å; I366-N370 PolarHBondContact O-OD1 3.25Å; T368-N370 PolarHBondContact O-N 2.88Å
371	K	64.9	Low	65.5	Low	162 Å²	162	61 Å²	61	70%	0.704	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.5	174.2	-60.5	175	-174.4	172.8	0	113	T368 V369	T368-K371 PolarHBondContact O-N 2.73Å; V369-K371 PolarHBondContact O-N 2.74Å
372	S	80.2	Confident	67.9	Low	29 Å²	29	56.9 Å²	56.9	20%	0.203	31%	0.312	C	S	.	.	S	Bend	trans	-79.5	136.3	175.2	70.5	0	0	0	0	110.4	V369 T374 Y450	V369-S372 WeakPolarHBondContact O-CB 3.49Å; V369-S372 PolarHBondContact O-N 3.19Å; V369-S372 PolarHBondContact O-OG 3.31Å; S372-T374 PolarHBondContact O-N 2.81Å; S372-Y450 WeakPolarHBondContact O-CB 3.38Å
373	P	89.9	Confident	70.2	Confident	37 Å²	37	52.8 Å²	52.8	24%	0.24	29%	0.291	C	S	.	.			trans	-64.6	134	173.7	-22.2	33.8	0	0	0	111.6	I428 Y450	P373-I428 HydrophobicContact CB-CD1 3.83Å; P373-I428 HydrophobicContact CB-CG1 3.69Å; P373-I428 HydrophobicContact CG-CD1 4.27Å; P373-I428 HydrophobicContact CG-CG1 4.16Å; P373-Y450 HydrophobicContact CB-CE1 4.26Å; P373-Y450 HydrophobicContact CB-CE2 4.19Å; P373-Y450 HydrophobicContact CG-CE2 4.08Å
374	T	93.9	Very high	72.4	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	29%	0.286	C	S	.	.			trans	-122.5	-176.4	173.1	63.4	0	0	0	0	109.7	S372 T376 P427 T451	S372-T374 PolarHBondContact O-N 2.81Å; T374-T376 PolarHBondContact OG1-N 3.12Å; T374-T376 PolarHBondContact OG1-O 2.8Å; T374-P427 WeakPolarHBondContact O-CG 3.42Å; T374-T451 WeakPolarHBondContact CB-O 3.49Å; T374-T451 WeakPolarHBondContact CG2-O 3.5Å; T374-T451 PolarHBondContact OG1-O 3.47Å
375	R	94.4	Very high	74.4	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.011	27%	0.265	C	S	.	.	S	Bend	trans	-82.6	-12.4	168.4	-64.3	166.7	-58.4	151.1	13.2	113.8	F421 M424 P427 S453 D574 F575 A576	R375-F421 PolarHBondContact O-N 2.76Å; R375-M424 HydrophobicContact CG-CG 3.79Å; R375-P427 WeakPolarHBondContact O-CG 3.43Å; R375-S453 PolarHBondContact N-OG 3.24Å; R375-S453 VanDerWaalsContact NH2-CB 3.34Å; R375-D574 VanDerWaalsContact CG-OD2 3.29Å; R375-D574 WeakPolarHBondContact CG-OD2 3.44Å; R375-D574 IonicContact CZ-OD2 3.89Å; R375-D574 PolarHBondContact N-OD2 3.25Å; R375-D574 IonicContact NE-OD2 2.71Å; R375-D574 PolarHBondContact NE-OD2 2.79Å; R375-D574 IonicContact NH2-OD2 3.15Å; R375-F575 PolarHBondContact NE-O 3.46Å; R375-F575 PolarHBondContact NH1-O 3.39Å; R375-F575 VanDerWaalsContact NH1-O 3.07Å; R375-F575 PolarHBondContact NH2-O 2.87Å; R375-A576 PolarHBondContact NH1-O 2.98Å
376	T	95.5	Very high	76.2	Confident	9 Å²	9	48.4 Å²	48.4	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.7	-175.2	-56.8	0	0	0	0	111.1	T374 L418 I419 T451 S453	T374-T376 PolarHBondContact OG1-N 3.12Å; T374-T376 PolarHBondContact OG1-O 2.8Å; T376-L418 HydrophobicContact CG2-CB 4.24Å; T376-L418 HydrophobicContact CG2-CD2 4.29Å; T376-I419 WeakPolarHBondContact CA-O 3.45Å; T376-T451 PolarHBondContact O-N 3.41Å; T376-S453 WeakPolarHBondContact CB-OG 3.49Å; T376-S453 PolarHBondContact N-OG 3.28Å; T376-S453 WeakPolarHBondContact OG1-CA 3.3Å; T376-S453 WeakPolarHBondContact OG1-CB 3.45Å; T376-S453 PolarHBondContact OG1-OG 2.96Å
377	L	96	Very high	78.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123	178.8	-169.8	76.5	0	0	0	109.4	V379 F399 I419 F421 P427 A430 M431 L448 Y450	L377-V379 HydrophobicContact CD2-CG2 4.11Å; L377-V379 HydrophobicContact CG-CG2 4.28Å; L377-F399 HydrophobicContact CD2-CD1 4.05Å; L377-F399 HydrophobicContact CD2-CE1 3.68Å; L377-I419 PolarHBondContact N-O 2.92Å; L377-I419 PolarHBondContact O-N 3Å; L377-F421 HydrophobicContact CB-CE2 4.22Å; L377-F421 HydrophobicContact CD2-CE2 4.38Å; L377-P427 HydrophobicContact CB-CB 4.36Å; L377-P427 HydrophobicContact CB-CG 4.38Å; L377-P427 HydrophobicContact CD1-CB 4.22Å; L377-A430 HydrophobicContact CD2-CB 3.86Å; L377-M431 HydrophobicContact CD1-CE 3.97Å; L377-L448 HydrophobicContact CD1-CB 4.37Å; L377-L448 HydrophobicContact CD2-CD1 4.35Å; L377-L448 HydrophobicContact CD2-CD2 4.22Å; L377-Y450 HydrophobicContact CD1-CD1 4.33Å; L377-Y450 HydrophobicContact CD1-CE1 4.4Å
378	H	96.2	Very high	80.5	Confident	53 Å²	53	46.8 Å²	46.8	25%	0.245	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.2	165.9	-179.7	-121.7	0	0	0	109.8	S416 A417 L418 L448 A449 T451	H378-S416 VanDerWaalsContact NE2-CB 3.27Å; H378-S416 WeakPolarHBondContact NE2-CB 3.49Å; H378-S416 PolarHBondContact NE2-OG 2.86Å; H378-A417 WeakPolarHBondContact CA-O 3.35Å; H378-A417 PolarHBondContact CD2-O 3.44Å; H378-A417 VanDerWaalsContact CD2-O 3.3Å; H378-L418 HydrophobicContact CB-CD2 3.88Å; H378-L448 WeakPolarHBondContact O-CA 3.26Å; H378-A449 HydrophobicContact CB-CB 4.43Å; H378-A449 PolarHBondContact N-O 2.88Å; H378-A449 PolarHBondContact O-N 3.15Å; H378-T451 VanDerWaalsContact CB-OG1 3.3Å; H378-T451 WeakPolarHBondContact CB-OG1 3.42Å
379	V	95.6	Very high	82.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	106.7	-176.7	-173.8	0	0	0	0	108.1	L377 L382 F399 S416 A417 I419 L446 S447 L448	L377-V379 HydrophobicContact CD2-CG2 4.11Å; L377-V379 HydrophobicContact CG-CG2 4.28Å; V379-L382 HydrophobicContact CG1-CD2 3.98Å; V379-F399 HydrophobicContact CG1-CE2 4.2Å; V379-F399 HydrophobicContact CG1-CZ 3.91Å; V379-F399 HydrophobicContact CG2-CE1 4.23Å; V379-F399 HydrophobicContact CG2-CE2 4.38Å; V379-F399 HydrophobicContact CG2-CZ 3.87Å; V379-S416 CarbonylContact O-C 3.47Å; V379-S416 WeakPolarHBondContact O-CA 3.43Å; V379-S416 VanDerWaalsContact O-CB 3.28Å; V379-S416 WeakPolarHBondContact O-CB 3.37Å; V379-A417 PolarHBondContact N-O 3.02Å; V379-A417 PolarHBondContact O-N 2.85Å; V379-I419 HydrophobicContact CG2-CD1 3.78Å; V379-I419 HydrophobicContact CG2-CG1 4.09Å; V379-L446 HydrophobicContact CG1-CB 4.26Å; V379-L446 HydrophobicContact CG1-CD1 3.86Å; V379-L446 HydrophobicContact CG1-CD2 4.18Å; V379-L446 HydrophobicContact CG1-CG 4.33Å; V379-S447 WeakPolarHBondContact CA-O 3.44Å; V379-L448 HydrophobicContact CB-CD2 4.27Å; V379-L448 HydrophobicContact CG1-CD2 3.94Å; V379-L448 HydrophobicContact CG2-CD2 3.92Å
380	A	93.6	Very high	84.9	Confident	22 Å²	22	45.6 Å²	45.6	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	165.4	178.1	0	0	0	0	0	112.2	L446 S447	A380-L446 CarbonylContact O-C 3.51Å; A380-L446 WeakPolarHBondContact O-CA 3.41Å; A380-S447 PolarHBondContact N-O 2.79Å; A380-S447 PolarHBondContact O-N 3.16Å
381	G	89.8	Confident	86.8	Confident	27 Å²	27	45 Å²	45	28%	0.278	28%	0.278	S	S	.	.			trans	85.2	27.1	-175.6	0	0	0	0	0	113.4	T383 S415	G381-T383 PolarHBondContact O-N 2.7Å; G381-S415 PolarHBondContact N-O 2.96Å; G381-S415 VanDerWaalsContact N-O 3.1Å
382	L	91	Very high	88.2	Confident	18 Å²	18	39.6 Å²	39.6	9%	0.094	26%	0.261	C	S	.	.			trans	-73.2	86.3	175.4	-55.9	-175.1	0	0	0	110.1	V379 V390 L395 L410 S415 S416 A417 L441 L446	V379-L382 HydrophobicContact CG1-CD2 3.98Å; L382-V390 HydrophobicContact CB-CB 4.29Å; L382-V390 HydrophobicContact CB-CG2 4.24Å; L382-V390 HydrophobicContact CD1-CG1 4.47Å; L382-V390 HydrophobicContact CD2-CG1 4.33Å; L382-L395 HydrophobicContact CD1-CD1 4.01Å; L382-L395 HydrophobicContact CD2-CD2 3.86Å; L382-L410 HydrophobicContact CD1-CD2 4.16Å; L382-S415 WeakPolarHBondContact CB-O 3.14Å; L382-S415 WeakPolarHBondContact CG-O 3.33Å; L382-S415 PolarHBondContact N-O 3.03Å; L382-S416 VanDerWaalsContact CD1-C 3.5Å; L382-A417 HydrophobicContact CD1-CB 3.8Å; L382-L441 HydrophobicContact CD2-CD2 4.49Å; L382-L446 HydrophobicContact CD2-CD2 3.69Å
383	T	81.1	Confident	88.7	Confident	27 Å²	27	45.1 Å²	45.1	17%	0.166	28%	0.284	C	S	.	.			trans	-80.8	142.1	175.3	49.5	0	0	0	0	112.6	G381 G385 R444	G381-T383 PolarHBondContact O-N 2.7Å; T383-G385 PolarHBondContact O-N 2.77Å; T383-R444 HydrophobicContact CG2-CB 4.27Å; T383-R444 HydrophobicContact CG2-CG 3.9Å
384	V	80.5	Confident	88.8	Confident	105 Å²	105	46.5 Å²	46.5	64%	0.636	29%	0.287	S	S	*	.			trans	-48.2	124.6	161.8	-176.4	0	0	0	0	109.1
385	G	76	Confident	88.8	Confident	18 Å²	18	46.5 Å²	46.5	19%	0.186	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-96.7	-175.8	175.3	0	0	0	0	0	111.9	T383 T387 G388	T383-G385 PolarHBondContact O-N 2.77Å; G385-T387 PolarHBondContact O-N 3.49Å; G385-T387 VanDerWaalsContact O-N 3.14Å; G385-G388 PolarHBondContact N-O 2.71Å; G385-G388 PolarHBondContact O-N 3.12Å; G385-G388 VanDerWaalsContact O-N 3.07Å
386	P	75.3	Confident	88.9	Confident	137 Å²	137	48.6 Å²	48.6	89%	0.89	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.1	174.7	28.1	-35.5	0	0	0	113.2
387	T	80.2	Confident	88.8	Confident	109 Å²	109	53.4 Å²	53.4	67%	0.669	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	24.4	175.4	64.1	0	0	0	0	112.4	G385	G385-T387 PolarHBondContact O-N 3.49Å; G385-T387 VanDerWaalsContact O-N 3.14Å
388	G	83.7	Confident	88.6	Confident	24 Å²	24	54.6 Å²	54.6	25%	0.247	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	82.7	-162.4	-177	0	0	0	0	0	114.6	G385	G385-G388 PolarHBondContact N-O 2.71Å; G385-G388 PolarHBondContact O-N 3.12Å; G385-G388 VanDerWaalsContact O-N 3.07Å
389	P	85.8	Confident	88.6	Confident	94 Å²	94	52.2 Å²	52.2	61%	0.61	33%	0.329	S	S	*	.	S	Bend	trans	-67	156	-176.5	28.7	-35.1	0	0	0	112.7	T391	P389-T391 PolarHBondContact O-N 3.28Å
390	V	88.7	Confident	88.6	Confident	16 Å²	16	60.6 Å²	60.6	10%	0.097	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-69.1	121.6	179.1	173.6	0	0	0	0	110.8	L382 L395 L441	L382-V390 HydrophobicContact CB-CB 4.29Å; L382-V390 HydrophobicContact CB-CG2 4.24Å; L382-V390 HydrophobicContact CD1-CG1 4.47Å; L382-V390 HydrophobicContact CD2-CG1 4.33Å; V390-L395 HydrophobicContact CG1-CD1 4.17Å; V390-L395 HydrophobicContact CG1-CD2 4.01Å; V390-L395 HydrophobicContact CG1-CG 3.7Å; V390-L441 HydrophobicContact CB-CD2 4.4Å; V390-L441 HydrophobicContact CG1-CD2 3.52Å; V390-L441 HydrophobicContact CG2-CD2 3.92Å; V390-L441 HydrophobicContact CG2-CG 4.44Å
391	T	91.1	Very high	88.7	Confident	53 Å²	53	66.6 Å²	66.6	33%	0.325	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-87.1	161.2	177.2	72.8	0	0	0	0	112.8	P389 E393 Q394 L395	P389-T391 PolarHBondContact O-N 3.28Å; T391-E393 PolarHBondContact O-N 2.81Å; T391-Q394 PolarHBondContact O-N 2.86Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.27Å; T391-Q394 PolarHBondContact OG1-N 3.45Å; T391-L395 PolarHBondContact O-N 3.18Å; T391-L395 VanDerWaalsContact O-N 3.12Å
392	S	92.8	Very high	89	Confident	49 Å²	49	66.2 Å²	66.2	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-32.1	173.2	48.7	0	0	0	0	112	T396	S392-T396 VanDerWaalsContact O-CB 3.32Å; S392-T396 WeakPolarHBondContact O-CB 3.48Å; S392-T396 PolarHBondContact O-N 2.9Å; S392-T396 PolarHBondContact O-OG1 3.23Å
393	E	92.7	Very high	89.2	Confident	145 Å²	145	65.8 Å²	65.8	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-69.5	-41.7	175.6	-57.6	-177.2	151.1	0	0	112.5	T391 L395 T396 T397	T391-E393 PolarHBondContact O-N 2.81Å; E393-L395 VanDerWaalsContact C-N 3.35Å; E393-T396 PolarHBondContact O-N 3.26Å; E393-T397 VanDerWaalsContact O-CB 3.31Å; E393-T397 WeakPolarHBondContact O-CB 3.1Å; E393-T397 PolarHBondContact O-N 2.96Å; E393-T397 PolarHBondContact O-OG1 3.17Å
394	Q	91.3	Very high	89.8	Confident	67 Å²	67	68.4 Å²	68.4	31%	0.313	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-43.6	174.4	-73.1	173.5	8.3	0	0	110.9	T391 T397 A398	T391-Q394 PolarHBondContact O-N 2.86Å; T391-Q394 WeakPolarHBondContact OG1-CG 3.27Å; T391-Q394 PolarHBondContact OG1-N 3.45Å; Q394-T397 PolarHBondContact O-N 2.69Å; Q394-A398 VanDerWaalsContact O-CB 3.22Å; Q394-A398 WeakPolarHBondContact O-CB 3.27Å; Q394-A398 PolarHBondContact O-N 3.39Å
395	L	93.9	Very high	90.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.5	-46.8	173.1	-72.6	172.5	0	0	0	111.9	L382 V390 T391 E393 T397 A398 F399 V408 L410 A417 I419 L441	L382-L395 HydrophobicContact CD1-CD1 4.01Å; L382-L395 HydrophobicContact CD2-CD2 3.86Å; V390-L395 HydrophobicContact CG1-CD1 4.17Å; V390-L395 HydrophobicContact CG1-CD2 4.01Å; V390-L395 HydrophobicContact CG1-CG 3.7Å; T391-L395 PolarHBondContact O-N 3.18Å; T391-L395 VanDerWaalsContact O-N 3.12Å; E393-L395 VanDerWaalsContact C-N 3.35Å; L395-T397 VanDerWaalsContact C-N 3.33Å; L395-T397 PolarHBondContact O-N 3.13Å; L395-A398 PolarHBondContact O-N 2.81Å; L395-F399 HydrophobicContact CD2-CD2 4.37Å; L395-F399 HydrophobicContact CD2-CE2 4.08Å; L395-F399 WeakPolarHBondContact O-CB 3.33Å; L395-F399 WeakPolarHBondContact O-CD2 3.35Å; L395-F399 PolarHBondContact O-N 3.48Å; L395-V408 HydrophobicContact CB-CG1 3.93Å; L395-V408 HydrophobicContact CD1-CG1 3.69Å; L395-V408 HydrophobicContact CG-CG1 4.48Å; L395-L410 HydrophobicContact CD1-CD2 3.66Å; L395-A417 HydrophobicContact CD1-CB 3.56Å; L395-I419 HydrophobicContact CB-CD1 4.33Å; L395-I419 HydrophobicContact CD2-CD1 4.48Å; L395-L441 HydrophobicContact CD2-CD2 3.9Å
396	T	95.4	Very high	91.3	Very high	48 Å²	48	67.6 Å²	67.6	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-57.2	-48.8	177.4	-61.2	0	0	0	0	110.3	S392 E393 F399 R400 I405 V408	S392-T396 VanDerWaalsContact O-CB 3.32Å; S392-T396 WeakPolarHBondContact O-CB 3.48Å; S392-T396 PolarHBondContact O-N 2.9Å; S392-T396 PolarHBondContact O-OG1 3.23Å; E393-T396 PolarHBondContact O-N 3.26Å; T396-F399 PolarHBondContact O-N 2.95Å; T396-R400 WeakPolarHBondContact O-CB 3.46Å; T396-R400 PolarHBondContact O-N 3.42Å; T396-I405 HydrophobicContact CG2-CD1 4.38Å; T396-V408 WeakPolarHBondContact OG1-CG2 3.38Å
397	T	93.5	Very high	92.1	Very high	109 Å²	109	64.9 Å²	64.9	67%	0.669	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-45.5	178.2	-58.1	0	0	0	0	111.9	E393 Q394 L395 F399	E393-T397 VanDerWaalsContact O-CB 3.31Å; E393-T397 WeakPolarHBondContact O-CB 3.1Å; E393-T397 PolarHBondContact O-N 2.96Å; E393-T397 PolarHBondContact O-OG1 3.17Å; Q394-T397 PolarHBondContact O-N 2.69Å; L395-T397 VanDerWaalsContact C-N 3.33Å; L395-T397 PolarHBondContact O-N 3.13Å; T397-F399 PolarHBondContact O-N 2.96Å
398	A	92.8	Very high	92.9	Very high	26 Å²	26	60.5 Å²	60.5	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-34.3	-179.2	0	0	0	0	0	113.5	Q394 L395 K401 L441	Q394-A398 VanDerWaalsContact O-CB 3.22Å; Q394-A398 WeakPolarHBondContact O-CB 3.27Å; Q394-A398 PolarHBondContact O-N 3.39Å; L395-A398 PolarHBondContact O-N 2.81Å; A398-K401 WeakPolarHBondContact O-CD 3.49Å; A398-K401 WeakPolarHBondContact O-CE 3.49Å; A398-L441 HydrophobicContact CB-CD1 4.21Å
399	F	96.3	Very high	93.3	Very high	3 Å²	3	64.1 Å²	64.1	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-101.2	-19.8	-174.5	-77.2	-95.6	0	0	0	115	L377 V379 L395 T396 T397 K401 F402 I405 I419 F421 A430 L439 L446 L448	L377-F399 HydrophobicContact CD2-CD1 4.05Å; L377-F399 HydrophobicContact CD2-CE1 3.68Å; V379-F399 HydrophobicContact CG1-CE2 4.2Å; V379-F399 HydrophobicContact CG1-CZ 3.91Å; V379-F399 HydrophobicContact CG2-CE1 4.23Å; V379-F399 HydrophobicContact CG2-CE2 4.38Å; V379-F399 HydrophobicContact CG2-CZ 3.87Å; L395-F399 HydrophobicContact CD2-CD2 4.37Å; L395-F399 HydrophobicContact CD2-CE2 4.08Å; L395-F399 WeakPolarHBondContact O-CB 3.33Å; L395-F399 WeakPolarHBondContact O-CD2 3.35Å; L395-F399 PolarHBondContact O-N 3.48Å; T396-F399 PolarHBondContact O-N 2.95Å; T397-F399 PolarHBondContact O-N 2.96Å; F399-K401 PolarHBondContact O-N 3.36Å; F399-K401 VanDerWaalsContact O-N 3.1Å; F399-F402 HydrophobicContact CB-CD2 4.3Å; F399-F402 AromaticContact CD1-CD2 3.76Å; F399-F402 HydrophobicContact CD1-CD2 3.76Å; F399-F402 AromaticContact CD1-CE2 3.94Å; F399-F402 HydrophobicContact CD1-CE2 3.94Å; F399-F402 HydrophobicContact CE1-CE2 4.35Å; F399-F402 HydrophobicContact CG-CD2 4.31Å; F399-F402 HydrophobicContact CG-CE2 4.47Å; F399-F402 WeakPolarHBondContact O-CB 3.24Å; F399-F402 WeakPolarHBondContact O-CD2 3.37Å; F399-F402 PolarHBondContact O-N 3.46Å; F399-I405 HydrophobicContact CB-CD1 3.85Å; F399-I419 HydrophobicContact CB-CD1 3.97Å; F399-I419 HydrophobicContact CD1-CD1 4.01Å; F399-I419 HydrophobicContact CD2-CD1 3.47Å; F399-I419 VanDerWaalsContact CD2-CD1 3.47Å; F399-I419 HydrophobicContact CE1-CD1 4.38Å; F399-I419 HydrophobicContact CE2-CD1 3.88Å; F399-I419 HydrophobicContact CG-CD1 3.54Å; F399-I419 HydrophobicContact CZ-CD1 4.32Å; F399-F421 HydrophobicContact CB-CZ 4.17Å; F399-F421 HydrophobicContact CD1-CZ 4.36Å; F399-A430 HydrophobicContact CD1-CB 4.3Å; F399-A430 HydrophobicContact CE1-CB 4.4Å; F399-L439 HydrophobicContact CE1-CD1 4.17Å; F399-L439 HydrophobicContact CZ-CD1 4.41Å; F399-L446 HydrophobicContact CE2-CD1 3.93Å; F399-L446 HydrophobicContact CZ-CD1 3.81Å; F399-L448 HydrophobicContact CE1-CD2 4.12Å; F399-L448 HydrophobicContact CZ-CD2 3.98Å
400	R	96.1	Very high	93.7	Very high	175 Å²	175	62.7 Å²	62.7	66%	0.66	32%	0.322	S	S	*	.	H	α-helix	trans	-55.6	-29.6	178	-179.9	177	-176.4	-175.1	2.7	113.2	T396 F402 G403 I405	T396-R400 WeakPolarHBondContact O-CB 3.46Å; T396-R400 PolarHBondContact O-N 3.42Å; R400-F402 PolarHBondContact O-N 2.99Å; R400-F402 VanDerWaalsContact O-N 3.15Å; R400-G403 CarbonylContact O-C 3.55Å; R400-G403 PolarHBondContact O-N 3.17Å; R400-I405 HydrophobicContact CB-CD1 4.46Å
401	K	94.9	Very high	93.8	Very high	149 Å²	149	66.1 Å²	66.1	65%	0.648	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21	172.4	73.6	-167.8	-177.8	-164.8	0	114.2	A398 F399	A398-K401 WeakPolarHBondContact O-CD 3.49Å; A398-K401 WeakPolarHBondContact O-CE 3.49Å; F399-K401 PolarHBondContact O-N 3.36Å; F399-K401 VanDerWaalsContact O-N 3.1Å
402	F	96.1	Very high	93.5	Very high	18 Å²	18	69 Å²	69	8%	0.079	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-15.2	174.7	-54.4	-60.6	0	0	0	112.9	F399 R400 F421 G426 R429 A430 A433 L439	F399-F402 HydrophobicContact CB-CD2 4.3Å; F399-F402 AromaticContact CD1-CD2 3.76Å; F399-F402 HydrophobicContact CD1-CD2 3.76Å; F399-F402 AromaticContact CD1-CE2 3.94Å; F399-F402 HydrophobicContact CD1-CE2 3.94Å; F399-F402 HydrophobicContact CE1-CE2 4.35Å; F399-F402 HydrophobicContact CG-CD2 4.31Å; F399-F402 HydrophobicContact CG-CE2 4.47Å; F399-F402 WeakPolarHBondContact O-CB 3.24Å; F399-F402 WeakPolarHBondContact O-CD2 3.37Å; F399-F402 PolarHBondContact O-N 3.46Å; R400-F402 PolarHBondContact O-N 2.99Å; R400-F402 VanDerWaalsContact O-N 3.15Å; F402-F421 HydrophobicContact CB-CE1 4.32Å; F402-G426 WeakPolarHBondContact O-CA 3.27Å; F402-R429 HydrophobicContact CB-CB 4.2Å; F402-R429 HydrophobicContact CD1-CB 4.3Å; F402-R429 PolarHBondContact O-NE 2.99Å; F402-R429 PolarHBondContact O-NH2 2.81Å; F402-A430 HydrophobicContact CB-CB 4.1Å; F402-A430 HydrophobicContact CD1-CB 4.37Å; F402-A430 HydrophobicContact CD2-CB 3.64Å; F402-A430 HydrophobicContact CE2-CB 4.11Å; F402-A430 HydrophobicContact CG-CB 3.78Å; F402-A433 HydrophobicContact CD1-CB 4.44Å; F402-A433 HydrophobicContact CE1-CB 3.52Å; F402-A433 VanDerWaalsContact CE1-CB 3.48Å; F402-A433 HydrophobicContact CZ-CB 4Å; F402-L439 HydrophobicContact CE2-CD1 3.57Å; F402-L439 HydrophobicContact CZ-CD1 3.55Å; F402-L439 HydrophobicContact CZ-CD2 3.94Å; F402-L439 HydrophobicContact CZ-CG 4.42Å
403	G	94.4	Very high	93.1	Very high	10.5 Å²	10.5	72.7 Å²	72.7	11%	0.108	38%	0.381	C	S	.	.	S	Bend	trans	152.1	168.6	177.7	0	0	0	0	0	112.5	R400 I405	R400-G403 CarbonylContact O-C 3.55Å; R400-G403 PolarHBondContact O-N 3.17Å; G403-I405 PolarHBondContact O-N 3.14Å
404	D	94.2	Very high	92.8	Very high	81 Å²	81	68.4 Å²	68.4	43%	0.433	37%	0.367	S	S	.	.			trans	-63.5	131.3	-179.5	-59	-19.9	0	0	0	111.4	F421 A422 R579	D404-F421 CarbonylContact O-C 3.57Å; D404-F421 WeakPolarHBondContact O-CA 3.22Å; D404-A422 HydrophobicContact CB-CB 4.14Å; D404-A422 PolarHBondContact O-N 2.74Å; D404-R579 VanDerWaalsContact CB-NH1 3.28Å; D404-R579 IonicContact OD2-CZ 3.56Å; D404-R579 VanDerWaalsContact OD2-CZ 3.29Å; D404-R579 IonicContact OD2-NH1 3.29Å; D404-R579 PolarHBondContact OD2-NH1 3.32Å; D404-R579 IonicContact OD2-NH2 3.59Å; D404-R579 PolarHBondContact OD2-NH2 3Å
405	I	94.8	Very high	92.7	Very high	37 Å²	37	68 Å²	68	19%	0.19	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.7	-179.9	-64.8	169.4	0	0	0	108.5	T396 F399 R400 G403 V408 I419 F421	T396-I405 HydrophobicContact CG2-CD1 4.38Å; F399-I405 HydrophobicContact CB-CD1 3.85Å; R400-I405 HydrophobicContact CB-CD1 4.46Å; G403-I405 PolarHBondContact O-N 3.14Å; I405-V408 HydrophobicContact CG2-CG2 3.73Å; I405-I419 HydrophobicContact CD1-CG2 3.89Å; I405-I419 HydrophobicContact CG1-CG2 3.95Å; I405-I419 HydrophobicContact CG2-CG2 4.03Å; I405-F421 HydrophobicContact CD1-CE1 4.36Å; I405-F421 HydrophobicContact CG1-CD1 3.91Å; I405-F421 HydrophobicContact CG1-CE1 3.79Å; I405-F421 HydrophobicContact CG1-CZ 4.37Å
406	I	92.7	Very high	92.7	Very high	70 Å²	70	68.3 Å²	68.3	36%	0.359	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-43.9	173.6	-67.9	179.8	0	0	0	110.5	Q420 A422	I406-Q420 HydrophobicContact CB-CG 4.43Å; I406-Q420 PolarHBondContact N-O 3.15Å; I406-A422 HydrophobicContact CD1-CB 4.13Å; I406-A422 HydrophobicContact CG1-CB 4.09Å
407	N	93.1	Very high	92.6	Very high	78.5 Å²	78.5	66 Å²	66	42%	0.42	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148	-174.8	-165.8	-9.1	0	0	0	111	Q420	N407-Q420 HydrophobicContact CB-CB 4.3Å; N407-Q420 PolarHBondContact N-O 2.99Å; N407-Q420 PolarHBondContact O-N 3.35Å
408	V	95.5	Very high	92.7	Very high	18.5 Å²	18.5	62.1 Å²	62.1	11%	0.112	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	102.1	170.7	-179.2	0	0	0	0	108.7	L395 T396 I405 L410 L418 I419	L395-V408 HydrophobicContact CB-CG1 3.93Å; L395-V408 HydrophobicContact CD1-CG1 3.69Å; L395-V408 HydrophobicContact CG-CG1 4.48Å; T396-V408 WeakPolarHBondContact OG1-CG2 3.38Å; I405-V408 HydrophobicContact CG2-CG2 3.73Å; V408-L410 HydrophobicContact CG1-CD1 4.02Å; V408-L418 WeakPolarHBondContact CA-O 3.27Å; V408-I419 HydrophobicContact CG1-CG1 4.29Å; V408-I419 HydrophobicContact CG2-CG1 4.32Å; V408-I419 HydrophobicContact CG2-CG2 4.33Å
409	Q	93.9	Very high	92.9	Very high	99.5 Å²	99.5	60.9 Å²	60.9	47%	0.465	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.4	175.6	-119.4	-178.2	21.2	0	0	109.5	A417 L418	Q409-A417 CarbonylContact O-C 3.54Å; Q409-A417 VanDerWaalsContact O-CA 3.24Å; Q409-A417 WeakPolarHBondContact O-CA 3.3Å; Q409-A417 WeakPolarHBondContact O-CB 3.46Å; Q409-L418 HydrophobicContact CB-CB 4.41Å; Q409-L418 PolarHBondContact N-O 3.21Å; Q409-L418 PolarHBondContact O-N 2.92Å
410	L	93.3	Very high	92.8	Very high	63.5 Å²	63.5	62.1 Å²	62.1	33%	0.332	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	145.7	170.2	-75.5	124.4	0	0	0	110.5	L382 L395 V408 A417	L382-L410 HydrophobicContact CD1-CD2 4.16Å; L395-L410 HydrophobicContact CD1-CD2 3.66Å; V408-L410 HydrophobicContact CG1-CD1 4.02Å; L410-A417 HydrophobicContact CD2-CB 4.29Å; L410-A417 HydrophobicContact CG-CB 4.41Å
411	K	90.9	Very high	92.8	Very high	87.5 Å²	87.5	53.8 Å²	53.8	38%	0.38	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	75.2	171.7	-64	-169.6	176.5	-169.4	0	108.8	S413 S414 S415 S416	K411-S413 VanDerWaalsContact C-N 3.3Å; K411-S413 PolarHBondContact O-N 3.08Å; K411-S414 VanDerWaalsContact CB-OG 3.23Å; K411-S414 WeakPolarHBondContact CB-OG 3.39Å; K411-S414 PolarHBondContact O-N 2.66Å; K411-S414 PolarHBondContact O-OG 3.21Å; K411-S415 PolarHBondContact O-N 3.08Å; K411-S416 CarbonylContact C-O 3.59Å; K411-S416 WeakPolarHBondContact CA-O 3.33Å; K411-S416 PolarHBondContact N-O 3.22Å; K411-S416 PolarHBondContact O-N 3.12Å
412	P	84.5	Confident	92.7	Very high	114.5 Å²	114.5	47 Å²	47	74%	0.744	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-55.7	-39.1	-172	-2.8	1.6	0	0	0	113.1	S414 S415	P412-S414 PolarHBondContact O-N 3.06Å; P412-S415 PolarHBondContact O-N 3.4Å; P412-S415 VanDerWaalsContact O-N 3.08Å
413	S	83.7	Confident	92.4	Very high	126.5 Å²	126.5	50.2 Å²	50.2	89%	0.885	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-55.7	-13.5	174.9	53.6	0	0	0	0	115.6	K411	K411-S413 VanDerWaalsContact C-N 3.3Å; K411-S413 PolarHBondContact O-N 3.08Å
414	S	86.4	Confident	92.2	Very high	54.5 Å²	54.5	50.1 Å²	50.1	38%	0.381	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-125.6	6.3	-179.3	65.2	0	0	0	0	113.4	K411 P412 S416	K411-S414 VanDerWaalsContact CB-OG 3.23Å; K411-S414 WeakPolarHBondContact CB-OG 3.39Å; K411-S414 PolarHBondContact O-N 2.66Å; K411-S414 PolarHBondContact O-OG 3.21Å; P412-S414 PolarHBondContact O-N 3.06Å; S414-S416 PolarHBondContact O-N 3.17Å; S414-S416 WeakPolarHBondContact OG-CB 3.42Å; S414-S416 PolarHBondContact OG-N 2.99Å; S414-S416 PolarHBondContact OG-OG 3.14Å
415	S	89.4	Confident	92.1	Very high	59.5 Å²	59.5	53.1 Å²	53.1	42%	0.416	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	41	-170.7	67.9	0	0	0	0	113.2	G381 L382 K411 P412	G381-S415 PolarHBondContact N-O 2.96Å; G381-S415 VanDerWaalsContact N-O 3.1Å; L382-S415 WeakPolarHBondContact CB-O 3.14Å; L382-S415 WeakPolarHBondContact CG-O 3.33Å; L382-S415 PolarHBondContact N-O 3.03Å; K411-S415 PolarHBondContact O-N 3.08Å; P412-S415 PolarHBondContact O-N 3.4Å; P412-S415 VanDerWaalsContact O-N 3.08Å
416	S	93.6	Very high	92	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	169.9	-174.2	82	0	0	0	0	113.3	H378 V379 L382 K411 S414	H378-S416 VanDerWaalsContact NE2-CB 3.27Å; H378-S416 WeakPolarHBondContact NE2-CB 3.49Å; H378-S416 PolarHBondContact NE2-OG 2.86Å; V379-S416 CarbonylContact O-C 3.47Å; V379-S416 WeakPolarHBondContact O-CA 3.43Å; V379-S416 VanDerWaalsContact O-CB 3.28Å; V379-S416 WeakPolarHBondContact O-CB 3.37Å; L382-S416 VanDerWaalsContact CD1-C 3.5Å; K411-S416 CarbonylContact C-O 3.59Å; K411-S416 WeakPolarHBondContact CA-O 3.33Å; K411-S416 PolarHBondContact N-O 3.22Å; K411-S416 PolarHBondContact O-N 3.12Å; S414-S416 PolarHBondContact O-N 3.17Å; S414-S416 WeakPolarHBondContact OG-CB 3.42Å; S414-S416 PolarHBondContact OG-N 2.99Å; S414-S416 PolarHBondContact OG-OG 3.14Å
417	A	95.3	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160	176	0	0	0	0	0	111.9	H378 V379 L382 L395 Q409 L410	H378-A417 WeakPolarHBondContact CA-O 3.35Å; H378-A417 PolarHBondContact CD2-O 3.44Å; H378-A417 VanDerWaalsContact CD2-O 3.3Å; V379-A417 PolarHBondContact N-O 3.02Å; V379-A417 PolarHBondContact O-N 2.85Å; L382-A417 HydrophobicContact CD1-CB 3.8Å; L395-A417 HydrophobicContact CD1-CB 3.56Å; Q409-A417 CarbonylContact O-C 3.54Å; Q409-A417 VanDerWaalsContact O-CA 3.24Å; Q409-A417 WeakPolarHBondContact O-CA 3.3Å; Q409-A417 WeakPolarHBondContact O-CB 3.46Å; L410-A417 HydrophobicContact CD2-CB 4.29Å; L410-A417 HydrophobicContact CG-CB 4.41Å
418	L	95.6	Very high	92.1	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.1	166.8	-62.4	176.5	0	0	0	109.1	T376 H378 V408 Q409 T451	T376-L418 HydrophobicContact CG2-CB 4.24Å; T376-L418 HydrophobicContact CG2-CD2 4.29Å; H378-L418 HydrophobicContact CB-CD2 3.88Å; V408-L418 WeakPolarHBondContact CA-O 3.27Å; Q409-L418 HydrophobicContact CB-CB 4.41Å; Q409-L418 PolarHBondContact N-O 3.21Å; Q409-L418 PolarHBondContact O-N 2.92Å; L418-T451 HydrophobicContact CD2-CG2 4.12Å
419	I	96.1	Very high	92	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.3	176	-56.5	-177.4	0	0	0	108.4	T376 L377 V379 L395 F399 I405 V408 F421	T376-I419 WeakPolarHBondContact CA-O 3.45Å; L377-I419 PolarHBondContact N-O 2.92Å; L377-I419 PolarHBondContact O-N 3Å; V379-I419 HydrophobicContact CG2-CD1 3.78Å; V379-I419 HydrophobicContact CG2-CG1 4.09Å; L395-I419 HydrophobicContact CB-CD1 4.33Å; L395-I419 HydrophobicContact CD2-CD1 4.48Å; F399-I419 HydrophobicContact CB-CD1 3.97Å; F399-I419 HydrophobicContact CD1-CD1 4.01Å; F399-I419 HydrophobicContact CD2-CD1 3.47Å; F399-I419 VanDerWaalsContact CD2-CD1 3.47Å; F399-I419 HydrophobicContact CE1-CD1 4.38Å; F399-I419 HydrophobicContact CE2-CD1 3.88Å; F399-I419 HydrophobicContact CG-CD1 3.54Å; F399-I419 HydrophobicContact CZ-CD1 4.32Å; I405-I419 HydrophobicContact CD1-CG2 3.89Å; I405-I419 HydrophobicContact CG1-CG2 3.95Å; I405-I419 HydrophobicContact CG2-CG2 4.03Å; V408-I419 HydrophobicContact CG1-CG1 4.29Å; V408-I419 HydrophobicContact CG2-CG1 4.32Å; V408-I419 HydrophobicContact CG2-CG2 4.33Å; I419-F421 HydrophobicContact CB-CE2 4.2Å; I419-F421 HydrophobicContact CG2-CD2 4.02Å; I419-F421 HydrophobicContact CG2-CE2 3.56Å; I419-F421 VanDerWaalsContact CG2-CE2 3.48Å; I419-F421 HydrophobicContact CG2-CZ 3.9Å
420	Q	95	Very high	92.1	Very high	29 Å²	29	46 Å²	46	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.9	176.8	-172.4	-179.3	25.2	0	0	109.8	I406 N407	I406-Q420 HydrophobicContact CB-CG 4.43Å; I406-Q420 PolarHBondContact N-O 3.15Å; N407-Q420 HydrophobicContact CB-CB 4.3Å; N407-Q420 PolarHBondContact N-O 2.99Å; N407-Q420 PolarHBondContact O-N 3.35Å
421	F	95.1	Very high	92.1	Very high	0.5 Å²	0.5	44.7 Å²	44.7	0%	0.002	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	157.1	176.7	-69.1	-97.2	0	0	0	112.4	R375 L377 F399 F402 D404 I405 I419 E423 P427	R375-F421 PolarHBondContact O-N 2.76Å; L377-F421 HydrophobicContact CB-CE2 4.22Å; L377-F421 HydrophobicContact CD2-CE2 4.38Å; F399-F421 HydrophobicContact CB-CZ 4.17Å; F399-F421 HydrophobicContact CD1-CZ 4.36Å; F402-F421 HydrophobicContact CB-CE1 4.32Å; D404-F421 CarbonylContact O-C 3.57Å; D404-F421 WeakPolarHBondContact O-CA 3.22Å; I405-F421 HydrophobicContact CD1-CE1 4.36Å; I405-F421 HydrophobicContact CG1-CD1 3.91Å; I405-F421 HydrophobicContact CG1-CE1 3.79Å; I405-F421 HydrophobicContact CG1-CZ 4.37Å; I419-F421 HydrophobicContact CB-CE2 4.2Å; I419-F421 HydrophobicContact CG2-CD2 4.02Å; I419-F421 HydrophobicContact CG2-CE2 3.56Å; I419-F421 VanDerWaalsContact CG2-CE2 3.48Å; I419-F421 HydrophobicContact CG2-CZ 3.9Å; F421-E423 VanDerWaalsContact C-N 3.3Å; F421-E423 PolarHBondContact O-N 2.94Å; F421-P427 HydrophobicContact CB-CG 4.32Å; F421-P427 HydrophobicContact CD2-CB 3.95Å; F421-P427 HydrophobicContact CD2-CG 3.77Å; F421-P427 VanDerWaalsContact CD2-CG 3.47Å; F421-P427 HydrophobicContact CE2-CB 4.04Å; F421-P427 HydrophobicContact CE2-CG 3.97Å; F421-P427 HydrophobicContact CG-CG 4.1Å
422	A	92.1	Very high	92.2	Very high	5.5 Å²	5.5	45 Å²	45	5%	0.045	24%	0.243	C	C	.	.	S	Bend	trans	-69.1	-26.9	175.3	0	0	0	0	0	113.7	D404 I406 S577 Q580	D404-A422 HydrophobicContact CB-CB 4.14Å; D404-A422 PolarHBondContact O-N 2.74Å; I406-A422 HydrophobicContact CD1-CB 4.13Å; I406-A422 HydrophobicContact CG1-CB 4.09Å; A422-S577 PolarHBondContact O-OG 3.07Å; A422-Q580 PolarHBondContact O-NE2 3.14Å
423	E	90.4	Very high	92.7	Very high	86 Å²	86	40.8 Å²	40.8	40%	0.402	22%	0.218	S	C	.	.	S	Bend	trans	-136.6	148	178.6	-63.2	-173.4	166.7	0	0	111.4	F421 R425 G426 P427	F421-E423 VanDerWaalsContact C-N 3.3Å; F421-E423 PolarHBondContact O-N 2.94Å; E423-R425 HydrophobicContact CB-CB 4.32Å; E423-R425 PolarHBondContact O-N 2.74Å; E423-R425 VanDerWaalsContact O-N 3.08Å; E423-R425 VanDerWaalsContact OE2-CD 3.26Å; E423-R425 WeakPolarHBondContact OE2-CD 3.46Å; E423-G426 PolarHBondContact O-N 3.26Å; E423-P427 WeakPolarHBondContact O-CD 3.36Å
424	M	90.7	Very high	93.2	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.034	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22	171.5	-69.5	-167.6	-74	0	0	113.5	R375 G426 P427 I428 W460 S462 A572 D574	R375-M424 HydrophobicContact CG-CG 3.79Å; M424-G426 PolarHBondContact O-N 2.86Å; M424-P427 VanDerWaalsContact O-CD 3.29Å; M424-P427 WeakPolarHBondContact O-CD 3.37Å; M424-I428 HydrophobicContact CB-CD1 4.29Å; M424-I428 WeakPolarHBondContact O-CB 3.37Å; M424-I428 WeakPolarHBondContact O-CD1 3.42Å; M424-I428 VanDerWaalsContact O-CG1 3.22Å; M424-I428 WeakPolarHBondContact O-CG1 3.31Å; M424-I428 PolarHBondContact O-N 2.94Å; M424-I428 VanDerWaalsContact O-N 3.09Å; M424-W460 WeakPolarHBondContact CE-O 3.22Å; M424-S462 WeakPolarHBondContact CE-OG 3.5Å; M424-A572 HydrophobicContact CE-CB 3.91Å; M424-A572 VanDerWaalsContact CE-O 3.29Å; M424-A572 WeakPolarHBondContact CE-O 3.36Å; M424-D574 HydrophobicContact CE-CB 3.85Å; M424-D574 HydrophobicContact CG-CB 4.12Å; M424-D574 HydrophobicContact SD-CB 3.67Å
425	R	90.7	Very high	93.4	Very high	145 Å²	145	38 Å²	38	55%	0.547	20%	0.199	S	C	.	.	H	α-helix	trans	-60.3	-24.7	173.5	-115.5	173.3	175.7	172	-1.6	112.3	E423 R429	E423-R425 HydrophobicContact CB-CB 4.32Å; E423-R425 PolarHBondContact O-N 2.74Å; E423-R425 VanDerWaalsContact O-N 3.08Å; E423-R425 VanDerWaalsContact OE2-CD 3.26Å; E423-R425 WeakPolarHBondContact OE2-CD 3.46Å; R425-R429 WeakPolarHBondContact O-CB 3.45Å; R425-R429 VanDerWaalsContact O-CG 3.28Å; R425-R429 WeakPolarHBondContact O-CG 3.33Å; R425-R429 PolarHBondContact O-N 3.39Å; R425-R429 VanDerWaalsContact O-N 3.1Å; R425-R429 PolarHBondContact O-NE 2.89Å; R425-R429 VanDerWaalsContact O-NE 3.16Å
426	G	93.6	Very high	93.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-71.2	172.5	0	0	0	0	0	113.2	F402 E423 M424 I428 R429 A430	F402-G426 WeakPolarHBondContact O-CA 3.27Å; E423-G426 PolarHBondContact O-N 3.26Å; M424-G426 PolarHBondContact O-N 2.86Å; G426-I428 VanDerWaalsContact C-N 3.29Å; G426-I428 PolarHBondContact O-N 3.21Å; G426-R429 PolarHBondContact O-N 2.87Å; G426-A430 PolarHBondContact O-N 2.84Å
427	P	94.4	Very high	93.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.3	-27.7	-179.1	0.4	1.2	0	0	0	113.2	T374 R375 L377 F421 E423 M424 A430 M431 Y450	T374-P427 WeakPolarHBondContact O-CG 3.42Å; R375-P427 WeakPolarHBondContact O-CG 3.43Å; L377-P427 HydrophobicContact CB-CB 4.36Å; L377-P427 HydrophobicContact CB-CG 4.38Å; L377-P427 HydrophobicContact CD1-CB 4.22Å; F421-P427 HydrophobicContact CB-CG 4.32Å; F421-P427 HydrophobicContact CD2-CB 3.95Å; F421-P427 HydrophobicContact CD2-CG 3.77Å; F421-P427 VanDerWaalsContact CD2-CG 3.47Å; F421-P427 HydrophobicContact CE2-CB 4.04Å; F421-P427 HydrophobicContact CE2-CG 3.97Å; F421-P427 HydrophobicContact CG-CG 4.1Å; E423-P427 WeakPolarHBondContact O-CD 3.36Å; M424-P427 VanDerWaalsContact O-CD 3.29Å; M424-P427 WeakPolarHBondContact O-CD 3.37Å; P427-A430 PolarHBondContact O-N 2.84Å; P427-M431 VanDerWaalsContact O-CB 3.26Å; P427-M431 WeakPolarHBondContact O-CB 3.39Å; P427-M431 PolarHBondContact O-N 3.21Å; P427-Y450 HydrophobicContact CB-CD1 4.23Å; P427-Y450 HydrophobicContact CB-CE1 3.77Å; P427-Y450 HydrophobicContact CG-CE1 4.32Å
428	I	92.7	Very high	93.1	Very high	43.5 Å²	43.5	56 Å²	56	22%	0.223	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-42.5	170	-67.3	168.7	0	0	0	111.1	P373 M424 G426 N432	P373-I428 HydrophobicContact CB-CD1 3.83Å; P373-I428 HydrophobicContact CB-CG1 3.69Å; P373-I428 HydrophobicContact CG-CD1 4.27Å; P373-I428 HydrophobicContact CG-CG1 4.16Å; M424-I428 HydrophobicContact CB-CD1 4.29Å; M424-I428 WeakPolarHBondContact O-CB 3.37Å; M424-I428 WeakPolarHBondContact O-CD1 3.42Å; M424-I428 VanDerWaalsContact O-CG1 3.22Å; M424-I428 WeakPolarHBondContact O-CG1 3.31Å; M424-I428 PolarHBondContact O-N 2.94Å; M424-I428 VanDerWaalsContact O-N 3.09Å; G426-I428 VanDerWaalsContact C-N 3.29Å; G426-I428 PolarHBondContact O-N 3.21Å; I428-N432 WeakPolarHBondContact CG2-ND2 3.47Å; I428-N432 VanDerWaalsContact O-CB 3.26Å; I428-N432 WeakPolarHBondContact O-CB 3.34Å; I428-N432 PolarHBondContact O-N 3.12Å; I428-N432 VanDerWaalsContact O-N 3.09Å; I428-N432 PolarHBondContact O-ND2 2.96Å
429	R	94.8	Very high	92.9	Very high	109.5 Å²	109.5	56.1 Å²	56.1	41%	0.413	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-39	175.2	-76	-178.7	-63.1	-139.1	-0.4	112.2	F402 R425 G426 A433	F402-R429 HydrophobicContact CB-CB 4.2Å; F402-R429 HydrophobicContact CD1-CB 4.3Å; F402-R429 PolarHBondContact O-NE 2.99Å; F402-R429 PolarHBondContact O-NH2 2.81Å; R425-R429 WeakPolarHBondContact O-CB 3.45Å; R425-R429 VanDerWaalsContact O-CG 3.28Å; R425-R429 WeakPolarHBondContact O-CG 3.33Å; R425-R429 PolarHBondContact O-N 3.39Å; R425-R429 VanDerWaalsContact O-N 3.1Å; R425-R429 PolarHBondContact O-NE 2.89Å; R425-R429 VanDerWaalsContact O-NE 3.16Å; G426-R429 PolarHBondContact O-N 2.87Å; R429-A433 WeakPolarHBondContact O-CB 3.34Å; R429-A433 PolarHBondContact O-N 3.13Å
430	A	95.4	Very high	92.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-49	176.1	0	0	0	0	0	112.1	L377 F399 F402 G426 P427 A433 H434	L377-A430 HydrophobicContact CD2-CB 3.86Å; F399-A430 HydrophobicContact CD1-CB 4.3Å; F399-A430 HydrophobicContact CE1-CB 4.4Å; F402-A430 HydrophobicContact CB-CB 4.1Å; F402-A430 HydrophobicContact CD1-CB 4.37Å; F402-A430 HydrophobicContact CD2-CB 3.64Å; F402-A430 HydrophobicContact CE2-CB 4.11Å; F402-A430 HydrophobicContact CG-CB 3.78Å; G426-A430 PolarHBondContact O-N 2.84Å; P427-A430 PolarHBondContact O-N 2.84Å; A430-A433 PolarHBondContact O-N 2.88Å; A430-H434 WeakPolarHBondContact O-CB 3.32Å; A430-H434 PolarHBondContact O-N 3.27Å
431	M	93.8	Very high	92.1	Very high	37 Å²	37	64.4 Å²	64.4	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-44.4	178.6	-165.7	66.4	74.9	0	0	112	L377 P427 A433 H434 A435 L448 Y450	L377-M431 HydrophobicContact CD1-CE 3.97Å; P427-M431 VanDerWaalsContact O-CB 3.26Å; P427-M431 WeakPolarHBondContact O-CB 3.39Å; P427-M431 PolarHBondContact O-N 3.21Å; M431-A433 VanDerWaalsContact C-N 3.27Å; M431-A433 PolarHBondContact O-N 3.08Å; M431-H434 PolarHBondContact O-N 2.81Å; M431-A435 WeakPolarHBondContact O-CB 3.39Å; M431-A435 PolarHBondContact O-N 3.02Å; M431-L448 HydrophobicContact CE-CB 3.98Å; M431-L448 HydrophobicContact SD-CB 4.04Å; M431-Y450 HydrophobicContact CB-CE1 4.44Å; M431-Y450 VanDerWaalsContact CB-OH 3.29Å; M431-Y450 WeakPolarHBondContact CB-OH 3.34Å; M431-Y450 HydrophobicContact CE-CD1 4.46Å; M431-Y450 HydrophobicContact CE-CD2 4.23Å; M431-Y450 HydrophobicContact CE-CE1 4.34Å; M431-Y450 HydrophobicContact CE-CE2 4.05Å; M431-Y450 HydrophobicContact CE-CG 4.39Å; M431-Y450 HydrophobicContact CG-CE2 4.32Å
432	N	93.3	Very high	91.3	Very high	92 Å²	92	66.4 Å²	66.4	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-66.7	-24.2	177	-77.2	-38.3	0	0	0	113.8	I428 R436	I428-N432 WeakPolarHBondContact CG2-ND2 3.47Å; I428-N432 VanDerWaalsContact O-CB 3.26Å; I428-N432 WeakPolarHBondContact O-CB 3.34Å; I428-N432 PolarHBondContact O-N 3.12Å; I428-N432 VanDerWaalsContact O-N 3.09Å; I428-N432 PolarHBondContact O-ND2 2.96Å; N432-R436 WeakPolarHBondContact O-CD 3.3Å; N432-R436 WeakPolarHBondContact O-CG 3.41Å
433	A	94.3	Very high	90.7	Very high	27.5 Å²	27.5	68.4 Å²	68.4	23%	0.227	35%	0.347	C	S	.	.	H	α-helix	trans	-77.3	-49.3	171.3	0	0	0	0	0	110.7	F402 R429 A430 M431 A435 R436 E437 L439	F402-A433 HydrophobicContact CD1-CB 4.44Å; F402-A433 HydrophobicContact CE1-CB 3.52Å; F402-A433 VanDerWaalsContact CE1-CB 3.48Å; F402-A433 HydrophobicContact CZ-CB 4Å; R429-A433 WeakPolarHBondContact O-CB 3.34Å; R429-A433 PolarHBondContact O-N 3.13Å; A430-A433 PolarHBondContact O-N 2.88Å; M431-A433 VanDerWaalsContact C-N 3.27Å; M431-A433 PolarHBondContact O-N 3.08Å; A433-A435 VanDerWaalsContact C-N 3.28Å; A433-A435 PolarHBondContact O-N 3.11Å; A433-R436 WeakPolarHBondContact O-CB 3.38Å; A433-R436 PolarHBondContact O-N 2.94Å; A433-E437 PolarHBondContact O-N 3.32Å; A433-L439 HydrophobicContact CB-CD2 4.38Å
434	H	93.3	Very high	90.3	Very high	40.5 Å²	40.5	71.5 Å²	71.5	19%	0.188	36%	0.356	C	S	.	.	H	α-helix	trans	-57.3	-38.4	177.8	-179.8	78.3	0	0	0	113.1	A430 M431 R436 E437 L439 L446 L448	A430-H434 WeakPolarHBondContact O-CB 3.32Å; A430-H434 PolarHBondContact O-N 3.27Å; M431-H434 PolarHBondContact O-N 2.81Å; H434-R436 PolarHBondContact O-N 2.87Å; H434-E437 WeakPolarHBondContact CA-O 3.26Å; H434-E437 CarbonylContact O-C 3.5Å; H434-E437 VanDerWaalsContact O-C 3.27Å; H434-E437 PolarHBondContact O-N 2.97Å; H434-L439 HydrophobicContact CB-CD1 4.35Å; H434-L439 HydrophobicContact CB-CG 4.02Å; H434-L439 PolarHBondContact ND1-N 3.29Å; H434-L446 PolarHBondContact CE1-O 2.78Å; H434-L448 HydrophobicContact CB-CD1 3.43Å; H434-L448 VanDerWaalsContact CB-CD1 3.43Å; H434-L448 HydrophobicContact CB-CG 4.29Å
435	A	91.6	Very high	90.2	Very high	82.5 Å²	82.5	74.7 Å²	74.7	68%	0.682	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-8.7	175.7	0	0	0	0	0	114.7	M431 A433	M431-A435 WeakPolarHBondContact O-CB 3.39Å; M431-A435 PolarHBondContact O-N 3.02Å; A433-A435 VanDerWaalsContact C-N 3.28Å; A433-A435 PolarHBondContact O-N 3.11Å
436	R	92	Very high	90.3	Very high	221.5 Å²	221.5	68.2 Å²	68.2	84%	0.836	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-42	171.7	-66.4	171.6	179.8	-150.6	-2.3	111.6	N432 A433 H434	N432-R436 WeakPolarHBondContact O-CD 3.3Å; N432-R436 WeakPolarHBondContact O-CG 3.41Å; A433-R436 WeakPolarHBondContact O-CB 3.38Å; A433-R436 PolarHBondContact O-N 2.94Å; H434-R436 PolarHBondContact O-N 2.87Å
437	E	90	Very high	90.3	Very high	148 Å²	148	71.7 Å²	71.7	69%	0.692	38%	0.377	S	S	*	.	S	Bend	trans	-145.7	118.2	178.3	-176.1	-179.6	-176.9	0	0	108.2	A433 H434 L439	A433-E437 PolarHBondContact O-N 3.32Å; H434-E437 WeakPolarHBondContact CA-O 3.26Å; H434-E437 CarbonylContact O-C 3.5Å; H434-E437 VanDerWaalsContact O-C 3.27Å; H434-E437 PolarHBondContact O-N 2.97Å; E437-L439 PolarHBondContact O-N 3.08Å
438	P	90.3	Very high	90.3	Very high	72 Å²	72	72.6 Å²	72.6	47%	0.468	38%	0.382	S	S	.	.			trans	-59.2	110.2	-178.1	-26.8	35.5	0	0	0	111.6	R440 P445	P438-R440 VanDerWaalsContact O-CG 3.24Å; P438-R440 WeakPolarHBondContact O-CG 3.38Å; P438-R440 PolarHBondContact O-N 3.11Å; P438-P445 HydrophobicContact CB-CB 4.12Å
439	L	91.4	Very high	90.4	Very high	30.5 Å²	30.5	72.4 Å²	72.4	16%	0.16	39%	0.387	C	S	.	.			trans	-53.6	131.9	176.9	-55.4	-176.1	0	0	0	110.6	F399 F402 A433 H434 E437 L446 L448	F399-L439 HydrophobicContact CE1-CD1 4.17Å; F399-L439 HydrophobicContact CZ-CD1 4.41Å; F402-L439 HydrophobicContact CE2-CD1 3.57Å; F402-L439 HydrophobicContact CZ-CD1 3.55Å; F402-L439 HydrophobicContact CZ-CD2 3.94Å; F402-L439 HydrophobicContact CZ-CG 4.42Å; A433-L439 HydrophobicContact CB-CD2 4.38Å; H434-L439 HydrophobicContact CB-CD1 4.35Å; H434-L439 HydrophobicContact CB-CG 4.02Å; H434-L439 PolarHBondContact ND1-N 3.29Å; E437-L439 PolarHBondContact O-N 3.08Å; L439-L446 HydrophobicContact CB-CD1 4.41Å; L439-L446 WeakPolarHBondContact O-CB 3.26Å; L439-L446 PolarHBondContact O-N 2.86Å; L439-L448 HydrophobicContact CD1-CD1 4.16Å
440	R	89.4	Confident	90.4	Very high	169 Å²	169	68.5 Å²	68.5	64%	0.638	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.9	-176.6	-49.2	178.7	75.3	153.1	-0.6	111.1	P438 G443 R444	P438-R440 VanDerWaalsContact O-CG 3.24Å; P438-R440 WeakPolarHBondContact O-CG 3.38Å; P438-R440 PolarHBondContact O-N 3.11Å; R440-G443 VanDerWaalsContact CZ-O 3.25Å; R440-G443 PolarHBondContact NE-O 3.12Å; R440-G443 PolarHBondContact NH2-O 3.21Å; R440-R444 CarbonylContact C-O 3.58Å; R440-R444 WeakPolarHBondContact CA-O 3.32Å; R440-R444 WeakPolarHBondContact CB-O 3.4Å
441	L	85.6	Confident	90.2	Very high	34 Å²	34	70.2 Å²	70.2	18%	0.178	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.6	170.9	-156.1	66.6	0	0	0	108	L382 V390 L395 A398 G443 R444 L446	L382-L441 HydrophobicContact CD2-CD2 4.49Å; V390-L441 HydrophobicContact CB-CD2 4.4Å; V390-L441 HydrophobicContact CG1-CD2 3.52Å; V390-L441 HydrophobicContact CG2-CD2 3.92Å; V390-L441 HydrophobicContact CG2-CG 4.44Å; L395-L441 HydrophobicContact CD2-CD2 3.9Å; A398-L441 HydrophobicContact CB-CD1 4.21Å; L441-G443 PolarHBondContact O-N 2.8Å; L441-R444 PolarHBondContact N-O 3.01Å; L441-R444 VanDerWaalsContact N-O 3.08Å; L441-R444 PolarHBondContact O-N 3.05Å; L441-R444 VanDerWaalsContact O-N 3.13Å; L441-L446 HydrophobicContact CB-CD1 4.22Å; L441-L446 HydrophobicContact CB-CD2 3.94Å; L441-L446 HydrophobicContact CB-CG 4.27Å
442	G	78.2	Confident	89.9	Confident	42 Å²	42	71.8 Å²	71.8	43%	0.433	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	20.2	-169.9	0	0	0	0	0	114.3	R444	G442-R444 VanDerWaalsContact C-N 3.3Å; G442-R444 PolarHBondContact O-N 3.1Å
443	G	79.3	Confident	89.8	Confident	47.5 Å²	47.5	67.5 Å²	67.5	49%	0.49	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-16.5	-175.7	0	0	0	0	0	115.8	R440 L441	R440-G443 VanDerWaalsContact CZ-O 3.25Å; R440-G443 PolarHBondContact NE-O 3.12Å; R440-G443 PolarHBondContact NH2-O 3.21Å; L441-G443 PolarHBondContact O-N 2.8Å
444	R	82.2	Confident	89.6	Confident	152 Å²	152	70.2 Å²	70.2	57%	0.574	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	148.2	176	-60.5	-154.9	-169	174.1	1.5	111.6	T383 R440 L441 G442	T383-R444 HydrophobicContact CG2-CB 4.27Å; T383-R444 HydrophobicContact CG2-CG 3.9Å; R440-R444 CarbonylContact C-O 3.58Å; R440-R444 WeakPolarHBondContact CA-O 3.32Å; R440-R444 WeakPolarHBondContact CB-O 3.4Å; L441-R444 PolarHBondContact N-O 3.01Å; L441-R444 VanDerWaalsContact N-O 3.08Å; L441-R444 PolarHBondContact O-N 3.05Å; L441-R444 VanDerWaalsContact O-N 3.13Å; G442-R444 VanDerWaalsContact C-N 3.3Å; G442-R444 PolarHBondContact O-N 3.1Å
445	P	88	Confident	89.6	Confident	74.5 Å²	74.5	71.5 Å²	71.5	48%	0.484	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	136	171.8	30.4	-33.8	0	0	0	110.2	P438	P438-P445 HydrophobicContact CB-CB 4.12Å
446	L	93.5	Very high	89.7	Confident	8 Å²	8	69.8 Å²	69.8	4%	0.042	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-76.9	151.3	171.7	-59.3	177	0	0	0	109.9	V379 A380 L382 F399 H434 L439 L441 L448	V379-L446 HydrophobicContact CG1-CB 4.26Å; V379-L446 HydrophobicContact CG1-CD1 3.86Å; V379-L446 HydrophobicContact CG1-CD2 4.18Å; V379-L446 HydrophobicContact CG1-CG 4.33Å; A380-L446 CarbonylContact O-C 3.51Å; A380-L446 WeakPolarHBondContact O-CA 3.41Å; L382-L446 HydrophobicContact CD2-CD2 3.69Å; F399-L446 HydrophobicContact CE2-CD1 3.93Å; F399-L446 HydrophobicContact CZ-CD1 3.81Å; H434-L446 PolarHBondContact CE1-O 2.78Å; L439-L446 HydrophobicContact CB-CD1 4.41Å; L439-L446 WeakPolarHBondContact O-CB 3.26Å; L439-L446 PolarHBondContact O-N 2.86Å; L441-L446 HydrophobicContact CB-CD1 4.22Å; L441-L446 HydrophobicContact CB-CD2 3.94Å; L441-L446 HydrophobicContact CB-CG 4.27Å; L446-L448 HydrophobicContact CB-CD2 4.36Å
447	S	92.9	Very high	89.8	Confident	75 Å²	75	62.3 Å²	62.3	52%	0.524	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.8	164.5	-179.3	0	0	0	0	109.3	V379 A380	V379-S447 WeakPolarHBondContact CA-O 3.44Å; A380-S447 PolarHBondContact N-O 2.79Å; A380-S447 PolarHBondContact O-N 3.16Å
448	L	94.9	Very high	90.1	Very high	17.5 Å²	17.5	55.5 Å²	55.5	9%	0.092	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.1	-177.7	-56.5	-171.7	0	0	0	111.5	L377 H378 V379 F399 M431 H434 L439 L446	L377-L448 HydrophobicContact CD1-CB 4.37Å; L377-L448 HydrophobicContact CD2-CD1 4.35Å; L377-L448 HydrophobicContact CD2-CD2 4.22Å; H378-L448 WeakPolarHBondContact O-CA 3.26Å; V379-L448 HydrophobicContact CB-CD2 4.27Å; V379-L448 HydrophobicContact CG1-CD2 3.94Å; V379-L448 HydrophobicContact CG2-CD2 3.92Å; F399-L448 HydrophobicContact CE1-CD2 4.12Å; F399-L448 HydrophobicContact CZ-CD2 3.98Å; M431-L448 HydrophobicContact CE-CB 3.98Å; M431-L448 HydrophobicContact SD-CB 4.04Å; H434-L448 HydrophobicContact CB-CD1 3.43Å; H434-L448 VanDerWaalsContact CB-CD1 3.43Å; H434-L448 HydrophobicContact CB-CG 4.29Å; L439-L448 HydrophobicContact CD1-CD1 4.16Å; L446-L448 HydrophobicContact CB-CD2 4.36Å
449	A	94.1	Very high	90.4	Very high	39.5 Å²	39.5	52.1 Å²	52.1	33%	0.326	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.9	171.6	0	0	0	0	0	111.4	H378	H378-A449 HydrophobicContact CB-CB 4.43Å; H378-A449 PolarHBondContact N-O 2.88Å; H378-A449 PolarHBondContact O-N 3.15Å
450	Y	94.1	Very high	90.5	Very high	27.5 Å²	27.5	51.3 Å²	51.3	11%	0.108	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.2	163.5	-63.5	-61.6	0	0	0	109.4	S372 P373 L377 P427 M431	S372-Y450 WeakPolarHBondContact O-CB 3.38Å; P373-Y450 HydrophobicContact CB-CE1 4.26Å; P373-Y450 HydrophobicContact CB-CE2 4.19Å; P373-Y450 HydrophobicContact CG-CE2 4.08Å; L377-Y450 HydrophobicContact CD1-CD1 4.33Å; L377-Y450 HydrophobicContact CD1-CE1 4.4Å; P427-Y450 HydrophobicContact CB-CD1 4.23Å; P427-Y450 HydrophobicContact CB-CE1 3.77Å; P427-Y450 HydrophobicContact CG-CE1 4.32Å; M431-Y450 HydrophobicContact CB-CE1 4.44Å; M431-Y450 VanDerWaalsContact CB-OH 3.29Å; M431-Y450 WeakPolarHBondContact CB-OH 3.34Å; M431-Y450 HydrophobicContact CE-CD1 4.46Å; M431-Y450 HydrophobicContact CE-CD2 4.23Å; M431-Y450 HydrophobicContact CE-CE1 4.34Å; M431-Y450 HydrophobicContact CE-CE2 4.05Å; M431-Y450 HydrophobicContact CE-CG 4.39Å; M431-Y450 HydrophobicContact CG-CE2 4.32Å
451	T	91.4	Very high	90.7	Very high	35.5 Å²	35.5	43.3 Å²	43.3	22%	0.218	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.8	178.1	-61	0	0	0	0	108.4	T374 T376 H378 L418 S453	T374-T451 WeakPolarHBondContact CB-O 3.49Å; T374-T451 WeakPolarHBondContact CG2-O 3.5Å; T374-T451 PolarHBondContact OG1-O 3.47Å; T376-T451 PolarHBondContact O-N 3.41Å; H378-T451 VanDerWaalsContact CB-OG1 3.3Å; H378-T451 WeakPolarHBondContact CB-OG1 3.42Å; L418-T451 HydrophobicContact CD2-CG2 4.12Å; T451-S453 PolarHBondContact O-N 3.03Å; T451-S453 VanDerWaalsContact O-N 3.14Å
452	P	88.9	Confident	90.8	Very high	71 Å²	71	42.6 Å²	42.6	46%	0.461	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-47.8	125	171.5	-29.2	36.4	0	0	0	111
453	S	91.1	Very high	91.2	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-76.1	152.8	173.6	-70.1	0	0	0	0	110.4	R375 T376 T451 P455 D574 F575	R375-S453 PolarHBondContact N-OG 3.24Å; R375-S453 VanDerWaalsContact NH2-CB 3.34Å; T376-S453 WeakPolarHBondContact CB-OG 3.49Å; T376-S453 PolarHBondContact N-OG 3.28Å; T376-S453 WeakPolarHBondContact OG1-CA 3.3Å; T376-S453 WeakPolarHBondContact OG1-CB 3.45Å; T376-S453 PolarHBondContact OG1-OG 2.96Å; T451-S453 PolarHBondContact O-N 3.03Å; T451-S453 VanDerWaalsContact O-N 3.14Å; S453-P455 WeakPolarHBondContact O-CD 3.35Å; S453-D574 VanDerWaalsContact CB-OD2 3.29Å; S453-D574 WeakPolarHBondContact CB-OD2 3.4Å; S453-D574 PolarHBondContact OG-OD2 2.9Å; S453-D574 VanDerWaalsContact OG-OD2 3.12Å; S453-F575 WeakPolarHBondContact O-CD2 3.18Å
454	T	90	Very high	91.6	Very high	84.5 Å²	84.5	42 Å²	42	52%	0.518	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-47.1	122.2	-179.7	-41.8	0	0	0	0	110.9
455	P	92.2	Very high	91.8	Very high	68.5 Å²	68.5	35.5 Å²	35.5	45%	0.445	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-59.5	142.6	177.8	-26.1	35.7	0	0	0	112.3	S453 T523 I527 F575	S453-P455 WeakPolarHBondContact O-CD 3.35Å; P455-T523 HydrophobicContact CB-CG2 3.86Å; P455-T523 VanDerWaalsContact CB-CG2 3.43Å; P455-I527 HydrophobicContact CB-CD1 4.42Å; P455-F575 HydrophobicContact CB-CE1 4.14Å; P455-F575 HydrophobicContact CB-CE2 4.12Å; P455-F575 HydrophobicContact CB-CZ 3.83Å; P455-F575 HydrophobicContact CG-CE2 4.23Å; P455-F575 HydrophobicContact CG-CZ 4.3Å
456	T	94.1	Very high	91.5	Very high	46.5 Å²	46.5	34.1 Å²	34.1	29%	0.285	21%	0.212	S	C	.	.			trans	-142	165.6	171.8	63.6	0	0	0	0	109.2	S458 A526 F575	T456-S458 PolarHBondContact O-N 3Å; T456-S458 PolarHBondContact OG1-O 3.37Å; T456-A526 VanDerWaalsContact O-CB 3.23Å; T456-A526 WeakPolarHBondContact O-CB 3.34Å; T456-F575 VanDerWaalsContact N-CD1 3.27Å; T456-F575 VanDerWaalsContact O-CD1 3.27Å; T456-F575 WeakPolarHBondContact O-CD1 3.39Å; T456-F575 WeakPolarHBondContact O-CE1 3.43Å
457	T	95.1	Very high	91.1	Very high	62.5 Å²	62.5	35.5 Å²	35.5	38%	0.383	22%	0.223	S	C	.	.	S	Bend	trans	-69.5	-5.6	176.3	45.3	0	0	0	0	114.3	L520 T523	T457-L520 WeakPolarHBondContact CB-O 3.45Å; T457-L520 PolarHBondContact O-N 3.04Å; T457-T523 HydrophobicContact CG2-CG2 4.36Å
458	S	95.8	Very high	90.8	Very high	6 Å²	6	32 Å²	32	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.4	-176.4	-55.5	0	0	0	0	112.5	T456 Y517 I518 F575 A576	T456-S458 PolarHBondContact O-N 3Å; T456-S458 PolarHBondContact OG1-O 3.37Å; S458-Y517 VanDerWaalsContact CB-CE2 3.49Å; S458-Y517 WeakPolarHBondContact CB-OH 3.42Å; S458-Y517 PolarHBondContact OG-OH 3.2Å; S458-I518 CarbonylContact C-O 3.3Å; S458-I518 WeakPolarHBondContact CA-O 3.29Å; S458-I518 WeakPolarHBondContact CB-O 3.36Å; S458-F575 CarbonylContact O-C 3.43Å; S458-F575 WeakPolarHBondContact O-CA 3.48Å; S458-A576 PolarHBondContact O-N 2.9Å
459	L	95.9	Very high	90.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	154	175.4	-55.2	-175.6	0	0	0	111.4	Y517 I518 L520 A526 L529 L530 V573 D574 F575	L459-Y517 WeakPolarHBondContact O-CA 3.42Å; L459-I518 HydrophobicContact CB-CB 4.44Å; L459-I518 PolarHBondContact N-O 2.97Å; L459-I518 PolarHBondContact O-N 3.28Å; L459-L520 HydrophobicContact CG-CD1 4.25Å; L459-A526 HydrophobicContact CD2-CB 4.09Å; L459-A526 HydrophobicContact CG-CB 4.41Å; L459-L529 HydrophobicContact CD1-CB 4.08Å; L459-L529 HydrophobicContact CD1-CD2 4.03Å; L459-L529 HydrophobicContact CD1-CG 3.94Å; L459-L530 HydrophobicContact CD1-CB 3.97Å; L459-L530 HydrophobicContact CD2-CB 3.94Å; L459-L530 HydrophobicContact CD2-CD1 4.33Å; L459-L530 HydrophobicContact CD2-CD2 4.32Å; L459-L530 HydrophobicContact CD2-CG 4.44Å; L459-V573 HydrophobicContact CB-CG2 4.36Å; L459-D574 WeakPolarHBondContact CA-O 3.32Å; L459-F575 HydrophobicContact CD2-CD1 3.56Å; L459-F575 HydrophobicContact CD2-CE1 3.86Å; L459-F575 HydrophobicContact CD2-CG 4.28Å
460	W	94.7	Very high	89.9	Confident	15 Å²	15	36 Å²	36	6%	0.057	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111.4	175.9	177.2	-88.9	0	0	0	110.8	M424 S462 I492 R494 A515 Y517 V573 D574 A576 Q580 V584	M424-W460 WeakPolarHBondContact CE-O 3.22Å; W460-S462 VanDerWaalsContact CD1-OG 3.27Å; W460-S462 PolarHBondContact NE1-OG 2.85Å; W460-I492 HydrophobicContact CH2-CD1 3.69Å; W460-I492 HydrophobicContact CZ3-CD1 3.67Å; W460-R494 VanDerWaalsContact CZ2-NH2 3.31Å; W460-A515 HydrophobicContact CZ2-CB 4.33Å; W460-Y517 HydrophobicContact CE3-CD2 4.32Å; W460-V573 WeakPolarHBondContact O-CA 3.39Å; W460-D574 PolarHBondContact N-O 3.28Å; W460-D574 PolarHBondContact O-N 3.41Å; W460-A576 HydrophobicContact CB-CB 4.27Å; W460-Q580 VanDerWaalsContact CD1-NE2 3.26Å; W460-Q580 HydrophobicContact CD2-CB 4.22Å; W460-Q580 HydrophobicContact CD2-CG 3.89Å; W460-Q580 HydrophobicContact CE3-CB 3.85Å; W460-Q580 HydrophobicContact CE3-CG 3.97Å; W460-Q580 HydrophobicContact CG-CG 4.4Å; W460-Q580 HydrophobicContact CH2-CB 4.49Å; W460-Q580 HydrophobicContact CH2-CG 4.19Å; W460-Q580 HydrophobicContact CZ2-CG 4.12Å; W460-Q580 HydrophobicContact CZ3-CB 4.01Å; W460-Q580 HydrophobicContact CZ3-CG 4.13Å; W460-Q580 VanDerWaalsContact NE1-NE2 3.17Å; W460-V584 HydrophobicContact CZ3-CG2 4.1Å
461	I	92.7	Very high	89.6	Confident	0.5 Å²	0.5	37 Å²	37	0%	0.003	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118	171.2	-54.2	179.8	0	0	0	108	D463 L464 A515 A516 I518 L533 I571 V573	I461-D463 VanDerWaalsContact C-N 3.34Å; I461-D463 WeakPolarHBondContact CG2-O 3.38Å; I461-D463 PolarHBondContact O-N 3.05Å; I461-L464 HydrophobicContact CD1-CD1 3.85Å; I461-L464 HydrophobicContact CG2-CD1 4.21Å; I461-A515 WeakPolarHBondContact O-CA 3.33Å; I461-A515 WeakPolarHBondContact O-CB 3.3Å; I461-A516 HydrophobicContact CB-CB 4.17Å; I461-A516 HydrophobicContact CD1-CB 4.31Å; I461-A516 HydrophobicContact CG1-CB 4.47Å; I461-A516 PolarHBondContact N-O 3.01Å; I461-A516 PolarHBondContact O-N 3.27Å; I461-A516 VanDerWaalsContact O-N 3.12Å; I461-I518 HydrophobicContact CD1-CD1 3.71Å; I461-I518 HydrophobicContact CG1-CD1 4.31Å; I461-L533 HydrophobicContact CD1-CD1 4.15Å; I461-I571 HydrophobicContact CG2-CG2 4.19Å; I461-V573 HydrophobicContact CG1-CB 4.1Å; I461-V573 HydrophobicContact CG1-CG2 3.73Å
462	S	87.9	Confident	89.5	Confident	19.5 Å²	19.5	39 Å²	39	14%	0.136	24%	0.236	C	C	.	.	S	Bend	trans	-80.1	-16.4	-173	-67.7	0	0	0	0	115	M424 W460 R494 A572	M424-S462 WeakPolarHBondContact CE-OG 3.5Å; W460-S462 VanDerWaalsContact CD1-OG 3.27Å; W460-S462 PolarHBondContact NE1-OG 2.85Å; S462-R494 VanDerWaalsContact O-CZ 3.32Å; S462-R494 PolarHBondContact O-NH1 3.07Å; S462-R494 PolarHBondContact O-NH2 3.38Å; S462-A572 WeakPolarHBondContact CB-O 3.41Å; S462-A572 PolarHBondContact N-O 3.13Å; S462-A572 PolarHBondContact OG-O 2.87Å
463	D	86.7	Confident	89.6	Confident	67 Å²	67	38.1 Å²	38.1	36%	0.358	23%	0.228	S	C	.	.	S	Bend	trans	-160.9	109.9	175.5	-160.1	28.1	0	0	0	104.8	I461 H513	I461-D463 VanDerWaalsContact C-N 3.34Å; I461-D463 WeakPolarHBondContact CG2-O 3.38Å; I461-D463 PolarHBondContact O-N 3.05Å; D463-H513 IonicContact OD1-CE1 3.49Å; D463-H513 IonicContact OD1-CG 2.69Å; D463-H513 IonicContact OD1-ND1 3.13Å; D463-H513 PolarHBondContact OD1-ND1 3.32Å; D463-H513 IonicContact OD2-CE1 2.99Å; D463-H513 IonicContact OD2-ND1 3.44Å
464	L	88.1	Confident	89.6	Confident	8.5 Å²	8.5	42.6 Å²	42.6	5%	0.045	25%	0.249	C	C	.	.			trans	-73.4	125.2	-174.1	-171	66.4	0	0	0	108.9	I461 L468 A469 L476 L491 C514 A516	I461-L464 HydrophobicContact CD1-CD1 3.85Å; I461-L464 HydrophobicContact CG2-CD1 4.21Å; L464-L468 HydrophobicContact CD1-CB 3.81Å; L464-L468 HydrophobicContact CD1-CD1 4.08Å; L464-L468 HydrophobicContact CD2-CB 4.39Å; L464-L468 HydrophobicContact CG-CB 3.94Å; L464-A469 HydrophobicContact CB-CB 4.31Å; L464-A469 HydrophobicContact CD2-CB 3.92Å; L464-A469 HydrophobicContact CG-CB 4.09Å; L464-L476 HydrophobicContact CD2-CD2 4.49Å; L464-L491 HydrophobicContact CD2-CD2 3.94Å; L464-C514 WeakPolarHBondContact CB-O 3.43Å; L464-C514 PolarHBondContact N-O 3.37Å; L464-A516 HydrophobicContact CD1-CB 4.24Å
465	P	85.2	Confident	89.6	Confident	17 Å²	17	43.1 Å²	43.1	11%	0.11	25%	0.245	C	C	.	.			trans	-57.3	145.4	179.9	-25.5	34.7	0	0	0	111.6	S467 L468 A469 Y539 I571	P465-S467 PolarHBondContact O-N 2.89Å; P465-S467 VanDerWaalsContact O-N 3.09Å; P465-L468 CarbonylContact O-C 3.55Å; P465-L468 WeakPolarHBondContact O-CA 3.47Å; P465-L468 PolarHBondContact O-N 2.84Å; P465-A469 WeakPolarHBondContact O-CB 3.5Å; P465-A469 PolarHBondContact O-N 2.99Å; P465-Y539 WeakPolarHBondContact CB-O 3.49Å; P465-I571 HydrophobicContact CG-CD1 3.83Å; P465-I571 HydrophobicContact CG-CG1 3.86Å; P465-I571 HydrophobicContact CG-CG2 4.17Å
466	P	82.5	Confident	89.6	Confident	44 Å²	44	40 Å²	40	29%	0.286	23%	0.225	S	C	.	.	H	α-helix	trans	-54.9	-31.9	177.8	-28.2	36.2	0	0	0	113.7	L468 A469 N470 P511	P466-L468 PolarHBondContact O-N 3.37Å; P466-A469 PolarHBondContact O-N 3.3Å; P466-N470 WeakPolarHBondContact O-CB 3.3Å; P466-N470 PolarHBondContact O-N 3.01Å; P466-N470 PolarHBondContact O-OD1 3.12Å; P466-P511 HydrophobicContact CB-CB 4.05Å; P466-P511 HydrophobicContact CB-CG 4.15Å; P466-P511 HydrophobicContact CG-CB 3.88Å; P466-P511 HydrophobicContact CG-CG 3.7Å
467	S	84.5	Confident	89.6	Confident	38.5 Å²	38.5	38.4 Å²	38.4	27%	0.269	21%	0.214	S	C	.	.	H	α-helix	trans	-64.1	-13.1	172.8	32.5	0	0	0	0	115.4	P465 Y539 S541	P465-S467 PolarHBondContact O-N 2.89Å; P465-S467 VanDerWaalsContact O-N 3.09Å; S467-Y539 PolarHBondContact OG-O 2.86Å; S467-S541 PolarHBondContact OG-N 3.1Å
468	L	86.9	Confident	89.4	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-116	-29.1	171	-68.5	177.6	0	0	0	111.9	L464 P465 P466 N470 L471 L476 T479 L533 Y539	L464-L468 HydrophobicContact CD1-CB 3.81Å; L464-L468 HydrophobicContact CD1-CD1 4.08Å; L464-L468 HydrophobicContact CD2-CB 4.39Å; L464-L468 HydrophobicContact CG-CB 3.94Å; P465-L468 CarbonylContact O-C 3.55Å; P465-L468 WeakPolarHBondContact O-CA 3.47Å; P465-L468 PolarHBondContact O-N 2.84Å; P466-L468 PolarHBondContact O-N 3.37Å; L468-N470 VanDerWaalsContact C-N 3.34Å; L468-L471 HydrophobicContact CD2-CD1 3.88Å; L468-L476 HydrophobicContact CB-CD1 4.07Å; L468-L476 HydrophobicContact CD2-CD1 4.11Å; L468-T479 HydrophobicContact CD2-CG2 4.29Å; L468-L533 HydrophobicContact CD1-CD2 4.44Å; L468-Y539 HydrophobicContact CD1-CD1 4.47Å; L468-Y539 HydrophobicContact CD1-CG 4.36Å; L468-Y539 HydrophobicContact CD2-CD1 3.73Å; L468-Y539 HydrophobicContact CD2-CE1 4.3Å; L468-Y539 HydrophobicContact CD2-CG 4.39Å; L468-Y539 HydrophobicContact CG-CD1 4.32Å
469	A	85.5	Confident	89.2	Confident	22 Å²	22	42 Å²	42	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-77.5	-16.9	179.5	0	0	0	0	0	114	L464 P465 P466 P512	L464-A469 HydrophobicContact CB-CB 4.31Å; L464-A469 HydrophobicContact CD2-CB 3.92Å; L464-A469 HydrophobicContact CG-CB 4.09Å; P465-A469 WeakPolarHBondContact O-CB 3.5Å; P465-A469 PolarHBondContact O-N 2.99Å; P466-A469 PolarHBondContact O-N 3.3Å; A469-P512 HydrophobicContact CB-CG 4.47Å
470	N	84.6	Confident	89	Confident	118 Å²	118	42.1 Å²	42.1	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.4	175.5	-65.4	8.7	0	0	0	113.5	P466 L468	P466-N470 WeakPolarHBondContact O-CB 3.3Å; P466-N470 PolarHBondContact O-N 3.01Å; P466-N470 PolarHBondContact O-OD1 3.12Å; L468-N470 VanDerWaalsContact C-N 3.34Å
471	L	87.3	Confident	88.9	Confident	49 Å²	49	43.4 Å²	43.4	26%	0.257	24%	0.24	S	C	.	.	S	Bend	trans	-71.8	152.8	174.1	-63.7	179.3	0	0	0	110	L468 E475 L476 T479	L468-L471 HydrophobicContact CD2-CD1 3.88Å; L471-E475 HydrophobicContact CB-CB 4.06Å; L471-E475 HydrophobicContact CD2-CB 4.37Å; L471-L476 HydrophobicContact CB-CB 4.17Å; L471-L476 HydrophobicContact CD1-CB 4.48Å; L471-L476 HydrophobicContact CD1-CD1 4.36Å; L471-T479 HydrophobicContact CD1-CG2 4.44Å
472	T	89.8	Confident	88.8	Confident	77.5 Å²	77.5	49.4 Å²	49.4	48%	0.475	27%	0.268	S	S	.	.			trans	-63.8	160	164.4	62	0	0	0	0	110.6	E474 E475 L476	T472-E474 PolarHBondContact O-N 3.25Å; T472-E475 VanDerWaalsContact CB-OE2 3.31Å; T472-E475 WeakPolarHBondContact CB-OE2 3.36Å; T472-E475 WeakPolarHBondContact CG2-OE2 3.38Å; T472-E475 PolarHBondContact N-OE2 2.94Å; T472-E475 PolarHBondContact O-N 3.18Å; T472-E475 VanDerWaalsContact OG1-CB 3.28Å; T472-E475 WeakPolarHBondContact OG1-CB 3.39Å; T472-E475 VanDerWaalsContact OG1-CD 3.23Å; T472-E475 WeakPolarHBondContact OG1-CG 3.46Å; T472-E475 PolarHBondContact OG1-N 3.13Å; T472-E475 PolarHBondContact OG1-OE2 3.27Å; T472-L476 VanDerWaalsContact O-CB 3.32Å; T472-L476 WeakPolarHBondContact O-CB 3.37Å; T472-L476 PolarHBondContact O-N 2.78Å
473	D	91	Very high	88.9	Confident	52 Å²	52	50.5 Å²	50.5	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-32.8	-177.9	-70.8	-3.1	0	0	0	112.1	L477 R602 I604	D473-L477 WeakPolarHBondContact O-CB 3.42Å; D473-L477 PolarHBondContact O-N 3.07Å; D473-L477 VanDerWaalsContact O-N 3.15Å; D473-R602 IonicContact OD1-CZ 3.66Å; D473-R602 VanDerWaalsContact OD1-CZ 3.31Å; D473-R602 IonicContact OD1-NH1 2.77Å; D473-R602 PolarHBondContact OD1-NH1 3.21Å; D473-R602 IonicContact OD1-NH2 3.16Å; D473-R602 PolarHBondContact OD1-NH2 3.02Å; D473-R602 IonicContact OD2-CZ 2.72Å; D473-R602 IonicContact OD2-NH1 3.55Å; D473-R602 PolarHBondContact OD2-NH1 3.17Å; D473-I604 HydrophobicContact CB-CD1 3.58Å; D473-I604 HydrophobicContact CB-CG1 3.84Å; D473-I604 HydrophobicContact CB-CG2 4.24Å
474	E	90.3	Very high	89.2	Confident	97 Å²	97	47.5 Å²	47.5	45%	0.453	26%	0.256	S	S	.	.	H	α-helix	trans	-73.1	-47.4	175.6	-66.3	174.1	-167.2	0	0	111.7	T472 L476 L477 H478 I609	T472-E474 PolarHBondContact O-N 3.25Å; E474-L476 VanDerWaalsContact C-N 3.32Å; E474-L476 PolarHBondContact O-N 3.11Å; E474-L477 PolarHBondContact O-N 2.89Å; E474-H478 WeakPolarHBondContact O-CB 3.39Å; E474-H478 PolarHBondContact O-N 3.35Å; E474-I609 HydrophobicContact CG-CD1 4.11Å; E474-I609 HydrophobicContact CG-CG1 4.43Å
475	E	91.4	Very high	89.4	Confident	95 Å²	95	50 Å²	50	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-59.8	-40.2	174.2	-74.4	167.1	138.6	0	0	112.2	L471 T472 H478 T479	L471-E475 HydrophobicContact CB-CB 4.06Å; L471-E475 HydrophobicContact CD2-CB 4.37Å; T472-E475 VanDerWaalsContact CB-OE2 3.31Å; T472-E475 WeakPolarHBondContact CB-OE2 3.36Å; T472-E475 WeakPolarHBondContact CG2-OE2 3.38Å; T472-E475 PolarHBondContact N-OE2 2.94Å; T472-E475 PolarHBondContact O-N 3.18Å; T472-E475 VanDerWaalsContact OG1-CB 3.28Å; T472-E475 WeakPolarHBondContact OG1-CB 3.39Å; T472-E475 VanDerWaalsContact OG1-CD 3.23Å; T472-E475 WeakPolarHBondContact OG1-CG 3.46Å; T472-E475 PolarHBondContact OG1-N 3.13Å; T472-E475 PolarHBondContact OG1-OE2 3.27Å; E475-H478 PolarHBondContact O-N 3.47Å; E475-T479 WeakPolarHBondContact O-CB 3.25Å; E475-T479 PolarHBondContact O-N 3.01Å; E475-T479 PolarHBondContact O-OG1 2.94Å
476	L	92	Very high	89.8	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-45.2	178.6	178.3	60.7	0	0	0	111.3	L464 L468 L471 T472 E474 L480 I489 L491 I604	L464-L476 HydrophobicContact CD2-CD2 4.49Å; L468-L476 HydrophobicContact CB-CD1 4.07Å; L468-L476 HydrophobicContact CD2-CD1 4.11Å; L471-L476 HydrophobicContact CB-CB 4.17Å; L471-L476 HydrophobicContact CD1-CB 4.48Å; L471-L476 HydrophobicContact CD1-CD1 4.36Å; T472-L476 VanDerWaalsContact O-CB 3.32Å; T472-L476 WeakPolarHBondContact O-CB 3.37Å; T472-L476 PolarHBondContact O-N 2.78Å; E474-L476 VanDerWaalsContact C-N 3.32Å; E474-L476 PolarHBondContact O-N 3.11Å; L476-L480 HydrophobicContact CD1-CD1 3.82Å; L476-L480 HydrophobicContact CD1-CG 4.35Å; L476-L480 HydrophobicContact CG-CD1 4.19Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 3.24Å; L476-I489 HydrophobicContact CG-CD1 4.2Å; L476-L491 HydrophobicContact CD2-CD1 3.99Å; L476-L491 HydrophobicContact CD2-CD2 4.13Å; L476-I604 HydrophobicContact CD2-CD1 4.23Å
477	L	93	Very high	90.3	Very high	12.5 Å²	12.5	51.1 Å²	51.1	7%	0.065	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-46.3	176.4	-176.2	70.3	0	0	0	111.1	D473 E474 L480 S481 V486 I489 I604 I609	D473-L477 WeakPolarHBondContact O-CB 3.42Å; D473-L477 PolarHBondContact O-N 3.07Å; D473-L477 VanDerWaalsContact O-N 3.15Å; E474-L477 PolarHBondContact O-N 2.89Å; L477-L480 PolarHBondContact O-N 3.03Å; L477-S481 WeakPolarHBondContact O-CB 3.24Å; L477-S481 PolarHBondContact O-N 3.13Å; L477-S481 PolarHBondContact O-OG 3.31Å; L477-V486 HydrophobicContact CD1-CB 3.85Å; L477-V486 HydrophobicContact CD1-CG1 3.74Å; L477-I489 HydrophobicContact CB-CD1 4.32Å; L477-I489 HydrophobicContact CD1-CD1 3.84Å; L477-I489 HydrophobicContact CD1-CG1 4.2Å; L477-I604 HydrophobicContact CB-CG2 4.19Å; L477-I604 HydrophobicContact CD2-CG2 4.36Å; L477-I609 HydrophobicContact CD2-CD1 3.54Å
478	H	91.8	Very high	90.8	Very high	118 Å²	118	50.5 Å²	50.5	55%	0.546	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-48.7	177.9	176	-133.2	0	0	0	111.7	E474 E475 L480 S481 Q482	E474-H478 WeakPolarHBondContact O-CB 3.39Å; E474-H478 PolarHBondContact O-N 3.35Å; E475-H478 PolarHBondContact O-N 3.47Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 PolarHBondContact O-N 3.35Å; H478-S481 PolarHBondContact O-N 3.18Å; H478-S481 VanDerWaalsContact O-N 3.11Å; H478-Q482 PolarHBondContact CE1-NE2 2.86Å; H478-Q482 PolarHBondContact NE2-NE2 3.05Å; H478-Q482 VanDerWaalsContact NE2-NE2 3.18Å; H478-Q482 WeakPolarHBondContact O-CG 3.3Å; H478-Q482 PolarHBondContact O-N 3.27Å
479	T	91.4	Very high	91.1	Very high	26 Å²	26	50.5 Å²	50.5	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-36.2	-179.6	-61.9	0	0	0	0	112.8	L468 L471 E475 Y539	L468-T479 HydrophobicContact CD2-CG2 4.29Å; L471-T479 HydrophobicContact CD1-CG2 4.44Å; E475-T479 WeakPolarHBondContact O-CB 3.25Å; E475-T479 PolarHBondContact O-N 3.01Å; E475-T479 PolarHBondContact O-OG1 2.94Å; T479-Y539 HydrophobicContact CG2-CD1 4.23Å; T479-Y539 HydrophobicContact CG2-CE1 3.5Å; T479-Y539 VanDerWaalsContact CG2-CE1 3.41Å
480	L	91.8	Very high	91.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-81.3	-35.2	176	-64.9	168.5	0	0	0	111.7	L476 L477 H478 Q482 I483 A484 V486 I489 I518 L529 L533	L476-L480 HydrophobicContact CD1-CD1 3.82Å; L476-L480 HydrophobicContact CD1-CG 4.35Å; L476-L480 HydrophobicContact CG-CD1 4.19Å; L476-L480 WeakPolarHBondContact O-CG 3.42Å; L476-L480 PolarHBondContact O-N 3.24Å; L477-L480 PolarHBondContact O-N 3.03Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 PolarHBondContact O-N 3.35Å; L480-Q482 VanDerWaalsContact C-N 3.3Å; L480-Q482 PolarHBondContact O-N 3.17Å; L480-I483 PolarHBondContact O-N 3.04Å; L480-I483 VanDerWaalsContact O-N 3.11Å; L480-A484 PolarHBondContact O-N 2.96Å; L480-V486 HydrophobicContact CB-CG2 3.94Å; L480-I489 HydrophobicContact CD1-CD1 3.73Å; L480-I518 HydrophobicContact CD1-CD1 3.94Å; L480-L529 HydrophobicContact CD2-CD1 4Å; L480-L533 HydrophobicContact CD2-CD1 4.41Å; L480-L533 HydrophobicContact CD2-CD2 4.08Å
481	S	92.6	Very high	91.9	Very high	43 Å²	43	44.1 Å²	44.1	30%	0.301	23%	0.229	S	C	.	.	H	α-helix	trans	-68.2	-26.3	179.2	-60.4	0	0	0	0	113.6	L477 H478 I483 A484	L477-S481 WeakPolarHBondContact O-CB 3.24Å; L477-S481 PolarHBondContact O-N 3.13Å; L477-S481 PolarHBondContact O-OG 3.31Å; H478-S481 PolarHBondContact O-N 3.18Å; H478-S481 VanDerWaalsContact O-N 3.11Å; S481-I483 PolarHBondContact O-N 3.23Å; S481-I483 VanDerWaalsContact O-N 3.17Å; S481-A484 WeakPolarHBondContact CA-O 3.43Å; S481-A484 PolarHBondContact O-N 2.81Å
482	Q	90.3	Very high	92.1	Very high	125.5 Å²	125.5	42.2 Å²	42.2	59%	0.586	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.3	169.2	-76.3	175.7	4.8	0	0	113.6	H478 L480	H478-Q482 PolarHBondContact CE1-NE2 2.86Å; H478-Q482 PolarHBondContact NE2-NE2 3.05Å; H478-Q482 VanDerWaalsContact NE2-NE2 3.18Å; H478-Q482 WeakPolarHBondContact O-CG 3.3Å; H478-Q482 PolarHBondContact O-N 3.27Å; L480-Q482 VanDerWaalsContact C-N 3.3Å; L480-Q482 PolarHBondContact O-N 3.17Å
483	I	90.5	Very high	91.9	Very high	43.5 Å²	43.5	41.5 Å²	41.5	22%	0.223	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-43.5	-178.8	-57	161	0	0	0	110.7	L480 S481 L529 E532 Y539	L480-I483 PolarHBondContact O-N 3.04Å; L480-I483 VanDerWaalsContact O-N 3.11Å; S481-I483 PolarHBondContact O-N 3.23Å; S481-I483 VanDerWaalsContact O-N 3.17Å; I483-L529 HydrophobicContact CB-CD1 3.91Å; I483-L529 HydrophobicContact CD1-CD1 3.72Å; I483-L529 HydrophobicContact CG1-CD1 4.43Å; I483-L529 HydrophobicContact CG2-CB 4.42Å; I483-L529 HydrophobicContact CG2-CD1 3.94Å; I483-E532 HydrophobicContact CD1-CB 4.32Å; I483-E532 HydrophobicContact CD1-CG 3.71Å; I483-E532 HydrophobicContact CG1-CG 4.14Å; I483-E532 HydrophobicContact CG2-CB 3.87Å; I483-E532 HydrophobicContact CG2-CG 4.17Å; I483-Y539 HydrophobicContact CD1-CE2 4.01Å
484	A	91.9	Very high	91.2	Very high	3.5 Å²	3.5	43.8 Å²	43.8	3%	0.029	22%	0.217	C	C	.	.	S	Bend	trans	-160.9	141.7	175.7	0	0	0	0	0	110.5	L480 S481 V486 L520 H525 L529	L480-A484 PolarHBondContact O-N 2.96Å; S481-A484 WeakPolarHBondContact CA-O 3.43Å; S481-A484 PolarHBondContact O-N 2.81Å; A484-V486 WeakPolarHBondContact O-CG2 3.48Å; A484-V486 PolarHBondContact O-N 2.76Å; A484-L520 HydrophobicContact CB-CD2 3.86Å; A484-H525 HydrophobicContact CB-CB 3.88Å; A484-H525 WeakPolarHBondContact CB-O 3.4Å; A484-L529 HydrophobicContact CB-CB 4.24Å
485	P	93.2	Very high	90.1	Very high	61.5 Å²	61.5	42.7 Å²	42.7	40%	0.399	22%	0.217	S	C	.	.			trans	-60	120	-175.1	24.3	-34.8	0	0	0	112.1
486	V	94.1	Very high	88.2	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.1	-179.6	179.4	0	0	0	0	110.1	L477 L480 A484 I489 I518 L520 L529 S606	L477-V486 HydrophobicContact CD1-CB 3.85Å; L477-V486 HydrophobicContact CD1-CG1 3.74Å; L480-V486 HydrophobicContact CB-CG2 3.94Å; A484-V486 WeakPolarHBondContact O-CG2 3.48Å; A484-V486 PolarHBondContact O-N 2.76Å; V486-I489 HydrophobicContact CG1-CD1 4.22Å; V486-I489 HydrophobicContact CG1-CG1 3.66Å; V486-I518 HydrophobicContact CG1-CG2 3.76Å; V486-I518 HydrophobicContact CG2-CG2 4.14Å; V486-L520 HydrophobicContact CG2-CD2 4.41Å; V486-L529 HydrophobicContact CG2-CD2 4.46Å; V486-S606 WeakPolarHBondContact O-CB 3.42Å; V486-S606 PolarHBondContact O-OG 2.87Å
487	Q	93.2	Very high	86.2	Confident	79.5 Å²	79.5	48.4 Å²	48.4	37%	0.371	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-44.7	174	-164.1	-179.8	42.1	0	0	111.2	K519 S606	Q487-K519 WeakPolarHBondContact CB-O 3.41Å; Q487-K519 PolarHBondContact N-O 2.78Å; Q487-K519 VanDerWaalsContact OE1-CD 3.23Å; Q487-S606 PolarHBondContact O-N 3.2Å; Q487-S606 PolarHBondContact O-OG 2.96Å
488	E	93.8	Very high	83.8	Confident	24 Å²	24	52.2 Å²	52.2	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	137.2	-165	-160.2	-168.8	136.4	0	0	110.6	I518 K519 Q588 I603 I604	E488-I518 WeakPolarHBondContact O-CA 3.47Å; E488-K519 HydrophobicContact CB-CB 3.9Å; E488-K519 HydrophobicContact CB-CD 3.95Å; E488-K519 PolarHBondContact N-O 2.96Å; E488-K519 PolarHBondContact O-N 3.43Å; E488-K519 WeakPolarHBondContact OE2-CD 3.24Å; E488-K519 IonicContact OE2-NZ 3.14Å; E488-K519 PolarHBondContact OE2-NZ 3.37Å; E488-Q588 PolarHBondContact OE1-NE2 2.93Å; E488-I603 HydrophobicContact CG-CG2 4.06Å; E488-I604 CarbonylContact C-O 3.55Å; E488-I604 WeakPolarHBondContact CA-O 3.35Å
489	I	94.6	Very high	81.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.5	170.3	-51.1	172.8	0	0	0	108.5	L476 L477 L480 V486 L491 A516 Y517 I518 I604	L476-I489 HydrophobicContact CG-CD1 4.2Å; L477-I489 HydrophobicContact CB-CD1 4.32Å; L477-I489 HydrophobicContact CD1-CD1 3.84Å; L477-I489 HydrophobicContact CD1-CG1 4.2Å; L480-I489 HydrophobicContact CD1-CD1 3.73Å; V486-I489 HydrophobicContact CG1-CD1 4.22Å; V486-I489 HydrophobicContact CG1-CG1 3.66Å; I489-L491 HydrophobicContact CG2-CD2 3.82Å; I489-L491 HydrophobicContact CG2-CG 4.12Å; I489-A516 HydrophobicContact CG2-CB 4.46Å; I489-Y517 CarbonylContact C-O 3.15Å; I489-Y517 WeakPolarHBondContact CA-O 3.33Å; I489-I518 HydrophobicContact CG1-CG2 4.48Å; I489-I518 HydrophobicContact CG2-CG1 4.35Å; I489-I604 HydrophobicContact CB-CB 4.23Å; I489-I604 HydrophobicContact CB-CD1 4.37Å; I489-I604 PolarHBondContact N-O 3.29Å; I489-I604 PolarHBondContact O-N 2.98Å
490	A	93.2	Very high	79.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	106.4	172.5	0	0	0	0	0	110.2	A516 Y517 V584 V601 R602 I603	A490-A516 WeakPolarHBondContact O-CA 3.45Å; A490-Y517 HydrophobicContact CB-CD1 4.36Å; A490-Y517 PolarHBondContact N-O 2.97Å; A490-Y517 PolarHBondContact O-N 3.02Å; A490-V584 HydrophobicContact CB-CG1 3.77Å; A490-V601 HydrophobicContact CB-CG1 4.28Å; A490-R602 WeakPolarHBondContact CA-O 3.36Å; A490-I603 HydrophobicContact CB-CD1 3.41Å; A490-I603 VanDerWaalsContact CB-CD1 3.41Å
491	L	92.9	Very high	76.9	Confident	6.5 Å²	6.5	65.4 Å²	65.4	3%	0.034	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.6	177.7	-63.8	-177.6	0	0	0	110.3	L464 L476 I489 A515 A516 V601 R602 I604	L464-L491 HydrophobicContact CD2-CD2 3.94Å; L476-L491 HydrophobicContact CD2-CD1 3.99Å; L476-L491 HydrophobicContact CD2-CD2 4.13Å; I489-L491 HydrophobicContact CG2-CD2 3.82Å; I489-L491 HydrophobicContact CG2-CG 4.12Å; L491-A515 CarbonylContact C-O 3.39Å; L491-A515 WeakPolarHBondContact CA-O 3.29Å; L491-A516 HydrophobicContact CD2-CB 3.74Å; L491-V601 CarbonylContact O-C 3.53Å; L491-V601 VanDerWaalsContact O-CA 3.29Å; L491-V601 WeakPolarHBondContact O-CA 3.38Å; L491-R602 HydrophobicContact CB-CB 4.45Å; L491-R602 VanDerWaalsContact CD1-NH2 3.34Å; L491-R602 PolarHBondContact N-O 3.15Å; L491-R602 PolarHBondContact O-N 3.42Å; L491-I604 HydrophobicContact CD1-CD1 3.84Å; L491-I604 HydrophobicContact CG-CD1 4.28Å
492	I	90.8	Very high	74.4	Confident	10 Å²	10	71.3 Å²	71.3	5%	0.051	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.6	-179.3	-48.6	173.4	0	0	0	109.5	W460 R494 C514 A515 V584 L587 R600 V601	W460-I492 HydrophobicContact CH2-CD1 3.69Å; W460-I492 HydrophobicContact CZ3-CD1 3.67Å; I492-R494 PolarHBondContact O-N 3.02Å; I492-C514 CarbonylContact O-C 3.51Å; I492-C514 WeakPolarHBondContact O-CA 3.4Å; I492-A515 HydrophobicContact CB-CB 4.46Å; I492-A515 PolarHBondContact N-O 2.99Å; I492-A515 PolarHBondContact O-N 2.91Å; I492-V584 HydrophobicContact CD1-CG2 3.97Å; I492-L587 HydrophobicContact CD1-CD1 4.29Å; I492-L587 HydrophobicContact CG2-CD1 4.12Å; I492-R600 WeakPolarHBondContact CA-O 3.19Å; I492-V601 HydrophobicContact CB-CG2 4.27Å; I492-V601 HydrophobicContact CG1-CG2 3.96Å; I492-V601 HydrophobicContact CG2-CG2 4.1Å
493	N	86.7	Confident	71.7	Confident	63 Å²	63	71.1 Å²	71.1	34%	0.337	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.3	173	-170	-5.5	0	0	0	109.9	T495 R600	N493-T495 VanDerWaalsContact OD1-CB 3.26Å; N493-T495 WeakPolarHBondContact OD1-CB 3.45Å; N493-T495 PolarHBondContact OD1-N 3.12Å; N493-T495 PolarHBondContact OD1-OG1 3.3Å; N493-R600 PolarHBondContact N-O 3.36Å
494	R	76	Confident	69.4	Low	99 Å²	99	73.3 Å²	73.3	37%	0.374	39%	0.391	S	S	.	.			trans	-108	3.2	176	-58.1	-174.6	178.4	161	6	113.8	W460 S462 I492 D496 H513 A515	W460-R494 VanDerWaalsContact CZ2-NH2 3.31Å; S462-R494 VanDerWaalsContact O-CZ 3.32Å; S462-R494 PolarHBondContact O-NH1 3.07Å; S462-R494 PolarHBondContact O-NH2 3.38Å; I492-R494 PolarHBondContact O-N 3.02Å; R494-D496 PolarHBondContact O-N 3.34Å; R494-H513 WeakPolarHBondContact CB-O 3.33Å; R494-H513 PolarHBondContact N-O 3.13Å; R494-A515 VanDerWaalsContact NH2-CB 3.28Å
495	T	66.4	Low	66.8	Low	73.5 Å²	73.5	79.4 Å²	79.4	45%	0.451	43%	0.431	S	S	.	.	S	Bend	trans	-63.6	125.6	176.1	-42.3	0	0	0	0	108.6	N493	N493-T495 VanDerWaalsContact OD1-CB 3.26Å; N493-T495 WeakPolarHBondContact OD1-CB 3.45Å; N493-T495 PolarHBondContact OD1-N 3.12Å; N493-T495 PolarHBondContact OD1-OG1 3.3Å
496	D	51.8	Low	64.2	Low	112 Å²	112	82.9 Å²	82.9	60%	0.599	45%	0.445	S	S	*	.			trans	-67.8	134.8	-175.8	-177.2	18	0	0	0	110.9	R494 S498 T499	R494-D496 PolarHBondContact O-N 3.34Å; D496-S498 VanDerWaalsContact CG-OG 3.24Å; D496-S498 PolarHBondContact O-N 3.1Å; D496-S498 PolarHBondContact OD1-N 3.05Å; D496-S498 VanDerWaalsContact OD2-CB 3.27Å; D496-S498 WeakPolarHBondContact OD2-CB 3.43Å; D496-S498 PolarHBondContact OD2-OG 3.05Å; D496-T499 PolarHBondContact O-OG1 3.25Å
497	Q	49.7	Very low	61.7	Low	108 Å²	108	90 Å²	90	51%	0.505	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-76.8	-1	-178	-62	-167.5	21.9	0	0	112.9	T499 R500	Q497-T499 PolarHBondContact O-N 2.95Å; Q497-T499 VanDerWaalsContact O-N 3.09Å; Q497-R500 VanDerWaalsContact O-CB 3.3Å; Q497-R500 WeakPolarHBondContact O-CB 3.41Å; Q497-R500 PolarHBondContact O-N 3.09Å; Q497-R500 VanDerWaalsContact O-N 3.08Å
498	S	43.5	Very low	59.2	Low	91.5 Å²	91.5	91 Å²	91	64%	0.64	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-59.9	-11.4	176.7	60.9	0	0	0	0	115.1	D496	D496-S498 VanDerWaalsContact CG-OG 3.24Å; D496-S498 PolarHBondContact O-N 3.1Å; D496-S498 PolarHBondContact OD1-N 3.05Å; D496-S498 VanDerWaalsContact OD2-CB 3.27Å; D496-S498 WeakPolarHBondContact OD2-CB 3.43Å; D496-S498 PolarHBondContact OD2-OG 3.05Å
499	T	47.9	Very low	57.2	Low	105 Å²	105	96.2 Å²	96.2	64%	0.644	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-90.3	-6.1	174.1	53.9	0	0	0	0	114.7	D496 Q497 N501 Q502	D496-T499 PolarHBondContact O-OG1 3.25Å; Q497-T499 PolarHBondContact O-N 2.95Å; Q497-T499 VanDerWaalsContact O-N 3.09Å; T499-N501 PolarHBondContact O-N 3.08Å; T499-Q502 PolarHBondContact O-N 2.86Å
500	R	41.1	Very low	55.1	Low	158.5 Å²	158.5	100 Å²	100	60%	0.598	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-9.2	-169.5	-165.3	169.9	-177.1	173.5	0.1	115.6	Q497	Q497-R500 VanDerWaalsContact O-CB 3.3Å; Q497-R500 WeakPolarHBondContact O-CB 3.41Å; Q497-R500 PolarHBondContact O-N 3.09Å; Q497-R500 VanDerWaalsContact O-N 3.08Å
501	N	40.1	Very low	53.3	Low	160 Å²	160	102.8 Å²	102.8	86%	0.856	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	16	178.5	-70.9	9.1	0	0	0	114.5	T499	T499-N501 PolarHBondContact O-N 3.08Å
502	Q	39.7	Very low	51.8	Low	167 Å²	167	105.3 Å²	105.3	78%	0.78	59%	0.592	S	S	*	*			trans	-115.5	89.8	161.8	-72.6	-170.3	11.3	0	0	110.4	T499 T504	T499-Q502 PolarHBondContact O-N 2.86Å; Q502-T504 PolarHBondContact O-N 3.14Å
503	S	33.6	Very low	50.9	Low	121 Å²	121	109.6 Å²	109.6	85%	0.846	61%	0.612	S	S	*	*			trans	-73.2	80.4	171.8	53.1	0	0	0	0	110.5
504	T	43.8	Very low	50.8	Low	89 Å²	89	107.3 Å²	107.3	55%	0.546	60%	0.6	S	S	.	*	S	Bend	trans	-152.4	127.3	171.1	-33.3	0	0	0	0	109.7	Q502 L506	Q502-T504 PolarHBondContact O-N 3.14Å; T504-L506 HydrophobicContact CG2-CD1 3.68Å; T504-L506 VanDerWaalsContact CG2-CD1 3.48Å; T504-L506 HydrophobicContact CG2-CG 3.86Å; T504-L506 PolarHBondContact O-N 2.88Å
505	P	36.5	Very low	51.6	Low	133 Å²	133	102.6 Å²	102.6	86%	0.864	58%	0.583	S	S	*	*			trans	-77.6	59	179.8	33	-35.9	0	0	0	111.8	I507	P505-I507 PolarHBondContact O-N 3.04Å; P505-I507 VanDerWaalsContact O-N 3.17Å
506	L	38.8	Very low	52.9	Low	135 Å²	135	99.1 Å²	99.1	71%	0.707	56%	0.561	S	S	*	*			trans	-85.4	108.8	173.8	-87.1	120.5	0	0	0	110.8	T504 S508	T504-L506 HydrophobicContact CG2-CD1 3.68Å; T504-L506 VanDerWaalsContact CG2-CD1 3.48Å; T504-L506 HydrophobicContact CG2-CG 3.86Å; T504-L506 PolarHBondContact O-N 2.88Å; L506-S508 PolarHBondContact O-N 3.09Å
507	I	42.2	Very low	54.9	Low	154 Å²	154	94.8 Å²	94.8	79%	0.79	54%	0.537	S	S	*	.			trans	-23.1	86.3	172.4	-48.7	172.5	0	0	0	112.5	P505 T509	P505-I507 PolarHBondContact O-N 3.04Å; P505-I507 VanDerWaalsContact O-N 3.17Å; I507-T509 HydrophobicContact CG2-CG2 3.94Å; I507-T509 PolarHBondContact O-N 3.14Å; I507-T509 VanDerWaalsContact O-N 3.11Å
508	S	40.7	Very low	57.1	Low	99.5 Å²	99.5	89.7 Å²	89.7	70%	0.696	51%	0.513	S	S	*	.			trans	-79	92.2	174.8	52.9	0	0	0	0	110	L506 S510	L506-S508 PolarHBondContact O-N 3.09Å; S508-S510 PolarHBondContact O-N 3.21Å
509	T	51.5	Low	59.6	Low	133 Å²	133	88.3 Å²	88.3	82%	0.816	50%	0.496	S	S	*	.			trans	-69	11.3	-175.9	54.7	0	0	0	0	115.4	I507	I507-T509 HydrophobicContact CG2-CG2 3.94Å; I507-T509 PolarHBondContact O-N 3.14Å; I507-T509 VanDerWaalsContact O-N 3.11Å
510	S	50.5	Low	61.9	Low	82.5 Å²	82.5	83.5 Å²	83.5	58%	0.577	47%	0.466	S	S	*	.	S	Bend	trans	-88.4	120.2	170.8	54.2	0	0	0	0	110.4	S508	S508-S510 PolarHBondContact O-N 3.21Å
511	P	56.2	Low	64.3	Low	57.5 Å²	57.5	81.2 Å²	81.2	37%	0.373	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-61.4	148.5	176.6	26.4	-34.2	0	0	0	111.2	P466 H513	P466-P511 HydrophobicContact CB-CB 4.05Å; P466-P511 HydrophobicContact CB-CG 4.15Å; P466-P511 HydrophobicContact CG-CB 3.88Å; P466-P511 HydrophobicContact CG-CG 3.7Å; P511-H513 PolarHBondContact O-N 2.94Å
512	P	60.3	Low	66.9	Low	58.5 Å²	58.5	75.1 Å²	75.1	38%	0.38	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-65.8	124.2	-173.4	26.4	-34.4	0	0	0	111.3	A469 C514	A469-P512 HydrophobicContact CB-CG 4.47Å; P512-C514 PolarHBondContact O-N 2.82Å
513	H	72.3	Confident	69.5	Low	101 Å²	101	69.5 Å²	69.5	47%	0.468	41%	0.413	S	S	.	.			trans	-75.1	77.2	176.6	-80.4	-63.1	0	0	0	111	D463 R494 P511	D463-H513 IonicContact OD1-CE1 3.49Å; D463-H513 IonicContact OD1-CG 2.69Å; D463-H513 IonicContact OD1-ND1 3.13Å; D463-H513 PolarHBondContact OD1-ND1 3.32Å; D463-H513 IonicContact OD2-CE1 2.99Å; D463-H513 IonicContact OD2-ND1 3.44Å; R494-H513 WeakPolarHBondContact CB-O 3.33Å; R494-H513 PolarHBondContact N-O 3.13Å; P511-H513 PolarHBondContact O-N 2.94Å
514	C	85.1	Confident	72.4	Confident	14.5 Å²	14.5	69.1 Å²	69.1	10%	0.098	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	143.1	174.9	-71.8	0	0	0	0	111.2	L464 I492 P512	L464-C514 WeakPolarHBondContact CB-O 3.43Å; L464-C514 PolarHBondContact N-O 3.37Å; I492-C514 CarbonylContact O-C 3.51Å; I492-C514 WeakPolarHBondContact O-CA 3.4Å; P512-C514 PolarHBondContact O-N 2.82Å
515	A	91.1	Very high	74.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	149.5	160.1	0	0	0	0	0	109.3	W460 I461 L491 I492 R494	W460-A515 HydrophobicContact CZ2-CB 4.33Å; I461-A515 WeakPolarHBondContact O-CA 3.33Å; I461-A515 WeakPolarHBondContact O-CB 3.3Å; L491-A515 CarbonylContact C-O 3.39Å; L491-A515 WeakPolarHBondContact CA-O 3.29Å; I492-A515 HydrophobicContact CB-CB 4.46Å; I492-A515 PolarHBondContact N-O 2.99Å; I492-A515 PolarHBondContact O-N 2.91Å; R494-A515 VanDerWaalsContact NH2-CB 3.28Å
516	A	93.8	Very high	77.7	Confident	1 Å²	1	61 Å²	61	1%	0.008	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.9	175.2	0	0	0	0	0	109.9	I461 L464 I489 A490 L491 I518	I461-A516 HydrophobicContact CB-CB 4.17Å; I461-A516 HydrophobicContact CD1-CB 4.31Å; I461-A516 HydrophobicContact CG1-CB 4.47Å; I461-A516 PolarHBondContact N-O 3.01Å; I461-A516 PolarHBondContact O-N 3.27Å; I461-A516 VanDerWaalsContact O-N 3.12Å; L464-A516 HydrophobicContact CD1-CB 4.24Å; I489-A516 HydrophobicContact CG2-CB 4.46Å; A490-A516 WeakPolarHBondContact O-CA 3.45Å; L491-A516 HydrophobicContact CD2-CB 3.74Å; A516-I518 HydrophobicContact CB-CG1 4.45Å
517	Y	95.3	Very high	80.3	Confident	21.5 Å²	21.5	58 Å²	58	8%	0.084	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.9	160.4	171.3	-88.7	0	0	0	107.2	S458 L459 W460 I489 A490 K519 A576 S581 V584	S458-Y517 VanDerWaalsContact CB-CE2 3.49Å; S458-Y517 WeakPolarHBondContact CB-OH 3.42Å; S458-Y517 PolarHBondContact OG-OH 3.2Å; L459-Y517 WeakPolarHBondContact O-CA 3.42Å; W460-Y517 HydrophobicContact CE3-CD2 4.32Å; I489-Y517 CarbonylContact C-O 3.15Å; I489-Y517 WeakPolarHBondContact CA-O 3.33Å; A490-Y517 HydrophobicContact CB-CD1 4.36Å; A490-Y517 PolarHBondContact N-O 2.97Å; A490-Y517 PolarHBondContact O-N 3.02Å; Y517-K519 HydrophobicContact CE1-CB 4.13Å; Y517-A576 HydrophobicContact CD2-CB 3.85Å; Y517-A576 HydrophobicContact CE2-CB 3.6Å; Y517-S581 WeakPolarHBondContact CE2-OG 3.46Å; Y517-S581 PolarHBondContact OH-OG 2.86Å; Y517-V584 HydrophobicContact CD1-CB 4.4Å; Y517-V584 HydrophobicContact CD1-CG1 3.91Å; Y517-V584 HydrophobicContact CD1-CG2 4.16Å; Y517-V584 HydrophobicContact CD2-CG2 3.93Å; Y517-V584 HydrophobicContact CE1-CG1 4.24Å; Y517-V584 HydrophobicContact CG-CB 4.4Å; Y517-V584 HydrophobicContact CG-CG1 4.28Å; Y517-V584 HydrophobicContact CG-CG2 3.67Å
518	I	95.7	Very high	82.7	Confident	0.5 Å²	0.5	58.6 Å²	58.6	0%	0.003	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.3	-178.1	-56.2	166.8	0	0	0	107.1	S458 L459 I461 L480 V486 E488 I489 A516 L520 L529	S458-I518 CarbonylContact C-O 3.3Å; S458-I518 WeakPolarHBondContact CA-O 3.29Å; S458-I518 WeakPolarHBondContact CB-O 3.36Å; L459-I518 HydrophobicContact CB-CB 4.44Å; L459-I518 PolarHBondContact N-O 2.97Å; L459-I518 PolarHBondContact O-N 3.28Å; I461-I518 HydrophobicContact CD1-CD1 3.71Å; I461-I518 HydrophobicContact CG1-CD1 4.31Å; L480-I518 HydrophobicContact CD1-CD1 3.94Å; V486-I518 HydrophobicContact CG1-CG2 3.76Å; V486-I518 HydrophobicContact CG2-CG2 4.14Å; E488-I518 WeakPolarHBondContact O-CA 3.47Å; I489-I518 HydrophobicContact CG1-CG2 4.48Å; I489-I518 HydrophobicContact CG2-CG1 4.35Å; A516-I518 HydrophobicContact CB-CG1 4.45Å; I518-L520 HydrophobicContact CG2-CD1 3.89Å; I518-L520 HydrophobicContact CG2-CG 4.39Å; I518-L529 HydrophobicContact CD1-CD2 4.45Å; I518-L529 HydrophobicContact CG2-CD2 4.12Å
519	K	95.6	Very high	85.2	Confident	63 Å²	63	53.9 Å²	53.9	27%	0.274	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.8	-179.5	-170.2	-170.9	179.8	-157	0	109	Q487 E488 Y517	Q487-K519 WeakPolarHBondContact CB-O 3.41Å; Q487-K519 PolarHBondContact N-O 2.78Å; Q487-K519 VanDerWaalsContact OE1-CD 3.23Å; E488-K519 HydrophobicContact CB-CB 3.9Å; E488-K519 HydrophobicContact CB-CD 3.95Å; E488-K519 PolarHBondContact N-O 2.96Å; E488-K519 PolarHBondContact O-N 3.43Å; E488-K519 WeakPolarHBondContact OE2-CD 3.24Å; E488-K519 IonicContact OE2-NZ 3.14Å; E488-K519 PolarHBondContact OE2-NZ 3.37Å; Y517-K519 HydrophobicContact CE1-CB 4.13Å
520	L	95.2	Very high	87.2	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.9	-177.4	-58.4	96.3	0	0	0	110.4	T457 L459 A484 V486 I518 S522 H525 A526 L529	T457-L520 WeakPolarHBondContact CB-O 3.45Å; T457-L520 PolarHBondContact O-N 3.04Å; L459-L520 HydrophobicContact CG-CD1 4.25Å; A484-L520 HydrophobicContact CB-CD2 3.86Å; V486-L520 HydrophobicContact CG2-CD2 4.41Å; I518-L520 HydrophobicContact CG2-CD1 3.89Å; I518-L520 HydrophobicContact CG2-CG 4.39Å; L520-S522 PolarHBondContact O-N 3.22Å; L520-H525 HydrophobicContact CB-CB 4.12Å; L520-H525 HydrophobicContact CD2-CB 3.92Å; L520-A526 HydrophobicContact CD1-CB 4.08Å; L520-L529 HydrophobicContact CD1-CD2 4.31Å; L520-L529 HydrophobicContact CD2-CB 4.26Å; L520-L529 HydrophobicContact CD2-CD2 3.88Å
521	N	92.3	Very high	89.1	Confident	111 Å²	111	47.2 Å²	47.2	59%	0.594	24%	0.24	S	C	*	.	S	Bend	trans	-68.8	-20.9	-174.9	-65.4	24.5	0	0	0	113.6
522	S	94.1	Very high	90.6	Very high	32.5 Å²	32.5	47.4 Å²	47.4	23%	0.227	24%	0.236	C	C	.	.			trans	-144.4	155.5	-179.7	137.6	0	0	0	0	112.6	L520 E524 H525 A526	L520-S522 PolarHBondContact O-N 3.22Å; S522-E524 VanDerWaalsContact C-N 3.29Å; S522-E524 WeakPolarHBondContact CB-OE2 3.03Å; S522-E524 PolarHBondContact O-N 2.81Å; S522-E524 PolarHBondContact OG-N 2.9Å; S522-E524 VanDerWaalsContact OG-N 3.15Å; S522-E524 PolarHBondContact OG-OE2 2.91Å; S522-H525 WeakPolarHBondContact O-CB 3.29Å; S522-H525 PolarHBondContact O-N 3.46Å; S522-H525 PolarHBondContact OG-CD2 3.24Å; S522-H525 VanDerWaalsContact OG-CD2 3.27Å; S522-H525 PolarHBondContact OG-N 2.91Å; S522-A526 PolarHBondContact O-N 2.97Å; S522-A526 VanDerWaalsContact O-N 3.09Å
523	T	95	Very high	92	Very high	48.5 Å²	48.5	44.7 Å²	44.7	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-62.5	-31.3	173.3	-15.1	0	0	0	0	112.2	P455 T457 A526 I527	P455-T523 HydrophobicContact CB-CG2 3.86Å; P455-T523 VanDerWaalsContact CB-CG2 3.43Å; T457-T523 HydrophobicContact CG2-CG2 4.36Å; T523-A526 WeakPolarHBondContact O-CB 3.41Å; T523-A526 PolarHBondContact O-N 3.15Å; T523-I527 HydrophobicContact CG2-CD1 4.17Å; T523-I527 WeakPolarHBondContact O-CD1 3.36Å; T523-I527 VanDerWaalsContact O-CG1 3.25Å; T523-I527 WeakPolarHBondContact O-CG1 3.39Å; T523-I527 PolarHBondContact O-N 3.5Å
524	E	94.8	Very high	92.7	Very high	113 Å²	113	42 Å²	42	53%	0.528	20%	0.204	S	C	.	.	H	α-helix	trans	-71.3	-40.9	179.4	-59.6	124	-155.4	0	0	111	S522 A526 I527 R528	S522-E524 VanDerWaalsContact C-N 3.29Å; S522-E524 WeakPolarHBondContact CB-OE2 3.03Å; S522-E524 PolarHBondContact O-N 2.81Å; S522-E524 PolarHBondContact OG-N 2.9Å; S522-E524 VanDerWaalsContact OG-N 3.15Å; S522-E524 PolarHBondContact OG-OE2 2.91Å; E524-A526 VanDerWaalsContact C-N 3.32Å; E524-A526 PolarHBondContact O-N 2.95Å; E524-I527 PolarHBondContact O-N 3.2Å; E524-R528 WeakPolarHBondContact O-CG 3.42Å; E524-R528 PolarHBondContact O-N 3.34Å
525	H	95.1	Very high	92.3	Very high	52 Å²	52	45.2 Å²	45.2	24%	0.241	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-43.9	170.1	-66.7	-37	0	0	0	111.1	A484 L520 S522 I527 R528 L529	A484-H525 HydrophobicContact CB-CB 3.88Å; A484-H525 WeakPolarHBondContact CB-O 3.4Å; L520-H525 HydrophobicContact CB-CB 4.12Å; L520-H525 HydrophobicContact CD2-CB 3.92Å; S522-H525 WeakPolarHBondContact O-CB 3.29Å; S522-H525 PolarHBondContact O-N 3.46Å; S522-H525 PolarHBondContact OG-CD2 3.24Å; S522-H525 VanDerWaalsContact OG-CD2 3.27Å; S522-H525 PolarHBondContact OG-N 2.91Å; H525-I527 PolarHBondContact O-N 2.96Å; H525-R528 PolarHBondContact O-N 3.14Å; H525-L529 WeakPolarHBondContact O-CB 3.41Å; H525-L529 PolarHBondContact O-N 3Å
526	A	95.9	Very high	91	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-39.4	175.2	0	0	0	0	0	112.6	T456 L459 L520 S522 T523 E524 L530 F575	T456-A526 VanDerWaalsContact O-CB 3.23Å; T456-A526 WeakPolarHBondContact O-CB 3.34Å; L459-A526 HydrophobicContact CD2-CB 4.09Å; L459-A526 HydrophobicContact CG-CB 4.41Å; L520-A526 HydrophobicContact CD1-CB 4.08Å; S522-A526 PolarHBondContact O-N 2.97Å; S522-A526 VanDerWaalsContact O-N 3.09Å; T523-A526 WeakPolarHBondContact O-CB 3.41Å; T523-A526 PolarHBondContact O-N 3.15Å; E524-A526 VanDerWaalsContact C-N 3.32Å; E524-A526 PolarHBondContact O-N 2.95Å; A526-L530 WeakPolarHBondContact O-CB 3.36Å; A526-L530 PolarHBondContact O-N 3.03Å; A526-F575 HydrophobicContact CB-CD1 4.45Å; A526-F575 HydrophobicContact CB-CE1 3.95Å
527	I	93.8	Very high	89.3	Confident	72.5 Å²	72.5	54.4 Å²	54.4	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-45.5	174	-70.7	159.5	0	0	0	111.2	P455 T523 E524 H525 L530 T531 F575	P455-I527 HydrophobicContact CB-CD1 4.42Å; T523-I527 HydrophobicContact CG2-CD1 4.17Å; T523-I527 WeakPolarHBondContact O-CD1 3.36Å; T523-I527 VanDerWaalsContact O-CG1 3.25Å; T523-I527 WeakPolarHBondContact O-CG1 3.39Å; T523-I527 PolarHBondContact O-N 3.5Å; E524-I527 PolarHBondContact O-N 3.2Å; H525-I527 PolarHBondContact O-N 2.96Å; I527-L530 PolarHBondContact O-N 3.23Å; I527-T531 WeakPolarHBondContact O-CB 3.37Å; I527-T531 PolarHBondContact O-N 3.2Å; I527-T531 PolarHBondContact O-OG1 3.28Å; I527-F575 HydrophobicContact CG1-CE1 4.34Å; I527-F575 HydrophobicContact CG1-CZ 3.73Å
528	R	92.8	Very high	87.7	Confident	166 Å²	166	62.8 Å²	62.8	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-60	-54	177.2	-76.4	177.6	162.1	177.4	-2.3	111.2	E524 H525 L530 T531 E532	E524-R528 WeakPolarHBondContact O-CG 3.42Å; E524-R528 PolarHBondContact O-N 3.34Å; H525-R528 PolarHBondContact O-N 3.14Å; R528-L530 VanDerWaalsContact C-N 3.34Å; R528-L530 PolarHBondContact O-N 3.08Å; R528-T531 PolarHBondContact O-N 3.25Å; R528-T531 VanDerWaalsContact O-N 3.17Å; R528-E532 PolarHBondContact O-N 3.26Å
529	L	93.7	Very high	86.2	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-39.2	179.5	-177.8	62	0	0	0	112.3	L459 L480 I483 A484 V486 I518 L520 H525 T531 E532 L533	L459-L529 HydrophobicContact CD1-CB 4.08Å; L459-L529 HydrophobicContact CD1-CD2 4.03Å; L459-L529 HydrophobicContact CD1-CG 3.94Å; L480-L529 HydrophobicContact CD2-CD1 4Å; I483-L529 HydrophobicContact CB-CD1 3.91Å; I483-L529 HydrophobicContact CD1-CD1 3.72Å; I483-L529 HydrophobicContact CG1-CD1 4.43Å; I483-L529 HydrophobicContact CG2-CB 4.42Å; I483-L529 HydrophobicContact CG2-CD1 3.94Å; A484-L529 HydrophobicContact CB-CB 4.24Å; V486-L529 HydrophobicContact CG2-CD2 4.46Å; I518-L529 HydrophobicContact CD1-CD2 4.45Å; I518-L529 HydrophobicContact CG2-CD2 4.12Å; L520-L529 HydrophobicContact CD1-CD2 4.31Å; L520-L529 HydrophobicContact CD2-CB 4.26Å; L520-L529 HydrophobicContact CD2-CD2 3.88Å; H525-L529 WeakPolarHBondContact O-CB 3.41Å; H525-L529 PolarHBondContact O-N 3Å; L529-T531 VanDerWaalsContact C-N 3.32Å; L529-T531 PolarHBondContact O-N 3.2Å; L529-E532 PolarHBondContact O-N 3.05Å; L529-L533 HydrophobicContact CD1-CD1 3.96Å; L529-L533 HydrophobicContact CD1-CG 3.96Å; L529-L533 HydrophobicContact CD2-CD1 4.44Å; L529-L533 HydrophobicContact CG-CD1 3.84Å; L529-L533 HydrophobicContact CG-CG 4.26Å; L529-L533 WeakPolarHBondContact O-CB 3.38Å; L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.33Å; L529-L533 PolarHBondContact O-N 3.27Å
530	L	93	Very high	84.1	Confident	6.5 Å²	6.5	61.9 Å²	61.9	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-37.9	175.8	-179.7	61	0	0	0	112.5	L459 A526 I527 R528 R534 V573 F575	L459-L530 HydrophobicContact CD1-CB 3.97Å; L459-L530 HydrophobicContact CD2-CB 3.94Å; L459-L530 HydrophobicContact CD2-CD1 4.33Å; L459-L530 HydrophobicContact CD2-CD2 4.32Å; L459-L530 HydrophobicContact CD2-CG 4.44Å; A526-L530 WeakPolarHBondContact O-CB 3.36Å; A526-L530 PolarHBondContact O-N 3.03Å; I527-L530 PolarHBondContact O-N 3.23Å; R528-L530 VanDerWaalsContact C-N 3.34Å; R528-L530 PolarHBondContact O-N 3.08Å; L530-R534 HydrophobicContact CD1-CG 4.44Å; L530-R534 WeakPolarHBondContact O-CB 3.34Å; L530-R534 VanDerWaalsContact O-CG 3.28Å; L530-R534 WeakPolarHBondContact O-CG 3.37Å; L530-R534 PolarHBondContact O-N 2.89Å; L530-R534 VanDerWaalsContact O-N 3.16Å; L530-V573 HydrophobicContact CD1-CB 4.3Å; L530-V573 HydrophobicContact CD1-CG1 3.91Å; L530-V573 HydrophobicContact CD1-CG2 3.76Å; L530-F575 HydrophobicContact CD2-CD1 4.43Å; L530-F575 HydrophobicContact CD2-CD2 3.72Å; L530-F575 HydrophobicContact CD2-CE1 4.12Å; L530-F575 HydrophobicContact CD2-CE2 3.36Å; L530-F575 HydrophobicContact CD2-CG 4.23Å; L530-F575 HydrophobicContact CD2-CZ 3.57Å
531	T	89.8	Confident	81.8	Confident	68 Å²	68	64.4 Å²	64.4	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-68.3	-47.7	178.9	-57.6	0	0	0	0	110.3	I527 R528 L529 R534 C535	I527-T531 WeakPolarHBondContact O-CB 3.37Å; I527-T531 PolarHBondContact O-N 3.2Å; I527-T531 PolarHBondContact O-OG1 3.28Å; R528-T531 PolarHBondContact O-N 3.25Å; R528-T531 VanDerWaalsContact O-N 3.17Å; L529-T531 VanDerWaalsContact C-N 3.32Å; L529-T531 PolarHBondContact O-N 3.2Å; T531-R534 PolarHBondContact O-N 2.89Å; T531-C535 WeakPolarHBondContact O-CB 3.42Å; T531-C535 PolarHBondContact O-N 2.97Å; T531-C535 PolarHBondContact O-SG 2.87Å
532	E	88.5	Confident	79.5	Confident	62 Å²	62	63.4 Å²	63.4	29%	0.29	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-45.5	177.5	-177.2	57	-165	0	0	111.5	I483 R528 L529 R534 C535 S536	I483-E532 HydrophobicContact CD1-CB 4.32Å; I483-E532 HydrophobicContact CD1-CG 3.71Å; I483-E532 HydrophobicContact CG1-CG 4.14Å; I483-E532 HydrophobicContact CG2-CB 3.87Å; I483-E532 HydrophobicContact CG2-CG 4.17Å; R528-E532 PolarHBondContact O-N 3.26Å; L529-E532 PolarHBondContact O-N 3.05Å; E532-R534 PolarHBondContact O-N 3.1Å; E532-R534 VanDerWaalsContact O-N 3.12Å; E532-C535 PolarHBondContact O-N 2.74Å; E532-C535 VanDerWaalsContact O-N 3.1Å; E532-S536 VanDerWaalsContact CD-CB 3.49Å; E532-S536 WeakPolarHBondContact O-CB 3.31Å; E532-S536 PolarHBondContact O-N 2.97Å; E532-S536 WeakPolarHBondContact OE1-CB 3.28Å; E532-S536 PolarHBondContact OE1-OG 3.1Å
533	L	88.9	Confident	77	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-18.6	176	-69.5	175.3	0	0	0	113.9	I461 L468 L480 L529 Y539 V573	I461-L533 HydrophobicContact CD1-CD1 4.15Å; L468-L533 HydrophobicContact CD1-CD2 4.44Å; L480-L533 HydrophobicContact CD2-CD1 4.41Å; L480-L533 HydrophobicContact CD2-CD2 4.08Å; L529-L533 HydrophobicContact CD1-CD1 3.96Å; L529-L533 HydrophobicContact CD1-CG 3.96Å; L529-L533 HydrophobicContact CD2-CD1 4.44Å; L529-L533 HydrophobicContact CG-CD1 3.84Å; L529-L533 HydrophobicContact CG-CG 4.26Å; L529-L533 WeakPolarHBondContact O-CB 3.38Å; L529-L533 VanDerWaalsContact O-CG 3.27Å; L529-L533 WeakPolarHBondContact O-CG 3.33Å; L529-L533 PolarHBondContact O-N 3.27Å; L533-Y539 HydrophobicContact CD2-CD2 4.13Å; L533-V573 HydrophobicContact CB-CG1 3.97Å; L533-V573 HydrophobicContact CD1-CG2 4.33Å
534	R	86.5	Confident	74.3	Confident	45.5 Å²	45.5	70.6 Å²	70.6	17%	0.172	36%	0.359	C	S	.	.	H	α-helix	trans	-90.2	-30.5	172	-75.8	176.8	172.6	166.7	0.6	113.6	L530 T531 E532 V573 D574	L530-R534 HydrophobicContact CD1-CG 4.44Å; L530-R534 WeakPolarHBondContact O-CB 3.34Å; L530-R534 VanDerWaalsContact O-CG 3.28Å; L530-R534 WeakPolarHBondContact O-CG 3.37Å; L530-R534 PolarHBondContact O-N 2.89Å; L530-R534 VanDerWaalsContact O-N 3.16Å; T531-R534 PolarHBondContact O-N 2.89Å; E532-R534 PolarHBondContact O-N 3.1Å; E532-R534 VanDerWaalsContact O-N 3.12Å; R534-V573 HydrophobicContact CG-CG1 3.85Å; R534-V573 PolarHBondContact NE-O 3.27Å; R534-V573 VanDerWaalsContact NE-O 3.1Å; R534-V573 PolarHBondContact NH2-O 3.15Å; R534-D574 IonicContact CZ-OD1 3.54Å; R534-D574 IonicContact NH1-OD1 2.66Å; R534-D574 VanDerWaalsContact NH2-CG 3.33Å; R534-D574 IonicContact NH2-OD1 3.12Å; R534-D574 PolarHBondContact NH2-OD1 2.9Å
535	C	77.7	Confident	71.7	Confident	81 Å²	81	70.6 Å²	70.6	55%	0.547	37%	0.369	S	S	.	.	H	α-helix	trans	-94	-30.8	-176.4	-62.7	0	0	0	0	113.7	T531 E532 K537	T531-C535 WeakPolarHBondContact O-CB 3.42Å; T531-C535 PolarHBondContact O-N 2.97Å; T531-C535 PolarHBondContact O-SG 2.87Å; E532-C535 PolarHBondContact O-N 2.74Å; E532-C535 VanDerWaalsContact O-N 3.1Å; C535-K537 PolarHBondContact O-N 3.16Å
536	S	63.8	Low	69	Low	15.5 Å²	15.5	74.2 Å²	74.2	11%	0.108	39%	0.394	C	S	.	.			trans	-75.4	118.2	-163.1	-152.3	0	0	0	0	113.1	E532 R538	E532-S536 VanDerWaalsContact CD-CB 3.49Å; E532-S536 WeakPolarHBondContact O-CB 3.31Å; E532-S536 PolarHBondContact O-N 2.97Å; E532-S536 WeakPolarHBondContact OE1-CB 3.28Å; E532-S536 PolarHBondContact OE1-OG 3.1Å; S536-R538 PolarHBondContact O-N 2.86Å; S536-R538 WeakPolarHBondContact OG-CB 3.31Å; S536-R538 WeakPolarHBondContact OG-CG 3.38Å
537	K	58.1	Low	66.2	Low	178 Å²	178	80.3 Å²	80.3	77%	0.774	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-60.3	-29.6	168.8	-63	170.9	-174	167	0	111.1	C535 Y539 S540 R568	C535-K537 PolarHBondContact O-N 3.16Å; K537-Y539 PolarHBondContact O-N 3.14Å; K537-S540 PolarHBondContact O-N 2.88Å; K537-S540 PolarHBondContact O-OG 2.91Å; K537-R568 PolarHBondContact O-NH1 2.83Å
538	R	61.6	Low	63.7	Low	198 Å²	198	82.6 Å²	82.6	75%	0.747	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-53.2	-50	-173.3	-59.6	-177.4	-173.9	-146.9	2.6	112.8	S536 S540	S536-R538 PolarHBondContact O-N 2.86Å; S536-R538 WeakPolarHBondContact OG-CB 3.31Å; S536-R538 WeakPolarHBondContact OG-CG 3.38Å; R538-S540 VanDerWaalsContact C-N 3.3Å; R538-S540 PolarHBondContact O-N 2.77Å
539	Y	64.6	Low	61.1	Low	25.5 Å²	25.5	81.2 Å²	81.2	10%	0.1	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-88.4	2.6	-173.1	-50.1	-62	0	0	0	114.5	P465 S467 L468 T479 I483 L533 K537	P465-Y539 WeakPolarHBondContact CB-O 3.49Å; S467-Y539 PolarHBondContact OG-O 2.86Å; L468-Y539 HydrophobicContact CD1-CD1 4.47Å; L468-Y539 HydrophobicContact CD1-CG 4.36Å; L468-Y539 HydrophobicContact CD2-CD1 3.73Å; L468-Y539 HydrophobicContact CD2-CE1 4.3Å; L468-Y539 HydrophobicContact CD2-CG 4.39Å; L468-Y539 HydrophobicContact CG-CD1 4.32Å; T479-Y539 HydrophobicContact CG2-CD1 4.23Å; T479-Y539 HydrophobicContact CG2-CE1 3.5Å; T479-Y539 VanDerWaalsContact CG2-CE1 3.41Å; I483-Y539 HydrophobicContact CD1-CE2 4.01Å; L533-Y539 HydrophobicContact CD2-CD2 4.13Å; K537-Y539 PolarHBondContact O-N 3.14Å
540	S	51.7	Low	58.6	Low	20 Å²	20	86.4 Å²	86.4	14%	0.14	50%	0.496	C	S	.	.	S	Bend	trans	-89.9	122.2	175.5	64.9	0	0	0	0	110.7	K537 R538 R568	K537-S540 PolarHBondContact O-N 2.88Å; K537-S540 PolarHBondContact O-OG 2.91Å; R538-S540 VanDerWaalsContact C-N 3.3Å; R538-S540 PolarHBondContact O-N 2.77Å; S540-R568 PolarHBondContact O-NH1 3.12Å; S540-R568 VanDerWaalsContact OG-CD 3.24Å; S540-R568 WeakPolarHBondContact OG-CD 3.38Å; S540-R568 PolarHBondContact OG-NH1 2.85Å
541	S	46.5	Very low	56.2	Low	54 Å²	54	92.1 Å²	92.1	38%	0.378	53%	0.531	S	S	.	.			trans	-46.8	125.7	-171	168.5	0	0	0	0	113.8	S467 T543	S467-S541 PolarHBondContact OG-N 3.1Å; S541-T543 PolarHBondContact O-N 3.46Å
542	P	42.7	Very low	53.9	Low	90 Å²	90	93.6 Å²	93.6	58%	0.584	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-71.5	126.8	154.6	31	-30.2	0	0	0	108.7	P544	P542-P544 WeakPolarHBondContact O-CD 3.06Å
543	T	42.7	Very low	51.7	Low	122.5 Å²	122.5	96.4 Å²	96.4	75%	0.752	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-70	125.5	164	46.3	0	0	0	0	108.4	S541	S541-T543 PolarHBondContact O-N 3.46Å
544	P	39.1	Very low	49.5	Very low	111 Å²	111	102.9 Å²	102.9	72%	0.721	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-63.9	137.8	179.7	26.2	-33.9	0	0	0	110.4	P542 T546	P542-P544 WeakPolarHBondContact O-CD 3.06Å; P544-T546 PolarHBondContact O-N 2.77Å
545	P	38.2	Very low	47	Very low	112.5 Å²	112.5	104.4 Å²	104.4	73%	0.731	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-67.3	135.1	172.2	29.2	-33.5	0	0	0	109.6	T547	P545-T547 PolarHBondContact O-N 2.86Å; P545-T547 VanDerWaalsContact O-N 3.09Å
546	T	39	Very low	45.2	Very low	127 Å²	127	108 Å²	108	78%	0.779	65%	0.648	S	S	*	*			trans	-77.1	91.9	179.6	2.6	0	0	0	0	110.7	P544 T548	P544-T546 PolarHBondContact O-N 2.77Å; T546-T548 PolarHBondContact O-N 2.93Å
547	T	38.2	Very low	43.8	Very low	128 Å²	128	113.8 Å²	113.8	79%	0.785	68%	0.683	S	S	*	*			trans	-70.9	97.8	175.1	3.5	0	0	0	0	111.3	P545 T549	P545-T547 PolarHBondContact O-N 2.86Å; P545-T547 VanDerWaalsContact O-N 3.09Å; T547-T549 PolarHBondContact O-N 3.27Å
548	T	41.1	Very low	43.1	Very low	122 Å²	122	112.6 Å²	112.6	75%	0.748	68%	0.683	S	S	*	*			trans	-93.4	105	167.6	48.2	0	0	0	0	110.3	T546 S550	T546-T548 PolarHBondContact O-N 2.93Å; T548-S550 PolarHBondContact O-N 3.14Å
549	T	37.4	Very low	42.1	Very low	137 Å²	137	109.2 Å²	109.2	84%	0.84	69%	0.685	S	S	*	*			trans	-68	118.8	179.6	-48.8	0	0	0	0	112	T547	T547-T549 PolarHBondContact O-N 3.27Å
550	S	41.8	Very low	40.6	Very low	107.5 Å²	107.5	111.7 Å²	111.7	75%	0.752	72%	0.718	S	S	*	*			trans	-153.8	116.3	161.3	56.7	0	0	0	0	110.8	T548	T548-S550 PolarHBondContact O-N 3.14Å
551	T	43.4	Very low	40.1	Very low	127 Å²	127	119.4 Å²	119.4	78%	0.779	75%	0.751	S	S	*	*			trans	-38.2	153.8	173	-37	0	0	0	0	117.3
552	S	41.1	Very low	39.5	Very low	99 Å²	99	123.9 Å²	123.9	69%	0.692	77%	0.771	S	S	*	*			trans	79	105.2	155.2	57.2	0	0	0	0	120.5
553	T	42.8	Very low	39.5	Very low	120.5 Å²	120.5	125.6 Å²	125.6	74%	0.739	78%	0.78	S	S	*	*				94.1	132.5	120.2	-55.1	0	0	0	0	120
554	T	41.7	Very low	39.1	Very low	140 Å²	140	128.5 Å²	128.5	86%	0.859	78%	0.782	S	S	*	*			trans	56.8	113.4	171.9	42	0	0	0	0	117.2
555	G	34.6	Very low	39	Very low	76 Å²	76	128.6 Å²	128.6	78%	0.784	78%	0.781	S	S	*	*			trans	-109.6	163.5	-180	0	0	0	0	0	114.4
556	I	38.8	Very low	39	Very low	157.5 Å²	157.5	130.8 Å²	130.8	81%	0.808	79%	0.785	S	S	*	*			trans	-132.8	132	166.5	-62.4	180	0	0	0	107.9	I558	I556-I558 HydrophobicContact CG2-CG1 4.31Å; I556-I558 PolarHBondContact O-N 3.34Å
557	T	34.8	Very low	39.1	Very low	137.5 Å²	137.5	130.6 Å²	130.6	84%	0.844	78%	0.784	S	S	*	*			trans	-78.4	119.4	-179.3	-45.5	0	0	0	0	110.8
558	I	43.4	Very low	39.8	Very low	151.5 Å²	151.5	131 Å²	131	78%	0.777	77%	0.771	S	S	*	*			trans	-130.7	127.6	169.8	-59.4	-176.9	0	0	0	110	I556	I556-I558 HydrophobicContact CG2-CG1 4.31Å; I556-I558 PolarHBondContact O-N 3.34Å
559	T	41.4	Very low	40.9	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	77%	0.772	S	S	*	*			trans	-83.8	139.6	-175.3	48.1	0	0	0	0	113.6
560	G	33	Very low	42.4	Very low	77.5 Å²	77.5	131.9 Å²	131.9	80%	0.799	76%	0.756	S	S	*	*			trans	74.8	88.3	146.4	0	0	0	0	0	117.9
561	Q	39.8	Very low	44.3	Very low	180.5 Å²	180.5	127.8 Å²	127.8	84%	0.843	73%	0.725	S	S	*	*			trans	-122.6	131.6	155.9	-69.9	-163.1	3.3	0	0	111.5	V563	Q561-V563 PolarHBondContact O-N 3.32Å; Q561-V563 VanDerWaalsContact O-N 3.11Å
562	N	34.2	Very low	46.3	Very low	149 Å²	149	122.9 Å²	122.9	80%	0.797	70%	0.697	S	S	*	*			trans	-77.9	103.1	-177.7	-175.1	-49.9	0	0	0	110.5	K564	N562-K564 PolarHBondContact O-N 3.24Å
563	V	42.9	Very low	48.7	Very low	126.5 Å²	126.5	118.2 Å²	118.2	77%	0.767	66%	0.664	S	S	*	*			trans	-73.5	92.7	175.8	-177.2	0	0	0	0	109.6	Q561 T565	Q561-V563 PolarHBondContact O-N 3.32Å; Q561-V563 VanDerWaalsContact O-N 3.11Å; V563-T565 PolarHBondContact O-N 3.15Å
564	K	34.3	Very low	51.2	Low	184 Å²	184	112.5 Å²	112.5	80%	0.8	63%	0.63	S	S	*	*			trans	-60.2	97.2	174.5	-119	177.1	-177.6	174.9	0	110.1	N562 L566	N562-K564 PolarHBondContact O-N 3.24Å; K564-L566 PolarHBondContact O-N 3.05Å
565	T	37	Very low	53.7	Low	111.5 Å²	111.5	106.4 Å²	106.4	68%	0.684	59%	0.591	S	S	*	*			trans	-55.9	130.6	-174.8	56.5	0	0	0	0	111.8	V563 T567	V563-T565 PolarHBondContact O-N 3.15Å; T565-T567 PolarHBondContact O-N 3.32Å
566	L	38.9	Very low	56.5	Low	158.5 Å²	158.5	102.9 Å²	102.9	83%	0.83	56%	0.555	S	S	*	*			trans	-53.5	139.7	171.6	-84.1	68.8	0	0	0	110	K564 R568	K564-L566 PolarHBondContact O-N 3.05Å; L566-R568 PolarHBondContact O-N 3.1Å
567	T	40.5	Very low	59.1	Low	123 Å²	123	95.4 Å²	95.4	76%	0.755	52%	0.517	S	S	*	.			trans	-61.1	101.9	-175.4	48.7	0	0	0	0	111.2	L184 T565 R569	L184-T567 HydrophobicContact CD1-CG2 3.55Å; L184-T567 HydrophobicContact CD2-CG2 3.91Å; L184-T567 HydrophobicContact CG-CG2 4.3Å; T565-T567 PolarHBondContact O-N 3.32Å; T567-R569 PolarHBondContact O-N 3.28Å
568	R	53.5	Low	61.8	Low	136 Å²	136	93 Å²	93	51%	0.513	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-62.7	131.7	178.8	-64.3	-171.2	176.1	-147.5	-5.4	109.9	K537 S540 L566	K537-R568 PolarHBondContact O-NH1 2.83Å; S540-R568 PolarHBondContact O-NH1 3.12Å; S540-R568 VanDerWaalsContact OG-CD 3.24Å; S540-R568 WeakPolarHBondContact OG-CD 3.38Å; S540-R568 PolarHBondContact OG-NH1 2.85Å; L566-R568 PolarHBondContact O-N 3.1Å
569	R	63	Low	63.9	Low	200.5 Å²	200.5	91.7 Å²	91.7	76%	0.757	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-74.7	128.7	174.1	-173.1	179.3	-177.8	-172.6	-1.3	108.7	T567	T567-R569 PolarHBondContact O-N 3.28Å
570	P	69.3	Low	66.4	Low	79 Å²	79	85.9 Å²	85.9	51%	0.513	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-64.5	150	176.6	27.3	-34.6	0	0	0	111	A572	P570-A572 PolarHBondContact O-N 3.26Å
571	I	81.2	Confident	69.2	Low	21 Å²	21	83.6 Å²	83.6	11%	0.108	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-63.4	130.8	178.2	-59.2	177	0	0	0	108.8	I461 P465 V573	I461-I571 HydrophobicContact CG2-CG2 4.19Å; P465-I571 HydrophobicContact CG-CD1 3.83Å; P465-I571 HydrophobicContact CG-CG1 3.86Å; P465-I571 HydrophobicContact CG-CG2 4.17Å; I571-V573 VanDerWaalsContact C-N 3.28Å; I571-V573 HydrophobicContact CB-CG1 4.43Å; I571-V573 HydrophobicContact CG2-CB 4.22Å; I571-V573 HydrophobicContact CG2-CG1 4.18Å; I571-V573 PolarHBondContact O-N 2.94Å
572	A	86.5	Confident	71.7	Confident	23 Å²	23	78 Å²	78	19%	0.19	41%	0.405	C	S	.	.			trans	-81.2	69.8	-178.1	0	0	0	0	0	111.1	M424 S462 P570	M424-A572 HydrophobicContact CE-CB 3.91Å; M424-A572 VanDerWaalsContact CE-O 3.29Å; M424-A572 WeakPolarHBondContact CE-O 3.36Å; S462-A572 WeakPolarHBondContact CB-O 3.41Å; S462-A572 PolarHBondContact N-O 3.13Å; S462-A572 PolarHBondContact OG-O 2.87Å; P570-A572 PolarHBondContact O-N 3.26Å
573	V	91.3	Very high	74.4	Confident	0.5 Å²	0.5	74.5 Å²	74.5	0%	0.003	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139	-178.6	63.6	0	0	0	0	111.9	L459 W460 I461 L530 L533 R534 I571	L459-V573 HydrophobicContact CB-CG2 4.36Å; W460-V573 WeakPolarHBondContact O-CA 3.39Å; I461-V573 HydrophobicContact CG1-CB 4.1Å; I461-V573 HydrophobicContact CG1-CG2 3.73Å; L530-V573 HydrophobicContact CD1-CB 4.3Å; L530-V573 HydrophobicContact CD1-CG1 3.91Å; L530-V573 HydrophobicContact CD1-CG2 3.76Å; L533-V573 HydrophobicContact CB-CG1 3.97Å; L533-V573 HydrophobicContact CD1-CG2 4.33Å; R534-V573 HydrophobicContact CG-CG1 3.85Å; R534-V573 PolarHBondContact NE-O 3.27Å; R534-V573 VanDerWaalsContact NE-O 3.1Å; R534-V573 PolarHBondContact NH2-O 3.15Å; I571-V573 VanDerWaalsContact C-N 3.28Å; I571-V573 HydrophobicContact CB-CG1 4.43Å; I571-V573 HydrophobicContact CG2-CB 4.22Å; I571-V573 HydrophobicContact CG2-CG1 4.18Å; I571-V573 PolarHBondContact O-N 2.94Å
574	D	94	Very high	76.8	Confident	1.5 Å²	1.5	68.5 Å²	68.5	1%	0.008	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	175.7	171.9	-165.1	32.2	0	0	0	109.2	R375 M424 S453 L459 W460 R534	R375-D574 VanDerWaalsContact CG-OD2 3.29Å; R375-D574 WeakPolarHBondContact CG-OD2 3.44Å; R375-D574 IonicContact CZ-OD2 3.89Å; R375-D574 PolarHBondContact N-OD2 3.25Å; R375-D574 IonicContact NE-OD2 2.71Å; R375-D574 PolarHBondContact NE-OD2 2.79Å; R375-D574 IonicContact NH2-OD2 3.15Å; M424-D574 HydrophobicContact CE-CB 3.85Å; M424-D574 HydrophobicContact CG-CB 4.12Å; M424-D574 HydrophobicContact SD-CB 3.67Å; S453-D574 VanDerWaalsContact CB-OD2 3.29Å; S453-D574 WeakPolarHBondContact CB-OD2 3.4Å; S453-D574 PolarHBondContact OG-OD2 2.9Å; S453-D574 VanDerWaalsContact OG-OD2 3.12Å; L459-D574 WeakPolarHBondContact CA-O 3.32Å; W460-D574 PolarHBondContact N-O 3.28Å; W460-D574 PolarHBondContact O-N 3.41Å; R534-D574 IonicContact CZ-OD1 3.54Å; R534-D574 IonicContact NH1-OD1 2.66Å; R534-D574 VanDerWaalsContact NH2-CG 3.33Å; R534-D574 IonicContact NH2-OD1 3.12Å; R534-D574 PolarHBondContact NH2-OD1 2.9Å
575	F	95.1	Very high	79.5	Confident	11 Å²	11	63 Å²	63	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	152.6	167.3	-65.8	-72.9	0	0	0	111.5	R375 S453 P455 T456 S458 L459 A526 I527 L530	R375-F575 PolarHBondContact NE-O 3.46Å; R375-F575 PolarHBondContact NH1-O 3.39Å; R375-F575 VanDerWaalsContact NH1-O 3.07Å; R375-F575 PolarHBondContact NH2-O 2.87Å; S453-F575 WeakPolarHBondContact O-CD2 3.18Å; P455-F575 HydrophobicContact CB-CE1 4.14Å; P455-F575 HydrophobicContact CB-CE2 4.12Å; P455-F575 HydrophobicContact CB-CZ 3.83Å; P455-F575 HydrophobicContact CG-CE2 4.23Å; P455-F575 HydrophobicContact CG-CZ 4.3Å; T456-F575 VanDerWaalsContact N-CD1 3.27Å; T456-F575 VanDerWaalsContact O-CD1 3.27Å; T456-F575 WeakPolarHBondContact O-CD1 3.39Å; T456-F575 WeakPolarHBondContact O-CE1 3.43Å; S458-F575 CarbonylContact O-C 3.43Å; S458-F575 WeakPolarHBondContact O-CA 3.48Å; L459-F575 HydrophobicContact CD2-CD1 3.56Å; L459-F575 HydrophobicContact CD2-CE1 3.86Å; L459-F575 HydrophobicContact CD2-CG 4.28Å; A526-F575 HydrophobicContact CB-CD1 4.45Å; A526-F575 HydrophobicContact CB-CE1 3.95Å; I527-F575 HydrophobicContact CG1-CE1 4.34Å; I527-F575 HydrophobicContact CG1-CZ 3.73Å; L530-F575 HydrophobicContact CD2-CD1 4.43Å; L530-F575 HydrophobicContact CD2-CD2 3.72Å; L530-F575 HydrophobicContact CD2-CE1 4.12Å; L530-F575 HydrophobicContact CD2-CE2 3.36Å; L530-F575 HydrophobicContact CD2-CG 4.23Å; L530-F575 HydrophobicContact CD2-CZ 3.57Å
576	A	94	Very high	82.1	Confident	2.5 Å²	2.5	61.9 Å²	61.9	2%	0.021	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-73.4	153.6	174.9	0	0	0	0	0	111.3	R375 S458 W460 Y517	R375-A576 PolarHBondContact NH1-O 2.98Å; S458-A576 PolarHBondContact O-N 2.9Å; W460-A576 HydrophobicContact CB-CB 4.27Å; Y517-A576 HydrophobicContact CD2-CB 3.85Å; Y517-A576 HydrophobicContact CE2-CB 3.6Å
577	S	92.7	Very high	84.5	Confident	1.5 Å²	1.5	55.5 Å²	55.5	1%	0.01	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-94.2	159.8	171.3	63.4	0	0	0	0	111	A422 R579 Q580 S581	A422-S577 PolarHBondContact O-OG 3.07Å; S577-R579 VanDerWaalsContact C-N 3.26Å; S577-R579 PolarHBondContact O-N 2.92Å; S577-Q580 PolarHBondContact O-N 3.34Å; S577-Q580 VanDerWaalsContact O-N 3.08Å; S577-Q580 WeakPolarHBondContact OG-CB 3.27Å; S577-Q580 VanDerWaalsContact OG-CG 3.24Å; S577-Q580 WeakPolarHBondContact OG-CG 3.39Å; S577-Q580 PolarHBondContact OG-N 3.14Å; S577-Q580 VanDerWaalsContact OG-N 3.09Å; S577-Q580 PolarHBondContact OG-OE1 2.8Å; S577-S581 WeakPolarHBondContact O-CB 3.49Å; S577-S581 PolarHBondContact O-N 2.85Å; S577-S581 PolarHBondContact O-OG 2.9Å
578	P	90.9	Very high	86.8	Confident	87.5 Å²	87.5	51.8 Å²	51.8	57%	0.568	26%	0.262	S	S	*	.	H	α-helix	trans	-50.9	-47.9	168.8	-28.2	35.9	0	0	0	111	Q580 S581 S582	P578-Q580 PolarHBondContact O-N 3.03Å; P578-S581 WeakPolarHBondContact O-CB 3.37Å; P578-S581 PolarHBondContact O-N 3.15Å; P578-S581 VanDerWaalsContact O-N 3.14Å; P578-S582 PolarHBondContact O-N 2.83Å; P578-S582 PolarHBondContact O-OG 3.22Å
579	R	89.5	Confident	88.4	Confident	123 Å²	123	49.5 Å²	49.5	46%	0.464	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-40.5	176.7	-175.5	173.2	173	-163.1	-1.4	113.8	D404 S577 S582 I583	D404-R579 VanDerWaalsContact CB-NH1 3.28Å; D404-R579 IonicContact OD2-CZ 3.56Å; D404-R579 VanDerWaalsContact OD2-CZ 3.29Å; D404-R579 IonicContact OD2-NH1 3.29Å; D404-R579 PolarHBondContact OD2-NH1 3.32Å; D404-R579 IonicContact OD2-NH2 3.59Å; D404-R579 PolarHBondContact OD2-NH2 3Å; S577-R579 VanDerWaalsContact C-N 3.26Å; S577-R579 PolarHBondContact O-N 2.92Å; R579-S582 PolarHBondContact O-N 2.89Å; R579-I583 HydrophobicContact CG-CD1 4.11Å; R579-I583 WeakPolarHBondContact O-CB 3.32Å; R579-I583 WeakPolarHBondContact O-CD1 3.36Å; R579-I583 WeakPolarHBondContact O-CG1 3.32Å; R579-I583 PolarHBondContact O-N 3.41Å
580	Q	92.3	Very high	89.5	Confident	6.5 Å²	6.5	44 Å²	44	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-40.6	174.7	-77.5	162.8	-22.1	0	0	111.6	A422 W460 S577 P578 I583 V584	A422-Q580 PolarHBondContact O-NE2 3.14Å; W460-Q580 VanDerWaalsContact CD1-NE2 3.26Å; W460-Q580 HydrophobicContact CD2-CB 4.22Å; W460-Q580 HydrophobicContact CD2-CG 3.89Å; W460-Q580 HydrophobicContact CE3-CB 3.85Å; W460-Q580 HydrophobicContact CE3-CG 3.97Å; W460-Q580 HydrophobicContact CG-CG 4.4Å; W460-Q580 HydrophobicContact CH2-CB 4.49Å; W460-Q580 HydrophobicContact CH2-CG 4.19Å; W460-Q580 HydrophobicContact CZ2-CG 4.12Å; W460-Q580 HydrophobicContact CZ3-CB 4.01Å; W460-Q580 HydrophobicContact CZ3-CG 4.13Å; W460-Q580 VanDerWaalsContact NE1-NE2 3.17Å; S577-Q580 PolarHBondContact O-N 3.34Å; S577-Q580 VanDerWaalsContact O-N 3.08Å; S577-Q580 WeakPolarHBondContact OG-CB 3.27Å; S577-Q580 VanDerWaalsContact OG-CG 3.24Å; S577-Q580 WeakPolarHBondContact OG-CG 3.39Å; S577-Q580 PolarHBondContact OG-N 3.14Å; S577-Q580 VanDerWaalsContact OG-N 3.09Å; S577-Q580 PolarHBondContact OG-OE1 2.8Å; P578-Q580 PolarHBondContact O-N 3.03Å; Q580-I583 WeakPolarHBondContact O-CB 3.48Å; Q580-I583 PolarHBondContact O-N 3.15Å; Q580-V584 WeakPolarHBondContact O-CG2 3.38Å; Q580-V584 PolarHBondContact O-N 3.04Å
581	S	93.3	Very high	90.2	Very high	29.5 Å²	29.5	41.5 Å²	41.5	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-45.1	176.2	-48	0	0	0	0	110.9	Y517 S577 P578 I583 V584 T585	Y517-S581 WeakPolarHBondContact CE2-OG 3.46Å; Y517-S581 PolarHBondContact OH-OG 2.86Å; S577-S581 WeakPolarHBondContact O-CB 3.49Å; S577-S581 PolarHBondContact O-N 2.85Å; S577-S581 PolarHBondContact O-OG 2.9Å; P578-S581 WeakPolarHBondContact O-CB 3.37Å; P578-S581 PolarHBondContact O-N 3.15Å; P578-S581 VanDerWaalsContact O-N 3.14Å; S581-I583 VanDerWaalsContact C-N 3.32Å; S581-I583 PolarHBondContact O-N 2.87Å; S581-V584 WeakPolarHBondContact O-CB 3.46Å; S581-V584 PolarHBondContact O-N 3.24Å; S581-V584 VanDerWaalsContact O-N 3.08Å; S581-T585 PolarHBondContact O-N 2.95Å; S581-T585 PolarHBondContact O-OG1 3.04Å
582	S	92.5	Very high	90.3	Very high	63 Å²	63	45.4 Å²	45.4	44%	0.441	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-36.1	172.9	-52.3	0	0	0	0	112.8	P578 R579 N586	P578-S582 PolarHBondContact O-N 2.83Å; P578-S582 PolarHBondContact O-OG 3.22Å; R579-S582 PolarHBondContact O-N 2.89Å; S582-N586 VanDerWaalsContact O-CB 3.28Å; S582-N586 WeakPolarHBondContact O-CB 3.21Å; S582-N586 VanDerWaalsContact O-CG 3.31Å; S582-N586 PolarHBondContact O-N 2.95Å; S582-N586 PolarHBondContact O-ND2 2.81Å
583	I	90.3	Very high	90.1	Very high	74 Å²	74	54.3 Å²	54.3	38%	0.379	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-44	174.1	-73.8	162.6	0	0	0	110.5	R579 Q580 S581 L587	R579-I583 HydrophobicContact CG-CD1 4.11Å; R579-I583 WeakPolarHBondContact O-CB 3.32Å; R579-I583 WeakPolarHBondContact O-CD1 3.36Å; R579-I583 WeakPolarHBondContact O-CG1 3.32Å; R579-I583 PolarHBondContact O-N 3.41Å; Q580-I583 WeakPolarHBondContact O-CB 3.48Å; Q580-I583 PolarHBondContact O-N 3.15Å; S581-I583 VanDerWaalsContact C-N 3.32Å; S581-I583 PolarHBondContact O-N 2.87Å; I583-L587 HydrophobicContact CG2-CD1 3.78Å; I583-L587 WeakPolarHBondContact O-CB 3.36Å; I583-L587 WeakPolarHBondContact O-CD1 3.42Å; I583-L587 VanDerWaalsContact O-CG 3.23Å; I583-L587 WeakPolarHBondContact O-CG 3.34Å; I583-L587 PolarHBondContact O-N 2.98Å
584	V	91.9	Very high	89.1	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-51.2	176.2	171.9	0	0	0	0	110.8	W460 A490 I492 Y517 Q580 S581 N586 L587 Q588	W460-V584 HydrophobicContact CZ3-CG2 4.1Å; A490-V584 HydrophobicContact CB-CG1 3.77Å; I492-V584 HydrophobicContact CD1-CG2 3.97Å; Y517-V584 HydrophobicContact CD1-CB 4.4Å; Y517-V584 HydrophobicContact CD1-CG1 3.91Å; Y517-V584 HydrophobicContact CD1-CG2 4.16Å; Y517-V584 HydrophobicContact CD2-CG2 3.93Å; Y517-V584 HydrophobicContact CE1-CG1 4.24Å; Y517-V584 HydrophobicContact CG-CB 4.4Å; Y517-V584 HydrophobicContact CG-CG1 4.28Å; Y517-V584 HydrophobicContact CG-CG2 3.67Å; Q580-V584 WeakPolarHBondContact O-CG2 3.38Å; Q580-V584 PolarHBondContact O-N 3.04Å; S581-V584 WeakPolarHBondContact O-CB 3.46Å; S581-V584 PolarHBondContact O-N 3.24Å; S581-V584 VanDerWaalsContact O-N 3.08Å; V584-N586 VanDerWaalsContact C-N 3.35Å; V584-N586 PolarHBondContact O-N 2.83Å; V584-L587 PolarHBondContact O-N 3.39Å; V584-Q588 HydrophobicContact CG1-CG 4.39Å; V584-Q588 WeakPolarHBondContact O-CG 3.46Å; V584-Q588 PolarHBondContact O-N 2.87Å
585	T	91.9	Very high	87.5	Confident	68 Å²	68	61.3 Å²	61.3	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-58.5	-44.3	179.1	-50.1	0	0	0	0	111.8	S581 L587 Q588 L589	S581-T585 PolarHBondContact O-N 2.95Å; S581-T585 PolarHBondContact O-OG1 3.04Å; T585-L587 VanDerWaalsContact C-N 3.35Å; T585-L587 PolarHBondContact O-N 3.01Å; T585-Q588 WeakPolarHBondContact O-CB 3.26Å; T585-Q588 PolarHBondContact O-N 3.2Å; T585-L589 HydrophobicContact CG2-CD1 4.22Å; T585-L589 VanDerWaalsContact O-CG 3.31Å; T585-L589 WeakPolarHBondContact O-CG 3.37Å; T585-L589 PolarHBondContact O-N 3.35Å
586	N	91	Very high	85.7	Confident	90 Å²	90	67.3 Å²	67.3	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-35.6	175.9	-79.9	-63.1	0	0	0	112.5	S582 V584 N590	S582-N586 VanDerWaalsContact O-CB 3.28Å; S582-N586 WeakPolarHBondContact O-CB 3.21Å; S582-N586 VanDerWaalsContact O-CG 3.31Å; S582-N586 PolarHBondContact O-N 2.95Å; S582-N586 PolarHBondContact O-ND2 2.81Å; V584-N586 VanDerWaalsContact C-N 3.35Å; V584-N586 PolarHBondContact O-N 2.83Å; N586-N590 WeakPolarHBondContact O-CB 3.43Å; N586-N590 VanDerWaalsContact O-CG 3.27Å; N586-N590 PolarHBondContact O-N 3.15Å; N586-N590 PolarHBondContact O-ND2 3.15Å
587	L	89.8	Confident	83.8	Confident	24.5 Å²	24.5	71.3 Å²	71.3	13%	0.128	39%	0.391	C	S	.	.	H	α-helix	trans	-70.7	-35.5	175.6	-71.4	165.6	0	0	0	112	I492 I583 V584 T585 N590 A591 R600 V601	I492-L587 HydrophobicContact CD1-CD1 4.29Å; I492-L587 HydrophobicContact CG2-CD1 4.12Å; I583-L587 HydrophobicContact CG2-CD1 3.78Å; I583-L587 WeakPolarHBondContact O-CB 3.36Å; I583-L587 WeakPolarHBondContact O-CD1 3.42Å; I583-L587 VanDerWaalsContact O-CG 3.23Å; I583-L587 WeakPolarHBondContact O-CG 3.34Å; I583-L587 PolarHBondContact O-N 2.98Å; V584-L587 PolarHBondContact O-N 3.39Å; T585-L587 VanDerWaalsContact C-N 3.35Å; T585-L587 PolarHBondContact O-N 3.01Å; L587-N590 PolarHBondContact O-N 3.25Å; L587-A591 WeakPolarHBondContact O-CB 3.38Å; L587-A591 PolarHBondContact O-N 2.79Å; L587-R600 HydrophobicContact CD2-CG 4.27Å; L587-V601 HydrophobicContact CB-CB 4.42Å; L587-V601 HydrophobicContact CB-CG2 3.56Å; L587-V601 HydrophobicContact CD1-CG2 3.69Å; L587-V601 HydrophobicContact CD2-CG2 4.38Å; L587-V601 HydrophobicContact CG-CG2 4.07Å
588	Q	88.2	Confident	82.2	Confident	44 Å²	44	74 Å²	74	21%	0.206	41%	0.41	C	S	.	.	H	α-helix	trans	-62.6	-50.8	172.3	-72.9	165.5	-24.1	0	0	111.3	E488 V584 T585 N590 A591 S592 I603	E488-Q588 PolarHBondContact OE1-NE2 2.93Å; V584-Q588 HydrophobicContact CG1-CG 4.39Å; V584-Q588 WeakPolarHBondContact O-CG 3.46Å; V584-Q588 PolarHBondContact O-N 2.87Å; T585-Q588 WeakPolarHBondContact O-CB 3.26Å; T585-Q588 PolarHBondContact O-N 3.2Å; Q588-N590 VanDerWaalsContact C-N 3.26Å; Q588-N590 PolarHBondContact O-N 3.12Å; Q588-A591 WeakPolarHBondContact O-CB 3.25Å; Q588-A591 PolarHBondContact O-N 2.98Å; Q588-A591 VanDerWaalsContact O-N 3.14Å; Q588-S592 PolarHBondContact O-N 3.13Å; Q588-S592 PolarHBondContact O-OG 3.13Å; Q588-S592 VanDerWaalsContact O-OG 3.13Å; Q588-I603 HydrophobicContact CG-CD1 3.74Å; Q588-I603 HydrophobicContact CG-CG1 4.16Å; Q588-I603 VanDerWaalsContact NE2-CD1 3.32Å
589	L	88.2	Confident	81.1	Confident	87.5 Å²	87.5	76.1 Å²	76.1	46%	0.458	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-34.3	176.3	-69.4	170.5	0	0	0	112.7	T585 S592 R593	T585-L589 HydrophobicContact CG2-CD1 4.22Å; T585-L589 VanDerWaalsContact O-CG 3.31Å; T585-L589 WeakPolarHBondContact O-CG 3.37Å; T585-L589 PolarHBondContact O-N 3.35Å; L589-S592 PolarHBondContact O-OG 2.9Å; L589-R593 WeakPolarHBondContact O-CB 3.37Å; L589-R593 WeakPolarHBondContact O-CD 3.44Å; L589-R593 VanDerWaalsContact O-CG 3.22Å; L589-R593 WeakPolarHBondContact O-CG 3.32Å; L589-R593 PolarHBondContact O-N 2.89Å; L589-R593 VanDerWaalsContact O-N 3.1Å
590	N	85.8	Confident	80.7	Confident	85 Å²	85	77 Å²	77	46%	0.455	42%	0.415	S	S	.	.	H	α-helix	trans	-76.6	-29.2	175.4	-76.3	-49.4	0	0	0	113.3	N586 L587 Q588 S594	N586-N590 WeakPolarHBondContact O-CB 3.43Å; N586-N590 VanDerWaalsContact O-CG 3.27Å; N586-N590 PolarHBondContact O-N 3.15Å; N586-N590 PolarHBondContact O-ND2 3.15Å; L587-N590 PolarHBondContact O-N 3.25Å; Q588-N590 VanDerWaalsContact C-N 3.26Å; Q588-N590 PolarHBondContact O-N 3.12Å; N590-S594 VanDerWaalsContact O-CB 3.31Å; N590-S594 WeakPolarHBondContact O-CB 3.43Å; N590-S594 PolarHBondContact O-N 3.11Å
591	A	84.4	Confident	80.5	Confident	26 Å²	26	77.1 Å²	77.1	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-70.5	-46.7	172	0	0	0	0	0	111.2	L587 Q588 R593 S594 S598	L587-A591 WeakPolarHBondContact O-CB 3.38Å; L587-A591 PolarHBondContact O-N 2.79Å; Q588-A591 WeakPolarHBondContact O-CB 3.25Å; Q588-A591 PolarHBondContact O-N 2.98Å; Q588-A591 VanDerWaalsContact O-N 3.14Å; A591-R593 VanDerWaalsContact C-N 3.27Å; A591-R593 PolarHBondContact O-N 2.9Å; A591-S594 CarbonylContact O-C 3.6Å; A591-S594 PolarHBondContact O-N 3.09Å; A591-S598 VanDerWaalsContact CB-OG 3.31Å; A591-S598 WeakPolarHBondContact CB-OG 3.4Å
592	S	82.6	Confident	80.2	Confident	103 Å²	103	81.1 Å²	81.1	72%	0.72	43%	0.427	S	S	*	.	H	α-helix	trans	-63.2	-27.4	176.2	3.3	0	0	0	0	113.5	Q588 L589	Q588-S592 PolarHBondContact O-N 3.13Å; Q588-S592 PolarHBondContact O-OG 3.13Å; Q588-S592 VanDerWaalsContact O-OG 3.13Å; L589-S592 PolarHBondContact O-OG 2.9Å
593	R	82.5	Confident	80.1	Confident	211 Å²	211	81.6 Å²	81.6	80%	0.796	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.2	175.2	-73	175.4	176.6	-155.7	-2.5	114.7	L589 A591	L589-R593 WeakPolarHBondContact O-CB 3.37Å; L589-R593 WeakPolarHBondContact O-CD 3.44Å; L589-R593 VanDerWaalsContact O-CG 3.22Å; L589-R593 WeakPolarHBondContact O-CG 3.32Å; L589-R593 PolarHBondContact O-N 2.89Å; L589-R593 VanDerWaalsContact O-N 3.1Å; A591-R593 VanDerWaalsContact C-N 3.27Å; A591-R593 PolarHBondContact O-N 2.9Å
594	S	70.1	Confident	80.2	Confident	38.5 Å²	38.5	78.5 Å²	78.5	27%	0.269	41%	0.407	S	S	.	.			trans	-141.6	107.7	-171.7	-169.3	0	0	0	0	113.2	N590 A591 L596 N597 S598	N590-S594 VanDerWaalsContact O-CB 3.31Å; N590-S594 WeakPolarHBondContact O-CB 3.43Å; N590-S594 PolarHBondContact O-N 3.11Å; A591-S594 CarbonylContact O-C 3.6Å; A591-S594 PolarHBondContact O-N 3.09Å; S594-L596 PolarHBondContact O-N 3.19Å; S594-L596 VanDerWaalsContact O-N 3.14Å; S594-N597 PolarHBondContact O-N 3.1Å; S594-N597 WeakPolarHBondContact OG-CB 3.36Å; S594-N597 PolarHBondContact OG-N 3.29Å; S594-S598 PolarHBondContact O-N 3.31Å
595	S	61.7	Low	80.1	Confident	111 Å²	111	79.5 Å²	79.5	78%	0.776	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.3	173	52	0	0	0	0	113.9	N597 S598	S595-N597 VanDerWaalsContact C-N 3.33Å; S595-N597 PolarHBondContact O-N 3.39Å; S595-S598 VanDerWaalsContact O-CB 3.29Å; S595-S598 WeakPolarHBondContact O-CB 3.49Å; S595-S598 PolarHBondContact O-N 3.34Å
596	L	57.1	Low	79.6	Confident	136.5 Å²	136.5	78.3 Å²	78.3	72%	0.715	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-102.1	-10.7	-173.7	-69.1	169.2	0	0	0	114.6	S594	S594-L596 PolarHBondContact O-N 3.19Å; S594-L596 VanDerWaalsContact O-N 3.14Å
597	N	53.2	Low	78.9	Confident	86 Å²	86	77.5 Å²	77.5	46%	0.46	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-111.9	-0.9	-178.7	-93.8	-35.4	0	0	0	114.9	S594 S595 H599 R600	S594-N597 PolarHBondContact O-N 3.1Å; S594-N597 WeakPolarHBondContact OG-CB 3.36Å; S594-N597 PolarHBondContact OG-N 3.29Å; S595-N597 VanDerWaalsContact C-N 3.33Å; S595-N597 PolarHBondContact O-N 3.39Å; N597-H599 PolarHBondContact O-N 3.29Å; N597-H599 VanDerWaalsContact O-N 3.11Å; N597-R600 WeakPolarHBondContact O-CB 3.35Å; N597-R600 PolarHBondContact O-N 3.1Å
598	S	59.2	Low	77.5	Confident	59.5 Å²	59.5	81.6 Å²	81.6	42%	0.416	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-62.5	-0.4	-178.2	-171.7	0	0	0	0	114.3	A591 S594 S595 R600 V601	A591-S598 VanDerWaalsContact CB-OG 3.31Å; A591-S598 WeakPolarHBondContact CB-OG 3.4Å; S594-S598 PolarHBondContact O-N 3.31Å; S595-S598 VanDerWaalsContact O-CB 3.29Å; S595-S598 WeakPolarHBondContact O-CB 3.49Å; S595-S598 PolarHBondContact O-N 3.34Å; S598-R600 PolarHBondContact O-N 2.98Å; S598-V601 CarbonylContact O-C 3.59Å; S598-V601 PolarHBondContact O-N 3.13Å; S598-V601 VanDerWaalsContact O-O 3.1Å
599	H	67.9	Low	76.1	Confident	130.5 Å²	130.5	81.4 Å²	81.4	60%	0.604	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-75.8	-11.4	176.5	-57.6	-56.6	0	0	0	114.8	N597	N597-H599 PolarHBondContact O-N 3.29Å; N597-H599 VanDerWaalsContact O-N 3.11Å
600	R	80.7	Confident	74.4	Confident	142 Å²	142	81.8 Å²	81.8	54%	0.536	44%	0.439	S	S	.	.	S	Bend	trans	-84.2	-29.9	-177.8	-170.5	170.2	179.6	178.1	-0.1	113.3	I492 N493 L587 N597 S598	I492-R600 WeakPolarHBondContact CA-O 3.19Å; N493-R600 PolarHBondContact N-O 3.36Å; L587-R600 HydrophobicContact CD2-CG 4.27Å; N597-R600 WeakPolarHBondContact O-CB 3.35Å; N597-R600 PolarHBondContact O-N 3.1Å; S598-R600 PolarHBondContact O-N 2.98Å
601	V	87.9	Confident	72.5	Confident	8 Å²	8	83.6 Å²	83.6	5%	0.048	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	128.1	177.3	148.5	0	0	0	0	110.5	A490 L491 I492 L587 S598 I603	A490-V601 HydrophobicContact CB-CG1 4.28Å; L491-V601 CarbonylContact O-C 3.53Å; L491-V601 VanDerWaalsContact O-CA 3.29Å; L491-V601 WeakPolarHBondContact O-CA 3.38Å; I492-V601 HydrophobicContact CB-CG2 4.27Å; I492-V601 HydrophobicContact CG1-CG2 3.96Å; I492-V601 HydrophobicContact CG2-CG2 4.1Å; L587-V601 HydrophobicContact CB-CB 4.42Å; L587-V601 HydrophobicContact CB-CG2 3.56Å; L587-V601 HydrophobicContact CD1-CG2 3.69Å; L587-V601 HydrophobicContact CD2-CG2 4.38Å; L587-V601 HydrophobicContact CG-CG2 4.07Å; S598-V601 CarbonylContact O-C 3.59Å; S598-V601 PolarHBondContact O-N 3.13Å; S598-V601 VanDerWaalsContact O-O 3.1Å; V601-I603 HydrophobicContact CG1-CD1 3.5Å; V601-I603 VanDerWaalsContact CG1-CD1 3.49Å; V601-I603 HydrophobicContact CG1-CG1 4.3Å
602	R	87.8	Confident	70.4	Confident	115 Å²	115	90.7 Å²	90.7	43%	0.434	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.3	169	-54.5	-171.2	-63.2	124.7	-1.2	108.4	D473 A490 L491	D473-R602 IonicContact OD1-CZ 3.66Å; D473-R602 VanDerWaalsContact OD1-CZ 3.31Å; D473-R602 IonicContact OD1-NH1 2.77Å; D473-R602 PolarHBondContact OD1-NH1 3.21Å; D473-R602 IonicContact OD1-NH2 3.16Å; D473-R602 PolarHBondContact OD1-NH2 3.02Å; D473-R602 IonicContact OD2-CZ 2.72Å; D473-R602 IonicContact OD2-NH1 3.55Å; D473-R602 PolarHBondContact OD2-NH1 3.17Å; A490-R602 WeakPolarHBondContact CA-O 3.36Å; L491-R602 HydrophobicContact CB-CB 4.45Å; L491-R602 VanDerWaalsContact CD1-NH2 3.34Å; L491-R602 PolarHBondContact N-O 3.15Å; L491-R602 PolarHBondContact O-N 3.42Å
603	I	90.7	Very high	68.6	Low	72.6667 Å²	72.6667	94.3 Å²	94.3	37%	0.373	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	179.8	-53.2	-86.1	0	0	0	108.6	E488 A490 Q588 V601	E488-I603 HydrophobicContact CG-CG2 4.06Å; A490-I603 HydrophobicContact CB-CD1 3.41Å; A490-I603 VanDerWaalsContact CB-CD1 3.41Å; Q588-I603 HydrophobicContact CG-CD1 3.74Å; Q588-I603 HydrophobicContact CG-CG1 4.16Å; Q588-I603 VanDerWaalsContact NE2-CD1 3.32Å; V601-I603 HydrophobicContact CG1-CD1 3.5Å; V601-I603 VanDerWaalsContact CG1-CD1 3.49Å; V601-I603 HydrophobicContact CG1-CG1 4.3Å
604	I	91.2	Very high	66.7	Low	8.33333 Å²	8.33333	89.9 Å²	89.9	4%	0.043	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.3	175.8	-46.7	167.5	0	0	0	106.3	D473 L476 L477 E488 I489 L491 I609	D473-I604 HydrophobicContact CB-CD1 3.58Å; D473-I604 HydrophobicContact CB-CG1 3.84Å; D473-I604 HydrophobicContact CB-CG2 4.24Å; L476-I604 HydrophobicContact CD2-CD1 4.23Å; L477-I604 HydrophobicContact CB-CG2 4.19Å; L477-I604 HydrophobicContact CD2-CG2 4.36Å; E488-I604 CarbonylContact C-O 3.55Å; E488-I604 WeakPolarHBondContact CA-O 3.35Å; I489-I604 HydrophobicContact CB-CB 4.23Å; I489-I604 HydrophobicContact CB-CD1 4.37Å; I489-I604 PolarHBondContact N-O 3.29Å; I489-I604 PolarHBondContact O-N 2.98Å; L491-I604 HydrophobicContact CD1-CD1 3.84Å; L491-I604 HydrophobicContact CG-CD1 4.28Å; I604-I609 HydrophobicContact CG2-CD1 4.14Å
605	S	89.6	Confident	65.3	Low	22.6667 Å²	22.6667	92.1 Å²	92.1	16%	0.159	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.8	-177.7	-57.5	0	0	0	0	109.8	S607 N608	S605-S607 VanDerWaalsContact C-N 3.25Å; S605-S607 WeakPolarHBondContact CB-OG 3.23Å; S605-S607 PolarHBondContact O-N 3.11Å; S605-N608 PolarHBondContact O-N 2.92Å; S605-N608 VanDerWaalsContact O-N 3.14Å
606	S	82.4	Confident	64.3	Low	41.6667 Å²	41.6667	90.5 Å²	90.5	29%	0.291	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28	-178.3	38.6	0	0	0	0	113.4	V486 Q487 N608 I609 V610	V486-S606 WeakPolarHBondContact O-CB 3.42Å; V486-S606 PolarHBondContact O-OG 2.87Å; Q487-S606 PolarHBondContact O-N 3.2Å; Q487-S606 PolarHBondContact O-OG 2.96Å; S606-N608 VanDerWaalsContact C-N 3.31Å; S606-N608 PolarHBondContact O-N 3.12Å; S606-N608 VanDerWaalsContact O-N 3.16Å; S606-I609 PolarHBondContact O-N 3.46Å; S606-V610 PolarHBondContact O-N 3.28Å
607	S	75.2	Confident	63.5	Low	74.3333 Å²	74.3333	90.3 Å²	90.3	52%	0.52	46%	0.463	S	S	.	.	H	α-helix	trans	-54.7	-37.9	171.2	50.7	0	0	0	0	113.7	S605 I609 V610	S605-S607 VanDerWaalsContact C-N 3.25Å; S605-S607 WeakPolarHBondContact CB-OG 3.23Å; S605-S607 PolarHBondContact O-N 3.11Å; S607-I609 PolarHBondContact O-N 2.95Å; S607-I609 VanDerWaalsContact O-N 3.12Å; S607-V610 PolarHBondContact O-N 3.07Å
608	N	61.6	Low	62.8	Low	110 Å²	110	93.8 Å²	93.8	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-84	-3	-167.7	-58.9	10.7	0	0	0	113.2	S605 S606	S605-N608 PolarHBondContact O-N 2.92Å; S605-N608 VanDerWaalsContact O-N 3.14Å; S606-N608 VanDerWaalsContact C-N 3.31Å; S606-N608 PolarHBondContact O-N 3.12Å; S606-N608 VanDerWaalsContact O-N 3.16Å
609	I	58.8	Low	61.7	Low	40 Å²	40	97.7 Å²	97.7	21%	0.205	50%	0.496	C	S	.	.	H	α-helix	trans	-108.8	-32.5	-172.9	-70.7	162.7	0	0	0	111.1	E474 L477 I604 S606 S607 D611 R612 W613	E474-I609 HydrophobicContact CG-CD1 4.11Å; E474-I609 HydrophobicContact CG-CG1 4.43Å; L477-I609 HydrophobicContact CD2-CD1 3.54Å; I604-I609 HydrophobicContact CG2-CD1 4.14Å; S606-I609 PolarHBondContact O-N 3.46Å; S607-I609 PolarHBondContact O-N 2.95Å; S607-I609 VanDerWaalsContact O-N 3.12Å; I609-D611 PolarHBondContact O-N 3.31Å; I609-R612 WeakPolarHBondContact O-CB 3.44Å; I609-R612 PolarHBondContact O-N 3.06Å; I609-W613 HydrophobicContact CG2-CE3 4.5Å; I609-W613 PolarHBondContact O-N 3.09Å
610	V	53	Low	60.1	Low	96.6667 Å²	96.6667	96.2 Å²	96.2	59%	0.586	50%	0.5	S	S	*	.	H	α-helix	trans	-60	-50.7	179.1	178.5	0	0	0	0	111.2	S606 S607 R612 W613 D614	S606-V610 PolarHBondContact O-N 3.28Å; S607-V610 PolarHBondContact O-N 3.07Å; V610-R612 PolarHBondContact O-N 3.31Å; V610-R612 VanDerWaalsContact O-N 3.11Å; V610-W613 PolarHBondContact O-N 3.06Å; V610-W613 VanDerWaalsContact O-N 3.09Å; V610-D614 PolarHBondContact O-N 3Å; V610-D614 VanDerWaalsContact O-N 3.14Å
611	D	44.7	Very low	57.7	Low	122.667 Å²	122.667	94.9 Å²	94.9	66%	0.656	51%	0.513	S	S	*	.	H	α-helix	trans	-58.3	-25	178.9	-59.8	-19.7	0	0	0	113.1	I609 S615	I609-D611 PolarHBondContact O-N 3.31Å; D611-S615 WeakPolarHBondContact O-CB 3.45Å; D611-S615 PolarHBondContact O-N 2.89Å; D611-S615 PolarHBondContact O-OG 3.24Å
612	R	41.6	Very low	55	Low	175.667 Å²	175.667	103.9 Å²	103.9	66%	0.663	55%	0.552	S	S	*	*	H	α-helix	trans	-84.4	-30.5	-178.6	-151.6	178.4	-158.7	-172.2	5.4	112.8	I609 V610 D614 S615 S616	I609-R612 WeakPolarHBondContact O-CB 3.44Å; I609-R612 PolarHBondContact O-N 3.06Å; V610-R612 PolarHBondContact O-N 3.31Å; V610-R612 VanDerWaalsContact O-N 3.11Å; R612-D614 VanDerWaalsContact C-N 3.34Å; R612-S615 WeakPolarHBondContact O-CB 3.41Å; R612-S615 PolarHBondContact O-N 3.19Å; R612-S615 VanDerWaalsContact O-N 3.09Å; R612-S616 PolarHBondContact O-N 3.36Å; R612-S616 PolarHBondContact O-OG 3.23Å
613	W	44.3	Very low	52.5	Low	177.333 Å²	177.333	106.7 Å²	106.7	67%	0.672	57%	0.57	S	S	*	*	H	α-helix	trans	-70.5	-44.3	-178	-161.9	-86.6	0	0	0	111.8	I609 V610 S615 S616	I609-W613 HydrophobicContact CG2-CE3 4.5Å; I609-W613 PolarHBondContact O-N 3.09Å; V610-W613 PolarHBondContact O-N 3.06Å; V610-W613 VanDerWaalsContact O-N 3.09Å; W613-S615 VanDerWaalsContact C-N 3.28Å; W613-S615 PolarHBondContact O-N 2.93Å; W613-S616 PolarHBondContact O-N 3.21Å; W613-S616 PolarHBondContact O-OG 3.01Å
614	D	41.1	Very low	49.8	Very low	118 Å²	118	108.5 Å²	108.5	63%	0.631	59%	0.586	S	S	*	*	H	α-helix	trans	-71.8	-12.7	176.8	-122.1	-5.7	0	0	0	112.9	V610 R612 S616 K618	V610-D614 PolarHBondContact O-N 3Å; V610-D614 VanDerWaalsContact O-N 3.14Å; R612-D614 VanDerWaalsContact C-N 3.34Å; D614-S616 VanDerWaalsContact C-N 3.3Å; D614-S616 PolarHBondContact O-N 3.36Å; D614-K618 WeakPolarHBondContact O-CD 3.29Å; D614-K618 WeakPolarHBondContact O-CE 3.39Å; D614-K618 WeakPolarHBondContact O-CG 3.48Å; D614-K618 PolarHBondContact O-NZ 3.38Å; D614-K618 VanDerWaalsContact OD1-CE 3.27Å; D614-K618 WeakPolarHBondContact OD1-CE 3.48Å; D614-K618 IonicContact OD1-NZ 3.62Å; D614-K618 PolarHBondContact OD1-NZ 2.89Å; D614-K618 VanDerWaalsContact OD1-NZ 3.15Å; D614-K618 IonicContact OD2-NZ 3.75Å; D614-K618 PolarHBondContact OD2-NZ 3.44Å
615	S	40.8	Very low	47.3	Very low	85.3333 Å²	85.3333	114.2 Å²	114.2	60%	0.597	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-19.7	175.5	-64.4	0	0	0	0	113.9	D611 R612 W613 N617	D611-S615 WeakPolarHBondContact O-CB 3.45Å; D611-S615 PolarHBondContact O-N 2.89Å; D611-S615 PolarHBondContact O-OG 3.24Å; R612-S615 WeakPolarHBondContact O-CB 3.41Å; R612-S615 PolarHBondContact O-N 3.19Å; R612-S615 VanDerWaalsContact O-N 3.09Å; W613-S615 VanDerWaalsContact C-N 3.28Å; W613-S615 PolarHBondContact O-N 2.93Å; S615-N617 VanDerWaalsContact C-N 3.3Å; S615-N617 PolarHBondContact O-N 3.17Å
616	S	41.7	Very low	44.8	Very low	78.3333 Å²	78.3333	119.6 Å²	119.6	55%	0.548	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-14.9	-173.4	63.1	0	0	0	0	114.9	R612 W613 D614 K618	R612-S616 PolarHBondContact O-N 3.36Å; R612-S616 PolarHBondContact O-OG 3.23Å; W613-S616 PolarHBondContact O-N 3.21Å; W613-S616 PolarHBondContact O-OG 3.01Å; D614-S616 VanDerWaalsContact C-N 3.3Å; D614-S616 PolarHBondContact O-N 3.36Å; S616-K618 VanDerWaalsContact C-N 3.27Å; S616-K618 PolarHBondContact O-N 3.04Å
617	N	41.2	Very low	42.4	Very low	131.333 Å²	131.333	122.2 Å²	122.2	70%	0.702	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	8.4	-177.6	-76.2	-13.2	0	0	0	114.3	S615 T619	S615-N617 VanDerWaalsContact C-N 3.3Å; S615-N617 PolarHBondContact O-N 3.17Å; N617-T619 PolarHBondContact O-N 2.88Å
618	K	37.9	Very low	40.5	Very low	159.333 Å²	159.333	124.2 Å²	124.2	69%	0.693	69%	0.694	S	S	*	*	S	Bend	trans	-112.7	92.2	178.5	-73.5	178.6	-178.5	156.6	0	112.9	D614 S616 S620	D614-K618 WeakPolarHBondContact O-CD 3.29Å; D614-K618 WeakPolarHBondContact O-CE 3.39Å; D614-K618 WeakPolarHBondContact O-CG 3.48Å; D614-K618 PolarHBondContact O-NZ 3.38Å; D614-K618 VanDerWaalsContact OD1-CE 3.27Å; D614-K618 WeakPolarHBondContact OD1-CE 3.48Å; D614-K618 IonicContact OD1-NZ 3.62Å; D614-K618 PolarHBondContact OD1-NZ 2.89Å; D614-K618 VanDerWaalsContact OD1-NZ 3.15Å; D614-K618 IonicContact OD2-NZ 3.75Å; D614-K618 PolarHBondContact OD2-NZ 3.44Å; S616-K618 VanDerWaalsContact C-N 3.27Å; S616-K618 PolarHBondContact O-N 3.04Å; K618-S620 PolarHBondContact O-N 2.9Å
619	T	35.5	Very low	39.1	Very low	141.333 Å²	141.333	125.2 Å²	125.2	87%	0.867	70%	0.704	S	S	*	*			trans	-77	88.6	174	48.7	0	0	0	0	114.4	N617	N617-T619 PolarHBondContact O-N 2.88Å
620	S	33.7	Very low	37.9	Very low	99 Å²	99	127.8 Å²	127.8	69%	0.692	73%	0.732	S	S	*	*			trans	-124.9	152.9	156.7	59	0	0	0	0	111.6	K618 F622	K618-S620 PolarHBondContact O-N 2.9Å; S620-F622 PolarHBondContact O-N 2.81Å
621	S	30.3	Very low	37	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	74%	0.739	S	S	*	*			trans	-46.8	107.2	-178.1	56.9	0	0	0	0	113.8
622	F	32.9	Very low	36.5	Very low	198 Å²	198	130.2 Å²	130.2	87%	0.868	74%	0.744	S	S	*	*			trans	-139.1	135.5	149.1	-105.3	-84.2	0	0	0	111.2	S620	S620-F622 PolarHBondContact O-N 2.81Å
623	Q	33.4	Very low	36.1	Very low	172.667 Å²	172.667	126.8 Å²	126.8	81%	0.807	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-73.8	144.2	178.7	-95.6	176.5	-56.7	0	0	111.2	P625	Q623-P625 WeakPolarHBondContact O-CD 3.42Å
624	P	34.9	Very low	35.6	Very low	111 Å²	111	125.7 Å²	125.7	72%	0.721	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-70.2	127.3	168.4	29	-32.2	0	0	0	109.9	T626	P624-T626 PolarHBondContact O-N 3.12Å; P624-T626 VanDerWaalsContact O-N 3.09Å
625	P	39.6	Very low	35.3	Very low	127 Å²	127	125.9 Å²	125.9	83%	0.825	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-69.4	121.9	179	27.2	-33.2	0	0	0	110.7	Q623	Q623-P625 WeakPolarHBondContact O-CD 3.42Å
626	T	35.9	Very low	34.9	Very low	136.667 Å²	136.667	126.9 Å²	126.9	84%	0.838	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-73	138	169.3	37.2	0	0	0	0	110.4	P624 S628	P624-T626 PolarHBondContact O-N 3.12Å; P624-T626 VanDerWaalsContact O-N 3.09Å; T626-S628 PolarHBondContact O-N 3.16Å; T626-S628 VanDerWaalsContact O-N 3.12Å
627	A	33.3	Very low	34.6	Very low	95.6667 Å²	95.6667	133 Å²	133	79%	0.791	78%	0.779	S	S	*	*			trans	-83.5	128.4	-178.2	0	0	0	0	0	112
628	S	33.9	Very low	34.1	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	78%	0.777	S	S	*	*			trans	-132.4	128.1	165.6	-76.3	0	0	0	0	110.6	T626 A630	T626-S628 PolarHBondContact O-N 3.16Å; T626-S628 VanDerWaalsContact O-N 3.12Å; S628-A630 PolarHBondContact O-N 2.84Å
629	T	33.2	Very low	34.2	Very low	131 Å²	131	130.4 Å²	130.4	80%	0.804	78%	0.779	S	S	*	*			trans	-66.2	109	173.9	-20.7	0	0	0	0	113.2	I631	T629-I631 HydrophobicContact CG2-CD1 4.1Å
630	A	33.5	Very low	34.1	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	77%	0.773	S	S	*	*			trans	-141.5	106	158.3	0	0	0	0	0	109.4	S628 T632	S628-A630 PolarHBondContact O-N 2.84Å; A630-T632 PolarHBondContact O-N 3.39Å
631	I	33	Very low	34.1	Very low	144.333 Å²	144.333	131 Å²	131	74%	0.74	78%	0.777	S	S	*	*			trans	-91.2	112	146.9	-57.1	170.8	0	0	0	109.5	T629 T633	T629-I631 HydrophobicContact CG2-CD1 4.1Å; I631-T633 WeakPolarHBondContact CG2-OG1 3.43Å; I631-T633 PolarHBondContact O-N 3.39Å
632	T	35.9	Very low	34.4	Very low	125 Å²	125	132.5 Å²	132.5	77%	0.767	78%	0.775	S	S	*	*			trans	-146.9	103.6	154.3	-65.6	0	0	0	0	109.3	A630 L634	A630-T632 PolarHBondContact O-N 3.39Å; T632-L634 HydrophobicContact CG2-CD2 4.44Å; T632-L634 PolarHBondContact O-N 2.86Å; T632-L634 VanDerWaalsContact O-N 3.12Å
633	T	32.6	Very low	34.5	Very low	105.333 Å²	105.333	127.4 Å²	127.4	65%	0.646	77%	0.765	S	S	*	*			trans	-29.6	132.5	145.4	30.9	0	0	0	0	114.8	I631 T635	I631-T633 WeakPolarHBondContact CG2-OG1 3.43Å; I631-T633 PolarHBondContact O-N 3.39Å; T633-T635 HydrophobicContact CG2-CG2 4.16Å; T633-T635 PolarHBondContact O-N 2.92Å; T633-T635 PolarHBondContact O-OG1 3.25Å
634	L	34.6	Very low	34.6	Very low	152.333 Å²	152.333	129.1 Å²	129.1	80%	0.798	76%	0.764	S	S	*	*			trans	-123.2	125.6	153.2	-70.6	178	0	0	0	112.9	T632	T632-L634 HydrophobicContact CG2-CD2 4.44Å; T632-L634 PolarHBondContact O-N 2.86Å; T632-L634 VanDerWaalsContact O-N 3.12Å
635	T	33.8	Very low	34.6	Very low	122.333 Å²	122.333	130.6 Å²	130.6	75%	0.751	77%	0.765	S	S	*	*			trans	-132.1	133.1	161.1	36.3	0	0	0	0	113.3	T633	T633-T635 HydrophobicContact CG2-CG2 4.16Å; T633-T635 PolarHBondContact O-N 2.92Å; T633-T635 PolarHBondContact O-OG1 3.25Å
636	S	33.4	Very low	34.5	Very low	106.667 Å²	106.667	129.4 Å²	129.4	75%	0.746	76%	0.761	S	S	*	*			trans	-115.5	129.2	156.3	-50.2	0	0	0	0	113.7
637	K	34.3	Very low	34.5	Very low	206 Å²	206	128.4 Å²	128.4	90%	0.896	76%	0.759	S	S	*	*			trans	156.7	136	146.3	-93	166.1	-175.7	-178.8	0	113.2
638	S	31.3	Very low	34.8	Very low	94.6667 Å²	94.6667	130.2 Å²	130.2	66%	0.662	76%	0.762	S	S	*	*				-175.3	140.1	63.3	-171	0	0	0	0	110.7
639	I	39.6	Very low	34.9	Very low	143.333 Å²	143.333	127.9 Å²	127.9	74%	0.735	76%	0.757	S	S	*	*			trans	-167.6	132.6	157.2	-60.3	-178.4	0	0	0	109.5
640	D	33.1	Very low	34.8	Very low	137.667 Å²	137.667	127.2 Å²	127.2	74%	0.736	76%	0.758	S	S	*	*			trans	-116.3	158.6	-157.3	-70.3	-72.6	0	0	0	110.4
641	C	34.3	Very low	35	Very low	114.667 Å²	114.667	128.6 Å²	128.6	78%	0.775	76%	0.757	S	S	*	*			trans	-156.1	143	148.5	25.2	0	0	0	0	110.8
642	N	35.7	Very low	34.9	Very low	145.333 Å²	145.333	130.8 Å²	130.8	78%	0.777	76%	0.761	S	S	*	*			trans	-28.3	156.4	170	-77.6	-59	0	0	0	115.5
643	S	34.5	Very low	35	Very low	92.3333 Å²	92.3333	129.6 Å²	129.6	65%	0.646	76%	0.756	S	S	*	*				-168.3	116.8	50.1	-178.7	0	0	0	0	114.5
644	R	36	Very low	34.9	Very low	208.333 Å²	208.333	131.9 Å²	131.9	79%	0.786	76%	0.763	S	S	*	*			trans	50.9	144	138	-60	175.6	-156.5	-161	1.5	120.1
645	N	35.9	Very low	34.7	Very low	141.333 Å²	141.333	130.3 Å²	130.3	76%	0.756	76%	0.76	S	S	*	*				161.3	151.9	102.3	-86	-3.9	0	0	0	113.9
646	S	36.4	Very low	34.8	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	76%	0.759	S	S	*	*			trans	86.1	127.6	137.8	50.3	0	0	0	0	118.5
647	S	36.7	Very low	34.9	Very low	114.333 Å²	114.333	133 Å²	133	80%	0.8	76%	0.759	S	S	*	*				58.3	162	107	-45.2	0	0	0	0	117.4
648	P	39.4	Very low	34.8	Very low	133.333 Å²	133.333	128.2 Å²	128.2	87%	0.866	75%	0.752	S	S	*	*			trans	-123.7	174.7	-145.2	38.1	-23.6	0	0	0	115.8
649	G	34.9	Very low	34.8	Very low	69.6667 Å²	69.6667	128.7 Å²	128.7	72%	0.718	76%	0.756	S	S	*	*			trans	166	104.9	165	0	0	0	0	0	113.6
650	S	32.4	Very low	34.6	Very low	116.667 Å²	116.667	129.6 Å²	129.6	82%	0.816	76%	0.761	S	S	*	*				67.5	132.2	76.6	-155	0	0	0	0	116.1
651	V	36.3	Very low	34.6	Very low	124.333 Å²	124.333	129.2 Å²	129.2	75%	0.754	76%	0.759	S	S	*	*				162.6	120.5	123.2	-176.8	0	0	0	0	115.1
652	F	31.7	Very low	34.7	Very low	190.667 Å²	190.667	128.9 Å²	128.9	84%	0.836	75%	0.754	S	S	*	*			trans	5.6	-172	143.9	-69.1	-95.9	0	0	0	117.4
653	P	37.1	Very low	34.6	Very low	100 Å²	100	128.3 Å²	128.3	65%	0.649	75%	0.751	S	S	*	*				-138.3	-176.3	-76.1	43.5	-26.5	0	0	0	115.3
654	L	30.6	Very low	34.6	Very low	153.333 Å²	153.333	129.1 Å²	129.1	80%	0.803	75%	0.752	S	S	*	*			trans	68.2	131.2	141.5	-94.1	131	0	0	0	119
655	T	31.9	Very low	34.5	Very low	118 Å²	118	127.7 Å²	127.7	72%	0.724	75%	0.752	S	S	*	*			trans	-174.8	134.3	137.3	-62	0	0	0	0	113.9
656	V	35	Very low	34.4	Very low	122.333 Å²	122.333	126.7 Å²	126.7	74%	0.741	75%	0.75	S	S	*	*			trans	-139	127.2	151.7	171.5	0	0	0	0	109.9
657	H	35	Very low	34.3	Very low	162.667 Å²	162.667	126.1 Å²	126.1	75%	0.753	75%	0.747	S	S	*	*			trans	-91.8	140.7	152.1	-75.7	-91.8	0	0	0	112.7
658	S	31.9	Very low	34.1	Very low	106.333 Å²	106.333	127.4 Å²	127.4	74%	0.744	74%	0.744	S	S	*	*				168.2	165.2	76.1	-67.2	0	0	0	0	112.5
659	S	32.8	Very low	33.7	Very low	106 Å²	106	131.6 Å²	131.6	74%	0.741	74%	0.743	S	S	*	*			trans	-140.7	155.2	-165.5	45.3	0	0	0	0	112.5
660	L	34.6	Very low	33.6	Very low	160.333 Å²	160.333	134 Å²	134	84%	0.839	74%	0.744	S	S	*	*			cis	-150	-172.4	13	-147.1	71.4	0	0	0	111.2
661	N	33.9	Very low	33.6	Very low	129.667 Å²	129.667	133.3 Å²	133.3	69%	0.693	74%	0.739	S	S	*	*			trans	-107.4	158.2	143.9	-166.6	18.1	0	0	0	115.3
662	T	35.3	Very low	33.4	Very low	109.333 Å²	109.333	133.3 Å²	133.3	67%	0.671	74%	0.739	S	S	*	*			trans	-159.6	153	162.6	55	0	0	0	0	115.2
663	N	33.3	Very low	33.6	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	74%	0.742	S	S	*	*			cis	-132.2	175.9	5.5	-94.7	-31.7	0	0	0	109.9
664	T	34.6	Very low	33.4	Very low	109 Å²	109	134.4 Å²	134.4	67%	0.669	75%	0.747	S	S	*	*			cis	-173	155.8	41.3	22.2	0	0	0	0	112.5
665	K	34	Very low	33.6	Very low	179 Å²	179	135.1 Å²	135.1	78%	0.778	75%	0.751	S	S	*	*			cis	164.6	163.5	45.7	-107.4	167.7	-178.6	178.1	0	113.1
666	T	34.8	Very low	33.7	Very low	119 Å²	119	134.4 Å²	134.4	73%	0.73	75%	0.747	S	S	*	*			trans	72.3	129.6	142.2	48.5	0	0	0	0	114.9
667	S	33.4	Very low	33.8	Very low	91.6667 Å²	91.6667	136.7 Å²	136.7	64%	0.641	75%	0.748	S	S	*	*			cis	163.9	159.8	26.9	-121.2	0	0	0	0	114.1
668	N	32.4	Very low	33.8	Very low	140.667 Å²	140.667	135.7 Å²	135.7	75%	0.752	75%	0.748	S	S	*	*			trans	56.3	130.7	148	-63.8	-44	0	0	0	118.3
669	R	31.7	Very low	34	Very low	221 Å²	221	136.3 Å²	136.3	83%	0.834	75%	0.747	S	S	*	*				112.7	144.8	78.5	-134	-177.1	175.6	-176.5	-0.5	113.9
670	T	33	Very low	34.2	Very low	121 Å²	121	136.9 Å²	136.9	74%	0.742	75%	0.752	S	S	*	*			trans	52.1	128.6	147.8	18.5	0	0	0	0	117.8
671	S	32.6	Very low	34.3	Very low	102.667 Å²	102.667	132.3 Å²	132.3	72%	0.718	74%	0.743	S	S	*	*				-178.5	152.6	59.3	-109.7	0	0	0	0	113
672	T	32.3	Very low	34.4	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	75%	0.754	S	S	*	*			trans	-81.7	151.2	136	47.8	0	0	0	0	113.7
673	Q	36.1	Very low	34.5	Very low	193 Å²	193	133.8 Å²	133.8	90%	0.902	76%	0.759	S	S	*	*			trans	-129.9	139.7	147.5	-85.5	175.5	35.8	0	0	109.2
674	T	33.1	Very low	34.7	Very low	120.667 Å²	120.667	132.9 Å²	132.9	74%	0.74	76%	0.763	S	S	*	*			trans	-142.6	123.4	150.1	-47.1	0	0	0	0	111.1
675	L	33.4	Very low	34.7	Very low	168.333 Å²	168.333	134.1 Å²	134.1	88%	0.881	77%	0.765	S	S	*	*			trans	-151	138.8	148.3	-146.9	73.1	0	0	0	110.6
676	T	34.4	Very low	34.9	Very low	104.333 Å²	104.333	133.4 Å²	133.4	64%	0.64	76%	0.764	S	S	*	*			trans	-141.7	133.3	176.7	24.4	0	0	0	0	115.1
677	H	37	Very low	35	Very low	169 Å²	169	133 Å²	133	78%	0.782	76%	0.758	S	S	*	*			trans	91.1	138.6	154.7	-68.9	-73	0	0	0	115.7
678	L	35.5	Very low	35.2	Very low	143.667 Å²	143.667	135.3 Å²	135.3	75%	0.752	76%	0.758	S	S	*	*			cis	-164.8	155.2	5.4	-108.9	176.1	0	0	0	108.3
679	T	36.3	Very low	35.4	Very low	117 Å²	117	134.7 Å²	134.7	72%	0.718	75%	0.751	S	S	*	*			trans	-88.7	156.2	159.7	19.9	0	0	0	0	114.2
680	S	37.4	Very low	35.5	Very low	119.333 Å²	119.333	132.1 Å²	132.1	83%	0.834	75%	0.745	S	S	*	*			cis	157.4	160.8	25.8	50.1	0	0	0	0	112.8
681	G	35.8	Very low	35.8	Very low	63 Å²	63	131.4 Å²	131.4	65%	0.649	74%	0.741	S	S	*	*			cis	149.5	149	-4.4	0	0	0	0	0	112.5
682	L	36.7	Very low	35.7	Very low	180 Å²	180	133 Å²	133	94%	0.942	74%	0.742	S	S	*	*			trans	67.5	129.2	145.6	-55.5	173	0	0	0	114.9
683	A	36.7	Very low	35.9	Very low	91.6667 Å²	91.6667	133.9 Å²	133.9	76%	0.758	74%	0.741	S	S	*	*			cis	167.7	159.8	8.4	0	0	0	0	0	110.2
684	S	36.9	Very low	35.7	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	74%	0.735	S	S	*	*			cis	-174.3	171	27.2	-150.8	0	0	0	0	113.7
685	N	34.9	Very low	35.7	Very low	133.333 Å²	133.333	130.7 Å²	130.7	71%	0.713	73%	0.732	S	S	*	*			trans	-107.3	159.6	-171.7	-83.7	-57.3	0	0	0	114
686	H	38.6	Very low	35.7	Very low	164.667 Å²	164.667	131.4 Å²	131.4	76%	0.762	73%	0.731	S	S	*	*				-130.9	145.3	128.6	-101.5	-42.4	0	0	0	114
687	N	36.6	Very low	35.8	Very low	111 Å²	111	131.8 Å²	131.8	59%	0.594	74%	0.735	S	S	*	*				-165.4	152.7	85	-86.9	-30.2	0	0	0	110.4
688	H	38.7	Very low	35.6	Very low	140.333 Å²	140.333	131.1 Å²	131.1	65%	0.65	74%	0.736	S	S	*	*			cis	-162.1	138.9	31.5	-109.4	-16.2	0	0	0	109.4
689	Q	35.3	Very low	35.4	Very low	127.667 Å²	127.667	129.7 Å²	129.7	60%	0.597	73%	0.734	S	S	*	*				58.9	131.9	111.3	-64.7	-168.6	49.2	0	0	118.3
690	K	35.2	Very low	35.2	Very low	165.667 Å²	165.667	130.7 Å²	130.7	72%	0.72	74%	0.735	S	S	*	*			cis	169.3	147.5	42.8	-109.6	175.7	-176.1	160.7	0	115.7
691	T	37.5	Very low	35.1	Very low	107 Å²	107	130.7 Å²	130.7	66%	0.656	73%	0.729	S	S	*	*				1.3	132.8	118	40.2	0	0	0	0	116
692	N	32.4	Very low	35.1	Very low	137.333 Å²	137.333	137.8 Å²	137.8	73%	0.734	74%	0.738	S	S	*	*				64.6	132.1	96.2	-89	5.1	0	0	0	116.2
693	L	35.2	Very low	35	Very low	141.667 Å²	141.667	137.5 Å²	137.5	74%	0.742	73%	0.729	S	S	*	*			cis	-166.9	139	45	-98.9	158.1	0	0	0	111.7
694	L	32.1	Very low	34.9	Very low	149 Å²	149	139 Å²	139	78%	0.78	73%	0.725	S	S	*	*				51.8	135.9	124.4	-119	70.1	0	0	0	118.9
695	S	32.6	Very low	35	Very low	96.3333 Å²	96.3333	139.4 Å²	139.4	67%	0.674	72%	0.722	S	S	*	*			cis	-171.4	151.4	10.3	19.3	0	0	0	0	112.8
696	H	33.8	Very low	35	Very low	183.333 Å²	183.333	139.5 Å²	139.5	85%	0.849	72%	0.723	S	S	*	*			trans	-19.4	173.3	159.6	-59.7	-67	0	0	0	117.5
697	P	36.1	Very low	34.7	Very low	113 Å²	113	139.5 Å²	139.5	73%	0.734	72%	0.723	S	S	*	*			cis	-115.3	-162	-24.2	38.1	-21.4	0	0	0	113.3
698	L	32.5	Very low	34.7	Very low	153.333 Å²	153.333	140.2 Å²	140.2	80%	0.803	73%	0.731	S	S	*	*			trans	-55.9	158	164.4	-61.5	162	0	0	0	110.6
699	T	32.4	Very low	34.5	Very low	115 Å²	115	141.7 Å²	141.7	71%	0.706	74%	0.735	S	S	*	*			cis	167.5	156.2	20.3	37.4	0	0	0	0	113
700	D	31.1	Very low	34.4	Very low	137.333 Å²	137.333	142.5 Å²	142.5	73%	0.734	74%	0.744	S	S	*	*			trans	74.3	158.1	145.3	-79.5	-22.2	0	0	0	116
701	V	35.1	Very low	34.4	Very low	119.667 Å²	119.667	138.7 Å²	138.7	73%	0.725	74%	0.739	S	S	*	*				160.4	152.4	104	148.6	0	0	0	0	113.1
702	Y	36.6	Very low	34.2	Very low	212 Å²	212	138.1 Å²	138.1	83%	0.831	74%	0.739	S	S	*	*			trans	15	149.5	169.9	-82.3	-87.7	0	0	0	116.8
703	K	34.8	Very low	34.2	Very low	173.667 Å²	173.667	138.1 Å²	138.1	76%	0.755	74%	0.739	S	S	*	*				121.5	147.8	51.4	-118.5	-174.1	170.7	-125.1	0	115.2
704	D	34.7	Very low	34	Very low	123.333 Å²	123.333	138.4 Å²	138.4	66%	0.66	74%	0.74	S	S	*	*			trans	97.7	165.6	163.2	-74.4	-21.3	0	0	0	116
705	V	39.4	Very low	34	Very low	122.333 Å²	122.333	139.9 Å²	139.9	74%	0.741	74%	0.74	S	S	*	*			trans	120.1	112.5	150.1	169.5	0	0	0	0	117.2
706	N	34.3	Very low	34.2	Very low	136.667 Å²	136.667	142.1 Å²	142.1	73%	0.731	74%	0.743	S	S	*	*			trans	49.5	136.5	135.7	-62.5	8.5	0	0	0	123.2
707	E	31.7	Very low	34.1	Very low	163.667 Å²	163.667	140 Å²	140	77%	0.765	73%	0.734	S	S	*	*				53.4	141.3	107.8	-110.6	175.6	119.8	0	0	116.5
708	V	37.1	Very low	34	Very low	126.667 Å²	126.667	141.7 Å²	141.7	77%	0.768	73%	0.73	S	S	*	*				-158.8	157	93.6	134.3	0	0	0	0	109.3
709	K	34.5	Very low	34.1	Very low	170 Å²	170	143.1 Å²	143.1	74%	0.739	73%	0.732	S	S	*	*			trans	-125.5	142.1	-179.4	-93.9	164.7	-173.2	165	0	111.8
710	N	32.8	Very low	34.2	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	73%	0.731	S	S	*	*				102.9	156.5	93.7	-75.9	-18.6	0	0	0	110.6
711	S	35.3	Very low	34.3	Very low	87.3333 Å²	87.3333	144.2 Å²	144.2	61%	0.611	74%	0.736	S	S	*	*			cis	-161.7	159.6	22.6	-24.5	0	0	0	0	113.9	R1199	S711-R1199 PolarHBondContact O-NH2 3.36Å; S711-R1199 WeakPolarHBondContact OG-CD 3.48Å; S711-R1199 PolarHBondContact OG-NE 2.69Å; S711-R1199 PolarHBondContact OG-NH1 2.89Å; S711-R1199 VanDerWaalsContact OG-NH1 3.1Å; S711-R1199 PolarHBondContact OG-NH2 2.97Å
712	S	33.8	Very low	34.3	Very low	93.6667 Å²	93.6667	144.1 Å²	144.1	66%	0.655	74%	0.735	S	S	*	*			trans	-33.1	166.1	164.2	52.4	0	0	0	0	117.9	R1199	S712-R1199 PolarHBondContact O-NH1 3.08Å
713	N	31.9	Very low	34.3	Very low	137.667 Å²	137.667	140.8 Å²	140.8	74%	0.736	73%	0.731	S	S	*	*			cis	176.9	152.6	42.2	-78.8	-11.8	0	0	0	112.6	F715	N713-F715 HydrophobicContact CB-CB 4.31Å
714	L	32.4	Very low	34.2	Very low	147 Å²	147	137.5 Å²	137.5	77%	0.77	73%	0.729	S	S	*	*			cis	168.2	114.8	-17.4	-137.8	155.4	0	0	0	111	I716	L714-I716 HydrophobicContact CD2-CD1 4.23Å
715	F	31.6	Very low	34.1	Very low	180 Å²	180	140.5 Å²	140.5	79%	0.789	73%	0.732	S	S	*	*			trans	175.5	126.3	139.6	-117.7	-85.4	0	0	0	113.3	N713 E717	N713-F715 HydrophobicContact CB-CB 4.31Å; F715-E717 HydrophobicContact CD1-CB 4.29Å; F715-E717 HydrophobicContact CE1-CB 3.87Å
716	I	35.7	Very low	33.8	Very low	142.667 Å²	142.667	141.4 Å²	141.4	73%	0.732	73%	0.727	S	S	*	*			trans	178.9	122.5	132.5	-70.4	159.6	0	0	0	106.9	L714	L714-I716 HydrophobicContact CD2-CD1 4.23Å
717	E	33.1	Very low	33.7	Very low	139.667 Å²	139.667	140 Å²	140	65%	0.653	73%	0.727	S	S	*	*			cis	168.3	170.4	45.2	-134.1	-174.4	138.1	0	0	112.4	F715	F715-E717 HydrophobicContact CD1-CB 4.29Å; F715-E717 HydrophobicContact CE1-CB 3.87Å
718	K	33.7	Very low	33.8	Very low	150 Å²	150	137 Å²	137	65%	0.652	72%	0.724	S	S	*	*			trans	-141.1	154.5	167.9	-89.1	149	-179	125.8	0	115.3
719	Q	34.6	Very low	33.6	Very low	181.667 Å²	181.667	137.4 Å²	137.4	85%	0.849	72%	0.722	S	S	*	*			trans	72	159	145.1	-68.6	177.9	-8.3	0	0	115.2
720	S	34.6	Very low	33.6	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	73%	0.726	S	S	*	*				-149.8	149.8	-87.3	20.3	0	0	0	0	110.1
721	E	33.9	Very low	33.8	Very low	179.333 Å²	179.333	141.9 Å²	141.9	84%	0.838	73%	0.729	S	S	*	*			trans	64	139.1	146	-83.4	-177.9	174.5	0	0	114.7
722	T	34.6	Very low	33.6	Very low	116.667 Å²	116.667	143 Å²	143	72%	0.716	74%	0.736	S	S	*	*			cis	-159	155.3	36.2	-8.9	0	0	0	0	110.8
723	I	35.8	Very low	33.7	Very low	143.333 Å²	143.333	143.9 Å²	143.9	74%	0.735	74%	0.743	S	S	*	*			trans	64	133.9	152.6	-63	161.7	0	0	0	118.4
724	S	32.1	Very low	33.6	Very low	103.333 Å²	103.333	148.4 Å²	148.4	72%	0.723	75%	0.749	S	S	*	*			cis	-142.4	160.4	-23.7	-117.7	0	0	0	0	111.8
725	R	34.1	Very low	33.7	Very low	187.667 Å²	187.667	148.3 Å²	148.3	71%	0.708	75%	0.749	S	S	*	*			trans	-69.1	149.6	162.1	-71.2	171	-172.4	175.5	6.9	114
726	E	33	Very low	33.8	Very low	140 Å²	140	149 Å²	149	65%	0.654	75%	0.752	S	S	*	*			cis	166.9	141.2	47.4	-145.4	168.6	138.2	0	0	116.9
727	C	31.2	Very low	33.5	Very low	107.667 Å²	107.667	147 Å²	147	73%	0.727	75%	0.751	S	S	*	*			trans	52.2	141.1	147.1	-69.4	0	0	0	0	121.9
728	S	34.3	Very low	33.5	Very low	100.667 Å²	100.667	146.3 Å²	146.3	70%	0.704	76%	0.756	S	S	*	*			cis	-130.1	149.3	20.7	-71.6	0	0	0	0	113.3
729	N	33	Very low	33.3	Very low	134.333 Å²	134.333	146 Å²	146	72%	0.718	76%	0.762	S	S	*	*				77.1	126.5	127.6	-91	-50.1	0	0	0	116.5
730	R	34.6	Very low	33.3	Very low	216.667 Å²	216.667	146.3 Å²	146.3	82%	0.818	76%	0.763	S	S	*	*				93.6	136.2	79.6	-70.4	170.1	179.3	-171.7	1.7	115.6
731	K	36.2	Very low	33.1	Very low	194 Å²	194	146.1 Å²	146.1	84%	0.843	76%	0.762	S	S	*	*			trans	162.3	146.3	130.1	-91	170.7	-178.9	-176.3	0	111.7
732	S	31.7	Very low	33	Very low	109.667 Å²	109.667	144.6 Å²	144.6	77%	0.767	76%	0.759	S	S	*	*				45.4	137	55.2	-173.8	0	0	0	0	111.3
733	S	34.9	Very low	33	Very low	112.667 Å²	112.667	145.9 Å²	145.9	79%	0.788	76%	0.757	S	S	*	*			trans	169.1	139.6	138.6	46.4	0	0	0	0	112.4
734	R	31	Very low	32.9	Very low	231.667 Å²	231.667	145.7 Å²	145.7	87%	0.874	76%	0.757	S	S	*	*			cis	-163.5	149.9	17.6	177.3	-172.2	-169.9	-177.7	5.1	110
735	L	34.3	Very low	33	Very low	146.333 Å²	146.333	145.4 Å²	145.4	77%	0.766	76%	0.755	S	S	*	*			trans	160	132.5	166.6	-70.9	166.6	0	0	0	112.2
736	K	33.2	Very low	33	Very low	193 Å²	193	142.4 Å²	142.4	84%	0.839	75%	0.753	S	S	*	*				73.2	136.6	117.5	-81.7	-177.9	-175.7	-175.2	0	115.3
737	S	29.9	Very low	33.2	Very low	102.333 Å²	102.333	146 Å²	146	72%	0.716	76%	0.76	S	S	*	*			cis	-147	178.6	-4.7	45	0	0	0	0	110
738	T	32.6	Very low	33.3	Very low	125 Å²	125	145.3 Å²	145.3	77%	0.767	75%	0.753	S	S	*	*				171.9	144.6	129.8	-33	0	0	0	0	112.6
739	N	29.9	Very low	33.4	Very low	144 Å²	144	149.5 Å²	149.5	77%	0.77	76%	0.755	S	S	*	*			trans	-54.3	152.1	168.8	-68.4	-24.1	0	0	0	116.2
740	Q	34.3	Very low	33.6	Very low	187.667 Å²	187.667	149.5 Å²	149.5	88%	0.877	75%	0.75	S	S	*	*				159.8	164.8	123.8	-92.3	168.9	35.3	0	0	113.7
741	S	30.2	Very low	33.7	Very low	93 Å²	93	146 Å²	146	65%	0.65	74%	0.743	S	S	*	*				-138.7	151.9	-129.8	51	0	0	0	0	112.1
742	N	33.2	Very low	33.7	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	74%	0.735	S	S	*	*			trans	151.5	138.3	140.3	-77.2	-22.6	0	0	0	115
743	Q	33	Very low	34	Very low	144.333 Å²	144.333	146.9 Å²	146.9	67%	0.674	73%	0.734	S	S	*	*				-145.2	149	127.6	-64.3	178.6	80	0	0	114.6	D1346 S1347	Q743-D1346 WeakPolarHBondContact CB-O 3.5Å; Q743-D1346 HydrophobicContact CG-CB 4.15Å; Q743-D1346 PolarHBondContact OE1-O 3.05Å; Q743-S1347 VanDerWaalsContact CD-OG 3.24Å; Q743-S1347 PolarHBondContact NE2-OG 3.24Å; Q743-S1347 PolarHBondContact OE1-OG 3.31Å
744	L	34.6	Very low	34	Very low	138.333 Å²	138.333	150.2 Å²	150.2	72%	0.724	73%	0.734	S	S	*	*				96.7	143	129.5	-67.7	165.8	0	0	0	117.2	L1344 S1345 D1346	L744-L1344 CarbonylContact C-O 3.58Å; L744-L1344 WeakPolarHBondContact CA-O 3.24Å; L744-L1344 PolarHBondContact N-O 3.1Å; L744-L1344 VanDerWaalsContact N-O 3.09Å; L744-S1345 WeakPolarHBondContact CA-O 3.48Å; L744-S1345 WeakPolarHBondContact CD2-O 3.28Å; L744-S1345 WeakPolarHBondContact CG-O 3.42Å; L744-S1345 PolarHBondContact N-O 2.86Å; L744-D1346 WeakPolarHBondContact CG-O 3.31Å
745	S	34.9	Very low	34.2	Very low	96.6667 Å²	96.6667	150.1 Å²	150.1	68%	0.676	73%	0.734	S	S	*	*			cis	164	151.5	-25.5	31.1	0	0	0	0	114.1	F1343 L1344	S745-F1343 CarbonylContact C-O 3.6Å; S745-F1343 VanDerWaalsContact C-O 3.24Å; S745-F1343 VanDerWaalsContact CA-O 3.22Å; S745-F1343 WeakPolarHBondContact CA-O 3.21Å; S745-L1344 WeakPolarHBondContact CA-O 3.45Å; S745-L1344 WeakPolarHBondContact CB-O 3.45Å; S745-L1344 PolarHBondContact N-O 2.94Å
746	D	33.5	Very low	34.3	Very low	125 Å²	125	147.5 Å²	147.5	67%	0.668	73%	0.728	S	S	*	*			trans	-126.8	170.7	171.2	-113.3	-23.5	0	0	0	112.8	S1342 F1343	D746-S1342 CarbonylContact C-O 2.98Å; D746-S1342 VanDerWaalsContact C-O 3.24Å; D746-F1343 PolarHBondContact N-O 2.99Å
747	R	37	Very low	34.5	Very low	215.333 Å²	215.333	146.5 Å²	146.5	81%	0.813	73%	0.725	S	S	*	*				-179.4	138.3	100.9	-111.3	165.1	-167.8	-152.3	-1.8	115	H1341 S1342	R747-H1341 CarbonylContact O-C 3.24Å; R747-S1342 PolarHBondContact N-O 3.31Å; R747-S1342 VanDerWaalsContact N-O 3.12Å; R747-S1342 PolarHBondContact O-N 2.87Å
748	T	34	Very low	34.7	Very low	93.6667 Å²	93.6667	148.1 Å²	148.1	58%	0.575	73%	0.726	S	S	*	*			trans	-97.2	144.4	163.2	-49.8	0	0	0	0	114.4	I1340	T748-I1340 CarbonylContact C-O 3.24Å
749	Y	36.2	Very low	34.8	Very low	188.667 Å²	188.667	147.5 Å²	147.5	74%	0.74	73%	0.727	S	S	*	*			trans	157.6	160.3	154.8	-83.9	-71.6	0	0	0	113.5	I1340 H1341	Y749-I1340 PolarHBondContact N-O 2.73Å; Y749-I1340 CarbonylContact O-C 3.54Å; Y749-I1340 VanDerWaalsContact O-C 3.31Å; Y749-H1341 WeakPolarHBondContact O-CA 3.21Å; Y749-H1341 VanDerWaalsContact O-CB 3.31Å; Y749-H1341 WeakPolarHBondContact O-CB 3.41Å; Y749-H1341 PolarHBondContact O-N 2.88Å
750	H	36.1	Very low	34.9	Very low	135.333 Å²	135.333	146.3 Å²	146.3	63%	0.627	73%	0.73	S	S	*	*			trans	-131.4	161.2	-144.5	-102.9	-40.1	0	0	0	111.1	S1339	H750-S1339 WeakPolarHBondContact O-CB 3.13Å; H750-S1339 PolarHBondContact O-OG 2.99Å
751	H	37.3	Very low	35.1	Very low	141.667 Å²	141.667	143 Å²	143	66%	0.656	73%	0.725	S	S	*	*				166.7	151.9	124.4	-107.5	-43.4	0	0	0	111.7	S1339	H751-S1339 PolarHBondContact N-OG 3.35Å
752	R	35.4	Very low	35.1	Very low	183 Å²	183	143.4 Å²	143.4	69%	0.691	73%	0.728	S	S	*	*			cis	161.9	133.8	17.6	-153.1	179.8	-176.2	168.5	-0.6	109	T1337	R752-T1337 VanDerWaalsContact CZ-CB 3.48Å; R752-T1337 PolarHBondContact NH2-OG1 2.69Å
753	L	37.9	Very low	34.9	Very low	141 Å²	141	141.2 Å²	141.2	74%	0.738	72%	0.724	S	S	*	*				-142.6	-168.5	79.4	-75.8	157.2	0	0	0	113.3
754	K	36.1	Very low	34.9	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.787	73%	0.733	S	S	*	*			cis	-134.2	141.3	-20.3	-109.4	170.2	-178.9	-178.1	0	109.7
755	R	34.9	Very low	34.6	Very low	229.667 Å²	229.667	140.8 Å²	140.8	87%	0.867	73%	0.734	S	S	*	*				82.7	130.6	108.2	-65.3	-176.1	-175	-179.6	1.4	114.5
756	S	35.5	Very low	34.3	Very low	91.6667 Å²	91.6667	142.7 Å²	142.7	64%	0.641	74%	0.742	S	S	*	*				89	137.5	91.8	46.2	0	0	0	0	114.4
757	H	39	Very low	34.1	Very low	171.333 Å²	171.333	142.2 Å²	142.2	79%	0.793	75%	0.748	S	S	*	*				95.2	144.3	76.2	-66.4	-78.3	0	0	0	114.8
758	D	33.3	Very low	33.8	Very low	137.333 Å²	137.333	137.3 Å²	137.3	73%	0.734	75%	0.748	S	S	*	*			cis	-132.1	155.2	-3.4	-103.2	-53.6	0	0	0	111.2
759	S	35.5	Very low	33.6	Very low	112.333 Å²	112.333	138.5 Å²	138.5	79%	0.786	76%	0.76	S	S	*	*			trans	153	126	148.1	-71.9	0	0	0	0	115.9
760	S	31.5	Very low	33.4	Very low	117.333 Å²	117.333	134.9 Å²	134.9	82%	0.821	76%	0.762	S	S	*	*			trans	-56.8	157.5	156.3	-49.3	0	0	0	0	114.3
761	P	38	Very low	33.1	Very low	119.333 Å²	119.333	134 Å²	134	78%	0.775	77%	0.771	S	S	*	*				-130.3	171	109.6	37.5	-22.9	0	0	0	114.4
762	S	31.1	Very low	32.7	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	78%	0.775	S	S	*	*			trans	54.8	129.4	157.4	54.6	0	0	0	0	118.5
763	S	29.1	Very low	32.5	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	78%	0.779	S	S	*	*			trans	47.3	110.4	138.1	63.9	0	0	0	0	121.6
764	L	31.5	Very low	32.1	Very low	166.667 Å²	166.667	128.2 Å²	128.2	87%	0.873	78%	0.781	S	S	*	*			trans	-173.9	143.1	130.1	-81.3	172	0	0	0	112.8
765	S	28	Very low	31.9	Very low	107 Å²	107	125.5 Å²	125.5	75%	0.748	78%	0.779	S	S	*	*			trans	61.7	94.9	152.4	-24.8	0	0	0	0	115.4
766	T	29.2	Very low	31.8	Very low	137.667 Å²	137.667	120 Å²	120	85%	0.845	78%	0.776	S	S	*	*			trans	-123	125	153.7	44.1	0	0	0	0	109.7
767	S	29	Very low	31.6	Very low	113.333 Å²	113.333	120 Å²	120	79%	0.793	78%	0.776	S	S	*	*			trans	-101.5	110.6	142.1	62.7	0	0	0	0	112.3
768	S	30.8	Very low	31.1	Very low	114.333 Å²	114.333	119.6 Å²	119.6	80%	0.8	78%	0.78	S	S	*	*			trans	-124	104.2	166.6	25.5	0	0	0	0	109.2	S770	S768-S770 PolarHBondContact O-N 2.95Å
769	S	30.2	Very low	31	Very low	118.667 Å²	118.667	118.2 Å²	118.2	83%	0.83	78%	0.78	S	S	*	*			trans	-56.7	108.5	144.9	26.7	0	0	0	0	111.6	S771	S769-S771 PolarHBondContact O-N 3.23Å
770	S	31.1	Very low	30.8	Very low	111.667 Å²	111.667	119.7 Å²	119.7	78%	0.781	79%	0.785	S	S	*	*			trans	-101.2	121.1	171.1	26.2	0	0	0	0	112.5	S768	S768-S770 PolarHBondContact O-N 2.95Å
771	S	30.7	Very low	30.8	Very low	116.333 Å²	116.333	118.8 Å²	118.8	81%	0.814	78%	0.779	S	S	*	*			trans	-104.1	131.7	172.7	48.5	0	0	0	0	111.6	S769	S769-S771 PolarHBondContact O-N 3.23Å
772	S	29.7	Very low	30.4	Very low	106 Å²	106	118.7 Å²	118.7	74%	0.741	78%	0.781	S	S	*	*			trans	-97.7	137.4	162.2	54.7	0	0	0	0	114.6
773	T	29.5	Very low	30.3	Very low	126 Å²	126	119 Å²	119	77%	0.773	78%	0.783	S	S	*	*			trans	-140.2	124	152.1	41.9	0	0	0	0	112.8
774	S	30.3	Very low	30.3	Very low	111.667 Å²	111.667	119 Å²	119	78%	0.781	78%	0.783	S	S	*	*				-109.1	98.6	110.6	65.9	0	0	0	0	111.7
775	V	31.9	Very low	30.4	Very low	126 Å²	126	118.7 Å²	118.7	76%	0.764	78%	0.781	S	S	*	*			trans	-118.9	120	162.5	-81.9	0	0	0	0	107.9	S777	V775-S777 VanDerWaalsContact C-N 3.33Å; V775-S777 PolarHBondContact O-N 3.28Å
776	S	32.2	Very low	30.4	Very low	112.667 Å²	112.667	119 Å²	119	79%	0.788	78%	0.783	S	S	*	*			trans	-135.9	110	134.4	-61.4	0	0	0	0	109
777	S	31.3	Very low	30.6	Very low	92.3333 Å²	92.3333	117.8 Å²	117.8	65%	0.646	78%	0.78	S	S	*	*				-173.7	141.2	65.2	-70.2	0	0	0	0	108.7	V775	V775-S777 VanDerWaalsContact C-N 3.33Å; V775-S777 PolarHBondContact O-N 3.28Å
778	D	29.5	Very low	30.7	Very low	163.667 Å²	163.667	118.9 Å²	118.9	88%	0.875	78%	0.782	S	S	*	*			trans	66.3	121.3	153.3	-64.5	-39.2	0	0	0	115.8
779	S	31.9	Very low	30.7	Very low	106.333 Å²	106.333	118.4 Å²	118.4	74%	0.744	78%	0.779	S	S	*	*			trans	-135.4	135.2	139.5	-33	0	0	0	0	109.8	S781	S779-S781 PolarHBondContact O-N 2.95Å
780	T	30.7	Very low	30.8	Very low	145.667 Å²	145.667	120.2 Å²	120.2	89%	0.894	78%	0.778	S	S	*	*			trans	-105.8	130.5	164.2	40.4	0	0	0	0	111.1
781	S	30.7	Very low	30.8	Very low	97.3333 Å²	97.3333	119.9 Å²	119.9	68%	0.681	78%	0.775	S	S	*	*			trans	-159	121.9	-176.8	33.5	0	0	0	0	109.2	S779	S779-S781 PolarHBondContact O-N 2.95Å
782	S	29.2	Very low	31	Very low	117.333 Å²	117.333	119.3 Å²	119.3	82%	0.821	77%	0.771	S	S	*	*			trans	26.4	133.5	137	56.3	0	0	0	0	112.9
783	S	30.8	Very low	31.2	Very low	109.333 Å²	109.333	120.1 Å²	120.1	77%	0.765	78%	0.777	S	S	*	*			cis	-150.3	159	16.2	42.2	0	0	0	0	111.1
784	S	29	Very low	31.4	Very low	98.3333 Å²	98.3333	117.2 Å²	117.2	69%	0.688	77%	0.772	S	S	*	*			trans	-93.6	128.1	164.3	56.7	0	0	0	0	114.4
785	I	32.7	Very low	31.7	Very low	161.333 Å²	161.333	117.7 Å²	117.7	83%	0.827	78%	0.775	S	S	*	*			trans	69	139	148	-22.8	139.3	0	0	0	114.6
786	S	29.1	Very low	31.8	Very low	112.667 Å²	112.667	116.7 Å²	116.7	79%	0.788	77%	0.774	S	S	*	*			trans	-144.3	146.4	166.2	-33.9	0	0	0	0	110
787	S	32.2	Very low	31.9	Very low	113.667 Å²	113.667	118.7 Å²	118.7	80%	0.795	77%	0.774	S	S	*	*			trans	-158.8	118.9	163.7	39.7	0	0	0	0	113
788	T	30.4	Very low	31.9	Very low	135.333 Å²	135.333	119.4 Å²	119.4	83%	0.83	78%	0.779	S	S	*	*			trans	-134.3	135.5	152.5	50.4	0	0	0	0	112
789	S	30.8	Very low	32	Very low	104.333 Å²	104.333	115.9 Å²	115.9	73%	0.73	77%	0.773	S	S	*	*			cis	169.9	126.9	8.9	57.1	0	0	0	0	111.9
790	I	33.6	Very low	32	Very low	157 Å²	157	115.9 Å²	115.9	81%	0.805	77%	0.773	S	S	*	*				-157.9	143.1	119.8	9.7	177.1	0	0	0	110
791	S	31.7	Very low	32.1	Very low	105.333 Å²	105.333	113.3 Å²	113.3	74%	0.737	76%	0.76	S	S	*	*				60.3	128.2	127.9	23.1	0	0	0	0	119.1
792	S	33.4	Very low	32.2	Very low	102.667 Å²	102.667	112.7 Å²	112.7	72%	0.718	76%	0.762	S	S	*	*			cis	160.6	146.6	24.6	51	0	0	0	0	115.8
793	S	34.9	Very low	32.3	Very low	123.333 Å²	123.333	111.2 Å²	111.2	86%	0.862	76%	0.756	S	S	*	*			trans	62.7	139.9	153	28.3	0	0	0	0	119.8
794	G	34	Very low	32.4	Very low	65.3333 Å²	65.3333	110.9 Å²	110.9	67%	0.674	75%	0.754	S	S	*	*			cis	164.5	170.7	-6.8	0	0	0	0	0	113.9
795	S	35.8	Very low	32.6	Very low	120.667 Å²	120.667	111.2 Å²	111.2	84%	0.844	76%	0.757	S	S	*	*			trans	67	120.7	165.9	-31.3	0	0	0	0	118
796	S	33.9	Very low	32.5	Very low	106.333 Å²	106.333	112.2 Å²	112.2	74%	0.744	76%	0.755	S	S	*	*				-167.7	142.7	76.9	57.3	0	0	0	0	111.8
797	I	35.1	Very low	32.6	Very low	155.333 Å²	155.333	112 Å²	112	80%	0.797	75%	0.752	S	S	*	*			cis	-155.9	159.6	33.5	18.7	174.7	0	0	0	112.3
798	S	31.4	Very low	32.7	Very low	106 Å²	106	113.3 Å²	113.3	74%	0.741	76%	0.756	S	S	*	*			trans	-4.8	158.4	148.9	21.6	0	0	0	0	121.1
799	A	31.1	Very low	32.9	Very low	90.3333 Å²	90.3333	110.1 Å²	110.1	75%	0.747	75%	0.749	S	S	*	*			cis	154.7	177.2	-2.8	0	0	0	0	0	111.7
800	S	32.1	Very low	33	Very low	106.667 Å²	106.667	110.9 Å²	110.9	75%	0.746	76%	0.755	S	S	*	*			cis	166.5	155.2	14.1	52.5	0	0	0	0	115.7
801	S	32.7	Very low	33.1	Very low	89.75 Å²	89.75	109 Å²	109	63%	0.628	76%	0.755	S	S	*	*			trans	103.3	135.6	148.8	67.3	0	0	0	0	119.1	R836 S837 A838 D1616	S801-R836 VanDerWaalsContact N-CD 3.28Å; S801-R836 VanDerWaalsContact N-CG 3.29Å; S801-R836 PolarHBondContact O-NH1 2.69Å; S801-R836 PolarHBondContact O-NH2 3.45Å; S801-S837 WeakPolarHBondContact CB-OG 2.97Å; S801-S837 VanDerWaalsContact OG-CA 3.23Å; S801-S837 WeakPolarHBondContact OG-CA 3.32Å; S801-S837 WeakPolarHBondContact OG-CB 3.4Å; S801-S837 PolarHBondContact OG-OG 2.8Å; S801-A838 WeakPolarHBondContact OG-CB 3.42Å; S801-D1616 WeakPolarHBondContact CB-O 3.49Å
802	A	31.7	Very low	33.2	Very low	86.25 Å²	86.25	108.2 Å²	108.2	71%	0.713	75%	0.75	S	S	*	*			trans	88.1	141.9	143.8	0	0	0	0	0	121.5	R836	A802-R836 PolarHBondContact O-NH1 3.04Å
803	A	32.8	Very low	33.2	Very low	85.75 Å²	85.75	114.3 Å²	114.3	71%	0.709	76%	0.757	S	S	*	*			trans	59.6	128	138.7	0	0	0	0	0	119.5	L1617	A803-L1617 HydrophobicContact CB-CD1 4.21Å; A803-L1617 VanDerWaalsContact N-CD1 3.28Å
804	S	32	Very low	33.2	Very low	102.25 Å²	102.25	119.8 Å²	119.8	72%	0.715	76%	0.759	S	S	*	*			cis	124.4	137.9	10.3	68.9	0	0	0	0	116
805	S	34	Very low	33.1	Very low	105.75 Å²	105.75	120.8 Å²	120.8	74%	0.74	76%	0.761	S	S	*	*			trans	88.4	131.4	148.3	64.4	0	0	0	0	117.3
806	K	29.9	Very low	33	Very low	181 Å²	181	124.4 Å²	124.4	79%	0.787	76%	0.762	S	S	*	*				128.3	149.1	101.5	-86.1	179.5	-178.9	172.9	0	114.6	H832	K806-H832 WeakPolarHBondContact CE-NE2 3.35Å; K806-H832 PolarHBondContact NZ-CD2 3.12Å; K806-H832 PolarHBondContact NZ-NE2 3.49Å
807	C	31	Very low	33.2	Very low	108.5 Å²	108.5	123.8 Å²	123.8	73%	0.733	76%	0.763	S	S	*	*			trans	92.3	138.3	147.2	-71	0	0	0	0	118.3
808	T	34.6	Very low	33.4	Very low	141.75 Å²	141.75	121.5 Å²	121.5	87%	0.87	76%	0.758	S	S	*	*			trans	73.5	148.1	150.5	57	0	0	0	0	116.7
809	G	33.4	Very low	33.5	Very low	67.5 Å²	67.5	120.2 Å²	120.2	70%	0.696	75%	0.749	S	S	*	*			cis	158.1	153.6	-1.6	0	0	0	0	0	112.3
810	S	34.2	Very low	33.7	Very low	120.75 Å²	120.75	121.5 Å²	121.5	84%	0.844	74%	0.742	S	S	*	*				91.6	128.4	83.6	-55.6	0	0	0	0	115.1
811	S	34.7	Very low	33.8	Very low	117.25 Å²	117.25	124.5 Å²	124.5	82%	0.82	74%	0.742	S	S	*	*				165.2	150	80	-106.3	0	0	0	0	113.7
812	S	33.5	Very low	33.9	Very low	89.75 Å²	89.75	124.8 Å²	124.8	63%	0.628	74%	0.744	S	S	*	*				139.2	127.2	62.8	-174.8	0	0	0	0	115.1
813	R	34.2	Very low	33.9	Very low	230.25 Å²	230.25	126 Å²	126	87%	0.869	74%	0.738	S	S	*	*			trans	85.1	116.9	142.3	-66.6	177	-153	-158.3	0.7	117.4
814	R	34.2	Very low	34.1	Very low	238.75 Å²	238.75	128.6 Å²	128.6	90%	0.901	74%	0.735	S	S	*	*				124.5	133.1	73.5	-136.6	-178.5	-174.8	-150.4	1.9	113.6
815	A	33.7	Very low	34.2	Very low	87.25 Å²	87.25	131.1 Å²	131.1	72%	0.721	73%	0.733	S	S	*	*				55.9	153.4	99.5	0	0	0	0	0	116.1
816	K	32.8	Very low	34.2	Very low	196 Å²	196	129.8 Å²	129.8	85%	0.852	73%	0.725	S	S	*	*				-168.5	153.7	65.4	-117	-174.9	-179.9	-174.5	0	111.2	D1534	K816-D1534 IonicContact NZ-OD1 3.78Å; K816-D1534 PolarHBondContact NZ-OD1 2.76Å; K816-D1534 IonicContact NZ-OD2 3.27Å; K816-D1534 PolarHBondContact NZ-OD2 3.39Å
817	A	37.4	Very low	34.5	Very low	92 Å²	92	130.2 Å²	130.2	76%	0.76	73%	0.726	S	S	*	*			trans	-147	169.5	167.5	0	0	0	0	0	112.8
818	P	39.6	Very low	34.5	Very low	107 Å²	107	130 Å²	130	70%	0.695	73%	0.726	S	S	*	*				-126.7	166	-93.7	36.2	-21	0	0	0	115.5	S1109	P818-S1109 CarbonylContact C-O 3.26Å; P818-S1109 WeakPolarHBondContact CB-O 3.24Å; P818-S1109 VanDerWaalsContact CG-O 3.24Å; P818-S1109 WeakPolarHBondContact CG-O 3.19Å
819	S	33.7	Very low	34.7	Very low	80 Å²	80	130.6 Å²	130.6	56%	0.559	72%	0.722	S	S	*	*			trans	-141	144.1	162.5	47.9	0	0	0	0	114.7	R118 L1108 S1109 S1110	R118-S819 VanDerWaalsContact NH1-C 3.27Å; R118-S819 PolarHBondContact NH1-O 2.91Å; R118-S819 PolarHBondContact NH2-O 2.84Å; S819-L1108 VanDerWaalsContact CB-CG 3.47Å; S819-L1108 WeakPolarHBondContact OG-CG 3.35Å; S819-S1109 VanDerWaalsContact C-C 3.44Å; S819-S1109 CarbonylContact C-O 2.89Å; S819-S1109 PolarHBondContact N-O 2.67Å; S819-S1109 CarbonylContact O-C 3.57Å; S819-S1110 WeakPolarHBondContact O-CB 3.41Å; S819-S1110 PolarHBondContact O-OG 2.92Å
820	I	36.4	Very low	34.8	Very low	116.75 Å²	116.75	134.2 Å²	134.2	60%	0.599	73%	0.726	S	S	*	*			trans	-85.8	152.4	172.2	-84	171.5	0	0	0	116.4	L1108 S1109 S1110	I820-L1108 HydrophobicContact CB-CB 4.02Å; I820-L1108 HydrophobicContact CD1-CB 4.06Å; I820-L1108 HydrophobicContact CG1-CB 3.72Å; I820-L1108 HydrophobicContact CG1-CD2 4.17Å; I820-S1109 VanDerWaalsContact CB-CA 3.49Å; I820-S1110 PolarHBondContact N-OG 2.75Å; I820-S1110 VanDerWaalsContact N-OG 3.14Å
821	K	33.2	Very low	35.4	Very low	171.25 Å²	171.25	133 Å²	133	75%	0.745	72%	0.715	S	S	*	*			trans	130.7	153.6	174.2	-87.4	173.8	-171	-178.9	0	114.5
822	S	34.6	Very low	35.6	Very low	94.75 Å²	94.75	134.8 Å²	134.8	66%	0.663	71%	0.71	S	S	*	*			cis	173.9	157.7	-12	55.3	0	0	0	0	113.4	T120	T120-S822 WeakPolarHBondContact OG1-CA 3.49Å; T120-S822 VanDerWaalsContact OG1-CB 3.3Å; T120-S822 WeakPolarHBondContact OG1-CB 3.33Å
823	N	32.6	Very low	35.9	Very low	111.5 Å²	111.5	135.4 Å²	135.4	60%	0.596	71%	0.706	S	S	*	*				99.8	139.7	90.7	-121.1	10.8	0	0	0	118.6	E121 K122	E121-N823 PolarHBondContact O-OD1 3.32Å; E121-N823 VanDerWaalsContact O-OD1 3.1Å; K122-N823 PolarHBondContact N-OD1 3.49Å
824	H	36.3	Very low	36	Very low	140.75 Å²	140.75	129 Å²	129	65%	0.652	69%	0.689	S	S	*	*			trans	82.8	108.9	154.7	-62	-59.7	0	0	0	122.8	E1402 H1455	H824-E1402 IonicContact ND1-OE1 3.61Å; H824-H1455 AromaticContact CE1-CD2 3.86Å; H824-H1455 AromaticContact CE1-CG 3.58Å; H824-H1455 AromaticContact CE1-ND1 3.92Å; H824-H1455 AromaticContact CG-CD2 3.91Å; H824-H1455 AromaticContact ND1-CD2 3.1Å; H824-H1455 PolarHBondContact ND1-CD2 2.84Å; H824-H1455 AromaticContact ND1-CE1 3.54Å; H824-H1455 AromaticContact ND1-CG 3.21Å; H824-H1455 AromaticContact ND1-ND1 3.43Å; H824-H1455 PolarHBondContact ND1-ND1 2.92Å; H824-H1455 AromaticContact ND1-NE2 3.38Å; H824-H1455 PolarHBondContact ND1-NE2 3.21Å
825	K	34	Very low	36.2	Very low	154.25 Å²	154.25	124.3 Å²	124.3	67%	0.671	68%	0.675	S	S	*	*				66.8	139.8	100.8	-151.2	170.6	-176.5	148.1	0	119.8	E1402 N1454 H1455	K825-E1402 WeakPolarHBondContact CE-OE1 3.38Å; K825-E1402 WeakPolarHBondContact CE-OE2 3.34Å; K825-E1402 IonicContact NZ-OE1 3.17Å; K825-E1402 PolarHBondContact NZ-OE1 3.46Å; K825-E1402 IonicContact NZ-OE2 2.71Å; K825-E1402 PolarHBondContact NZ-OE2 3.46Å; K825-N1454 HydrophobicContact CD-CB 4.44Å; K825-N1454 WeakPolarHBondContact CE-OD1 3.12Å; K825-N1454 PolarHBondContact NZ-OD1 2.77Å; K825-H1455 VanDerWaalsContact CB-NE2 3.34Å; K825-H1455 WeakPolarHBondContact CB-NE2 3.45Å; K825-H1455 WeakPolarHBondContact CD-NE2 3.39Å; K825-H1455 VanDerWaalsContact CG-NE2 3.26Å; K825-H1455 WeakPolarHBondContact CG-NE2 3.29Å; K825-H1455 PolarHBondContact NZ-CD2 2.92Å; K825-H1455 PolarHBondContact NZ-NE2 3.01Å
826	S	34.4	Very low	36.4	Very low	79.75 Å²	79.75	129.4 Å²	129.4	56%	0.558	68%	0.676	S	S	*	*			trans	165	146.5	135.5	-51.5	0	0	0	0	117.9	S1400	S826-S1400 WeakPolarHBondContact CB-O 3.48Å; S826-S1400 PolarHBondContact OG-O 2.84Å; S826-S1400 PolarHBondContact OG-OG 3.16Å
827	K	36.4	Very low	36.5	Very low	188 Å²	188	124.7 Å²	124.7	82%	0.817	67%	0.668	S	S	*	*			trans	121.2	142.2	144.8	-76.2	179.5	178.5	-169.4	0	113.8
828	S	31.6	Very low	36.6	Very low	104.25 Å²	104.25	124.2 Å²	124.2	73%	0.729	66%	0.663	S	S	*	*			cis	125.2	145.9	43.1	-156.8	0	0	0	0	112.5
829	I	38.2	Very low	36.4	Very low	154.75 Å²	154.75	127.1 Å²	127.1	79%	0.794	67%	0.665	S	S	*	*			trans	143.4	138.4	134.4	-71.1	160.4	0	0	0	113.5
830	D	35.6	Very low	36.5	Very low	143.5 Å²	143.5	129.7 Å²	129.7	77%	0.767	67%	0.672	S	S	*	*				-123.7	-161.5	128.9	-94.8	-32.2	0	0	0	112.1
831	P	46.4	Very low	36.4	Very low	95.25 Å²	95.25	128.2 Å²	128.2	62%	0.619	67%	0.672	S	S	*	*				-138.7	-163	-67.5	34.2	-8.5	0	0	0	117
832	H	38.1	Very low	36.5	Very low	154 Å²	154	126.2 Å²	126.2	71%	0.713	67%	0.665	S	S	*	*			trans	88.7	151.9	163.9	-77.8	-72.7	0	0	0	118.1	K806	K806-H832 WeakPolarHBondContact CE-NE2 3.35Å; K806-H832 PolarHBondContact NZ-CD2 3.12Å; K806-H832 PolarHBondContact NZ-NE2 3.49Å
833	D	39.8	Very low	36.4	Very low	102.75 Å²	102.75	130.1 Å²	130.1	55%	0.549	67%	0.666	S	S	.	*			cis	-179	162.3	12	-114.3	10.4	0	0	0	113.1	K835 N1620	D833-K835 WeakPolarHBondContact OD2-CE 3.32Å; D833-K835 IonicContact OD2-NZ 3.29Å; D833-K835 PolarHBondContact OD2-NZ 3.48Å; D833-N1620 PolarHBondContact O-ND2 3.26Å
834	N	37.5	Very low	36.4	Very low	96.5 Å²	96.5	128.9 Å²	128.9	52%	0.516	67%	0.666	S	S	.	*			cis	167.9	155.6	22.1	-139	-17.2	0	0	0	114.7	H1618 K1621	N834-H1618 CarbonylContact C-O 3.56Å; N834-K1621 PolarHBondContact O-NZ 2.75Å
835	K	38.3	Very low	36.2	Very low	140.5 Å²	140.5	127.3 Å²	127.3	61%	0.611	67%	0.67	S	S	*	*			trans	92.2	157.2	154	-72.7	159.7	-170.4	151.2	0	119.6	D833 D1616 L1617 H1618	D833-K835 WeakPolarHBondContact OD2-CE 3.32Å; D833-K835 IonicContact OD2-NZ 3.29Å; D833-K835 PolarHBondContact OD2-NZ 3.48Å; K835-D1616 WeakPolarHBondContact CD-OD1 3.36Å; K835-D1616 IonicContact NZ-OD1 2.74Å; K835-L1617 HydrophobicContact CD-CB 4.22Å; K835-L1617 HydrophobicContact CD-CD2 4.46Å; K835-L1617 HydrophobicContact CD-CG 4.08Å; K835-H1618 VanDerWaalsContact C-CB 3.44Å; K835-H1618 WeakPolarHBondContact O-CB 3.23Å
836	R	36.9	Very low	36.2	Very low	194.5 Å²	194.5	124.9 Å²	124.9	73%	0.734	67%	0.673	S	S	*	*			trans	141.1	151.1	172	-107.6	176.8	171.7	-171.9	-5.2	116.9	S801 A802 D1616 L1617 H1618	S801-R836 VanDerWaalsContact N-CD 3.28Å; S801-R836 VanDerWaalsContact N-CG 3.29Å; S801-R836 PolarHBondContact O-NH1 2.69Å; S801-R836 PolarHBondContact O-NH2 3.45Å; A802-R836 PolarHBondContact O-NH1 3.04Å; R836-D1616 VanDerWaalsContact O-O 3.11Å; R836-L1617 VanDerWaalsContact CD-C 3.49Å; R836-L1617 WeakPolarHBondContact CD-O 3.23Å; R836-L1617 PolarHBondContact NH1-O 3.39Å; R836-L1617 VanDerWaalsContact NH1-O 3.14Å; R836-H1618 HydrophobicContact CB-CB 3.56Å; R836-H1618 HydrophobicContact CG-CB 3.62Å
837	S	35.8	Very low	36.2	Very low	97.25 Å²	97.25	124.9 Å²	124.9	68%	0.68	67%	0.673	S	S	*	*				134.4	139.2	83.2	-69.5	0	0	0	0	115.7	S801	S801-S837 WeakPolarHBondContact CB-OG 2.97Å; S801-S837 VanDerWaalsContact OG-CA 3.23Å; S801-S837 WeakPolarHBondContact OG-CA 3.32Å; S801-S837 WeakPolarHBondContact OG-CB 3.4Å; S801-S837 PolarHBondContact OG-OG 2.8Å
838	A	39.1	Very low	36	Very low	80.25 Å²	80.25	122.7 Å²	122.7	66%	0.663	67%	0.67	S	S	*	*				131.5	159.1	54.3	0	0	0	0	0	113.6	S801	S801-A838 WeakPolarHBondContact OG-CB 3.42Å
839	K	35	Very low	36	Very low	168.25 Å²	168.25	122.7 Å²	122.7	73%	0.732	67%	0.669	S	S	*	*			cis	138.4	158.9	41.1	-130.4	-175.3	174.9	-156.1	0	111.8	E842 S1484 T1485	K839-E842 IonicContact NZ-OE1 2.76Å; K839-E842 PolarHBondContact NZ-OE1 2.75Å; K839-S1484 WeakPolarHBondContact CA-O 2.96Å; K839-T1485 WeakPolarHBondContact CE-O 3.34Å; K839-T1485 PolarHBondContact NZ-O 2.89Å
840	L	37.1	Very low	35.6	Very low	134.25 Å²	134.25	120.1 Å²	120.1	70%	0.703	66%	0.663	S	S	*	*				142.2	158.5	80.2	-68.6	148.7	0	0	0	112.6	E842 C1483 S1484	L840-E842 VanDerWaalsContact CD2-OE2 3.32Å; L840-E842 WeakPolarHBondContact CD2-OE2 3.2Å; L840-C1483 CarbonylContact O-C 3.37Å; L840-S1484 CarbonylContact C-O 3.26Å; L840-S1484 VanDerWaalsContact CA-C 3.47Å; L840-S1484 VanDerWaalsContact CA-O 3.25Å; L840-S1484 WeakPolarHBondContact CA-O 3.48Å; L840-S1484 PolarHBondContact N-O 2.78Å; L840-S1484 CarbonylContact O-C 3.15Å; L840-S1484 WeakPolarHBondContact O-CA 3.24Å; L840-S1484 PolarHBondContact O-N 2.83Å
841	S	34.2	Very low	35.4	Very low	85.75 Å²	85.75	121.5 Å²	121.5	60%	0.6	67%	0.665	S	S	*	*			cis	179	163.4	7.4	51.3	0	0	0	0	112.4
842	E	34.4	Very low	34.7	Very low	129.5 Å²	129.5	124.5 Å²	124.5	61%	0.605	68%	0.675	S	S	*	*				-146.4	166.7	76.7	-92.2	178.5	-176	0	0	116	K839 L840 N1486 D1487	K839-E842 IonicContact NZ-OE1 2.76Å; K839-E842 PolarHBondContact NZ-OE1 2.75Å; L840-E842 VanDerWaalsContact CD2-OE2 3.32Å; L840-E842 WeakPolarHBondContact CD2-OE2 3.2Å; E842-N1486 VanDerWaalsContact CA-N 3.26Å; E842-N1486 PolarHBondContact O-OD1 2.88Å; E842-N1486 WeakPolarHBondContact OE1-CA 3.41Å; E842-N1486 PolarHBondContact OE1-N 2.75Å; E842-D1487 WeakPolarHBondContact CG-O 3.25Å; E842-D1487 PolarHBondContact OE1-N 3.34Å
843	R	33.2	Very low	34.4	Very low	177.5 Å²	177.5	125.4 Å²	125.4	67%	0.67	68%	0.677	S	S	*	*			cis	-171.5	153.3	-32.2	-143	176.9	-175	163.8	-2.8	113.8	N1486 D1487	R843-N1486 VanDerWaalsContact CA-OD1 3.31Å; R843-N1486 WeakPolarHBondContact CA-OD1 3.17Å; R843-N1486 HydrophobicContact CB-CB 4.14Å; R843-N1486 HydrophobicContact CG-CB 3.98Å; R843-N1486 PolarHBondContact N-OD1 3.5Å; R843-N1486 PolarHBondContact NH2-O 3.25Å; R843-D1487 VanDerWaalsContact CB-C 3.45Å; R843-D1487 WeakPolarHBondContact CB-O 3.47Å; R843-D1487 VanDerWaalsContact CZ-CA 3.45Å; R843-D1487 IonicContact CZ-OD1 3.14Å; R843-D1487 PolarHBondContact N-O 2.96Å; R843-D1487 IonicContact NH1-OD1 2.69Å; R843-D1487 PolarHBondContact NH1-OD1 3.36Å; R843-D1487 IonicContact NH2-OD1 2.73Å; R843-D1487 PolarHBondContact NH2-OD1 3.1Å; R843-D1487 IonicContact NH2-OD2 3.2Å; R843-D1487 PolarHBondContact NH2-OD2 2.92Å
844	S	31.9	Very low	34.1	Very low	86 Å²	86	126.6 Å²	126.6	60%	0.601	69%	0.688	S	S	*	*				121.5	145	96	10.5	0	0	0	0	117.7
845	S	32.2	Very low	33.9	Very low	105.5 Å²	105.5	129.2 Å²	129.2	74%	0.738	70%	0.697	S	S	*	*				67.7	145.9	127.5	40.8	0	0	0	0	120
846	S	33.3	Very low	33.7	Very low	105.5 Å²	105.5	131.7 Å²	131.7	74%	0.738	71%	0.708	S	S	*	*			cis	160	152.9	-3	53.8	0	0	0	0	113.6
847	S	34.9	Very low	33.3	Very low	80 Å²	80	127.1 Å²	127.1	56%	0.559	71%	0.705	S	S	*	*				165.9	153.2	57.7	59.8	0	0	0	0	115.3	S1370	S847-S1370 WeakPolarHBondContact O-CB 3.45Å; S847-S1370 PolarHBondContact O-OG 2.96Å
848	N	32.9	Very low	33.2	Very low	141.5 Å²	141.5	130.2 Å²	130.2	76%	0.757	71%	0.713	S	S	*	*			trans	65.6	145.7	151.6	-56.6	-18.5	0	0	0	118.7	S1370	N848-S1370 PolarHBondContact O-OG 3.18Å
849	C	31	Very low	32.8	Very low	103 Å²	103	130.6 Å²	130.6	70%	0.696	71%	0.711	S	S	*	*			cis	164.3	149.8	7.6	-175.7	0	0	0	0	111.5	S1370	C849-S1370 PolarHBondContact N-OG 2.59Å
850	C	30.7	Very low	32.8	Very low	100.75 Å²	100.75	128.8 Å²	128.8	68%	0.681	71%	0.714	S	S	*	*			trans	121.7	136.4	138	-62.6	0	0	0	0	116.8	E1369	C850-E1369 PolarHBondContact N-OE2 3.36Å
851	Q	30.8	Very low	32.7	Very low	172 Å²	172	125.8 Å²	125.8	80%	0.804	72%	0.716	S	S	*	*			trans	98.6	134.1	138.3	-78.5	-153.8	23.8	0	0	115.3
852	L	32.1	Very low	32.6	Very low	158.75 Å²	158.75	129.9 Å²	129.9	83%	0.831	72%	0.723	S	S	*	*				-154.8	146.4	119.1	-97.3	145.4	0	0	0	113.2
853	K	30.4	Very low	32.8	Very low	173 Å²	173	129 Å²	129	75%	0.752	73%	0.728	S	S	*	*			trans	-162.6	145	148.2	-111.7	173.8	-179	177.2	0	111.7	H855	K853-H855 WeakPolarHBondContact CE-NE2 3.44Å
854	V	34.8	Very low	33.1	Very low	129.25 Å²	129.25	128.7 Å²	128.7	78%	0.783	73%	0.732	S	S	*	*				-168.8	136	122	164.2	0	0	0	0	110.4
855	H	32.3	Very low	33.3	Very low	149.5 Å²	149.5	131.2 Å²	131.2	69%	0.692	73%	0.734	S	S	*	*			trans	-23.5	151.7	152.6	-60.1	-98.4	0	0	0	116.2	K853	K853-H855 WeakPolarHBondContact CE-NE2 3.44Å
856	K	33.8	Very low	33.4	Very low	193.5 Å²	193.5	132.3 Å²	132.3	84%	0.841	73%	0.732	S	S	*	*				-165	154.8	65	-110.6	166.3	-178.7	-178.9	0	109.5
857	S	30	Very low	33.4	Very low	97.25 Å²	97.25	136.2 Å²	136.2	68%	0.68	74%	0.735	S	S	*	*			trans	99	151.4	155.5	62.9	0	0	0	0	117.2
858	L	33.1	Very low	33.3	Very low	163.5 Å²	163.5	137.5 Å²	137.5	86%	0.856	74%	0.744	S	S	*	*			trans	-172.8	156.2	141.4	-118.7	68.2	0	0	0	110.5
859	S	30.8	Very low	33.2	Very low	87.75 Å²	87.75	135 Å²	135	61%	0.614	74%	0.737	S	S	*	*				90.9	130.7	85.9	146.9	0	0	0	0	116.3
860	T	35.1	Very low	33.3	Very low	131 Å²	131	139.6 Å²	139.6	80%	0.804	74%	0.74	S	S	*	*				130.2	160.9	105.4	64.6	0	0	0	0	113.3	K862	T860-K862 HydrophobicContact CG2-CD 4.29Å
861	G	35.5	Very low	33.3	Very low	71.75 Å²	71.75	142.6 Å²	142.6	74%	0.74	74%	0.741	S	S	*	*				152.9	95.7	-83.2	0	0	0	0	0	116.2
862	K	32.5	Very low	33.4	Very low	171.75 Å²	171.75	139 Å²	139	75%	0.747	73%	0.731	S	S	*	*				145	151.3	117.6	-88.4	-175.2	-178.6	-161.4	0	114	T860	T860-K862 HydrophobicContact CG2-CD 4.29Å
863	P	37.8	Very low	33.4	Very low	109.25 Å²	109.25	137.2 Å²	137.2	71%	0.709	72%	0.722	S	S	*	*			trans	-111.5	179.1	-153.6	30.6	-16.5	0	0	0	115.1
864	K	38.5	Very low	33.6	Very low	172.25 Å²	172.25	133.3 Å²	133.3	75%	0.749	72%	0.717	S	S	*	*			trans	-175.2	144.6	164.8	-103.3	173.6	171.2	-118.6	0	115.5
865	E	36	Very low	33.5	Very low	138.5 Å²	138.5	131.3 Å²	131.3	65%	0.647	71%	0.709	S	S	*	*				-14.6	150.6	123.3	-79.6	161.3	172.9	0	0	118.2
866	N	34.4	Very low	33.7	Very low	127.5 Å²	127.5	131.8 Å²	131.8	68%	0.682	71%	0.711	S	S	*	*				-170.7	145.3	122.9	-88.9	-46.8	0	0	0	116.5
867	K	35.1	Very low	33.7	Very low	188.75 Å²	188.75	127.2 Å²	127.2	82%	0.821	70%	0.703	S	S	*	*			trans	29.9	142.7	146.2	-64.4	166.3	-173.8	174.8	0	116.7
868	S	32.3	Very low	33.9	Very low	106.25 Å²	106.25	127.2 Å²	127.2	74%	0.743	70%	0.703	S	S	*	*				105.5	130	110.3	-147.8	0	0	0	0	116.3
869	C	30.3	Very low	34	Very low	89.25 Å²	89.25	124.9 Å²	124.9	60%	0.603	70%	0.696	S	S	*	*				150.1	157	116.8	-73.5	0	0	0	0	118.2	Q881	C869-Q881 VanDerWaalsContact C-NE2 3.32Å; C869-Q881 PolarHBondContact O-NE2 3.18Å; C869-Q881 VanDerWaalsContact O-NE2 3.15Å
870	R	32.8	Very low	34.2	Very low	200.75 Å²	200.75	126.2 Å²	126.2	76%	0.758	70%	0.7	S	S	*	*			trans	43.7	140.3	168	-74	172.4	-179.4	-174.4	4.3	116.2	Q881	R870-Q881 HydrophobicContact CB-CG 4.33Å; R870-Q881 VanDerWaalsContact O-CD 3.3Å; R870-Q881 WeakPolarHBondContact O-CG 3.18Å; R870-Q881 PolarHBondContact O-NE2 2.83Å
871	K	31.3	Very low	34.2	Very low	163 Å²	163	127.5 Å²	127.5	71%	0.709	70%	0.697	S	S	*	*			cis	-175.6	153.2	40.3	-118.3	-170.6	-178.9	-169.7	0	109.7
872	T	33.2	Very low	34.1	Very low	97 Å²	97	128.1 Å²	128.1	60%	0.595	69%	0.69	S	S	*	*			trans	79.9	145.4	158	59.7	0	0	0	0	113.9
873	D	32.2	Very low	34.2	Very low	119.75 Å²	119.75	124.5 Å²	124.5	64%	0.64	69%	0.687	S	S	*	*				146.9	155.2	95.7	-60.7	-73.8	0	0	0	112.9	H876 S877 S878	D873-H876 WeakPolarHBondContact CB-ND1 3.17Å; D873-H876 PolarHBondContact O-CE1 2.91Å; D873-H876 IonicContact OD1-ND1 2.67Å; D873-S877 WeakPolarHBondContact OD1-CA 3.02Å; D873-S878 PolarHBondContact OD1-N 3.07Å
874	S	33.5	Very low	34	Very low	92.25 Å²	92.25	128.3 Å²	128.3	65%	0.645	69%	0.692	S	S	*	*			trans	-179.2	145	177.3	58.9	0	0	0	0	112
875	S	34	Very low	33.7	Very low	87.25 Å²	87.25	125.1 Å²	125.1	61%	0.61	69%	0.692	S	S	*	*			cis	179.3	165.5	0.5	29.1	0	0	0	0	111.7
876	H	36.7	Very low	33.7	Very low	160.5 Å²	160.5	122.6 Å²	122.6	74%	0.743	69%	0.694	S	S	*	*			trans	95.1	143.6	163.6	-61.2	-59.6	0	0	0	115.8	D873	D873-H876 WeakPolarHBondContact CB-ND1 3.17Å; D873-H876 PolarHBondContact O-CE1 2.91Å; D873-H876 IonicContact OD1-ND1 2.67Å
877	S	32.5	Very low	33.7	Very low	95 Å²	95	123.8 Å²	123.8	66%	0.664	70%	0.7	S	S	*	*			cis	165.8	145.6	5.5	83.2	0	0	0	0	112.4	D873	D873-S877 WeakPolarHBondContact OD1-CA 3.02Å
878	S	35	Very low	33.6	Very low	98.25 Å²	98.25	119.3 Å²	119.3	69%	0.687	69%	0.693	S	S	*	*			trans	125.5	147.6	131.1	40.5	0	0	0	0	115.2	D873	D873-S878 PolarHBondContact OD1-N 3.07Å
879	T	34.7	Very low	33.7	Very low	114.75 Å²	114.75	124.5 Å²	124.5	70%	0.704	70%	0.698	S	S	*	*			cis	-175	145.4	-13.5	-40.4	0	0	0	0	108.9
880	T	34.2	Very low	33.8	Very low	114.5 Å²	114.5	125.3 Å²	125.3	70%	0.702	70%	0.704	S	S	*	*			trans	71.5	174.8	150.5	35.4	0	0	0	0	118.7
881	Q	35.3	Very low	33.8	Very low	159 Å²	159	119.7 Å²	119.7	74%	0.743	70%	0.696	S	S	*	*			cis	-173.1	-173.5	-12	-115.3	-164.6	36.7	0	0	111.9	C869 R870	C869-Q881 VanDerWaalsContact C-NE2 3.32Å; C869-Q881 PolarHBondContact O-NE2 3.18Å; C869-Q881 VanDerWaalsContact O-NE2 3.15Å; R870-Q881 HydrophobicContact CB-CG 4.33Å; R870-Q881 VanDerWaalsContact O-CD 3.3Å; R870-Q881 WeakPolarHBondContact O-CG 3.18Å; R870-Q881 PolarHBondContact O-NE2 2.83Å
882	S	33.3	Very low	33.8	Very low	85 Å²	85	121.2 Å²	121.2	59%	0.594	70%	0.698	S	S	*	*				-134.5	172	-96	59.4	0	0	0	0	115.1
883	S	34.5	Very low	33.9	Very low	95.5 Å²	95.5	122.8 Å²	122.8	67%	0.668	70%	0.702	S	S	*	*			trans	173.6	166.1	145.6	62.1	0	0	0	0	114.3
884	K	34.5	Very low	34	Very low	189.25 Å²	189.25	121.5 Å²	121.5	82%	0.823	70%	0.699	S	S	*	*			trans	95.2	149.2	145	-65	177.9	179.6	179.6	0	116.9
885	S	32.3	Very low	34	Very low	106 Å²	106	123 Å²	123	74%	0.741	70%	0.699	S	S	*	*				-152.5	145.9	56.4	52.6	0	0	0	0	115.4
886	A	35.4	Very low	34.3	Very low	85 Å²	85	124.5 Å²	124.5	70%	0.702	71%	0.705	S	S	*	*			trans	129.6	160	130.7	0	0	0	0	0	114.6
887	D	33.8	Very low	34.5	Very low	152 Å²	152	121.7 Å²	121.7	81%	0.813	70%	0.701	S	S	*	*			cis	176	159.3	-31.9	-84.4	-38.6	0	0	0	113.1
888	S	34.2	Very low	34.7	Very low	95.75 Å²	95.75	122.3 Å²	122.3	67%	0.67	71%	0.705	S	S	*	*			trans	110.5	145.9	142.5	-75.1	0	0	0	0	117.8
889	Y	34.8	Very low	34.7	Very low	214.75 Å²	214.75	124.7 Å²	124.7	84%	0.842	71%	0.71	S	S	*	*				131.7	122.3	121.2	-86.8	-70.5	0	0	0	120.5
890	S	32.3	Very low	34.7	Very low	105.5 Å²	105.5	124.2 Å²	124.2	74%	0.738	71%	0.712	S	S	*	*			trans	53.6	153.5	141.5	48.6	0	0	0	0	122
891	S	32.2	Very low	34.7	Very low	84.5 Å²	84.5	123.7 Å²	123.7	59%	0.591	71%	0.713	S	S	*	*			cis	167.2	158	5	84.4	0	0	0	0	115.5
892	W	32.2	Very low	34.5	Very low	194.5 Å²	194.5	125.6 Å²	125.6	74%	0.737	72%	0.719	S	S	*	*			trans	88	158.5	146.6	-53.9	107.2	0	0	0	118.9
893	L	35	Very low	34.6	Very low	129 Å²	129	127.3 Å²	127.3	68%	0.675	73%	0.725	S	S	*	*			cis	129	163.3	26.3	-98.8	152.6	0	0	0	116
894	T	34.5	Very low	34.6	Very low	94 Å²	94	131.2 Å²	131.2	58%	0.577	73%	0.733	S	S	*	*				140.6	168.9	112.4	53.3	0	0	0	0	114.3	Q342 S343	Q342-T894 PolarHBondContact NE2-OG1 3.48Å; S343-T894 WeakPolarHBondContact O-CG2 3.48Å
895	D	33.1	Very low	34.6	Very low	122 Å²	122	130.1 Å²	130.1	65%	0.652	73%	0.731	S	S	*	*			cis	173.6	153.1	18.2	-86.4	-28	0	0	0	113.6	T341 Q342 S343	T341-D895 WeakPolarHBondContact CB-OD1 3.28Å; T341-D895 HydrophobicContact CG2-CB 4.04Å; T341-D895 VanDerWaalsContact CG2-CG 3.43Å; T341-D895 WeakPolarHBondContact CG2-OD1 3.11Å; Q342-D895 WeakPolarHBondContact CA-OD1 3.42Å; Q342-D895 PolarHBondContact NE2-OD1 2.79Å; S343-D895 VanDerWaalsContact CB-CA 3.41Å
896	T	39.3	Very low	34.8	Very low	120 Å²	120	130.3 Å²	130.3	74%	0.736	73%	0.729	S	S	*	*			trans	-158	-166.7	151.2	43.6	0	0	0	0	113.2	T341 Q342	T341-T896 VanDerWaalsContact CA-O 3.31Å; T341-T896 WeakPolarHBondContact CA-O 3.34Å; T341-T896 PolarHBondContact N-O 2.81Å; Q342-T896 WeakPolarHBondContact O-CA 3.19Å; Q342-T896 WeakPolarHBondContact O-CB 3.48Å; Q342-T896 PolarHBondContact O-N 2.78Å; Q342-T896 PolarHBondContact O-OG1 3.25Å
897	P	41	Very low	34.7	Very low	101.5 Å²	101.5	134.3 Å²	134.3	66%	0.659	74%	0.738	S	S	*	*				-130	-159	-72.6	39.7	-22.8	0	0	0	116.6	T341	T341-P897 VanDerWaalsContact O-CB 3.3Å; T341-P897 WeakPolarHBondContact O-CB 3.43Å; T341-P897 WeakPolarHBondContact O-CG 3.39Å
898	S	36.8	Very low	34.6	Very low	108.5 Å²	108.5	137.6 Å²	137.6	76%	0.759	74%	0.739	S	S	*	*			trans	-161.8	151.2	164.5	-71.1	0	0	0	0	113.3
899	D	35.6	Very low	34.5	Very low	147.25 Å²	147.25	139 Å²	139	79%	0.787	74%	0.744	S	S	*	*			trans	-4.6	139.5	167.8	-59.3	-51.9	0	0	0	117.9
900	S	35.4	Very low	34.3	Very low	104.75 Å²	104.75	136.5 Å²	136.5	73%	0.733	74%	0.742	S	S	*	*				169.6	149.3	57.7	62.9	0	0	0	0	117.2
901	S	32.7	Very low	34.4	Very low	103.75 Å²	103.75	137.1 Å²	137.1	73%	0.726	74%	0.741	S	S	*	*			trans	64.9	118.5	154.5	71.7	0	0	0	0	121.5	V903	S901-V903 PolarHBondContact O-N 2.8Å
902	F	32.5	Very low	34.4	Very low	199 Å²	199	138.8 Å²	138.8	87%	0.873	75%	0.747	S	S	*	*			trans	-30	115	150.7	-95	-89.2	0	0	0	117.3	Q904	F902-Q904 VanDerWaalsContact C-N 3.3Å; F902-Q904 PolarHBondContact O-N 3.19Å
903	V	35.1	Very low	34.2	Very low	119.75 Å²	119.75	136.4 Å²	136.4	73%	0.726	75%	0.749	S	S	*	*			trans	-126.3	129.1	147.5	172	0	0	0	0	114.1	S901 Q905	S901-V903 PolarHBondContact O-N 2.8Å; V903-Q905 VanDerWaalsContact C-N 3.28Å; V903-Q905 HydrophobicContact CG1-CG 4.12Å; V903-Q905 PolarHBondContact O-N 3Å
904	Q	34	Very low	34.1	Very low	178 Å²	178	134.9 Å²	134.9	83%	0.832	75%	0.749	S	S	*	*			trans	21.3	105.6	162.1	-136.5	177.6	25.3	0	0	117.2	F902	F902-Q904 VanDerWaalsContact C-N 3.3Å; F902-Q904 PolarHBondContact O-N 3.19Å
905	Q	35.4	Very low	34	Very low	167.25 Å²	167.25	135.5 Å²	135.5	78%	0.782	76%	0.757	S	S	*	*			trans	-140.5	144.5	148.2	-75.3	-151.4	11.8	0	0	111.9	V903 L907	V903-Q905 VanDerWaalsContact C-N 3.28Å; V903-Q905 HydrophobicContact CG1-CG 4.12Å; V903-Q905 PolarHBondContact O-N 3Å; Q905-L907 PolarHBondContact O-N 3.47Å
906	P	36	Very low	34	Very low	109 Å²	109	135.9 Å²	135.9	71%	0.708	76%	0.764	S	S	*	*			trans	-82.2	143	176.7	32.9	-34	0	0	0	112.4	R908	P906-R908 VanDerWaalsContact C-N 3.32Å; P906-R908 PolarHBondContact O-N 2.94Å; P906-R908 VanDerWaalsContact O-N 3.09Å
907	L	31.9	Very low	33.9	Very low	169.25 Å²	169.25	137.6 Å²	137.6	89%	0.886	77%	0.768	S	S	*	*			trans	-44.8	98.1	171.2	-81.7	166.1	0	0	0	114.3	Q905 V909	Q905-L907 PolarHBondContact O-N 3.47Å; L907-V909 PolarHBondContact O-N 2.84Å
908	R	33	Very low	33.6	Very low	222.25 Å²	222.25	137.8 Å²	137.8	84%	0.839	77%	0.771	S	S	*	*			trans	-90.5	113.3	155.1	-101.2	-176.9	-171.5	147.4	2.2	108.2	P906 M910	P906-R908 VanDerWaalsContact C-N 3.32Å; P906-R908 PolarHBondContact O-N 2.94Å; P906-R908 VanDerWaalsContact O-N 3.09Å; R908-M910 VanDerWaalsContact C-N 3.28Å; R908-M910 HydrophobicContact CG-CG 3.89Å; R908-M910 PolarHBondContact O-N 3.25Å
909	V	32.4	Very low	33.7	Very low	125 Å²	125	138.5 Å²	138.5	76%	0.758	77%	0.773	S	S	*	*			trans	-67.3	101.1	150.6	178.7	0	0	0	0	109.2	L907 T911	L907-V909 PolarHBondContact O-N 2.84Å; V909-T911 PolarHBondContact O-N 2.8Å
910	M	30.3	Very low	33.8	Very low	162.5 Å²	162.5	138.3 Å²	138.3	80%	0.8	77%	0.771	S	S	*	*			trans	-59.1	109.9	165.9	-71.7	-175.1	73.6	0	0	111.9	R908 V912	R908-M910 VanDerWaalsContact C-N 3.28Å; R908-M910 HydrophobicContact CG-CG 3.89Å; R908-M910 PolarHBondContact O-N 3.25Å; M910-V912 PolarHBondContact O-N 3.22Å
911	T	33.6	Very low	33.7	Very low	118.25 Å²	118.25	144.6 Å²	144.6	73%	0.725	78%	0.778	S	S	*	*			trans	-49.6	133.1	157.1	-39.8	0	0	0	0	111.5	V909 N913	V909-T911 PolarHBondContact O-N 2.8Å; T911-N913 PolarHBondContact O-N 3.17Å
912	V	31.8	Very low	33.7	Very low	118.5 Å²	118.5	144.4 Å²	144.4	72%	0.718	78%	0.777	S	S	*	*			trans	-93.1	131.9	166.6	-153.5	0	0	0	0	109.3	M910 S914	M910-V912 PolarHBondContact O-N 3.22Å; V912-S914 PolarHBondContact O-N 3.43Å
913	N	29.9	Very low	33.8	Very low	144.75 Å²	144.75	140.7 Å²	140.7	77%	0.774	78%	0.776	S	S	*	*			trans	-97.1	110.5	154.2	-89.6	-8.8	0	0	0	111.6	T911 S915	T911-N913 PolarHBondContact O-N 3.17Å; N913-S915 VanDerWaalsContact C-N 3.34Å; N913-S915 PolarHBondContact O-N 3.2Å; N913-S915 VanDerWaalsContact O-N 3.08Å
914	S	31.8	Very low	33.8	Very low	98 Å²	98	139.6 Å²	139.6	69%	0.685	78%	0.779	S	S	*	*			trans	-84.7	98.9	163.9	0.8	0	0	0	0	111.9	V912 V916	V912-S914 PolarHBondContact O-N 3.43Å; S914-V916 WeakPolarHBondContact O-CG2 3.19Å; S914-V916 PolarHBondContact O-N 3.01Å
915	S	32.4	Very low	33.8	Very low	105.25 Å²	105.25	135.9 Å²	135.9	74%	0.736	78%	0.779	S	S	*	*			trans	-72.6	106.1	163.3	-57.1	0	0	0	0	111.7	N913 L917	N913-S915 VanDerWaalsContact C-N 3.34Å; N913-S915 PolarHBondContact O-N 3.2Å; N913-S915 VanDerWaalsContact O-N 3.08Å; S915-L917 WeakPolarHBondContact O-CD1 3.41Å; S915-L917 PolarHBondContact O-N 3.47Å
916	V	34.1	Very low	33.8	Very low	132.25 Å²	132.25	133 Å²	133	80%	0.802	78%	0.777	S	S	*	*				-109.2	132.7	109	-143.8	0	0	0	0	111.1	S914	S914-V916 WeakPolarHBondContact O-CG2 3.19Å; S914-V916 PolarHBondContact O-N 3.01Å
917	L	36.2	Very low	33.8	Very low	155 Å²	155	133.1 Å²	133.1	81%	0.812	78%	0.781	S	S	*	*			trans	-69	137	165.8	-76.5	84.9	0	0	0	115.4	S915	S915-L917 WeakPolarHBondContact O-CD1 3.41Å; S915-L917 PolarHBondContact O-N 3.47Å
918	S	34.5	Very low	33.9	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	78%	0.775	S	S	*	*			trans	-120.4	144.4	148.1	-55.6	0	0	0	0	110.1	I920	S918-I920 PolarHBondContact O-N 3.42Å; S918-I920 VanDerWaalsContact O-N 3.15Å
919	P	39.4	Very low	33.9	Very low	122 Å²	122	121.4 Å²	121.4	79%	0.792	77%	0.77	S	S	*	*			trans	-99.4	145.8	168	7.4	5.7	0	0	0	114.1
920	I	36.8	Very low	34.1	Very low	143.75 Å²	143.75	123.4 Å²	123.4	74%	0.737	78%	0.775	S	S	*	*				-74.7	131.7	101.3	-74	169.1	0	0	0	109.7	S918 S922	S918-I920 PolarHBondContact O-N 3.42Å; S918-I920 VanDerWaalsContact O-N 3.15Å; I920-S922 WeakPolarHBondContact CG2-OG 3.41Å
921	R	33.9	Very low	34.4	Very low	237.25 Å²	237.25	120.9 Å²	120.9	90%	0.895	77%	0.774	S	S	*	*			trans	-125.9	123.3	139.9	-120	177.4	-175.1	-167.6	-0.9	113.3
922	S	33.6	Very low	34.5	Very low	99.5 Å²	99.5	120.8 Å²	120.8	70%	0.696	78%	0.778	S	S	*	*			trans	-83.4	139.6	146.2	-59.4	0	0	0	0	115.9	I920	I920-S922 WeakPolarHBondContact CG2-OG 3.41Å
923	S	33.6	Very low	35	Very low	122 Å²	122	121.4 Å²	121.4	85%	0.853	78%	0.784	S	S	*	*			trans	-150.2	118.9	153.2	-3.2	0	0	0	0	111.7
924	A	34.8	Very low	35.3	Very low	96.5 Å²	96.5	118.3 Å²	118.3	80%	0.798	79%	0.787	S	S	*	*			trans	147.7	140.1	135.2	0	0	0	0	0	114.2
925	A	35.3	Very low	35.4	Very low	98.75 Å²	98.75	116.8 Å²	116.8	82%	0.816	79%	0.787	S	S	*	*			trans	88.2	143.2	171.4	0	0	0	0	0	115.4
926	S	34.9	Very low	35.4	Very low	107.75 Å²	107.75	117.1 Å²	117.1	75%	0.753	79%	0.789	S	S	*	*				89.8	153.2	-117.4	-150.5	0	0	0	0	113.3
927	S	35.2	Very low	35.4	Very low	111.25 Å²	111.25	115 Å²	115	78%	0.778	78%	0.78	S	S	*	*				-128.7	162	-89	31.8	0	0	0	0	112.5
928	G	34.8	Very low	35.2	Very low	73.5 Å²	73.5	112.5 Å²	112.5	76%	0.758	78%	0.776	S	S	*	*			cis	143.3	144.4	13.5	0	0	0	0	0	111.5
929	G	33.7	Very low	35.2	Very low	71.25 Å²	71.25	111.9 Å²	111.9	74%	0.735	77%	0.771	S	S	*	*				134.8	157	-89	0	0	0	0	0	113.2
930	L	36	Very low	35	Very low	166.75 Å²	166.75	112.5 Å²	112.5	87%	0.873	77%	0.766	S	S	*	*			cis	139.4	154.3	18.5	-71.8	174.1	0	0	0	112.9
931	S	35.5	Very low	35	Very low	111.5 Å²	111.5	113.1 Å²	113.1	78%	0.78	77%	0.769	S	S	*	*			trans	98.1	112.5	147.8	-57.4	0	0	0	0	116.3
932	S	37.1	Very low	35.1	Very low	115 Å²	115	105.1 Å²	105.1	80%	0.804	76%	0.761	S	S	*	*				-95.9	170.6	115	-55.9	0	0	0	0	112.5
933	P	42.5	Very low	35.2	Very low	130.5 Å²	130.5	107 Å²	107	85%	0.847	76%	0.763	S	S	*	*			cis	-136.4	-177.2	-24.2	41.6	-26.2	0	0	0	115.3
934	G	35.3	Very low	35.3	Very low	81.25 Å²	81.25	107.4 Å²	107.4	84%	0.838	76%	0.756	S	S	*	*			trans	134.5	146.9	160.8	0	0	0	0	0	115.5
935	G	32.8	Very low	35.3	Very low	66 Å²	66	109 Å²	109	68%	0.68	75%	0.751	S	S	*	*				169.7	164.1	84.9	0	0	0	0	0	112.6	N952 G953	G935-N952 CarbonylContact C-O 3.26Å; G935-G953 CarbonylContact C-O 3.12Å; G935-G953 CarbonylContact O-C 3.51Å; G935-G953 VanDerWaalsContact O-C 3.26Å; G935-G953 WeakPolarHBondContact O-CA 3.26Å
936	S	33.2	Very low	35.2	Very low	110.5 Å²	110.5	110.7 Å²	110.7	77%	0.773	75%	0.745	S	S	*	*			trans	132.5	134.6	-179.2	-83.1	0	0	0	0	113.8	N951 N952 G953	S936-N951 CarbonylContact O-C 3.59Å; S936-N952 PolarHBondContact N-O 3.34Å; S936-N952 VanDerWaalsContact O-CA 3.31Å; S936-N952 WeakPolarHBondContact O-CA 3.43Å; S936-N952 PolarHBondContact O-N 2.98Å; S936-G953 VanDerWaalsContact N-N 3.17Å; S936-G953 PolarHBondContact N-O 3.3Å
937	S	33.9	Very low	35.1	Very low	90 Å²	90	115.7 Å²	115.7	63%	0.629	75%	0.747	S	S	*	*				-172.9	157.8	-99.1	-78.6	0	0	0	0	113.4	N952 G953	S937-N952 WeakPolarHBondContact OG-CA 3.28Å; S937-N952 WeakPolarHBondContact OG-CB 3.41Å; S937-N952 PolarHBondContact OG-OD1 2.72Å; S937-G953 WeakPolarHBondContact CB-O 3.46Å; S937-G953 PolarHBondContact N-O 3.14Å; S937-G953 VanDerWaalsContact N-O 3.08Å; S937-G953 PolarHBondContact OG-N 2.94Å
938	S	33	Very low	35	Very low	101.75 Å²	101.75	120.6 Å²	120.6	71%	0.712	75%	0.749	S	S	*	*			trans	122.5	147.3	158.9	46.5	0	0	0	0	115.5
939	S	33.7	Very low	35.1	Very low	92.5 Å²	92.5	123.5 Å²	123.5	65%	0.647	75%	0.752	S	S	*	*				174.9	172.6	55.2	55	0	0	0	0	113.8	T1179 P1180	S939-T1179 WeakPolarHBondContact O-CG2 3.42Å; S939-P1180 WeakPolarHBondContact OG-CB 3.08Å
940	I	36.1	Very low	35.5	Very low	134.5 Å²	134.5	125 Å²	125	69%	0.69	75%	0.749	S	S	*	*				135.5	136.6	-127.7	-86.7	170.1	0	0	0	113.4	P1180 V1181	I940-P1180 HydrophobicContact CB-CB 4.32Å; I940-P1180 HydrophobicContact CG2-CB 4.3Å; I940-V1181 WeakPolarHBondContact CD1-O 3.34Å
941	I	37	Very low	35.3	Very low	156.5 Å²	156.5	123.1 Å²	123.1	80%	0.803	74%	0.739	S	S	*	*				59.8	134.2	113.2	-57.7	167.5	0	0	0	114.8
942	G	34.8	Very low	35.2	Very low	69.5 Å²	69.5	124.2 Å²	124.2	72%	0.716	74%	0.737	S	S	*	*			trans	131.6	117.3	130.7	0	0	0	0	0	116.4
943	N	35.2	Very low	35.1	Very low	139 Å²	139	121.6 Å²	121.6	74%	0.743	73%	0.728	S	S	*	*				-113.4	154.9	94.4	-99.7	-10.5	0	0	0	113.3
944	N	36.5	Very low	34.6	Very low	130.5 Å²	130.5	121 Å²	121	70%	0.698	73%	0.726	S	S	*	*				129	137.9	125.6	-84.2	-22.6	0	0	0	116.2
945	N	34.1	Very low	34.4	Very low	131.75 Å²	131.75	125.4 Å²	125.4	71%	0.705	72%	0.724	S	S	*	*				165	150.9	55.8	-98.8	-31.3	0	0	0	113.8
946	I	34.8	Very low	34.5	Very low	133.5 Å²	133.5	127.8 Å²	127.8	69%	0.685	73%	0.726	S	S	*	*				132.5	117.1	72.8	-101.3	162.6	0	0	0	114.6
947	R	31.9	Very low	34.6	Very low	212.25 Å²	212.25	130.1 Å²	130.1	80%	0.801	73%	0.729	S	S	*	*			trans	67	131.5	134.9	-92.1	179.5	-171.7	-152.1	0.5	118.6
948	R	34	Very low	34.8	Very low	215 Å²	215	130.8 Å²	130.8	81%	0.811	73%	0.731	S	S	*	*				-151.7	149.6	69.5	-75.8	-179.1	-151.8	-158.2	3.7	112
949	T	35.2	Very low	34.8	Very low	133.25 Å²	133.25	133.8 Å²	133.8	82%	0.817	74%	0.739	S	S	*	*			trans	-98.1	169.3	155.3	42	0	0	0	0	110.2
950	P	42	Very low	34.8	Very low	103.25 Å²	103.25	132.8 Å²	132.8	67%	0.67	74%	0.743	S	S	*	*			cis	-136	-165.7	-2.9	41.8	-23.8	0	0	0	115.4
951	N	33.8	Very low	34.5	Very low	126.25 Å²	126.25	131.8 Å²	131.8	68%	0.675	75%	0.747	S	S	*	*			trans	101.7	133.6	151.1	-86.8	5.1	0	0	0	119.6	S936	S936-N951 CarbonylContact O-C 3.59Å
952	N	33.4	Very low	34.2	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	75%	0.749	S	S	*	*				76.7	150.8	126.8	-68.5	-3.3	0	0	0	118.6	G935 S936 S937	G935-N952 CarbonylContact C-O 3.26Å; S936-N952 PolarHBondContact N-O 3.34Å; S936-N952 VanDerWaalsContact O-CA 3.31Å; S936-N952 WeakPolarHBondContact O-CA 3.43Å; S936-N952 PolarHBondContact O-N 2.98Å; S937-N952 WeakPolarHBondContact OG-CA 3.28Å; S937-N952 WeakPolarHBondContact OG-CB 3.41Å; S937-N952 PolarHBondContact OG-OD1 2.72Å
953	G	34.9	Very low	34	Very low	60.75 Å²	60.75	133.7 Å²	133.7	63%	0.626	74%	0.743	S	S	*	*			trans	135.2	138.2	-177	0	0	0	0	0	111.2	G935 S936 S937	G935-G953 CarbonylContact C-O 3.12Å; G935-G953 CarbonylContact O-C 3.51Å; G935-G953 VanDerWaalsContact O-C 3.26Å; G935-G953 WeakPolarHBondContact O-CA 3.26Å; S936-G953 VanDerWaalsContact N-N 3.17Å; S936-G953 PolarHBondContact N-O 3.3Å; S937-G953 WeakPolarHBondContact CB-O 3.46Å; S937-G953 PolarHBondContact N-O 3.14Å; S937-G953 VanDerWaalsContact N-O 3.08Å; S937-G953 PolarHBondContact OG-N 2.94Å
954	C	30	Very low	33.8	Very low	117.5 Å²	117.5	134.4 Å²	134.4	79%	0.794	74%	0.742	S	S	*	*				45.8	157.6	113.8	-108.3	0	0	0	0	113.2
955	E	32.7	Very low	33.6	Very low	173.25 Å²	173.25	136.5 Å²	136.5	81%	0.81	75%	0.746	S	S	*	*				141.7	158.8	91.6	-84.7	-179.6	-143.2	0	0	116.4
956	T	35.3	Very low	33.7	Very low	116.25 Å²	116.25	137.3 Å²	137.3	71%	0.713	75%	0.749	S	S	*	*			cis	-178.8	152.1	-18.3	-43.4	0	0	0	0	114.9
957	L	34	Very low	33.5	Very low	158.75 Å²	158.75	134.1 Å²	134.1	83%	0.831	75%	0.749	S	S	*	*			trans	-3.5	165.8	163.8	-67.8	163.7	0	0	0	114.5
958	P	38.8	Very low	33.9	Very low	105 Å²	105	129.8 Å²	129.8	68%	0.682	75%	0.748	S	S	*	*			cis	-143.9	-177.4	-18.1	41.2	-21.8	0	0	0	116.1
959	N	32.3	Very low	34	Very low	163.75 Å²	163.75	125.7 Å²	125.7	88%	0.876	75%	0.746	S	S	*	*			trans	49.1	132.8	154.2	-58.3	-8.4	0	0	0	120.7
960	G	33.3	Very low	34.3	Very low	71.5 Å²	71.5	124.4 Å²	124.4	74%	0.737	74%	0.74	S	S	*	*			trans	172.7	132.6	150.2	0	0	0	0	0	112.6
961	C	30.7	Very low	33.8	Very low	114.5 Å²	114.5	125.2 Å²	125.2	77%	0.774	74%	0.739	S	S	*	*				125.7	134.2	128.5	-73.2	0	0	0	0	115.5
962	Q	30.6	Very low	33.8	Very low	179 Å²	179	126.1 Å²	126.1	84%	0.836	74%	0.739	S	S	*	*				59.3	147.9	127.7	-65.3	-179.8	32.5	0	0	119.9
963	S	30.9	Very low	33.7	Very low	86 Å²	86	127.3 Å²	127.3	60%	0.601	74%	0.74	S	S	*	*				135.1	152.7	85.8	-110.7	0	0	0	0	117.1
964	E	30	Very low	33.6	Very low	154 Å²	154	129.5 Å²	129.5	72%	0.72	75%	0.745	S	S	*	*				40.3	149	126	-76.7	160.5	121.7	0	0	118.1
965	F	33.1	Very low	33.7	Very low	176 Å²	176	128.7 Å²	128.7	77%	0.772	74%	0.741	S	S	*	*				177.9	126.9	101.8	-110.5	-105.8	0	0	0	113.3
966	I	36.2	Very low	33.7	Very low	148.25 Å²	148.25	127.7 Å²	127.7	76%	0.76	74%	0.741	S	S	*	*			trans	46.4	125.4	130.4	-57.1	179.1	0	0	0	117
967	G	31.4	Very low	33.4	Very low	66.5 Å²	66.5	132.3 Å²	132.3	69%	0.686	75%	0.745	S	S	*	*				171.4	158.7	99.2	0	0	0	0	0	111.4
968	P	38.7	Very low	33.3	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	74%	0.742	S	S	*	*			cis	-118	173.8	2.8	42.4	-31	0	0	0	114.4
969	V	36.5	Very low	32.9	Very low	129 Å²	129	131.2 Å²	131.2	78%	0.782	74%	0.74	S	S	*	*			trans	-174.5	145.2	133.6	171.9	0	0	0	0	112.4	N971	V969-N971 HydrophobicContact CG1-CB 3.56Å
970	P	41	Very low	32.9	Very low	106 Å²	106	129.5 Å²	129.5	69%	0.688	74%	0.736	S	S	*	*				-140	165.9	109	40.9	-26.8	0	0	0	115.8
971	N	32.7	Very low	32.8	Very low	121 Å²	121	131.3 Å²	131.3	65%	0.647	74%	0.737	S	S	*	*				59	134.4	119.9	-79.3	-0.9	0	0	0	119.9	V969	V969-N971 HydrophobicContact CG1-CB 3.56Å
972	H	33.2	Very low	32.9	Very low	146 Å²	146	130.5 Å²	130.5	68%	0.676	73%	0.733	S	S	*	*			cis	135.2	154.8	33.4	-81.2	-51.7	0	0	0	114.4
973	H	32.3	Very low	33	Very low	160.75 Å²	160.75	130.3 Å²	130.3	74%	0.744	73%	0.732	S	S	*	*			trans	66.2	147.9	144.3	-55.6	-72.6	0	0	0	116.5
974	S	32.5	Very low	33.3	Very low	106.75 Å²	106.75	131.4 Å²	131.4	75%	0.747	74%	0.737	S	S	*	*				-164.8	139	54.2	21.3	0	0	0	0	111
975	S	32	Very low	33.4	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	74%	0.74	S	S	*	*				99.7	141.3	71.3	-88.1	0	0	0	0	114.3
976	L	32.5	Very low	33.3	Very low	153 Å²	153	127.3 Å²	127.3	80%	0.801	73%	0.731	S	S	*	*			trans	69.1	126.5	160.8	-55.8	173.2	0	0	0	116.7
977	R	29.5	Very low	33.2	Very low	213.5 Å²	213.5	127.7 Å²	127.7	81%	0.806	73%	0.729	S	S	*	*			cis	161.9	158.3	25.3	-113.4	-173.2	-179.2	174.1	-1.9	111.5
978	L	31.3	Very low	33.3	Very low	147.75 Å²	147.75	130.1 Å²	130.1	77%	0.774	73%	0.731	S	S	*	*			trans	72.8	130.7	156.4	-64.7	151.7	0	0	0	118.1
979	S	30.1	Very low	33.2	Very low	92.25 Å²	92.25	129.8 Å²	129.8	65%	0.645	73%	0.729	S	S	*	*				108.1	119.6	77.3	-64.9	0	0	0	0	116.1
980	T	32.2	Very low	33	Very low	128.5 Å²	128.5	129.6 Å²	129.6	79%	0.788	73%	0.728	S	S	*	*				66.6	138	91.7	58.9	0	0	0	0	119.7
981	S	31.1	Very low	32.6	Very low	108.75 Å²	108.75	130.2 Å²	130.2	76%	0.76	73%	0.729	S	S	*	*			trans	77.1	146	131.8	-152.7	0	0	0	0	117.9
982	S	32.8	Very low	32.5	Very low	96.5 Å²	96.5	131 Å²	131	68%	0.675	73%	0.733	S	S	*	*			cis	175.7	149.8	-1.7	43.8	0	0	0	0	114.6
983	Q	33	Very low	32.6	Very low	175 Å²	175	129 Å²	129	82%	0.818	73%	0.731	S	S	*	*			trans	79.3	150.3	142.3	-80.5	-145.7	-3.3	0	0	118.7	L985	Q983-L985 HydrophobicContact CG-CD1 4.49Å
984	P	37.9	Very low	32.6	Very low	109.5 Å²	109.5	129.8 Å²	129.8	71%	0.711	74%	0.737	S	S	*	*			trans	-115.5	179.5	-173.1	40.1	-28.4	0	0	0	113.4
985	L	31.9	Very low	32.8	Very low	148 Å²	148	128.1 Å²	128.1	78%	0.775	74%	0.737	S	S	*	*			trans	175.4	144.7	150.1	-107.2	120.5	0	0	0	111.4	Q983	Q983-L985 HydrophobicContact CG-CD1 4.49Å
986	T	31.5	Very low	32.8	Very low	95.25 Å²	95.25	131.1 Å²	131.1	58%	0.584	74%	0.74	S	S	*	*			trans	80.7	159.5	134.8	43.5	0	0	0	0	114
987	H	33.9	Very low	32.7	Very low	157.25 Å²	157.25	132.9 Å²	132.9	73%	0.728	74%	0.742	S	S	*	*			cis	-165.8	150.9	49	-63.9	-84.8	0	0	0	112.1
988	T	32.5	Very low	32.8	Very low	116.75 Å²	116.75	132.6 Å²	132.6	72%	0.716	74%	0.741	S	S	*	*			cis	93.2	144.6	33.2	56.3	0	0	0	0	114.6
989	P	36.4	Very low	33	Very low	115 Å²	115	131.7 Å²	131.7	75%	0.747	74%	0.741	S	S	*	*				-116.2	-177.8	-72.1	30.6	-14.3	0	0	0	113.7
990	T	32.3	Very low	33	Very low	124.75 Å²	124.75	131.9 Å²	131.9	77%	0.765	74%	0.743	S	S	*	*			trans	138.4	151.1	150.2	-4.2	0	0	0	0	112.4
991	V	33.6	Very low	33.3	Very low	117 Å²	117	131.3 Å²	131.3	71%	0.709	74%	0.741	S	S	*	*				145.8	136.4	84.6	155	0	0	0	0	114.4	T993	V991-T993 HydrophobicContact CG1-CG2 4.26Å
992	L	30.7	Very low	33.3	Very low	139.75 Å²	139.75	131.9 Å²	131.9	73%	0.732	74%	0.74	S	S	*	*			trans	-32	146.7	154.2	-60.3	171.9	0	0	0	115.6
993	T	34.2	Very low	33.6	Very low	103.25 Å²	103.25	132.8 Å²	132.8	63%	0.633	74%	0.743	S	S	*	*				-164	149.8	68.2	27.8	0	0	0	0	109.8	V991	V991-T993 HydrophobicContact CG1-CG2 4.26Å
994	M	33.1	Very low	33.5	Very low	176.5 Å²	176.5	130.4 Å²	130.4	87%	0.869	74%	0.741	S	S	*	*			trans	69.9	135.3	134.9	-69.2	-62.1	-110.6	0	0	113.2
995	G	35.4	Very low	33.3	Very low	72.25 Å²	72.25	129 Å²	129	75%	0.745	74%	0.739	S	S	*	*			trans	170.7	111.6	172	0	0	0	0	0	112.8	F997	G995-F997 PolarHBondContact O-N 3.22Å
996	E	32	Very low	33.2	Very low	163.5 Å²	163.5	127.7 Å²	127.7	76%	0.764	74%	0.741	S	S	*	*			trans	-55	152.8	165.3	-63.8	-171.7	107.3	0	0	113.3	R998	E996-R998 PolarHBondContact O-N 2.88Å; E996-R998 IonicContact OE1-CZ 3.93Å; E996-R998 IonicContact OE1-NE 2.64Å; E996-R998 PolarHBondContact OE1-NE 2.82Å; E996-R998 IonicContact OE1-NH2 3.5Å; E996-R998 PolarHBondContact OE1-NH2 3.29Å
997	F	32.5	Very low	33.4	Very low	189.75 Å²	189.75	128 Å²	128	83%	0.832	75%	0.746	S	S	*	*			trans	66.6	113.3	157.7	-98.4	-92.2	0	0	0	114.5	G995	G995-F997 PolarHBondContact O-N 3.22Å
998	R	31.4	Very low	33.5	Very low	206.5 Å²	206.5	126.7 Å²	126.7	78%	0.779	75%	0.749	S	S	*	*				-141.2	145.8	93.7	-98.9	-174.5	-170.5	-160.4	1.7	110.3	E996	E996-R998 PolarHBondContact O-N 2.88Å; E996-R998 IonicContact OE1-CZ 3.93Å; E996-R998 IonicContact OE1-NE 2.64Å; E996-R998 PolarHBondContact OE1-NE 2.82Å; E996-R998 IonicContact OE1-NH2 3.5Å; E996-R998 PolarHBondContact OE1-NH2 3.29Å
999	V	34.4	Very low	33.4	Very low	130.25 Å²	130.25	126 Å²	126	79%	0.789	75%	0.75	S	S	*	*			trans	102.1	111.4	145	172.6	0	0	0	0	111.5
1000	S	29.8	Very low	33.1	Very low	96 Å²	96	124.9 Å²	124.9	67%	0.671	75%	0.75	S	S	*	*			trans	-82.8	160.3	148.6	65.5	0	0	0	0	111.7
1001	P	39.5	Very low	33.2	Very low	115 Å²	115	123.6 Å²	123.6	75%	0.747	75%	0.746	S	S	*	*			trans	-120.6	174.4	-164	36.2	-24.3	0	0	0	115
1002	T	31.4	Very low	33.3	Very low	122.8 Å²	122.8	123.6 Å²	123.6	75%	0.753	75%	0.751	S	S	*	*			trans	-145.4	163.1	144	-15.1	0	0	0	0	111.7	T1004	T1002-T1004 WeakPolarHBondContact CA-OG1 3.31Å; T1002-T1004 VanDerWaalsContact CB-OG1 3.22Å; T1002-T1004 WeakPolarHBondContact CB-OG1 3.47Å; T1002-T1004 PolarHBondContact N-OG1 3.25Å; T1002-T1004 PolarHBondContact O-OG1 3.11Å
1003	P	37.4	Very low	33.5	Very low	114.6 Å²	114.6	120.2 Å²	120.2	74%	0.744	75%	0.749	S	S	*	*			trans	-102.5	165.5	-154.6	28.4	-18.6	0	0	0	112.2
1004	T	32.8	Very low	33.5	Very low	125.4 Å²	125.4	121.8 Å²	121.8	77%	0.769	76%	0.759	S	S	*	*			trans	150.4	142.1	139.3	-30.3	0	0	0	0	111.2	T1002 C1006	T1002-T1004 WeakPolarHBondContact CA-OG1 3.31Å; T1002-T1004 VanDerWaalsContact CB-OG1 3.22Å; T1002-T1004 WeakPolarHBondContact CB-OG1 3.47Å; T1002-T1004 PolarHBondContact N-OG1 3.25Å; T1002-T1004 PolarHBondContact O-OG1 3.11Å; T1004-C1006 HydrophobicContact CG2-CB 4.25Å; T1004-C1006 VanDerWaalsContact CG2-SG 3.56Å
1005	A	32.4	Very low	33.6	Very low	80.2 Å²	80.2	118.7 Å²	118.7	66%	0.663	75%	0.754	S	S	*	*			trans	-84.8	169.1	142.5	0	0	0	0	0	113.9	S1007	A1005-S1007 WeakPolarHBondContact CB-OG 3.1Å; A1005-S1007 PolarHBondContact O-N 3.06Å
1006	C	30.8	Very low	33.7	Very low	120.6 Å²	120.6	120.7 Å²	120.7	82%	0.815	76%	0.757	S	S	*	*				89.8	141.2	112.8	-82.9	0	0	0	0	112.9	T1004	T1004-C1006 HydrophobicContact CG2-CB 4.25Å; T1004-C1006 VanDerWaalsContact CG2-SG 3.56Å
1007	S	35.7	Very low	33.9	Very low	100.2 Å²	100.2	116.7 Å²	116.7	70%	0.701	76%	0.759	S	S	*	*			trans	-126.8	151.2	156	-62.8	0	0	0	0	110.9	A1005	A1005-S1007 WeakPolarHBondContact CB-OG 3.1Å; A1005-S1007 PolarHBondContact O-N 3.06Å
1008	V	35	Very low	34.1	Very low	129.8 Å²	129.8	111.1 Å²	111.1	79%	0.787	76%	0.755	S	S	*	*				-141.9	127.7	69.3	-107	0	0	0	0	111.1
1009	S	30.1	Very low	34.4	Very low	103.6 Å²	103.6	106.9 Å²	106.9	72%	0.724	76%	0.755	S	S	*	*				72.8	136.3	78.8	-52.1	0	0	0	0	117.2	S1011	S1009-S1011 PolarHBondContact O-N 2.68Å
1010	A	31.4	Very low	34.4	Very low	90.6 Å²	90.6	105.6 Å²	105.6	75%	0.749	75%	0.752	S	S	*	*			trans	175.3	140.4	141.7	0	0	0	0	0	113.5
1011	S	34.6	Very low	34.7	Very low	99 Å²	99	110.1 Å²	110.1	69%	0.692	76%	0.76	S	S	*	*			trans	136	121.1	131	-147.5	0	0	0	0	116.2	S1009 P1198	S1009-S1011 PolarHBondContact O-N 2.68Å; S1011-P1198 WeakPolarHBondContact O-CD 3.46Å
1012	S	35.3	Very low	34.3	Very low	117 Å²	117	110.1 Å²	110.1	82%	0.818	76%	0.762	S	S	*	*			trans	150.5	139	155.8	61.4	0	0	0	0	115.9
1013	G	34.7	Very low	34.4	Very low	67.2 Å²	67.2	109.2 Å²	109.2	69%	0.693	76%	0.761	S	S	*	*			trans	126.8	116.8	150.8	0	0	0	0	0	114.3	V1196	G1013-V1196 CarbonylContact C-O 3.52Å; G1013-V1196 PolarHBondContact O-N 2.96Å; G1013-V1196 VanDerWaalsContact O-N 3.09Å
1014	V	34.2	Very low	34.3	Very low	136.8 Å²	136.8	109.5 Å²	109.5	83%	0.829	76%	0.761	S	S	*	*			cis	-120.6	164.2	22.2	-70	0	0	0	0	110.5	V1196	V1014-V1196 WeakPolarHBondContact CG1-O 3.39Å; V1014-V1196 WeakPolarHBondContact CG2-O 3.42Å
1015	S	35	Very low	34.3	Very low	110.8 Å²	110.8	110.8 Å²	110.8	78%	0.775	76%	0.763	S	S	*	*				102.2	159.1	120.8	-137.2	0	0	0	0	114.2
1016	S	38.3	Very low	34.4	Very low	114.2 Å²	114.2	112.1 Å²	112.1	80%	0.799	77%	0.767	S	S	*	*			cis	-151	159.2	13.1	46.6	0	0	0	0	111
1017	G	35.5	Very low	34.7	Very low	79.4 Å²	79.4	112 Å²	112	82%	0.819	77%	0.768	S	S	*	*			cis	150.2	161	27.2	0	0	0	0	0	112.7
1018	G	36.3	Very low	34.8	Very low	72.6 Å²	72.6	111.1 Å²	111.1	75%	0.748	78%	0.775	S	S	*	*			cis	-174.6	157.6	31.7	0	0	0	0	0	111.6
1019	P	38.4	Very low	34.8	Very low	119.4 Å²	119.4	108.8 Å²	108.8	78%	0.775	78%	0.777	S	S	*	*			trans	-109.6	168.4	-161.9	39.7	-34.1	0	0	0	115
1020	S	33.8	Very low	35.1	Very low	102.8 Å²	102.8	107.7 Å²	107.7	72%	0.719	78%	0.782	S	S	*	*			trans	-176.6	147.9	136.8	-76.8	0	0	0	0	113.5
1021	F	35.1	Very low	35.2	Very low	190.2 Å²	190.2	108.5 Å²	108.5	83%	0.834	78%	0.783	S	S	*	*			trans	-123.8	137.2	163.9	-66.3	-79.3	0	0	0	112.1
1022	S	32.4	Very low	35.3	Very low	114.2 Å²	114.2	110.6 Å²	110.6	80%	0.799	79%	0.791	S	S	*	*				154.6	129	114.8	-72.8	0	0	0	0	114.3
1023	S	33.4	Very low	35.2	Very low	104.6 Å²	104.6	108.3 Å²	108.3	73%	0.731	79%	0.786	S	S	*	*			trans	-143.8	157.1	165.6	39.4	0	0	0	0	111
1024	T	34.1	Very low	35.3	Very low	121.4 Å²	121.4	110.8 Å²	110.8	75%	0.745	79%	0.793	S	S	*	*				109.1	135.4	112.3	42.3	0	0	0	0	115.4
1025	N	33.2	Very low	35.3	Very low	151.2 Å²	151.2	108.8 Å²	108.8	81%	0.809	79%	0.785	S	S	*	*			trans	42.6	138.5	144.8	-57.1	-9.1	0	0	0	117.1
1026	S	35.9	Very low	35.5	Very low	108 Å²	108	108 Å²	108	76%	0.755	78%	0.778	S	S	*	*				-165.1	147.9	53	35.2	0	0	0	0	114.1
1027	S	36.2	Very low	35.3	Very low	119.8 Å²	119.8	109.3 Å²	109.3	84%	0.838	78%	0.775	S	S	*	*			trans	26.7	136.4	157.4	56.3	0	0	0	0	120.8
1028	G	37.5	Very low	35.2	Very low	80.8 Å²	80.8	110.6 Å²	110.6	83%	0.833	77%	0.767	S	S	*	*				156.1	144.4	113.3	0	0	0	0	0	113.1
1029	G	36	Very low	34.9	Very low	81.8 Å²	81.8	111.2 Å²	111.2	84%	0.843	76%	0.76	S	S	*	*			cis	153	148.6	-25.8	0	0	0	0	0	113.4
1030	G	34.9	Very low	34.7	Very low	79.8 Å²	79.8	112.2 Å²	112.2	82%	0.823	76%	0.759	S	S	*	*			trans	96.8	133.7	143.5	0	0	0	0	0	113.9
1031	S	35.2	Very low	34.6	Very low	108.4 Å²	108.4	114 Å²	114	76%	0.758	76%	0.76	S	S	*	*			cis	-159.8	154.3	14.2	-152.5	0	0	0	0	112.7
1032	T	35.9	Very low	34.4	Very low	141.2 Å²	141.2	109.9 Å²	109.9	87%	0.866	76%	0.755	S	S	*	*			trans	60.5	133.9	159.9	56.1	0	0	0	0	117.3
1033	G	34	Very low	34.5	Very low	70 Å²	70	110 Å²	110	72%	0.722	75%	0.751	S	S	*	*			trans	162.5	160.2	131.1	0	0	0	0	0	114.2
1034	S	35.7	Very low	34.6	Very low	120 Å²	120	110.6 Å²	110.6	84%	0.839	75%	0.75	S	S	*	*			trans	136	145.6	153.2	-59.4	0	0	0	0	116.2
1035	S	35.1	Very low	34.5	Very low	95.2 Å²	95.2	111.1 Å²	111.1	67%	0.666	75%	0.749	S	S	*	*			trans	33.2	147.5	145.7	-53.3	0	0	0	0	116.6	E1872	S1035-E1872 WeakPolarHBondContact CB-OE1 3.11Å; S1035-E1872 PolarHBondContact OG-OE1 2.93Å
1036	P	37.8	Very low	34.4	Very low	93.8 Å²	93.8	110.6 Å²	110.6	61%	0.609	74%	0.741	S	S	*	*				-107.4	172.6	94	36.4	-25.4	0	0	0	113.6	E1872	P1036-E1872 HydrophobicContact CG-CB 3.92Å; P1036-E1872 HydrophobicContact CG-CG 4.16Å; P1036-E1872 VanDerWaalsContact CG-N 3.32Å
1037	L	34.5	Very low	34.2	Very low	141.2 Å²	141.2	113.2 Å²	113.2	74%	0.739	74%	0.739	S	S	*	*			trans	159.2	150.7	152.4	-85.2	173.4	0	0	0	113.9
1038	T	33.3	Very low	34	Very low	106.2 Å²	106.2	115.2 Å²	115.2	65%	0.652	74%	0.735	S	S	*	*			trans	168	154.2	159.1	38.7	0	0	0	0	116.5	D1875	T1038-D1875 VanDerWaalsContact CA-O 3.22Å; T1038-D1875 WeakPolarHBondContact CA-O 3.18Å; T1038-D1875 WeakPolarHBondContact CB-O 2.95Å; T1038-D1875 HydrophobicContact CG2-CB 3.93Å; T1038-D1875 WeakPolarHBondContact CG2-O 3.45Å
1039	S	31.6	Very low	33.7	Very low	86.2 Å²	86.2	116.5 Å²	116.5	60%	0.603	73%	0.731	S	S	*	*			trans	75.8	134.9	146.3	65.4	0	0	0	0	117.8	D1875 S1876	S1039-D1875 PolarHBondContact N-O 2.86Å; S1039-D1875 PolarHBondContact OG-O 2.96Å; S1039-S1876 PolarHBondContact OG-N 3.47Å
1040	N	32.6	Very low	33.5	Very low	140 Å²	140	118.3 Å²	118.3	75%	0.749	73%	0.726	S	S	*	*				117.1	141.3	122.5	-75.7	-15	0	0	0	117.1
1041	N	32	Very low	33.4	Very low	139.2 Å²	139.2	120.1 Å²	120.1	74%	0.744	72%	0.721	S	S	*	*				114.6	126.1	101.4	-100.8	0.9	0	0	0	119
1042	S	31.9	Very low	33.3	Very low	105 Å²	105	121.9 Å²	121.9	73%	0.734	72%	0.72	S	S	*	*			trans	76.5	143.8	132.6	131.2	0	0	0	0	119.9
1043	T	34.9	Very low	33.1	Very low	116.4 Å²	116.4	120 Å²	120	71%	0.714	71%	0.713	S	S	*	*			trans	169.8	146.2	162.4	44.6	0	0	0	0	117.1
1044	T	34.9	Very low	33.1	Very low	116.4 Å²	116.4	125.4 Å²	125.4	71%	0.714	72%	0.717	S	S	*	*			trans	112.4	137.3	140	30.8	0	0	0	0	117.5
1045	N	31.1	Very low	33	Very low	133 Å²	133	124.5 Å²	124.5	71%	0.711	71%	0.71	S	S	*	*			trans	71.5	151.2	149.3	-63.8	-23.2	0	0	0	118
1046	H	31.5	Very low	32.9	Very low	139.2 Å²	139.2	126 Å²	126	64%	0.644	71%	0.71	S	S	*	*			cis	-177.2	139.6	37.5	-136.9	-70	0	0	0	115.4
1047	F	31.5	Very low	32.8	Very low	164.2 Å²	164.2	125.3 Å²	125.3	72%	0.72	71%	0.708	S	S	*	*			trans	39.3	125.4	155.6	-69.5	-80.4	0	0	0	117.5
1048	Q	32.8	Very low	32.7	Very low	160.4 Å²	160.4	125.8 Å²	125.8	75%	0.75	71%	0.711	S	S	*	*				87.1	146	93.1	-74	-168.3	17.3	0	0	118
1049	S	31	Very low	32.7	Very low	108.4 Å²	108.4	125.7 Å²	125.7	76%	0.758	72%	0.715	S	S	*	*				-166.4	141.2	113.4	-168.8	0	0	0	0	110.5
1050	V	31.8	Very low	32.7	Very low	120 Å²	120	129.6 Å²	129.6	73%	0.727	72%	0.724	S	S	*	*			trans	109.9	137.3	131.4	177.7	0	0	0	0	111.5
1051	V	32.6	Very low	32.7	Very low	117.4 Å²	117.4	130.1 Å²	130.1	71%	0.712	73%	0.725	S	S	*	*				-144.5	159.1	117.1	159.8	0	0	0	0	110.3
1052	I	33	Very low	32.6	Very low	147 Å²	147	132.3 Å²	132.3	75%	0.754	73%	0.728	S	S	*	*			trans	125.8	125.8	152.9	-63.7	170.2	0	0	0	113.6
1053	S	32	Very low	32.7	Very low	101.6 Å²	101.6	133 Å²	133	71%	0.71	73%	0.727	S	S	*	*			trans	-174.7	141.2	155.4	-59.5	0	0	0	0	116.1
1054	K	34.1	Very low	32.6	Very low	183.6 Å²	183.6	133.5 Å²	133.5	80%	0.798	73%	0.73	S	S	*	*			trans	170.9	139.9	140.2	-94.5	167.2	-178	178.1	0	113.7	R1144 S1145	K1054-R1144 CarbonylContact O-C 3.13Å; K1054-R1144 VanDerWaalsContact O-CA 3.28Å; K1054-R1144 WeakPolarHBondContact O-CA 3.22Å; K1054-S1145 PolarHBondContact O-N 3.04Å
1055	S	33.4	Very low	32.6	Very low	100 Å²	100	133 Å²	133	70%	0.699	73%	0.732	S	S	*	*			trans	105.3	165.5	143.3	63	0	0	0	0	115.7	N1143 R1144	S1055-N1143 WeakPolarHBondContact O-CA 3.33Å; S1055-N1143 WeakPolarHBondContact O-CB 3.44Å; S1055-N1143 PolarHBondContact O-OD1 2.92Å; S1055-N1143 PolarHBondContact OG-OD1 2.93Å; S1055-R1144 WeakPolarHBondContact O-CA 3.2Å
1056	N	32.7	Very low	32.7	Very low	126.4 Å²	126.4	131.6 Å²	131.6	68%	0.676	73%	0.732	S	S	*	*			trans	154.3	145.3	155.8	-122.1	10.1	0	0	0	115.5	N1143 R1144	N1056-N1143 HydrophobicContact CB-CB 3.74Å; N1056-N1143 VanDerWaalsContact CG-ND2 3.31Å; N1056-N1143 WeakPolarHBondContact ND2-CB 2.94Å; N1056-N1143 PolarHBondContact OD1-ND2 3.04Å; N1056-R1144 HydrophobicContact CB-CB 3.82Å; N1056-R1144 HydrophobicContact CB-CG 3.58Å; N1056-R1144 PolarHBondContact O-NH2 3.37Å
1057	S	35.1	Very low	32.7	Very low	79.6 Å²	79.6	130.3 Å²	130.3	56%	0.557	74%	0.739	S	S	*	*			trans	54.1	150.1	141.7	61.4	0	0	0	0	121.2	R1144	S1057-R1144 VanDerWaalsContact O-CZ 3.3Å; S1057-R1144 PolarHBondContact O-NH1 3.01Å; S1057-R1144 PolarHBondContact O-NH2 3.07Å; S1057-R1144 PolarHBondContact OG-NH1 2.77Å
1058	N	32.6	Very low	33.2	Very low	150.6 Å²	150.6	128 Å²	128	81%	0.805	74%	0.74	S	S	*	*			trans	80.5	143	132.9	-76.2	-3.8	0	0	0	119.6
1059	S	33.3	Very low	33.3	Very low	104.2 Å²	104.2	125.2 Å²	125.2	73%	0.729	74%	0.738	S	S	*	*				124.4	147.7	93.9	68.6	0	0	0	0	116.8
1060	Q	31.5	Very low	33.5	Very low	169.8 Å²	169.8	126.3 Å²	126.3	79%	0.793	74%	0.735	S	S	*	*			trans	-141.9	158.2	145.8	-78	-164.3	20.2	0	0	116.3
1061	I	34	Very low	33.7	Very low	149.4 Å²	149.4	128.2 Å²	128.2	77%	0.766	73%	0.733	S	S	*	*			trans	117.7	123.6	155.6	-73.7	169.1	0	0	0	114.5	V1063	I1061-V1063 HydrophobicContact CG2-CG2 3.81Å
1062	K	29.6	Very low	33.7	Very low	186.4 Å²	186.4	132.3 Å²	132.3	81%	0.81	74%	0.736	S	S	*	*				165.1	146.2	77.5	-153	-178.9	179	-179.3	0	112.1
1063	V	32.7	Very low	33.8	Very low	118.6 Å²	118.6	132 Å²	132	72%	0.719	74%	0.736	S	S	*	*				-136.9	158	119.5	-165.3	0	0	0	0	112	I1061	I1061-V1063 HydrophobicContact CG2-CG2 3.81Å
1064	T	33.1	Very low	33.9	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	74%	0.736	S	S	*	*				-156.7	148.1	129.9	39.2	0	0	0	0	115.8
1065	S	34.8	Very low	33.9	Very low	105.6 Å²	105.6	128.4 Å²	128.4	74%	0.738	73%	0.729	S	S	*	*			cis	-141.7	-171.4	38.8	52.7	0	0	0	0	112.1
1066	S	34	Very low	33.9	Very low	102.8 Å²	102.8	131.4 Å²	131.4	72%	0.719	73%	0.731	S	S	*	*			cis	178	146.5	19.9	58.6	0	0	0	0	113.5
1067	S	30.9	Very low	34.1	Very low	112.4 Å²	112.4	132.8 Å²	132.8	79%	0.786	74%	0.737	S	S	*	*			trans	-126.6	177.1	175.5	-54.6	0	0	0	0	112	S1069	S1067-S1069 PolarHBondContact O-N 3.24Å; S1067-S1069 PolarHBondContact O-OG 2.8Å
1068	P	42.8	Very low	34.1	Very low	116.2 Å²	116.2	132 Å²	132	76%	0.755	74%	0.741	S	S	*	*			trans	-116.1	165.2	180	38.8	-26.7	0	0	0	114.7
1069	S	34.1	Very low	34.2	Very low	100.6 Å²	100.6	133.3 Å²	133.3	70%	0.703	74%	0.742	S	S	*	*			trans	113.3	137.3	130.9	-72.8	0	0	0	0	117.8	S1067	S1067-S1069 PolarHBondContact O-N 3.24Å; S1067-S1069 PolarHBondContact O-OG 2.8Å
1070	L	35.9	Very low	34.3	Very low	133 Å²	133	133.2 Å²	133.2	70%	0.696	74%	0.742	S	S	*	*			cis	161.3	136.9	38.5	-82.6	168	0	0	0	115.5
1071	K	34.6	Very low	34.4	Very low	158.4 Å²	158.4	133 Å²	133	69%	0.689	75%	0.746	S	S	*	*			trans	68.3	137.4	130.6	-71.7	169.9	-171.9	168.6	0	118.2
1072	R	34.1	Very low	34.4	Very low	204.8 Å²	204.8	129 Å²	129	77%	0.773	74%	0.742	S	S	*	*			cis	170.5	155.1	35.7	-132	-176.9	-133.8	140.6	-8.6	111.5
1073	N	34.1	Very low	34.7	Very low	140 Å²	140	127.4 Å²	127.4	75%	0.749	74%	0.741	S	S	*	*			trans	174.9	159.2	170.5	-92.4	12	0	0	0	114
1074	V	34.4	Very low	34.8	Very low	117.8 Å²	117.8	128.4 Å²	128.4	71%	0.714	74%	0.742	S	S	*	*			cis	174.8	145.7	30.1	135.7	0	0	0	0	113.4
1075	S	34	Very low	34.8	Very low	91.6 Å²	91.6	128.7 Å²	128.7	64%	0.641	74%	0.739	S	S	*	*				-147.6	149.5	107.7	46	0	0	0	0	113.7
1076	H	34.3	Very low	34.8	Very low	163.8 Å²	163.8	128.2 Å²	128.2	76%	0.758	74%	0.735	S	S	*	*				81.2	144.1	89.8	-84.2	-73.6	0	0	0	117.1
1077	I	36.5	Very low	34.7	Very low	156 Å²	156	131.2 Å²	131.2	80%	0.8	74%	0.738	S	S	*	*				110.8	143.3	124.3	-85.9	159	0	0	0	114
1078	G	34.9	Very low	34.8	Very low	61.4 Å²	61.4	131.1 Å²	131.1	63%	0.633	74%	0.736	S	S	*	*				130.5	137.3	104.5	0	0	0	0	0	112.2
1079	Q	35.1	Very low	34.4	Very low	177.6 Å²	177.6	128.6 Å²	128.6	83%	0.83	73%	0.731	S	S	*	*				76	135.9	57.1	-66.4	-175	11.3	0	0	114.4
1080	S	34	Very low	34.4	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	74%	0.737	S	S	*	*				149.6	151.8	120.7	49.8	0	0	0	0	113.2
1081	N	34.3	Very low	34.3	Very low	165.4 Å²	165.4	129.9 Å²	129.9	88%	0.884	74%	0.735	S	S	*	*			cis	169.8	149.9	43.8	-82.9	-12.7	0	0	0	110.8
1082	G	35.2	Very low	34.2	Very low	66.4 Å²	66.4	128.5 Å²	128.5	69%	0.685	74%	0.735	S	S	*	*			trans	166.2	104.2	173.6	0	0	0	0	0	113.1	D1084	G1082-D1084 PolarHBondContact O-N 3.42Å
1083	I	34.8	Very low	34.2	Very low	153 Å²	153	127.4 Å²	127.4	79%	0.785	74%	0.736	S	S	*	*				61.7	103.6	100.4	-59.4	172.1	0	0	0	113.1
1084	D	34.7	Very low	34	Very low	138.2 Å²	138.2	125.9 Å²	125.9	74%	0.739	74%	0.736	S	S	*	*				127.7	133.7	125.2	-84.2	-18.7	0	0	0	116.6	G1082	G1082-D1084 PolarHBondContact O-N 3.42Å
1085	N	33.1	Very low	33.8	Very low	134.8 Å²	134.8	131.4 Å²	131.4	72%	0.721	74%	0.744	S	S	*	*				70.1	129.2	105.1	-85.9	-36	0	0	0	117
1086	S	34.4	Very low	33.7	Very low	95.2 Å²	95.2	132.3 Å²	132.3	67%	0.666	75%	0.746	S	S	*	*				150.5	150.9	85	71.3	0	0	0	0	116.3
1087	H	32.8	Very low	33.5	Very low	165.8 Å²	165.8	133.4 Å²	133.4	77%	0.768	75%	0.749	S	S	*	*			trans	75.7	142.9	158.1	-125.2	59.3	0	0	0	115.2
1088	C	32.4	Very low	33.3	Very low	109.4 Å²	109.4	130.9 Å²	130.9	74%	0.739	75%	0.745	S	S	*	*				92	147	126.5	48	0	0	0	0	115.4
1089	G	33.7	Very low	33.1	Very low	63.8 Å²	63.8	135 Å²	135	66%	0.658	75%	0.753	S	S	*	*				123.5	124.8	88.3	0	0	0	0	0	116.2
1090	N	34.8	Very low	33	Very low	154.8 Å²	154.8	131.8 Å²	131.8	83%	0.828	75%	0.75	S	S	*	*			trans	51.8	143.6	136	-77.6	-18.5	0	0	0	115.3
1091	T	33.9	Very low	33.2	Very low	105.8 Å²	105.8	132.6 Å²	132.6	65%	0.649	75%	0.753	S	S	*	*			cis	-158	145.5	24.7	42.4	0	0	0	0	112.5	V1447	T1091-V1447 HydrophobicContact CG2-CG1 3.4Å; T1091-V1447 VanDerWaalsContact CG2-CG1 3.4Å
1092	N	32.4	Very low	33.2	Very low	130 Å²	130	130 Å²	130	70%	0.695	75%	0.747	S	S	*	*			trans	158.8	130.9	150.9	-98.7	-43.2	0	0	0	116.3
1093	K	34	Very low	33	Very low	180.6 Å²	180.6	131.8 Å²	131.8	79%	0.785	75%	0.75	S	S	*	*			trans	70.3	120	138.2	-75.8	160.1	-172.3	172.6	0	118.4
1094	S	29.9	Very low	32.9	Very low	109.2 Å²	109.2	132.3 Å²	132.3	76%	0.764	75%	0.753	S	S	*	*			trans	-135	136.4	142.6	39.5	0	0	0	0	116.2
1095	R	30.8	Very low	32.9	Very low	232.8 Å²	232.8	133.8 Å²	133.8	88%	0.878	75%	0.753	S	S	*	*			trans	163.3	135.7	144.8	-110.4	-178.9	-179.2	-153.6	-1.8	113.5
1096	T	32	Very low	32.9	Very low	111.2 Å²	111.2	134.3 Å²	134.3	68%	0.682	76%	0.755	S	S	*	*			trans	-64.3	138.1	156.7	39.3	0	0	0	0	113.3
1097	F	30.3	Very low	32.8	Very low	187.8 Å²	187.8	136.6 Å²	136.6	82%	0.824	76%	0.755	S	S	*	*				-113.3	161.6	120.1	-83.3	-89.7	0	0	0	109.8
1098	S	31.5	Very low	32.8	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	75%	0.752	S	S	*	*			trans	-127.9	114.2	179.1	-20	0	0	0	0	110.9	S1100	S1098-S1100 PolarHBondContact O-N 3.27Å
1099	D	30.8	Very low	32.7	Very low	149 Å²	149	134.3 Å²	134.3	80%	0.797	75%	0.747	S	S	*	*			trans	-93.2	131.3	153.6	-81	-35.3	0	0	0	112.6
1100	S	33.9	Very low	32.7	Very low	110.4 Å²	110.4	135.9 Å²	135.9	77%	0.772	75%	0.748	S	S	*	*			trans	-130.7	153.4	172.2	-63.1	0	0	0	0	109.8	S1098 S1102	S1098-S1100 PolarHBondContact O-N 3.27Å; S1100-S1102 PolarHBondContact O-N 3.11Å
1101	P	37.7	Very low	32.6	Very low	119.2 Å²	119.2	135.5 Å²	135.5	77%	0.774	75%	0.746	S	S	*	*				-118.5	154.8	89.9	34.7	-23.3	0	0	0	113.3	S1103	P1101-S1103 PolarHBondContact O-N 3.38Å
1102	S	33	Very low	32.5	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	75%	0.752	S	S	*	*			trans	41	142.5	158	66	0	0	0	0	114.8	S1100 L1104	S1100-S1102 PolarHBondContact O-N 3.11Å; S1102-L1104 PolarHBondContact O-N 2.96Å; S1102-L1104 VanDerWaalsContact O-N 3.17Å
1103	S	30.9	Very low	32.5	Very low	104.4 Å²	104.4	134.4 Å²	134.4	73%	0.73	75%	0.753	S	S	*	*			trans	-117.1	136.7	169.8	31	0	0	0	0	112.7	P1101 K1105	P1101-S1103 PolarHBondContact O-N 3.38Å; S1103-K1105 PolarHBondContact O-N 3.28Å
1104	L	33.1	Very low	32.4	Very low	162.2 Å²	162.2	133.9 Å²	133.9	85%	0.849	76%	0.758	S	S	*	*			trans	-90.4	131.1	130.8	-73.7	167.5	0	0	0	113.8	S1102 L1106	S1102-L1104 PolarHBondContact O-N 2.96Å; S1102-L1104 VanDerWaalsContact O-N 3.17Å; L1104-L1106 VanDerWaalsContact C-N 3.35Å; L1104-L1106 PolarHBondContact O-N 2.91Å
1105	K	35.1	Very low	32.5	Very low	171 Å²	171	133.1 Å²	133.1	74%	0.743	76%	0.758	S	S	*	*			trans	-117.8	122.4	151.5	-155.6	-173.3	178.9	-173.4	0	112	S1103 H1107	S1103-K1105 PolarHBondContact O-N 3.28Å; K1105-H1107 VanDerWaalsContact CE-NE2 3.29Å; K1105-H1107 WeakPolarHBondContact CE-NE2 3.27Å; K1105-H1107 PolarHBondContact NZ-NE2 2.97Å; K1105-H1107 PolarHBondContact O-N 3.29Å
1106	L	33.2	Very low	32.6	Very low	144.4 Å²	144.4	127.3 Å²	127.3	76%	0.756	75%	0.753	S	S	*	*			trans	-98.7	134.6	158.3	-80.6	169.4	0	0	0	111.3	L1104 L1108	L1104-L1106 VanDerWaalsContact C-N 3.35Å; L1104-L1106 PolarHBondContact O-N 2.91Å; L1106-L1108 HydrophobicContact CB-CD1 4.49Å; L1106-L1108 HydrophobicContact CD2-CD1 4.5Å; L1106-L1108 PolarHBondContact O-N 3.45Å
1107	H	32.6	Very low	32.8	Very low	143.4 Å²	143.4	127.6 Å²	127.6	66%	0.664	76%	0.76	S	S	*	*			trans	-119.2	129	150.4	-89.1	-101.6	0	0	0	112.6	K1105 S1109	K1105-H1107 VanDerWaalsContact CE-NE2 3.29Å; K1105-H1107 WeakPolarHBondContact CE-NE2 3.27Å; K1105-H1107 PolarHBondContact NZ-NE2 2.97Å; K1105-H1107 PolarHBondContact O-N 3.29Å; H1107-S1109 PolarHBondContact ND1-OG 2.99Å; H1107-S1109 PolarHBondContact O-N 2.83Å
1108	L	32.6	Very low	32.9	Very low	135.6 Å²	135.6	124.1 Å²	124.1	71%	0.71	76%	0.759	S	S	*	*			trans	-131.9	107.1	158.6	-76.7	127.5	0	0	0	112.2	S819 I820 L1106 S1110	S819-L1108 VanDerWaalsContact CB-CG 3.47Å; S819-L1108 WeakPolarHBondContact OG-CG 3.35Å; I820-L1108 HydrophobicContact CB-CB 4.02Å; I820-L1108 HydrophobicContact CD1-CB 4.06Å; I820-L1108 HydrophobicContact CG1-CB 3.72Å; I820-L1108 HydrophobicContact CG1-CD2 4.17Å; L1106-L1108 HydrophobicContact CB-CD1 4.49Å; L1106-L1108 HydrophobicContact CD2-CD1 4.5Å; L1106-L1108 PolarHBondContact O-N 3.45Å; L1108-S1110 PolarHBondContact O-N 3.38Å
1109	S	31.2	Very low	33.2	Very low	91.8 Å²	91.8	125.4 Å²	125.4	64%	0.642	77%	0.765	S	S	*	*			trans	-179.2	129.7	157.9	-64.9	0	0	0	0	115.2	P818 S819 I820 H1107 N1111	P818-S1109 CarbonylContact C-O 3.26Å; P818-S1109 WeakPolarHBondContact CB-O 3.24Å; P818-S1109 VanDerWaalsContact CG-O 3.24Å; P818-S1109 WeakPolarHBondContact CG-O 3.19Å; S819-S1109 VanDerWaalsContact C-C 3.44Å; S819-S1109 CarbonylContact C-O 2.89Å; S819-S1109 PolarHBondContact N-O 2.67Å; S819-S1109 CarbonylContact O-C 3.57Å; I820-S1109 VanDerWaalsContact CB-CA 3.49Å; H1107-S1109 PolarHBondContact ND1-OG 2.99Å; H1107-S1109 PolarHBondContact O-N 2.83Å; S1109-N1111 VanDerWaalsContact C-N 3.28Å; S1109-N1111 PolarHBondContact O-N 2.99Å
1110	S	33.2	Very low	33.4	Very low	97.4 Å²	97.4	121.6 Å²	121.6	68%	0.681	76%	0.76	S	S	*	*			trans	-127.9	119	167.1	13.5	0	0	0	0	112.3	R118 S819 I820 L1108 T1112	R118-S1110 PolarHBondContact NH1-OG 2.83Å; S819-S1110 WeakPolarHBondContact O-CB 3.41Å; S819-S1110 PolarHBondContact O-OG 2.92Å; I820-S1110 PolarHBondContact N-OG 2.75Å; I820-S1110 VanDerWaalsContact N-OG 3.14Å; L1108-S1110 PolarHBondContact O-N 3.38Å; S1110-T1112 VanDerWaalsContact C-N 3.31Å; S1110-T1112 PolarHBondContact O-N 3.07Å
1111	N	32.4	Very low	33.5	Very low	145.4 Å²	145.4	122 Å²	122	78%	0.778	76%	0.761	S	S	*	*				170	135.3	128.4	-94.3	13.5	0	0	0	115.1	S1109 A1113	S1109-N1111 VanDerWaalsContact C-N 3.28Å; S1109-N1111 PolarHBondContact O-N 2.99Å; N1111-A1113 PolarHBondContact O-N 3.28Å; N1111-A1113 VanDerWaalsContact O-N 3.14Å
1112	T	32.6	Very low	33.4	Very low	127.4 Å²	127.4	123.8 Å²	123.8	78%	0.782	76%	0.764	S	S	*	*			trans	-139.4	129.8	154.5	42.8	0	0	0	0	115.1	S1110 L1114	S1110-T1112 VanDerWaalsContact C-N 3.31Å; S1110-T1112 PolarHBondContact O-N 3.07Å; T1112-L1114 PolarHBondContact O-N 2.76Å; T1112-L1114 VanDerWaalsContact O-N 3.17Å
1113	A	31.1	Very low	33.4	Very low	86.4 Å²	86.4	123.7 Å²	123.7	71%	0.714	76%	0.763	S	S	*	*			trans	-130.2	140.8	139.1	0	0	0	0	0	111.8	N1111	N1111-A1113 PolarHBondContact O-N 3.28Å; N1111-A1113 VanDerWaalsContact O-N 3.14Å
1114	L	33.1	Very low	33.6	Very low	169.4 Å²	169.4	124.7 Å²	124.7	89%	0.887	77%	0.767	S	S	*	*				153.8	138.1	92.1	-82.2	172.4	0	0	0	112	T1112	T1112-L1114 PolarHBondContact O-N 2.76Å; T1112-L1114 VanDerWaalsContact O-N 3.17Å
1115	A	32	Very low	33.7	Very low	92.2 Å²	92.2	122.3 Å²	122.3	76%	0.762	76%	0.764	S	S	*	*			trans	-154.2	156.5	131.8	0	0	0	0	0	113.1
1116	S	32.1	Very low	33.4	Very low	111.4 Å²	111.4	119 Å²	119	78%	0.779	76%	0.761	S	S	*	*			trans	169.1	125.8	178.3	60.4	0	0	0	0	114.8
1117	S	36	Very low	33.4	Very low	118.2 Å²	118.2	117.9 Å²	117.9	83%	0.827	76%	0.761	S	S	*	*				144.8	136.9	108.8	57.4	0	0	0	0	114.8
1118	S	32.6	Very low	33.4	Very low	114.6 Å²	114.6	115.5 Å²	115.5	80%	0.801	76%	0.76	S	S	*	*			trans	-101	171.4	174.8	-66.5	0	0	0	0	110.7
1119	P	38.4	Very low	33.4	Very low	128.6 Å²	128.6	114.2 Å²	114.2	84%	0.835	76%	0.762	S	S	*	*			cis	-129.3	176	21.4	38.8	-21.6	0	0	0	115.9
1120	G	33.7	Very low	33.6	Very low	68.6 Å²	68.6	115.7 Å²	115.7	71%	0.707	77%	0.768	S	S	*	*			trans	-148.8	167.8	157.8	0	0	0	0	0	113.8
1121	P	38	Very low	34	Very low	120 Å²	120	116.9 Å²	116.9	78%	0.779	77%	0.771	S	S	*	*			trans	-106.3	162.3	167.9	32.2	-22.8	0	0	0	113.9
1122	N	34.7	Very low	34.3	Very low	155.6 Å²	155.6	114.8 Å²	114.8	83%	0.832	77%	0.765	S	S	*	*			trans	-177.6	137.8	140.4	-95.8	-26.3	0	0	0	113
1123	S	33.5	Very low	34.5	Very low	109.4 Å²	109.4	115.2 Å²	115.2	77%	0.765	76%	0.762	S	S	*	*			trans	94.4	158.1	168.8	-22.4	0	0	0	0	115.4
1124	P	35	Very low	34.9	Very low	124.8 Å²	124.8	115.6 Å²	115.6	81%	0.81	76%	0.756	S	S	*	*			trans	-112.2	154.4	-138.5	37.7	-29.9	0	0	0	115	C1126	P1124-C1126 PolarHBondContact O-N 3.32Å
1125	S	34.8	Very low	35.2	Very low	112.2 Å²	112.2	112.2 Å²	112.2	79%	0.785	74%	0.742	S	S	*	*			trans	-143.7	146.9	155.4	169.8	0	0	0	0	113.2	T1127	S1125-T1127 PolarHBondContact O-N 3.06Å
1126	C	29.3	Very low	35.5	Very low	101.8 Å²	101.8	111.2 Å²	111.2	69%	0.688	73%	0.729	S	S	*	*			trans	-57.3	126.7	163.4	-56.3	0	0	0	0	114.3	P1124 S1128	P1124-C1126 PolarHBondContact O-N 3.32Å; C1126-S1128 PolarHBondContact O-N 3.46Å
1127	T	32	Very low	36.1	Very low	121.8 Å²	121.8	111.7 Å²	111.7	75%	0.747	72%	0.722	S	S	*	*				59.8	119.7	125.8	51.4	0	0	0	0	115.9	Q104 L105 P106 S1125	Q104-T1127 CarbonylContact C-O 3.53Å; Q104-T1127 VanDerWaalsContact C-O 3.26Å; Q104-T1127 WeakPolarHBondContact CB-OG1 3.33Å; Q104-T1127 CarbonylContact O-C 3.34Å; Q104-T1127 VanDerWaalsContact O-O 3.11Å; L105-T1127 WeakPolarHBondContact CA-O 3.39Å; L105-T1127 PolarHBondContact N-O 2.83Å; P106-T1127 VanDerWaalsContact O-O 3.08Å; S1125-T1127 PolarHBondContact O-N 3.06Å
1128	S	34	Very low	36.3	Very low	92.8 Å²	92.8	113.2 Å²	113.2	65%	0.649	71%	0.714	S	S	*	*				-154.7	133.5	113.1	-74.1	0	0	0	0	113	Q104 P106 C1126 T1130	Q104-S1128 PolarHBondContact O-N 3.12Å; P106-S1128 WeakPolarHBondContact O-CA 3.41Å; P106-S1128 WeakPolarHBondContact O-CB 3.13Å; P106-S1128 PolarHBondContact O-OG 3.37Å; C1126-S1128 PolarHBondContact O-N 3.46Å; S1128-T1130 PolarHBondContact O-N 2.9Å; S1128-T1130 PolarHBondContact O-OG1 2.63Å; S1128-T1130 PolarHBondContact OG-OG1 2.93Å
1129	S	32.5	Very low	36.8	Very low	107.4 Å²	107.4	113.8 Å²	113.8	75%	0.751	71%	0.707	S	S	*	*			trans	-31.4	117	153.5	62.1	0	0	0	0	114.7	T1131	S1129-T1131 PolarHBondContact O-N 3.21Å; S1129-T1131 VanDerWaalsContact O-N 3.11Å
1130	T	34.9	Very low	36.7	Very low	123.8 Å²	123.8	112.3 Å²	112.3	76%	0.76	70%	0.696	S	S	*	*			trans	-110.6	142.1	154.6	16.1	0	0	0	0	112.2	S1128	S1128-T1130 PolarHBondContact O-N 2.9Å; S1128-T1130 PolarHBondContact O-OG1 2.63Å; S1128-T1130 PolarHBondContact OG-OG1 2.93Å
1131	T	40.9	Very low	36.8	Very low	123.4 Å²	123.4	111.7 Å²	111.7	76%	0.757	69%	0.69	S	S	*	*			trans	-96.2	148.8	166.7	46.6	0	0	0	0	110.6	S1129 L1133	S1129-T1131 PolarHBondContact O-N 3.21Å; S1129-T1131 VanDerWaalsContact O-N 3.11Å; T1131-L1133 PolarHBondContact O-N 3.42Å
1132	P	38.3	Very low	36.7	Very low	101.4 Å²	101.4	112.4 Å²	112.4	66%	0.658	69%	0.685	S	S	*	*			trans	-101.7	149.2	169.3	33.8	-28.9	0	0	0	112.4	T1134	P1132-T1134 PolarHBondContact O-N 2.87Å
1133	L	37	Very low	36.7	Very low	135 Å²	135	110.8 Å²	110.8	71%	0.707	68%	0.677	S	S	*	*			trans	-28	130.1	166.8	-70.5	167.9	0	0	0	115.6	T1131 V1135	T1131-L1133 PolarHBondContact O-N 3.42Å; L1133-V1135 HydrophobicContact CD2-CG1 4.26Å
1134	T	39.8	Very low	36.8	Very low	95.8 Å²	95.8	115.4 Å²	115.4	59%	0.588	68%	0.677	S	S	*	*			trans	-111.2	125.5	156.4	-30.5	0	0	0	0	111.1	P1132 S1136 L1157	P1132-T1134 PolarHBondContact O-N 2.87Å; T1134-S1136 PolarHBondContact O-N 2.96Å; T1134-L1157 WeakPolarHBondContact O-CD1 3.27Å; T1134-L1157 WeakPolarHBondContact O-CD2 3.01Å
1135	V	38.8	Very low	36.8	Very low	97 Å²	97	114.2 Å²	114.2	59%	0.588	67%	0.672	S	S	*	*			trans	-92.8	124.5	164.3	-159.6	0	0	0	0	111.8	L1133 I1137 S1158	L1133-V1135 HydrophobicContact CD2-CG1 4.26Å; V1135-I1137 HydrophobicContact CG1-CG1 4.13Å; V1135-I1137 PolarHBondContact O-N 3.31Å; V1135-I1137 VanDerWaalsContact O-N 3.17Å; V1135-S1158 WeakPolarHBondContact O-CB 3.25Å; V1135-S1158 PolarHBondContact O-OG 3.17Å
1136	S	39.5	Very low	36.8	Very low	72.4 Å²	72.4	114.2 Å²	114.2	51%	0.506	67%	0.672	S	S	.	*			trans	-114.7	136.5	164.8	-61.2	0	0	0	0	111.9	T1134 K1138 S1158 E1159 N1160	T1134-S1136 PolarHBondContact O-N 2.96Å; S1136-K1138 PolarHBondContact O-N 3.29Å; S1136-S1158 WeakPolarHBondContact CB-OG 3.45Å; S1136-S1158 PolarHBondContact OG-OG 2.77Å; S1136-E1159 CarbonylContact C-O 3.36Å; S1136-E1159 VanDerWaalsContact CB-O 3.27Å; S1136-E1159 WeakPolarHBondContact CB-O 3.15Å; S1136-N1160 VanDerWaalsContact CB-CB 3.48Å; S1136-N1160 WeakPolarHBondContact CB-OD1 3.16Å; S1136-N1160 WeakPolarHBondContact OG-CB 3.33Å; S1136-N1160 PolarHBondContact OG-ND2 3.22Å; S1136-N1160 PolarHBondContact OG-OD1 2.97Å
1137	I	44.5	Very low	36.9	Very low	121.8 Å²	121.8	117.9 Å²	117.9	63%	0.625	68%	0.679	S	S	*	*			trans	-118.1	119.2	178.8	-56.3	176.9	0	0	0	109	V1135 L1139 E1159	V1135-I1137 HydrophobicContact CG1-CG1 4.13Å; V1135-I1137 PolarHBondContact O-N 3.31Å; V1135-I1137 VanDerWaalsContact O-N 3.17Å; I1137-L1139 HydrophobicContact CG2-CD2 4.09Å; I1137-L1139 HydrophobicContact CG2-CG 4.37Å; I1137-L1139 PolarHBondContact O-N 2.84Å; I1137-E1159 CarbonylContact C-O 3.56Å; I1137-E1159 VanDerWaalsContact C-O 3.27Å; I1137-E1159 WeakPolarHBondContact CA-O 3.47Å; I1137-E1159 PolarHBondContact N-O 2.94Å
1138	K	39.9	Very low	37	Very low	149.4 Å²	149.4	117.2 Å²	117.2	65%	0.65	68%	0.677	S	S	*	*			trans	-102.2	121.8	159.5	-169.6	-172.9	-179.5	174.8	0	112.2	S1136 T1140 T1161	S1136-K1138 PolarHBondContact O-N 3.29Å; K1138-T1140 HydrophobicContact CD-CG2 4.42Å; K1138-T1140 HydrophobicContact CG-CG2 4.13Å; K1138-T1161 WeakPolarHBondContact CD-OG1 3.47Å; K1138-T1161 WeakPolarHBondContact CE-OG1 3.11Å; K1138-T1161 PolarHBondContact NZ-OG1 3.34Å
1139	L	43.6	Very low	37	Very low	125.8 Å²	125.8	117.7 Å²	117.7	66%	0.659	68%	0.681	S	S	*	*			trans	-123.6	117	172.1	-70.7	177.7	0	0	0	110.5	I1137	I1137-L1139 HydrophobicContact CG2-CD2 4.09Å; I1137-L1139 HydrophobicContact CG2-CG 4.37Å; I1137-L1139 PolarHBondContact O-N 2.84Å
1140	T	37	Very low	37	Very low	97.2 Å²	97.2	119.4 Å²	119.4	60%	0.596	68%	0.681	S	S	*	*			trans	-97.4	128.1	159.3	49.9	0	0	0	0	115.7	K1138 I1142	K1138-T1140 HydrophobicContact CD-CG2 4.42Å; K1138-T1140 HydrophobicContact CG-CG2 4.13Å; T1140-I1142 PolarHBondContact O-N 3.1Å
1141	G	35.3	Very low	36.8	Very low	56.4 Å²	56.4	121 Å²	121	58%	0.581	68%	0.684	S	S	*	*			trans	153.6	117.6	171.1	0	0	0	0	0	110.8	N1143	G1141-N1143 PolarHBondContact O-N 2.72Å
1142	I	35.4	Very low	36.5	Very low	134.4 Å²	134.4	123 Å²	123	69%	0.689	69%	0.688	S	S	*	*				69.5	124.9	89.2	-46.6	171	0	0	0	110	T1140 R1144	T1140-I1142 PolarHBondContact O-N 3.1Å; I1142-R1144 HydrophobicContact CG2-CG 4.35Å
1143	N	35.7	Very low	36.1	Very low	122 Å²	122	123 Å²	123	65%	0.652	69%	0.691	S	S	*	*				-154.4	145.4	56	-108.9	-19.1	0	0	0	111	S1055 N1056 G1141	S1055-N1143 WeakPolarHBondContact O-CA 3.33Å; S1055-N1143 WeakPolarHBondContact O-CB 3.44Å; S1055-N1143 PolarHBondContact O-OD1 2.92Å; S1055-N1143 PolarHBondContact OG-OD1 2.93Å; N1056-N1143 HydrophobicContact CB-CB 3.74Å; N1056-N1143 VanDerWaalsContact CG-ND2 3.31Å; N1056-N1143 WeakPolarHBondContact ND2-CB 2.94Å; N1056-N1143 PolarHBondContact OD1-ND2 3.04Å; G1141-N1143 PolarHBondContact O-N 2.72Å
1144	R	35.1	Very low	36.1	Very low	205.8 Å²	205.8	122.2 Å²	122.2	78%	0.777	69%	0.694	S	S	*	*				-139.2	133	88.8	-81.1	-177.3	-175.6	172.7	1.7	112.8	K1054 S1055 N1056 S1057 I1142	K1054-R1144 CarbonylContact O-C 3.13Å; K1054-R1144 VanDerWaalsContact O-CA 3.28Å; K1054-R1144 WeakPolarHBondContact O-CA 3.22Å; S1055-R1144 WeakPolarHBondContact O-CA 3.2Å; N1056-R1144 HydrophobicContact CB-CB 3.82Å; N1056-R1144 HydrophobicContact CB-CG 3.58Å; N1056-R1144 PolarHBondContact O-NH2 3.37Å; S1057-R1144 VanDerWaalsContact O-CZ 3.3Å; S1057-R1144 PolarHBondContact O-NH1 3.01Å; S1057-R1144 PolarHBondContact O-NH2 3.07Å; S1057-R1144 PolarHBondContact OG-NH1 2.77Å; I1142-R1144 HydrophobicContact CG2-CG 4.35Å
1145	S	33.8	Very low	35.6	Very low	101 Å²	101	122.8 Å²	122.8	71%	0.706	70%	0.7	S	S	*	*			trans	-159.4	134.6	140.9	156	0	0	0	0	110.8	K1054	K1054-S1145 PolarHBondContact O-N 3.04Å
1146	S	35.7	Very low	35.3	Very low	111 Å²	111	123 Å²	123	78%	0.776	71%	0.706	S	S	*	*				101	102.8	97.4	65.8	0	0	0	0	113.8
1147	Q	31.6	Very low	34.9	Very low	180.4 Å²	180.4	126.6 Å²	126.6	84%	0.843	72%	0.719	S	S	*	*			trans	-131.4	145.4	139.2	-95.4	-122.9	-10.8	0	0	111.1
1148	P	33.7	Very low	34.3	Very low	107.6 Å²	107.6	125.1 Å²	125.1	70%	0.699	72%	0.72	S	S	*	*			trans	-116	157.4	172.8	37.5	-25.9	0	0	0	113.9
1149	S	34.1	Very low	34	Very low	103.4 Å²	103.4	125.9 Å²	125.9	72%	0.723	73%	0.726	S	S	*	*			trans	-177.9	131.6	156	56.6	0	0	0	0	113.8
1150	N	32.4	Very low	33.5	Very low	141.8 Å²	141.8	126.3 Å²	126.3	76%	0.758	73%	0.729	S	S	*	*				55.3	134.9	126.7	-73.7	-18.7	0	0	0	116
1151	L	31.3	Very low	33.4	Very low	159 Å²	159	126.7 Å²	126.7	83%	0.832	73%	0.731	S	S	*	*			trans	28.6	125.8	135.6	-62	172	0	0	0	117.5
1152	I	33.7	Very low	33.5	Very low	163.8 Å²	163.8	132.1 Å²	132.1	84%	0.84	74%	0.741	S	S	*	*				-146.5	149.1	117	-85.3	146.3	0	0	0	110.1
1153	S	31	Very low	33.5	Very low	101.6 Å²	101.6	132.3 Å²	132.3	71%	0.71	74%	0.743	S	S	*	*			trans	-99.1	164.7	169.4	-46.8	0	0	0	0	110.9	C1155	S1153-C1155 PolarHBondContact O-N 3.16Å
1154	P	36.4	Very low	33.3	Very low	118 Å²	118	135.3 Å²	135.3	77%	0.766	75%	0.75	S	S	*	*			trans	-120.6	154	178.5	37.1	-26.2	0	0	0	113.8
1155	C	30.2	Very low	33.3	Very low	108.4 Å²	108.4	132.4 Å²	132.4	73%	0.732	75%	0.749	S	S	*	*			trans	-114.7	145.3	154.7	-81.4	0	0	0	0	112.8	S1153 L1157	S1153-C1155 PolarHBondContact O-N 3.16Å; C1155-L1157 PolarHBondContact O-N 2.89Å
1156	S	31.8	Very low	33.3	Very low	101.6 Å²	101.6	132 Å²	132	71%	0.71	75%	0.746	S	S	*	*			trans	-176.7	129.3	138.7	-20.4	0	0	0	0	114.2	S1158	S1156-S1158 PolarHBondContact O-N 2.91Å
1157	L	31.6	Very low	33.2	Very low	148.2 Å²	148.2	133.2 Å²	133.2	78%	0.776	74%	0.743	S	S	*	*			trans	48.9	131.2	147.1	-64.2	171.9	0	0	0	114.7	T1134 C1155	T1134-L1157 WeakPolarHBondContact O-CD1 3.27Å; T1134-L1157 WeakPolarHBondContact O-CD2 3.01Å; C1155-L1157 PolarHBondContact O-N 2.89Å
1158	S	30.4	Very low	33.4	Very low	91.2 Å²	91.2	132.5 Å²	132.5	64%	0.638	74%	0.741	S	S	*	*			trans	-149.2	141.5	135	68	0	0	0	0	112.4	V1135 S1136 S1156	V1135-S1158 WeakPolarHBondContact O-CB 3.25Å; V1135-S1158 PolarHBondContact O-OG 3.17Å; S1136-S1158 WeakPolarHBondContact CB-OG 3.45Å; S1136-S1158 PolarHBondContact OG-OG 2.77Å; S1156-S1158 PolarHBondContact O-N 2.91Å
1159	E	34.3	Very low	33.4	Very low	165.4 Å²	165.4	132.9 Å²	132.9	77%	0.773	74%	0.737	S	S	*	*			trans	-142.5	134.4	150.3	-83.6	174.5	162.4	0	0	113.4	S1136 I1137	S1136-E1159 CarbonylContact C-O 3.36Å; S1136-E1159 VanDerWaalsContact CB-O 3.27Å; S1136-E1159 WeakPolarHBondContact CB-O 3.15Å; I1137-E1159 CarbonylContact C-O 3.56Å; I1137-E1159 VanDerWaalsContact C-O 3.27Å; I1137-E1159 WeakPolarHBondContact CA-O 3.47Å; I1137-E1159 PolarHBondContact N-O 2.94Å
1160	N	33.8	Very low	33.5	Very low	134.8 Å²	134.8	135.5 Å²	135.5	72%	0.721	74%	0.735	S	S	*	*			trans	-143	142.4	158.3	-101.1	-26	0	0	0	112.1	S1136	S1136-N1160 VanDerWaalsContact CB-CB 3.48Å; S1136-N1160 WeakPolarHBondContact CB-OD1 3.16Å; S1136-N1160 WeakPolarHBondContact OG-CB 3.33Å; S1136-N1160 PolarHBondContact OG-ND2 3.22Å; S1136-N1160 PolarHBondContact OG-OD1 2.97Å
1161	T	35.4	Very low	33.7	Very low	105.8 Å²	105.8	136.9 Å²	136.9	65%	0.649	74%	0.737	S	S	*	*			trans	-141.9	154.4	155.8	-12.4	0	0	0	0	114.8	K1138 L1163	K1138-T1161 WeakPolarHBondContact CD-OG1 3.47Å; K1138-T1161 WeakPolarHBondContact CE-OG1 3.11Å; K1138-T1161 PolarHBondContact NZ-OG1 3.34Å; T1161-L1163 HydrophobicContact CG2-CD1 4.28Å; T1161-L1163 HydrophobicContact CG2-CG 4.32Å
1162	E	35.4	Very low	33.8	Very low	169.2 Å²	169.2	134.2 Å²	134.2	79%	0.791	73%	0.727	S	S	*	*			trans	86.9	137.7	159.8	-57.1	179.9	154.9	0	0	115.8
1163	L	36.7	Very low	33.8	Very low	139 Å²	139	133.1 Å²	133.1	73%	0.728	72%	0.723	S	S	*	*				170.9	139.4	96.6	-100.5	133.3	0	0	0	110.8	T1161 I1165	T1161-L1163 HydrophobicContact CG2-CD1 4.28Å; T1161-L1163 HydrophobicContact CG2-CG 4.32Å; L1163-I1165 HydrophobicContact CD2-CD1 3.58Å; L1163-I1165 HydrophobicContact CD2-CG1 4.4Å; L1163-I1165 HydrophobicContact CG-CG1 4.38Å
1164	F	31.1	Very low	34	Very low	183.8 Å²	183.8	134.7 Å²	134.7	81%	0.806	72%	0.723	S	S	*	*				-81.7	146.9	102.5	-77.7	-104.1	0	0	0	114.2
1165	I	34.8	Very low	34	Very low	145.4 Å²	145.4	134 Å²	134	75%	0.746	72%	0.721	S	S	*	*				121.4	131.7	95.9	-79.3	167.6	0	0	0	113.7	L1163	L1163-I1165 HydrophobicContact CD2-CD1 3.58Å; L1163-I1165 HydrophobicContact CD2-CG1 4.4Å; L1163-I1165 HydrophobicContact CG-CG1 4.38Å
1166	S	33.6	Very low	34.3	Very low	91.6 Å²	91.6	136.6 Å²	136.6	64%	0.641	73%	0.727	S	S	*	*			trans	-157.9	144.1	159.1	131.3	0	0	0	0	116.3
1167	N	34.2	Very low	34.7	Very low	136.6 Å²	136.6	136.7 Å²	136.7	73%	0.73	73%	0.725	S	S	*	*				115.2	135.9	99.6	-85.6	-19.9	0	0	0	116.5
1168	Q	35.5	Very low	34.9	Very low	167.2 Å²	167.2	136.8 Å²	136.8	78%	0.781	73%	0.726	S	S	*	*				82.4	147	130	-80.7	-179.7	14.8	0	0	116.7
1169	D	34	Very low	35.1	Very low	115.6 Å²	115.6	137.8 Å²	137.8	62%	0.618	73%	0.729	S	S	*	*			cis	-148.4	158.6	-13.5	-122.4	-31.8	0	0	0	112.5
1170	K	36	Very low	35.4	Very low	158.2 Å²	158.2	135.2 Å²	135.2	69%	0.688	73%	0.726	S	S	*	*			trans	62.3	126.9	148.3	-73.6	157.9	-171.6	149.6	0	118.2
1171	Q	35.9	Very low	35.4	Very low	170.4 Å²	170.4	134 Å²	134	80%	0.796	72%	0.723	S	S	*	*				111.2	137.2	92.1	-77.1	-174.3	-25.9	0	0	112.5
1172	T	34.3	Very low	35.4	Very low	103 Å²	103	134.2 Å²	134.2	63%	0.632	73%	0.729	S	S	*	*			cis	-149	154.5	17	25.4	0	0	0	0	110.8
1173	N	34.5	Very low	35.4	Very low	139.2 Å²	139.2	130 Å²	130	74%	0.744	72%	0.723	S	S	*	*			trans	67.1	138.8	154.7	-52.6	5.4	0	0	0	117.9
1174	D	34.7	Very low	35.7	Very low	135.6 Å²	135.6	128.5 Å²	128.5	73%	0.725	72%	0.722	S	S	*	*			cis	-160.3	161.9	4.2	-118.8	-53.9	0	0	0	114.4
1175	S	35.2	Very low	36.3	Very low	103.6 Å²	103.6	125.2 Å²	125.2	72%	0.724	72%	0.719	S	S	*	*			trans	83.3	146.9	143	-27.9	0	0	0	0	117.7
1176	L	37.2	Very low	36.4	Very low	163 Å²	163	125 Å²	125	85%	0.853	72%	0.718	S	S	*	*			trans	81.7	158.2	134.5	-68.9	169.2	0	0	0	115.4
1177	P	40.9	Very low	36.5	Very low	103.6 Å²	103.6	131.1 Å²	131.1	67%	0.673	73%	0.727	S	S	*	*				-123.1	177.7	-101.4	36.5	-21.1	0	0	0	114.9
1178	L	34.8	Very low	36.4	Very low	150.4 Å²	150.4	129.5 Å²	129.5	79%	0.787	73%	0.726	S	S	*	*			trans	144.7	132.4	157.4	-82.3	170.9	0	0	0	117
1179	T	35.2	Very low	36.5	Very low	113 Å²	113	130.6 Å²	130.6	69%	0.693	73%	0.728	S	S	*	*			trans	-83	164.3	158.3	46.1	0	0	0	0	114.9	S939	S939-T1179 WeakPolarHBondContact O-CG2 3.42Å
1180	P	39.3	Very low	36.7	Very low	110.6 Å²	110.6	131.2 Å²	131.2	72%	0.718	74%	0.736	S	S	*	*			cis	-124.1	169.6	-17	30.4	-13.3	0	0	0	113.6	S939 I940	S939-P1180 WeakPolarHBondContact OG-CB 3.08Å; I940-P1180 HydrophobicContact CB-CB 4.32Å; I940-P1180 HydrophobicContact CG2-CB 4.3Å
1181	V	34.3	Very low	36.6	Very low	109.8 Å²	109.8	127.7 Å²	127.7	67%	0.665	73%	0.732	S	S	*	*			trans	142.4	136	150.4	173.6	0	0	0	0	115.7	I940	I940-V1181 WeakPolarHBondContact CD1-O 3.34Å
1182	S	36.4	Very low	36.6	Very low	109.2 Å²	109.2	128.9 Å²	128.9	76%	0.764	73%	0.729	S	S	*	*			trans	-128.7	139.9	159.2	-65.8	0	0	0	0	115.2
1183	A	35.6	Very low	36.5	Very low	82.2 Å²	82.2	131 Å²	131	68%	0.679	73%	0.731	S	S	*	*				156.5	157.8	112	0	0	0	0	0	115
1184	P	42.6	Very low	36.6	Very low	107.4 Å²	107.4	130.2 Å²	130.2	70%	0.697	73%	0.731	S	S	*	*			trans	-116.3	-178.6	168.1	41	-31	0	0	0	114.8
1185	P	43.4	Very low	36.5	Very low	112.8 Å²	112.8	128.1 Å²	128.1	73%	0.732	73%	0.728	S	S	*	*				-117.1	179.5	114	34.6	-20.2	0	0	0	113	R1187	P1185-R1187 PolarHBondContact O-N 3.45Å
1186	L	37.6	Very low	36.5	Very low	142.2 Å²	142.2	129.2 Å²	129.2	75%	0.745	73%	0.73	S	S	*	*			trans	68.2	128.2	162.2	-59.8	176.4	0	0	0	116.6
1187	R	34.4	Very low	36.3	Very low	218.6 Å²	218.6	126.1 Å²	126.1	83%	0.825	71%	0.714	S	S	*	*				-163.6	145.5	84.5	-102.8	176.7	173.1	164.4	-1.4	114.3	P1185	P1185-R1187 PolarHBondContact O-N 3.45Å
1188	C	32.9	Very low	36.1	Very low	103.6 Å²	103.6	125.9 Å²	125.9	70%	0.7	71%	0.713	S	S	*	*			trans	-35.2	140.6	140.2	-69.4	0	0	0	0	115.8	T1190	C1188-T1190 HydrophobicContact CB-CG2 4.13Å
1189	K	37	Very low	36	Very low	190 Å²	190	128.1 Å²	128.1	83%	0.826	71%	0.711	S	S	*	*				-154	139.5	111.6	-78.4	162.2	-173.2	173.6	0	111.2
1190	T	38.4	Very low	36	Very low	128.2 Å²	128.2	133.9 Å²	133.9	79%	0.787	72%	0.72	S	S	*	*				90.6	136.7	63.5	46.5	0	0	0	0	115.2	C1188	C1188-T1190 HydrophobicContact CB-CG2 4.13Å
1191	S	34.9	Very low	35.7	Very low	85.6 Å²	85.6	133.9 Å²	133.9	60%	0.599	72%	0.721	S	S	*	*				176.4	119.6	123.2	-175.7	0	0	0	0	109.6
1192	R	34.5	Very low	35.6	Very low	195.6 Å²	195.6	133.3 Å²	133.3	74%	0.738	72%	0.721	S	S	*	*				98.1	145.6	88.3	-70	176.2	-150	-178.7	0.6	110.8	C1201 I1203	R1192-C1201 WeakPolarHBondContact CD-O 3.28Å; R1192-C1201 PolarHBondContact NH1-O 2.95Å; R1192-I1203 PolarHBondContact NH1-O 3Å; R1192-I1203 PolarHBondContact NH2-O 2.8Å
1193	H	33.8	Very low	35.6	Very low	147.6 Å²	147.6	135.9 Å²	135.9	68%	0.683	73%	0.725	S	S	*	*			cis	-177.4	164.2	38.3	-104.3	-99.7	0	0	0	111.3	S1195 D1197	H1193-S1195 PolarHBondContact O-N 2.84Å; H1193-D1197 VanDerWaalsContact O-CB 3.25Å; H1193-D1197 WeakPolarHBondContact O-CB 3.38Å
1194	T	35.5	Very low	35.5	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	73%	0.725	S	S	*	*				-145.3	-176.7	72.6	39.9	0	0	0	0	113.7	V1196 D1197	T1194-V1196 WeakPolarHBondContact CB-O 3.45Å; T1194-V1196 PolarHBondContact OG1-O 2.83Å; T1194-D1197 WeakPolarHBondContact OG1-CB 3.44Å; T1194-D1197 PolarHBondContact OG1-N 2.86Å
1195	S	32	Very low	35.1	Very low	92.8 Å²	92.8	136.5 Å²	136.5	65%	0.649	73%	0.731	S	S	*	*			trans	-172.3	145.9	177	74.8	0	0	0	0	114.5	H1193 D1197 K1546	H1193-S1195 PolarHBondContact O-N 2.84Å; S1195-D1197 VanDerWaalsContact CA-CB 3.4Å; S1195-D1197 WeakPolarHBondContact CA-O 3.33Å; S1195-D1197 PolarHBondContact OG-O 3.34Å; S1195-K1546 PolarHBondContact O-NZ 3.45Å
1196	V	36.9	Very low	34.6	Very low	126.8 Å²	126.8	139.9 Å²	139.9	77%	0.768	74%	0.737	S	S	*	*				-144.4	139.7	57	171.4	0	0	0	0	112.1	G1013 V1014 T1194	G1013-V1196 CarbonylContact C-O 3.52Å; G1013-V1196 PolarHBondContact O-N 2.96Å; G1013-V1196 VanDerWaalsContact O-N 3.09Å; V1014-V1196 WeakPolarHBondContact CG1-O 3.39Å; V1014-V1196 WeakPolarHBondContact CG2-O 3.42Å; T1194-V1196 WeakPolarHBondContact CB-O 3.45Å; T1194-V1196 PolarHBondContact OG1-O 2.83Å
1197	D	32.4	Very low	34.3	Very low	96.6 Å²	96.6	137.6 Å²	137.6	52%	0.517	74%	0.739	S	S	.	*			cis	-135.9	131.8	41.5	-163.8	34.2	0	0	0	114.4	H1193 T1194 S1195 R1199 R1200	H1193-D1197 VanDerWaalsContact O-CB 3.25Å; H1193-D1197 WeakPolarHBondContact O-CB 3.38Å; T1194-D1197 WeakPolarHBondContact OG1-CB 3.44Å; T1194-D1197 PolarHBondContact OG1-N 2.86Å; S1195-D1197 VanDerWaalsContact CA-CB 3.4Å; S1195-D1197 WeakPolarHBondContact CA-O 3.33Å; S1195-D1197 PolarHBondContact OG-O 3.34Å; D1197-R1199 PolarHBondContact O-N 3.21Å; D1197-R1199 WeakPolarHBondContact OD1-CA 3.43Å; D1197-R1199 PolarHBondContact OD1-N 2.85Å; D1197-R1199 IonicContact OD1-NH1 3.17Å; D1197-R1199 PolarHBondContact OD1-NH1 3.09Å; D1197-R1199 PolarHBondContact OD2-N 3.41Å; D1197-R1199 IonicContact OD2-NH2 2.74Å; D1197-R1200 PolarHBondContact OD1-N 3.34Å
1198	P	36.7	Very low	34.2	Very low	100.4 Å²	100.4	132.4 Å²	132.4	65%	0.652	74%	0.736	S	S	*	*			trans	-105.7	91.1	171.6	36.5	-31.2	0	0	0	114.5	S1011	S1011-P1198 WeakPolarHBondContact O-CD 3.46Å
1199	R	32.6	Very low	34.2	Very low	196.8 Å²	196.8	133.4 Å²	133.4	74%	0.743	74%	0.74	S	S	*	*			trans	-151.2	108.1	171.1	-82.4	175.2	-164.3	164.2	9	115.8	S711 S712 D1197	S711-R1199 PolarHBondContact O-NH2 3.36Å; S711-R1199 WeakPolarHBondContact OG-CD 3.48Å; S711-R1199 PolarHBondContact OG-NE 2.69Å; S711-R1199 PolarHBondContact OG-NH1 2.89Å; S711-R1199 VanDerWaalsContact OG-NH1 3.1Å; S711-R1199 PolarHBondContact OG-NH2 2.97Å; S712-R1199 PolarHBondContact O-NH1 3.08Å; D1197-R1199 PolarHBondContact O-N 3.21Å; D1197-R1199 WeakPolarHBondContact OD1-CA 3.43Å; D1197-R1199 PolarHBondContact OD1-N 2.85Å; D1197-R1199 IonicContact OD1-NH1 3.17Å; D1197-R1199 PolarHBondContact OD1-NH1 3.09Å; D1197-R1199 PolarHBondContact OD2-N 3.41Å; D1197-R1199 IonicContact OD2-NH2 2.74Å
1200	R	34.1	Very low	34.2	Very low	234 Å²	234	131.4 Å²	131.4	88%	0.883	74%	0.743	S	S	*	*			trans	102.5	121.9	148.4	-77.3	177.7	174.8	-139.1	-0.9	114.3	D1197	D1197-R1200 PolarHBondContact OD1-N 3.34Å
1201	C	34.2	Very low	33.8	Very low	111.2 Å²	111.2	129 Å²	129	75%	0.751	74%	0.743	S	S	*	*			cis	-168.6	138.1	28.5	-94.4	0	0	0	0	110.9	R1192	R1192-C1201 WeakPolarHBondContact CD-O 3.28Å; R1192-C1201 PolarHBondContact NH1-O 2.95Å
1202	S	31	Very low	33.7	Very low	95.8 Å²	95.8	128.8 Å²	128.8	67%	0.67	76%	0.755	S	S	*	*			trans	-84.4	155	161	39.3	0	0	0	0	114.1
1203	I	37.3	Very low	33.6	Very low	165 Å²	165	123.8 Å²	123.8	85%	0.846	76%	0.755	S	S	*	*			trans	112.4	138.3	144.3	-67	146.7	0	0	0	113.5	R1192	R1192-I1203 PolarHBondContact NH1-O 3Å; R1192-I1203 PolarHBondContact NH2-O 2.8Å
1204	G	32.8	Very low	33.7	Very low	66 Å²	66	122.6 Å²	122.6	68%	0.68	76%	0.759	S	S	*	*			trans	113.8	118.2	160.7	0	0	0	0	0	114.8
1205	V	33.8	Very low	33.9	Very low	135 Å²	135	123.9 Å²	123.9	82%	0.818	76%	0.761	S	S	*	*				102.6	123.4	59	-177	0	0	0	0	112.1
1206	E	34.6	Very low	34	Very low	184.2 Å²	184.2	127.1 Å²	127.1	86%	0.861	77%	0.771	S	S	*	*			trans	149.6	157.2	154.1	-69	-109.5	140.6	0	0	115.1
1207	A	30.7	Very low	34.3	Very low	94 Å²	94	127.8 Å²	127.8	78%	0.777	77%	0.769	S	S	*	*			trans	-115.4	160.5	176	0	0	0	0	0	113.1
1208	S	32	Very low	34.9	Very low	109.4 Å²	109.4	128.1 Å²	128.1	77%	0.765	77%	0.774	S	S	*	*				-149.6	134.2	113.9	-151.3	0	0	0	0	112.1
1209	T	33.1	Very low	35.4	Very low	126.4 Å²	126.4	128.1 Å²	128.1	78%	0.775	77%	0.769	S	S	*	*			trans	-64.5	134.6	146.2	29.6	0	0	0	0	113.5
1210	V	35.9	Very low	36.3	Very low	147 Å²	147	127.9 Å²	127.9	89%	0.891	77%	0.768	S	S	*	*				-151.5	124.7	113.2	-176.5	0	0	0	0	113.3
1211	G	30.7	Very low	36.9	Very low	77.4 Å²	77.4	127.3 Å²	127.3	80%	0.798	77%	0.766	S	S	*	*			trans	166	121.8	161	0	0	0	0	0	112.9	A1213	G1211-A1213 PolarHBondContact O-N 3.38Å
1212	G	32.4	Very low	37.5	Very low	81.8 Å²	81.8	125.3 Å²	125.3	84%	0.843	75%	0.753	S	S	*	*			trans	-179.5	71.8	-175.2	0	0	0	0	0	116.1
1213	A	33.9	Very low	38.2	Very low	89.6 Å²	89.6	127 Å²	127	74%	0.74	77%	0.765	S	S	*	*			trans	-161.1	121	164.6	0	0	0	0	0	115	G1211	G1211-A1213 PolarHBondContact O-N 3.38Å
1214	T	35.9	Very low	38.7	Very low	124.2 Å²	124.2	122.2 Å²	122.2	76%	0.762	76%	0.757	S	S	*	*			trans	51.1	107.8	160.6	57.2	0	0	0	0	115.8
1215	N	38.3	Very low	39.5	Very low	146.6 Å²	146.6	122.5 Å²	122.5	78%	0.784	75%	0.748	S	S	*	*				-177.7	104.9	114.1	-87.3	-23.5	0	0	0	110.5	I1217	N1215-I1217 PolarHBondContact O-N 3.1Å
1216	D	35.5	Very low	40.6	Very low	160.4 Å²	160.4	121.1 Å²	121.1	86%	0.858	74%	0.742	S	S	*	*			trans	-64.6	62.8	175.1	-67.4	-54.6	0	0	0	113.7	T1218	D1216-T1218 PolarHBondContact O-N 2.81Å
1217	I	43.2	Very low	41.8	Very low	143 Å²	143	117.9 Å²	117.9	73%	0.733	74%	0.735	S	S	*	*			trans	-86.5	103.9	157.6	-68.6	178.5	0	0	0	107.3	N1215 D1219	N1215-I1217 PolarHBondContact O-N 3.1Å; I1217-D1219 VanDerWaalsContact C-N 3.34Å; I1217-D1219 PolarHBondContact O-N 3.26Å; I1217-D1219 VanDerWaalsContact O-N 3.15Å
1218	T	45	Very low	43.2	Very low	102.2 Å²	102.2	122.6 Å²	122.6	63%	0.627	73%	0.733	S	S	*	*			trans	-74	108.3	170.9	-47.1	0	0	0	0	108.7	D1216 W1220	D1216-T1218 PolarHBondContact O-N 2.81Å; T1218-W1220 VanDerWaalsContact C-N 3.32Å; T1218-W1220 VanDerWaalsContact CG2-CD1 3.49Å; T1218-W1220 VanDerWaalsContact O-CD1 3.26Å; T1218-W1220 PolarHBondContact O-N 3.19Å
1219	D	45.8	Very low	45.4	Very low	100.8 Å²	100.8	119.9 Å²	119.9	54%	0.539	71%	0.709	S	S	.	*			trans	-75.6	90.9	174.2	-107.9	-5.1	0	0	0	111.1	I1217 W1221 S1222	I1217-D1219 VanDerWaalsContact C-N 3.34Å; I1217-D1219 PolarHBondContact O-N 3.26Å; I1217-D1219 VanDerWaalsContact O-N 3.15Å; D1219-W1221 PolarHBondContact O-N 3.09Å; D1219-W1221 VanDerWaalsContact O-N 3.16Å; D1219-W1221 WeakPolarHBondContact OD1-CB 3.04Å; D1219-W1221 PolarHBondContact OD1-N 2.94Å; D1219-S1222 WeakPolarHBondContact CB-OG 3.46Å; D1219-S1222 PolarHBondContact O-N 3.07Å; D1219-S1222 WeakPolarHBondContact OD2-CA 3.44Å; D1219-S1222 VanDerWaalsContact OD2-CB 3.27Å; D1219-S1222 WeakPolarHBondContact OD2-CB 3.4Å; D1219-S1222 PolarHBondContact OD2-N 2.87Å; D1219-S1222 PolarHBondContact OD2-OG 3.15Å
1220	W	52	Low	47.6	Very low	192.8 Å²	192.8	116.9 Å²	116.9	73%	0.73	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-5.8	178	-73	63.7	0	0	0	114	T1218 S1225 V1227	T1218-W1220 VanDerWaalsContact C-N 3.32Å; T1218-W1220 VanDerWaalsContact CG2-CD1 3.49Å; T1218-W1220 VanDerWaalsContact O-CD1 3.26Å; T1218-W1220 PolarHBondContact O-N 3.19Å; W1220-S1225 VanDerWaalsContact O-CB 3.23Å; W1220-S1225 WeakPolarHBondContact O-CB 3.43Å; W1220-S1225 PolarHBondContact O-OG 2.83Å; W1220-V1227 HydrophobicContact CE3-CB 4.22Å; W1220-V1227 HydrophobicContact CE3-CG1 4.2Å; W1220-V1227 HydrophobicContact CE3-CG2 3.79Å; W1220-V1227 HydrophobicContact CZ3-CG2 3.92Å
1221	W	47.3	Very low	50	Low	221.2 Å²	221.2	116.4 Å²	116.4	84%	0.838	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-8	-169.9	-50.6	97.6	0	0	0	114.1	D1219 S1223 Y1228 M1231	D1219-W1221 PolarHBondContact O-N 3.09Å; D1219-W1221 VanDerWaalsContact O-N 3.16Å; D1219-W1221 WeakPolarHBondContact OD1-CB 3.04Å; D1219-W1221 PolarHBondContact OD1-N 2.94Å; W1221-S1223 PolarHBondContact O-N 2.96Å; W1221-S1223 VanDerWaalsContact O-N 3.13Å; W1221-Y1228 WeakPolarHBondContact O-CD2 3.39Å; W1221-M1231 HydrophobicContact CH2-CE 4.37Å; W1221-M1231 HydrophobicContact CZ3-CE 3.96Å
1222	S	46.9	Very low	52.6	Low	69.4 Å²	69.4	119.7 Å²	119.7	49%	0.485	67%	0.672	S	S	.	*	S	Bend	trans	-78.6	115.5	-176.5	-71.5	0	0	0	0	112.4	D1219 G1224 S1225	D1219-S1222 WeakPolarHBondContact CB-OG 3.46Å; D1219-S1222 PolarHBondContact O-N 3.07Å; D1219-S1222 WeakPolarHBondContact OD2-CA 3.44Å; D1219-S1222 VanDerWaalsContact OD2-CB 3.27Å; D1219-S1222 WeakPolarHBondContact OD2-CB 3.4Å; D1219-S1222 PolarHBondContact OD2-N 2.87Å; D1219-S1222 PolarHBondContact OD2-OG 3.15Å; S1222-G1224 VanDerWaalsContact C-N 3.3Å; S1222-G1224 PolarHBondContact O-N 3.1Å; S1222-S1225 WeakPolarHBondContact O-CB 3.32Å; S1222-S1225 PolarHBondContact O-N 3.15Å
1223	S	45.6	Very low	55.2	Low	129.8 Å²	129.8	118.6 Å²	118.6	91%	0.908	65%	0.647	S	S	*	*	S	Bend	trans	14	18.8	173.2	58.7	0	0	0	0	117.7	W1221	W1221-S1223 PolarHBondContact O-N 2.96Å; W1221-S1223 VanDerWaalsContact O-N 3.13Å
1224	G	48.5	Very low	57.9	Low	65.4 Å²	65.4	120.1 Å²	120.1	67%	0.674	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	40.7	166.1	0	0	0	0	0	112.7	S1222 P1226	S1222-G1224 VanDerWaalsContact C-N 3.3Å; S1222-G1224 PolarHBondContact O-N 3.1Å; G1224-P1226 WeakPolarHBondContact O-CD 3.28Å
1225	S	47.6	Very low	60.5	Low	72.2 Å²	72.2	118.9 Å²	118.9	51%	0.505	62%	0.624	S	S	.	*			trans	-60.5	132.9	176.4	-176.3	0	0	0	0	110.1	W1220 S1222 V1227 Y1228 E1229	W1220-S1225 VanDerWaalsContact O-CB 3.23Å; W1220-S1225 WeakPolarHBondContact O-CB 3.43Å; W1220-S1225 PolarHBondContact O-OG 2.83Å; S1222-S1225 WeakPolarHBondContact O-CB 3.32Å; S1222-S1225 PolarHBondContact O-N 3.15Å; S1225-V1227 VanDerWaalsContact C-N 3.27Å; S1225-V1227 PolarHBondContact O-N 2.94Å; S1225-V1227 VanDerWaalsContact O-N 3.13Å; S1225-V1227 PolarHBondContact OG-N 3.28Å; S1225-Y1228 WeakPolarHBondContact O-CB 3.47Å; S1225-Y1228 PolarHBondContact O-N 3.45Å; S1225-Y1228 PolarHBondContact OG-N 3.43Å; S1225-E1229 PolarHBondContact O-N 3.41Å
1226	P	57.3	Low	63	Low	104.8 Å²	104.8	116.8 Å²	116.8	68%	0.681	61%	0.609	S	S	*	*			trans	-64.4	81.9	177.1	17.4	-21.7	0	0	0	110	G1224 Y1228 S1230	G1224-P1226 WeakPolarHBondContact O-CD 3.28Å; P1226-Y1228 VanDerWaalsContact C-N 3.31Å; P1226-Y1228 HydrophobicContact CG-CE2 4.31Å; P1226-Y1228 VanDerWaalsContact O-CD2 3.32Å; P1226-Y1228 WeakPolarHBondContact O-CD2 3.27Å; P1226-Y1228 PolarHBondContact O-N 2.96Å; P1226-Y1228 VanDerWaalsContact O-N 3.13Å; P1226-S1230 WeakPolarHBondContact O-CB 3.43Å; P1226-S1230 PolarHBondContact O-N 3.38Å; P1226-S1230 VanDerWaalsContact O-N 3.12Å
1227	V	60.5	Low	65.6	Low	118.2 Å²	118.2	116.4 Å²	116.4	72%	0.716	60%	0.595	S	S	*	*			trans	-51.3	109.3	173.1	179.1	0	0	0	0	108.1	W1220 S1225 E1229 M1231	W1220-V1227 HydrophobicContact CE3-CB 4.22Å; W1220-V1227 HydrophobicContact CE3-CG1 4.2Å; W1220-V1227 HydrophobicContact CE3-CG2 3.79Å; W1220-V1227 HydrophobicContact CZ3-CG2 3.92Å; S1225-V1227 VanDerWaalsContact C-N 3.27Å; S1225-V1227 PolarHBondContact O-N 2.94Å; S1225-V1227 VanDerWaalsContact O-N 3.13Å; S1225-V1227 PolarHBondContact OG-N 3.28Å; V1227-E1229 PolarHBondContact O-N 2.99Å; V1227-M1231 VanDerWaalsContact O-CB 3.31Å; V1227-M1231 WeakPolarHBondContact O-CB 3.45Å; V1227-M1231 PolarHBondContact O-N 2.81Å
1228	Y	60.8	Low	67.9	Low	191 Å²	191	118.1 Å²	118.1	75%	0.749	59%	0.592	S	S	*	*			trans	-65.9	64.9	-179.5	-114.5	-96.8	0	0	0	109.7	W1221 S1225 P1226 S1230 M1231 Y1232	W1221-Y1228 WeakPolarHBondContact O-CD2 3.39Å; S1225-Y1228 WeakPolarHBondContact O-CB 3.47Å; S1225-Y1228 PolarHBondContact O-N 3.45Å; S1225-Y1228 PolarHBondContact OG-N 3.43Å; P1226-Y1228 VanDerWaalsContact C-N 3.31Å; P1226-Y1228 HydrophobicContact CG-CE2 4.31Å; P1226-Y1228 VanDerWaalsContact O-CD2 3.32Å; P1226-Y1228 WeakPolarHBondContact O-CD2 3.27Å; P1226-Y1228 PolarHBondContact O-N 2.96Å; P1226-Y1228 VanDerWaalsContact O-N 3.13Å; Y1228-S1230 PolarHBondContact O-N 3.05Å; Y1228-M1231 WeakPolarHBondContact O-CB 3.4Å; Y1228-M1231 PolarHBondContact O-N 3.49Å; Y1228-M1231 VanDerWaalsContact O-N 3.15Å; Y1228-Y1232 WeakPolarHBondContact O-CB 3.23Å; Y1228-Y1232 PolarHBondContact O-N 2.84Å
1229	E	76.2	Confident	70.1	Confident	53.2 Å²	53.2	117 Å²	117	25%	0.249	59%	0.585	C	S	.	*			trans	-58.5	105.1	176	-178.9	-179.5	-170	0	0	108.2	S1225 V1227 M1231 Y1232 D1233 K1234 R1237	S1225-E1229 PolarHBondContact O-N 3.41Å; V1227-E1229 PolarHBondContact O-N 2.99Å; E1229-M1231 VanDerWaalsContact C-N 3.31Å; E1229-M1231 PolarHBondContact O-N 3.01Å; E1229-Y1232 PolarHBondContact O-N 3.33Å; E1229-D1233 HydrophobicContact CG-CB 3.67Å; E1229-D1233 VanDerWaalsContact CG-CB 3.49Å; E1229-D1233 PolarHBondContact O-N 2.94Å; E1229-K1234 HydrophobicContact CB-CG 4.47Å; E1229-K1234 HydrophobicContact CG-CG 3.8Å; E1229-K1234 VanDerWaalsContact O-CE 3.31Å; E1229-K1234 WeakPolarHBondContact O-CE 3.41Å; E1229-K1234 PolarHBondContact O-NZ 3.1Å; E1229-K1234 WeakPolarHBondContact OE1-CA 3.4Å; E1229-K1234 VanDerWaalsContact OE1-CG 3.28Å; E1229-K1234 WeakPolarHBondContact OE1-CG 3.31Å; E1229-K1234 PolarHBondContact OE1-N 3.17Å; E1229-K1234 VanDerWaalsContact OE2-CE 3.23Å; E1229-K1234 WeakPolarHBondContact OE2-CE 3.27Å; E1229-K1234 VanDerWaalsContact OE2-CG 3.24Å; E1229-K1234 WeakPolarHBondContact OE2-CG 3.35Å; E1229-K1234 IonicContact OE2-NZ 3.2Å; E1229-R1237 VanDerWaalsContact CD-NH2 3.3Å; E1229-R1237 VanDerWaalsContact OE1-CD 3.28Å; E1229-R1237 WeakPolarHBondContact OE1-CD 3.38Å; E1229-R1237 IonicContact OE1-CZ 3.07Å; E1229-R1237 VanDerWaalsContact OE1-CZ 3.27Å; E1229-R1237 IonicContact OE1-NE 3.27Å; E1229-R1237 PolarHBondContact OE1-NE 3.33Å; E1229-R1237 VanDerWaalsContact OE1-NE 3.16Å; E1229-R1237 IonicContact OE1-NH1 3.26Å; E1229-R1237 PolarHBondContact OE1-NH1 3.27Å; E1229-R1237 VanDerWaalsContact OE1-NH1 3.07Å; E1229-R1237 IonicContact OE1-NH2 3.01Å; E1229-R1237 PolarHBondContact OE1-NH2 3.11Å; E1229-R1237 IonicContact OE2-CZ 3.02Å; E1229-R1237 VanDerWaalsContact OE2-CZ 3.26Å; E1229-R1237 IonicContact OE2-NE 3.29Å; E1229-R1237 IonicContact OE2-NH1 3.97Å; E1229-R1237 PolarHBondContact OE2-NH1 3.07Å; E1229-R1237 IonicContact OE2-NH2 3.39Å; E1229-R1237 PolarHBondContact OE2-NH2 3.07Å
1230	S	80.6	Confident	72.3	Confident	63.4 Å²	63.4	116.8 Å²	116.8	44%	0.443	58%	0.584	S	S	.	*			trans	-53.8	150.9	-179.3	-179.8	0	0	0	0	110.6	P1226 Y1228 Y1232 D1233 K1234	P1226-S1230 WeakPolarHBondContact O-CB 3.43Å; P1226-S1230 PolarHBondContact O-N 3.38Å; P1226-S1230 VanDerWaalsContact O-N 3.12Å; Y1228-S1230 PolarHBondContact O-N 3.05Å; S1230-Y1232 PolarHBondContact O-N 3.15Å; S1230-Y1232 VanDerWaalsContact O-N 3.13Å; S1230-Y1232 WeakPolarHBondContact OG-CB 3.37Å; S1230-Y1232 PolarHBondContact OG-N 3.18Å; S1230-D1233 VanDerWaalsContact CB-OD2 3.25Å; S1230-D1233 WeakPolarHBondContact CB-OD2 3.31Å; S1230-D1233 PolarHBondContact N-OD2 3.16Å; S1230-D1233 VanDerWaalsContact N-OD2 3.08Å; S1230-D1233 PolarHBondContact O-N 3.07Å; S1230-K1234 VanDerWaalsContact O-CB 3.22Å; S1230-K1234 WeakPolarHBondContact O-CB 3.44Å; S1230-K1234 PolarHBondContact O-N 3.16Å; S1230-K1234 VanDerWaalsContact O-N 3.12Å
1231	M	86.1	Confident	74.4	Confident	137.4 Å²	137.4	114.4 Å²	114.4	68%	0.677	58%	0.579	S	S	*	*	H	α-helix	trans	-57.8	-33.7	170.7	-120.2	-169.1	-60.1	0	0	111	W1221 V1227 Y1228 E1229 K1234 I1235	W1221-M1231 HydrophobicContact CH2-CE 4.37Å; W1221-M1231 HydrophobicContact CZ3-CE 3.96Å; V1227-M1231 VanDerWaalsContact O-CB 3.31Å; V1227-M1231 WeakPolarHBondContact O-CB 3.45Å; V1227-M1231 PolarHBondContact O-N 2.81Å; Y1228-M1231 WeakPolarHBondContact O-CB 3.4Å; Y1228-M1231 PolarHBondContact O-N 3.49Å; Y1228-M1231 VanDerWaalsContact O-N 3.15Å; E1229-M1231 VanDerWaalsContact C-N 3.31Å; E1229-M1231 PolarHBondContact O-N 3.01Å; M1231-K1234 PolarHBondContact O-N 2.97Å; M1231-I1235 HydrophobicContact CG-CD1 4.1Å; M1231-I1235 WeakPolarHBondContact O-CB 3.45Å; M1231-I1235 WeakPolarHBondContact O-CD1 3.4Å; M1231-I1235 VanDerWaalsContact O-CG1 3.32Å; M1231-I1235 WeakPolarHBondContact O-CG1 3.29Å; M1231-I1235 PolarHBondContact O-N 2.85Å
1232	Y	85.2	Confident	76.5	Confident	147.2 Å²	147.2	107.8 Å²	107.8	58%	0.577	56%	0.557	S	S	*	*	H	α-helix	trans	-59.7	-47.9	173.4	-174.9	-104.5	0	0	0	112.6	Y1228 E1229 S1230 K1234 I1235 K1236	Y1228-Y1232 WeakPolarHBondContact O-CB 3.23Å; Y1228-Y1232 PolarHBondContact O-N 2.84Å; E1229-Y1232 PolarHBondContact O-N 3.33Å; S1230-Y1232 PolarHBondContact O-N 3.15Å; S1230-Y1232 VanDerWaalsContact O-N 3.13Å; S1230-Y1232 WeakPolarHBondContact OG-CB 3.37Å; S1230-Y1232 PolarHBondContact OG-N 3.18Å; Y1232-K1234 VanDerWaalsContact C-N 3.34Å; Y1232-K1234 PolarHBondContact O-N 3.38Å; Y1232-I1235 WeakPolarHBondContact O-CB 3.39Å; Y1232-I1235 PolarHBondContact O-N 3.15Å; Y1232-K1236 HydrophobicContact CD1-CD 4.32Å; Y1232-K1236 HydrophobicContact CE1-CD 4.24Å; Y1232-K1236 VanDerWaalsContact O-CB 3.28Å; Y1232-K1236 WeakPolarHBondContact O-CB 3.29Å; Y1232-K1236 PolarHBondContact O-N 2.99Å
1233	D	87.7	Confident	78.7	Confident	58.8 Å²	58.8	106.4 Å²	106.4	31%	0.314	55%	0.55	S	S	.	*	H	α-helix	trans	-69.8	-37.7	179.4	-80.4	-39.9	0	0	0	111.7	E1229 S1230 I1235 K1236 R1237	E1229-D1233 HydrophobicContact CG-CB 3.67Å; E1229-D1233 VanDerWaalsContact CG-CB 3.49Å; E1229-D1233 PolarHBondContact O-N 2.94Å; S1230-D1233 VanDerWaalsContact CB-OD2 3.25Å; S1230-D1233 WeakPolarHBondContact CB-OD2 3.31Å; S1230-D1233 PolarHBondContact N-OD2 3.16Å; S1230-D1233 VanDerWaalsContact N-OD2 3.08Å; S1230-D1233 PolarHBondContact O-N 3.07Å; D1233-I1235 VanDerWaalsContact C-N 3.32Å; D1233-I1235 PolarHBondContact O-N 3.09Å; D1233-I1235 VanDerWaalsContact O-N 3.12Å; D1233-K1236 PolarHBondContact O-N 2.96Å; D1233-K1236 VanDerWaalsContact O-N 3.13Å; D1233-K1236 WeakPolarHBondContact OD1-CD 3.31Å; D1233-K1236 WeakPolarHBondContact OD1-CE 3.47Å; D1233-K1236 IonicContact OD1-NZ 3.54Å; D1233-K1236 PolarHBondContact OD1-NZ 2.92Å; D1233-R1237 VanDerWaalsContact O-CB 3.26Å; D1233-R1237 WeakPolarHBondContact O-CB 3.31Å; D1233-R1237 WeakPolarHBondContact O-CG 3.43Å; D1233-R1237 PolarHBondContact O-N 3.2Å; D1233-R1237 IonicContact OD2-CZ 3.12Å; D1233-R1237 IonicContact OD2-NE 2.73Å; D1233-R1237 PolarHBondContact OD2-NE 2.86Å; D1233-R1237 IonicContact OD2-NH2 2.69Å; D1233-R1237 PolarHBondContact OD2-NH2 3.24Å
1234	K	89.8	Confident	81	Confident	120 Å²	120	103.9 Å²	103.9	52%	0.522	52%	0.524	S	S	.	.	H	α-helix	trans	-59.9	-40.5	172.3	-85.7	177.4	179.6	138.9	0	111.9	E1229 S1230 M1231 Y1232 R1238	E1229-K1234 HydrophobicContact CB-CG 4.47Å; E1229-K1234 HydrophobicContact CG-CG 3.8Å; E1229-K1234 VanDerWaalsContact O-CE 3.31Å; E1229-K1234 WeakPolarHBondContact O-CE 3.41Å; E1229-K1234 PolarHBondContact O-NZ 3.1Å; E1229-K1234 WeakPolarHBondContact OE1-CA 3.4Å; E1229-K1234 VanDerWaalsContact OE1-CG 3.28Å; E1229-K1234 WeakPolarHBondContact OE1-CG 3.31Å; E1229-K1234 PolarHBondContact OE1-N 3.17Å; E1229-K1234 VanDerWaalsContact OE2-CE 3.23Å; E1229-K1234 WeakPolarHBondContact OE2-CE 3.27Å; E1229-K1234 VanDerWaalsContact OE2-CG 3.24Å; E1229-K1234 WeakPolarHBondContact OE2-CG 3.35Å; E1229-K1234 IonicContact OE2-NZ 3.2Å; S1230-K1234 VanDerWaalsContact O-CB 3.22Å; S1230-K1234 WeakPolarHBondContact O-CB 3.44Å; S1230-K1234 PolarHBondContact O-N 3.16Å; S1230-K1234 VanDerWaalsContact O-N 3.12Å; M1231-K1234 PolarHBondContact O-N 2.97Å; Y1232-K1234 VanDerWaalsContact C-N 3.34Å; Y1232-K1234 PolarHBondContact O-N 3.38Å; K1234-R1238 VanDerWaalsContact O-CB 3.26Å; K1234-R1238 WeakPolarHBondContact O-CB 3.29Å; K1234-R1238 PolarHBondContact O-N 3.03Å; K1234-R1238 VanDerWaalsContact O-N 3.13Å
1235	I	89.7	Confident	83.1	Confident	98.2 Å²	98.2	104.6 Å²	104.6	50%	0.504	51%	0.51	S	S	.	.	H	α-helix	trans	-68.6	-47.5	174.4	-70.3	164.3	0	0	0	110.7	M1231 Y1232 D1233 R1237 R1238 T1239	M1231-I1235 HydrophobicContact CG-CD1 4.1Å; M1231-I1235 WeakPolarHBondContact O-CB 3.45Å; M1231-I1235 WeakPolarHBondContact O-CD1 3.4Å; M1231-I1235 VanDerWaalsContact O-CG1 3.32Å; M1231-I1235 WeakPolarHBondContact O-CG1 3.29Å; M1231-I1235 PolarHBondContact O-N 2.85Å; Y1232-I1235 WeakPolarHBondContact O-CB 3.39Å; Y1232-I1235 PolarHBondContact O-N 3.15Å; D1233-I1235 VanDerWaalsContact C-N 3.32Å; D1233-I1235 PolarHBondContact O-N 3.09Å; D1233-I1235 VanDerWaalsContact O-N 3.12Å; I1235-R1237 VanDerWaalsContact C-N 3.33Å; I1235-R1237 PolarHBondContact O-N 3.35Å; I1235-R1238 CarbonylContact O-C 3.16Å; I1235-R1238 WeakPolarHBondContact O-CA 3.32Å; I1235-R1238 WeakPolarHBondContact O-CB 3.38Å; I1235-R1238 PolarHBondContact O-N 2.99Å; I1235-R1238 VanDerWaalsContact O-N 3.14Å; I1235-T1239 WeakPolarHBondContact O-CB 3.35Å; I1235-T1239 PolarHBondContact O-N 3.07Å; I1235-T1239 PolarHBondContact O-OG1 3.1Å; I1235-T1239 VanDerWaalsContact O-OG1 3.1Å
1236	K	92.4	Very high	85.2	Confident	104 Å²	104	107.5 Å²	107.5	45%	0.452	51%	0.51	S	S	.	.	H	α-helix	trans	-58.6	-46.2	178.4	-177.2	177.3	171.3	-168.5	0	111.7	Y1232 D1233 R1238 T1239 N1240	Y1232-K1236 HydrophobicContact CD1-CD 4.32Å; Y1232-K1236 HydrophobicContact CE1-CD 4.24Å; Y1232-K1236 VanDerWaalsContact O-CB 3.28Å; Y1232-K1236 WeakPolarHBondContact O-CB 3.29Å; Y1232-K1236 PolarHBondContact O-N 2.99Å; D1233-K1236 PolarHBondContact O-N 2.96Å; D1233-K1236 VanDerWaalsContact O-N 3.13Å; D1233-K1236 WeakPolarHBondContact OD1-CD 3.31Å; D1233-K1236 WeakPolarHBondContact OD1-CE 3.47Å; D1233-K1236 IonicContact OD1-NZ 3.54Å; D1233-K1236 PolarHBondContact OD1-NZ 2.92Å; K1236-R1238 PolarHBondContact O-N 3.44Å; K1236-T1239 PolarHBondContact O-N 3.09Å; K1236-N1240 VanDerWaalsContact O-CB 3.25Å; K1236-N1240 WeakPolarHBondContact O-CB 3.43Å; K1236-N1240 VanDerWaalsContact O-CG 3.26Å; K1236-N1240 PolarHBondContact O-N 3.29Å; K1236-N1240 PolarHBondContact O-ND2 2.67Å; K1236-N1240 PolarHBondContact O-OD1 3.33Å
1237	R	89.2	Confident	87	Confident	152.2 Å²	152.2	109.1 Å²	109.1	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-59.9	-47.3	172.1	-68.7	-160	-111.7	179.3	2.8	111.2	E1229 D1233 I1235 T1239 N1240 K1241	E1229-R1237 VanDerWaalsContact CD-NH2 3.3Å; E1229-R1237 VanDerWaalsContact OE1-CD 3.28Å; E1229-R1237 WeakPolarHBondContact OE1-CD 3.38Å; E1229-R1237 IonicContact OE1-CZ 3.07Å; E1229-R1237 VanDerWaalsContact OE1-CZ 3.27Å; E1229-R1237 IonicContact OE1-NE 3.27Å; E1229-R1237 PolarHBondContact OE1-NE 3.33Å; E1229-R1237 VanDerWaalsContact OE1-NE 3.16Å; E1229-R1237 IonicContact OE1-NH1 3.26Å; E1229-R1237 PolarHBondContact OE1-NH1 3.27Å; E1229-R1237 VanDerWaalsContact OE1-NH1 3.07Å; E1229-R1237 IonicContact OE1-NH2 3.01Å; E1229-R1237 PolarHBondContact OE1-NH2 3.11Å; E1229-R1237 IonicContact OE2-CZ 3.02Å; E1229-R1237 VanDerWaalsContact OE2-CZ 3.26Å; E1229-R1237 IonicContact OE2-NE 3.29Å; E1229-R1237 IonicContact OE2-NH1 3.97Å; E1229-R1237 PolarHBondContact OE2-NH1 3.07Å; E1229-R1237 IonicContact OE2-NH2 3.39Å; E1229-R1237 PolarHBondContact OE2-NH2 3.07Å; D1233-R1237 VanDerWaalsContact O-CB 3.26Å; D1233-R1237 WeakPolarHBondContact O-CB 3.31Å; D1233-R1237 WeakPolarHBondContact O-CG 3.43Å; D1233-R1237 PolarHBondContact O-N 3.2Å; D1233-R1237 IonicContact OD2-CZ 3.12Å; D1233-R1237 IonicContact OD2-NE 2.73Å; D1233-R1237 PolarHBondContact OD2-NE 2.86Å; D1233-R1237 IonicContact OD2-NH2 2.69Å; D1233-R1237 PolarHBondContact OD2-NH2 3.24Å; I1235-R1237 VanDerWaalsContact C-N 3.33Å; I1235-R1237 PolarHBondContact O-N 3.35Å; R1237-T1239 PolarHBondContact O-N 2.83Å; R1237-N1240 PolarHBondContact O-N 2.86Å; R1237-K1241 VanDerWaalsContact O-CB 3.26Å; R1237-K1241 WeakPolarHBondContact O-CB 3.44Å; R1237-K1241 PolarHBondContact O-N 3.29Å; R1237-K1241 VanDerWaalsContact O-N 3.09Å
1238	R	90.8	Very high	88.5	Confident	177.6 Å²	177.6	108.2 Å²	108.2	67%	0.67	49%	0.49	S	S	*	.	H	α-helix	trans	-60.6	-44.5	177.8	-171.3	173.8	-175.8	148.5	1.5	112.6	K1234 I1235 K1236 N1240 K1241 E1242	K1234-R1238 VanDerWaalsContact O-CB 3.26Å; K1234-R1238 WeakPolarHBondContact O-CB 3.29Å; K1234-R1238 PolarHBondContact O-N 3.03Å; K1234-R1238 VanDerWaalsContact O-N 3.13Å; I1235-R1238 CarbonylContact O-C 3.16Å; I1235-R1238 WeakPolarHBondContact O-CA 3.32Å; I1235-R1238 WeakPolarHBondContact O-CB 3.38Å; I1235-R1238 PolarHBondContact O-N 2.99Å; I1235-R1238 VanDerWaalsContact O-N 3.14Å; K1236-R1238 PolarHBondContact O-N 3.44Å; R1238-N1240 PolarHBondContact O-N 2.85Å; R1238-K1241 PolarHBondContact O-N 3.03Å; R1238-E1242 WeakPolarHBondContact O-CB 3.46Å; R1238-E1242 PolarHBondContact O-N 3.06Å
1239	T	92.7	Very high	90	Very high	79.2 Å²	79.2	105.9 Å²	105.9	49%	0.486	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-41.3	179.8	-54.3	0	0	0	0	111.9	I1235 K1236 R1237 K1241 E1242 A1243	I1235-T1239 WeakPolarHBondContact O-CB 3.35Å; I1235-T1239 PolarHBondContact O-N 3.07Å; I1235-T1239 PolarHBondContact O-OG1 3.1Å; I1235-T1239 VanDerWaalsContact O-OG1 3.1Å; K1236-T1239 PolarHBondContact O-N 3.09Å; R1237-T1239 PolarHBondContact O-N 2.83Å; T1239-K1241 VanDerWaalsContact C-N 3.34Å; T1239-K1241 PolarHBondContact O-N 2.96Å; T1239-E1242 PolarHBondContact O-N 3.12Å; T1239-A1243 WeakPolarHBondContact O-CB 3.39Å; T1239-A1243 PolarHBondContact O-N 2.99Å; T1239-A1243 VanDerWaalsContact O-N 3.1Å
1240	N	91.9	Very high	90.8	Very high	96 Å²	96	108.9 Å²	108.9	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-42.4	179.1	-76.8	-8.2	0	0	0	112.6	K1236 R1237 R1238 E1242 A1243 E1244	K1236-N1240 VanDerWaalsContact O-CB 3.25Å; K1236-N1240 WeakPolarHBondContact O-CB 3.43Å; K1236-N1240 VanDerWaalsContact O-CG 3.26Å; K1236-N1240 PolarHBondContact O-N 3.29Å; K1236-N1240 PolarHBondContact O-ND2 2.67Å; K1236-N1240 PolarHBondContact O-OD1 3.33Å; R1237-N1240 PolarHBondContact O-N 2.86Å; R1238-N1240 PolarHBondContact O-N 2.85Å; N1240-E1242 PolarHBondContact O-N 3.16Å; N1240-A1243 WeakPolarHBondContact O-CB 3.4Å; N1240-A1243 PolarHBondContact O-N 3.1Å; N1240-A1243 VanDerWaalsContact O-N 3.1Å; N1240-E1244 WeakPolarHBondContact O-CB 3.43Å; N1240-E1244 PolarHBondContact O-N 2.91Å
1241	K	95.2	Very high	91.3	Very high	143.6 Å²	143.6	111.2 Å²	111.2	62%	0.624	50%	0.501	S	S	*	.	H	α-helix	trans	-63.3	-39.7	174.2	-175.8	177	171.1	-177.2	0	111.7	R1237 R1238 T1239 A1243 E1244 E1245	R1237-K1241 VanDerWaalsContact O-CB 3.26Å; R1237-K1241 WeakPolarHBondContact O-CB 3.44Å; R1237-K1241 PolarHBondContact O-N 3.29Å; R1237-K1241 VanDerWaalsContact O-N 3.09Å; R1238-K1241 PolarHBondContact O-N 3.03Å; T1239-K1241 VanDerWaalsContact C-N 3.34Å; T1239-K1241 PolarHBondContact O-N 2.96Å; K1241-A1243 VanDerWaalsContact C-N 3.32Å; K1241-A1243 PolarHBondContact O-N 3.01Å; K1241-E1244 PolarHBondContact O-N 2.96Å; K1241-E1245 WeakPolarHBondContact O-CB 3.34Å; K1241-E1245 PolarHBondContact O-N 2.96Å
1242	E	92.8	Very high	91.5	Very high	81.2 Å²	81.2	110.2 Å²	110.2	38%	0.379	50%	0.495	S	S	.	.	H	α-helix	trans	-70.5	-28.9	178	-148.4	-166.7	110.8	0	0	112.8	R1238 T1239 N1240 R1246	R1238-E1242 WeakPolarHBondContact O-CB 3.46Å; R1238-E1242 PolarHBondContact O-N 3.06Å; T1239-E1242 PolarHBondContact O-N 3.12Å; N1240-E1242 PolarHBondContact O-N 3.16Å; E1242-R1246 VanDerWaalsContact O-CG 3.31Å; E1242-R1246 WeakPolarHBondContact O-CG 3.36Å; E1242-R1246 PolarHBondContact O-N 3.16Å; E1242-R1246 PolarHBondContact O-NH1 2.91Å; E1242-R1246 VanDerWaalsContact O-NH1 3.13Å; E1242-R1246 IonicContact OE1-CZ 3.05Å; E1242-R1246 IonicContact OE1-NH1 3.14Å; E1242-R1246 PolarHBondContact OE1-NH1 3.16Å; E1242-R1246 IonicContact OE1-NH2 3.31Å; E1242-R1246 PolarHBondContact OE1-NH2 3.05Å
1243	A	92.2	Very high	91.7	Very high	41 Å²	41	107.4 Å²	107.4	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-73.3	-42.1	171.9	0	0	0	0	0	111.7	T1239 N1240 K1241 R1246 R1247	T1239-A1243 WeakPolarHBondContact O-CB 3.39Å; T1239-A1243 PolarHBondContact O-N 2.99Å; T1239-A1243 VanDerWaalsContact O-N 3.1Å; N1240-A1243 WeakPolarHBondContact O-CB 3.4Å; N1240-A1243 PolarHBondContact O-N 3.1Å; N1240-A1243 VanDerWaalsContact O-N 3.1Å; K1241-A1243 VanDerWaalsContact C-N 3.32Å; K1241-A1243 PolarHBondContact O-N 3.01Å; A1243-R1246 WeakPolarHBondContact O-CB 3.42Å; A1243-R1246 PolarHBondContact O-N 3.08Å; A1243-R1247 WeakPolarHBondContact O-CG 3.11Å; A1243-R1247 PolarHBondContact O-N 3.2Å; A1243-R1247 VanDerWaalsContact O-N 3.14Å
1244	E	93.1	Very high	91.7	Very high	76.8 Å²	76.8	110.8 Å²	110.8	36%	0.359	51%	0.505	S	S	.	.	H	α-helix	trans	-67.6	-40.6	176.4	-172	54.3	-143.6	0	0	112	N1240 K1241 R1246 R1247 Q1248	N1240-E1244 WeakPolarHBondContact O-CB 3.43Å; N1240-E1244 PolarHBondContact O-N 2.91Å; K1241-E1244 PolarHBondContact O-N 2.96Å; E1244-R1246 VanDerWaalsContact C-N 3.28Å; E1244-R1246 PolarHBondContact O-N 3.22Å; E1244-R1247 CarbonylContact O-C 3.47Å; E1244-R1247 WeakPolarHBondContact O-CA 3.27Å; E1244-R1247 WeakPolarHBondContact O-CB 3.29Å; E1244-R1247 PolarHBondContact O-N 3.25Å; E1244-R1247 VanDerWaalsContact O-N 3.13Å; E1244-R1247 WeakPolarHBondContact OE1-CD 3.38Å; E1244-R1247 IonicContact OE1-NE 3.52Å; E1244-R1247 IonicContact OE1-NH1 2.75Å; E1244-R1247 WeakPolarHBondContact OE2-CD 3.4Å; E1244-R1247 IonicContact OE2-CZ 3.03Å; E1244-R1247 IonicContact OE2-NE 3.28Å; E1244-R1247 PolarHBondContact OE2-NE 3.08Å; E1244-R1247 IonicContact OE2-NH1 3.6Å; E1244-R1247 PolarHBondContact OE2-NH1 2.81Å; E1244-R1247 IonicContact OE2-NH2 2.89Å; E1244-R1247 PolarHBondContact OE2-NH2 3.12Å; E1244-Q1248 WeakPolarHBondContact O-CG 3.23Å; E1244-Q1248 PolarHBondContact O-N 3.15Å; E1244-Q1248 WeakPolarHBondContact OE1-CG 3.44Å; E1244-Q1248 PolarHBondContact OE1-NE2 3.15Å
1245	E	94.2	Very high	91.5	Very high	81.4 Å²	81.4	107.1 Å²	107.1	38%	0.38	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-35.3	174.1	-161.8	-172.3	149.3	0	0	111.8	K1241 Q1248 R1249	K1241-E1245 WeakPolarHBondContact O-CB 3.34Å; K1241-E1245 PolarHBondContact O-N 2.96Å; E1245-Q1248 PolarHBondContact O-N 3.16Å; E1245-R1249 VanDerWaalsContact CD-NH2 3.3Å; E1245-R1249 WeakPolarHBondContact O-CB 3.35Å; E1245-R1249 VanDerWaalsContact O-CG 3.26Å; E1245-R1249 WeakPolarHBondContact O-CG 3.39Å; E1245-R1249 PolarHBondContact O-N 3.23Å; E1245-R1249 VanDerWaalsContact O-N 3.16Å; E1245-R1249 IonicContact OE1-CZ 3.44Å; E1245-R1249 VanDerWaalsContact OE1-CZ 3.26Å; E1245-R1249 IonicContact OE1-NE 3.35Å; E1245-R1249 PolarHBondContact OE1-NE 3.1Å; E1245-R1249 VanDerWaalsContact OE1-NE 3.16Å; E1245-R1249 IonicContact OE1-NH1 2.69Å; E1245-R1249 PolarHBondContact OE1-NH1 3.35Å; E1245-R1249 IonicContact OE1-NH2 3.07Å; E1245-R1249 PolarHBondContact OE1-NH2 2.97Å
1246	R	91.5	Very high	91.4	Very high	131.6 Å²	131.6	105.8 Å²	105.8	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-41	170.2	-78.6	-174	-174.4	84.2	-2.2	112.4	E1242 A1243 E1244 Q1248 R1249 Q1250	E1242-R1246 VanDerWaalsContact O-CG 3.31Å; E1242-R1246 WeakPolarHBondContact O-CG 3.36Å; E1242-R1246 PolarHBondContact O-N 3.16Å; E1242-R1246 PolarHBondContact O-NH1 2.91Å; E1242-R1246 VanDerWaalsContact O-NH1 3.13Å; E1242-R1246 IonicContact OE1-CZ 3.05Å; E1242-R1246 IonicContact OE1-NH1 3.14Å; E1242-R1246 PolarHBondContact OE1-NH1 3.16Å; E1242-R1246 IonicContact OE1-NH2 3.31Å; E1242-R1246 PolarHBondContact OE1-NH2 3.05Å; A1243-R1246 WeakPolarHBondContact O-CB 3.42Å; A1243-R1246 PolarHBondContact O-N 3.08Å; E1244-R1246 VanDerWaalsContact C-N 3.28Å; E1244-R1246 PolarHBondContact O-N 3.22Å; R1246-Q1248 VanDerWaalsContact C-N 3.33Å; R1246-Q1248 PolarHBondContact O-N 3.18Å; R1246-R1249 PolarHBondContact O-N 3.44Å; R1246-Q1250 WeakPolarHBondContact O-CB 3.2Å; R1246-Q1250 VanDerWaalsContact O-CG 3.31Å; R1246-Q1250 WeakPolarHBondContact O-CG 3.39Å; R1246-Q1250 PolarHBondContact O-N 3.01Å; R1246-Q1250 VanDerWaalsContact O-N 3.08Å
1247	R	93.7	Very high	91.1	Very high	138.6 Å²	138.6	109.5 Å²	109.5	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-45.3	174.9	-87.9	-175.7	-88.9	-144.1	-1	111.3	A1243 E1244 Q1250 L1251	A1243-R1247 WeakPolarHBondContact O-CG 3.11Å; A1243-R1247 PolarHBondContact O-N 3.2Å; A1243-R1247 VanDerWaalsContact O-N 3.14Å; E1244-R1247 CarbonylContact O-C 3.47Å; E1244-R1247 WeakPolarHBondContact O-CA 3.27Å; E1244-R1247 WeakPolarHBondContact O-CB 3.29Å; E1244-R1247 PolarHBondContact O-N 3.25Å; E1244-R1247 VanDerWaalsContact O-N 3.13Å; E1244-R1247 WeakPolarHBondContact OE1-CD 3.38Å; E1244-R1247 IonicContact OE1-NE 3.52Å; E1244-R1247 IonicContact OE1-NH1 2.75Å; E1244-R1247 WeakPolarHBondContact OE2-CD 3.4Å; E1244-R1247 IonicContact OE2-CZ 3.03Å; E1244-R1247 IonicContact OE2-NE 3.28Å; E1244-R1247 PolarHBondContact OE2-NE 3.08Å; E1244-R1247 IonicContact OE2-NH1 3.6Å; E1244-R1247 PolarHBondContact OE2-NH1 2.81Å; E1244-R1247 IonicContact OE2-NH2 2.89Å; E1244-R1247 PolarHBondContact OE2-NH2 3.12Å; R1247-Q1250 WeakPolarHBondContact O-CB 3.34Å; R1247-Q1250 PolarHBondContact O-N 3.14Å; R1247-L1251 HydrophobicContact CG-CD1 4.22Å; R1247-L1251 WeakPolarHBondContact O-CG 3.41Å; R1247-L1251 PolarHBondContact O-N 3.02Å
1248	Q	93.2	Very high	91	Very high	99.6 Å²	99.6	107.8 Å²	107.8	47%	0.465	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-48.7	178	-106.3	138.1	14.1	0	0	111.8	E1244 E1245 R1246 Q1250 L1251 E1252	E1244-Q1248 WeakPolarHBondContact O-CG 3.23Å; E1244-Q1248 PolarHBondContact O-N 3.15Å; E1244-Q1248 WeakPolarHBondContact OE1-CG 3.44Å; E1244-Q1248 PolarHBondContact OE1-NE2 3.15Å; E1245-Q1248 PolarHBondContact O-N 3.16Å; R1246-Q1248 VanDerWaalsContact C-N 3.33Å; R1246-Q1248 PolarHBondContact O-N 3.18Å; Q1248-Q1250 VanDerWaalsContact C-N 3.28Å; Q1248-Q1250 PolarHBondContact O-N 3.21Å; Q1248-L1251 PolarHBondContact O-N 3.17Å; Q1248-L1251 VanDerWaalsContact O-N 3.11Å; Q1248-E1252 PolarHBondContact NE2-OE1 2.88Å; Q1248-E1252 WeakPolarHBondContact O-CG 3.41Å; Q1248-E1252 PolarHBondContact O-N 3.13Å
1249	R	91.9	Very high	90.8	Very high	143.8 Å²	143.8	105 Å²	105	54%	0.543	49%	0.494	S	S	.	.	H	α-helix	trans	-59	-35.4	174.5	-70.9	175	-163.1	-133.7	6.2	112.7	E1245 R1246 T1253	E1245-R1249 VanDerWaalsContact CD-NH2 3.3Å; E1245-R1249 WeakPolarHBondContact O-CB 3.35Å; E1245-R1249 VanDerWaalsContact O-CG 3.26Å; E1245-R1249 WeakPolarHBondContact O-CG 3.39Å; E1245-R1249 PolarHBondContact O-N 3.23Å; E1245-R1249 VanDerWaalsContact O-N 3.16Å; E1245-R1249 IonicContact OE1-CZ 3.44Å; E1245-R1249 VanDerWaalsContact OE1-CZ 3.26Å; E1245-R1249 IonicContact OE1-NE 3.35Å; E1245-R1249 PolarHBondContact OE1-NE 3.1Å; E1245-R1249 VanDerWaalsContact OE1-NE 3.16Å; E1245-R1249 IonicContact OE1-NH1 2.69Å; E1245-R1249 PolarHBondContact OE1-NH1 3.35Å; E1245-R1249 IonicContact OE1-NH2 3.07Å; E1245-R1249 PolarHBondContact OE1-NH2 2.97Å; R1246-R1249 PolarHBondContact O-N 3.44Å; R1249-T1253 WeakPolarHBondContact O-CB 3.28Å; R1249-T1253 PolarHBondContact O-N 3.12Å; R1249-T1253 VanDerWaalsContact O-N 3.07Å; R1249-T1253 PolarHBondContact O-OG1 2.98Å
1250	Q	92.1	Very high	90.6	Very high	114.6 Å²	114.6	105.3 Å²	105.3	54%	0.536	49%	0.492	S	S	.	.	H	α-helix	trans	-67.3	-46.2	173	-75	176.2	10.3	0	0	111.9	R1246 R1247 Q1248 E1252 T1253 F1254	R1246-Q1250 WeakPolarHBondContact O-CB 3.2Å; R1246-Q1250 VanDerWaalsContact O-CG 3.31Å; R1246-Q1250 WeakPolarHBondContact O-CG 3.39Å; R1246-Q1250 PolarHBondContact O-N 3.01Å; R1246-Q1250 VanDerWaalsContact O-N 3.08Å; R1247-Q1250 WeakPolarHBondContact O-CB 3.34Å; R1247-Q1250 PolarHBondContact O-N 3.14Å; Q1248-Q1250 VanDerWaalsContact C-N 3.28Å; Q1248-Q1250 PolarHBondContact O-N 3.21Å; Q1250-E1252 VanDerWaalsContact C-N 3.33Å; Q1250-E1252 PolarHBondContact O-N 3.12Å; Q1250-T1253 CarbonylContact O-C 3.41Å; Q1250-T1253 WeakPolarHBondContact O-CA 3.24Å; Q1250-T1253 WeakPolarHBondContact O-CB 3.36Å; Q1250-T1253 PolarHBondContact O-N 3.02Å; Q1250-T1253 VanDerWaalsContact O-N 3.12Å; Q1250-F1254 HydrophobicContact CB-CE2 4.37Å; Q1250-F1254 WeakPolarHBondContact O-CD2 3.44Å; Q1250-F1254 PolarHBondContact O-N 3.12Å
1251	L	92.4	Very high	90.1	Very high	111.6 Å²	111.6	103 Å²	103	58%	0.584	48%	0.484	S	S	*	.	H	α-helix	trans	-61	-39.7	177.1	-70.9	169.6	0	0	0	112.2	R1247 Q1248 T1253 F1254 S1255	R1247-L1251 HydrophobicContact CG-CD1 4.22Å; R1247-L1251 WeakPolarHBondContact O-CG 3.41Å; R1247-L1251 PolarHBondContact O-N 3.02Å; Q1248-L1251 PolarHBondContact O-N 3.17Å; Q1248-L1251 VanDerWaalsContact O-N 3.11Å; L1251-T1253 VanDerWaalsContact C-N 3.35Å; L1251-F1254 PolarHBondContact O-N 3.04Å; L1251-S1255 WeakPolarHBondContact O-CB 3.35Å; L1251-S1255 PolarHBondContact O-N 2.96Å
1252	E	91	Very high	89.6	Confident	118 Å²	118	102.8 Å²	102.8	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-64.2	-40.5	172.3	-71.2	177.4	169.7	0	0	112.2	Q1248 Q1250 F1254 S1255 T1256	Q1248-E1252 PolarHBondContact NE2-OE1 2.88Å; Q1248-E1252 WeakPolarHBondContact O-CG 3.41Å; Q1248-E1252 PolarHBondContact O-N 3.13Å; Q1250-E1252 VanDerWaalsContact C-N 3.33Å; Q1250-E1252 PolarHBondContact O-N 3.12Å; E1252-F1254 VanDerWaalsContact C-N 3.32Å; E1252-F1254 PolarHBondContact O-N 3.32Å; E1252-S1255 PolarHBondContact O-N 3.32Å; E1252-T1256 WeakPolarHBondContact O-CB 3.32Å; E1252-T1256 WeakPolarHBondContact O-CG2 3.39Å; E1252-T1256 PolarHBondContact O-N 3.12Å; E1252-T1256 PolarHBondContact O-OG1 3.15Å
1253	T	89.1	Confident	89.3	Confident	88.2 Å²	88.2	105.9 Å²	105.9	54%	0.541	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-40	174.8	-57.8	0	0	0	0	111.6	R1249 Q1250 L1251 T1256 R1257	R1249-T1253 WeakPolarHBondContact O-CB 3.28Å; R1249-T1253 PolarHBondContact O-N 3.12Å; R1249-T1253 VanDerWaalsContact O-N 3.07Å; R1249-T1253 PolarHBondContact O-OG1 2.98Å; Q1250-T1253 CarbonylContact O-C 3.41Å; Q1250-T1253 WeakPolarHBondContact O-CA 3.24Å; Q1250-T1253 WeakPolarHBondContact O-CB 3.36Å; Q1250-T1253 PolarHBondContact O-N 3.02Å; Q1250-T1253 VanDerWaalsContact O-N 3.12Å; L1251-T1253 VanDerWaalsContact C-N 3.35Å; T1253-T1256 WeakPolarHBondContact CA-OG1 3.26Å; T1253-T1256 PolarHBondContact O-OG1 3.21Å; T1253-T1256 VanDerWaalsContact O-OG1 3.09Å; T1253-R1257 VanDerWaalsContact O-CB 3.25Å; T1253-R1257 WeakPolarHBondContact O-CB 3.4Å; T1253-R1257 PolarHBondContact O-N 3.18Å
1254	F	87.2	Confident	88.8	Confident	130.2 Å²	130.2	109.1 Å²	109.1	57%	0.571	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-44.6	172.7	-77.6	-67.7	0	0	0	112	Q1250 L1251 E1252 T1256 R1257 E1258	Q1250-F1254 HydrophobicContact CB-CE2 4.37Å; Q1250-F1254 WeakPolarHBondContact O-CD2 3.44Å; Q1250-F1254 PolarHBondContact O-N 3.12Å; L1251-F1254 PolarHBondContact O-N 3.04Å; E1252-F1254 VanDerWaalsContact C-N 3.32Å; E1252-F1254 PolarHBondContact O-N 3.32Å; F1254-T1256 PolarHBondContact O-N 3.21Å; F1254-R1257 PolarHBondContact O-N 3.03Å; F1254-E1258 WeakPolarHBondContact O-CB 3.33Å; F1254-E1258 PolarHBondContact O-N 3.1Å
1255	S	86.2	Confident	88.1	Confident	42.4 Å²	42.4	113.6 Å²	113.6	30%	0.297	52%	0.517	S	S	.	.	H	α-helix	trans	-62.8	-41.9	178.9	-169.7	0	0	0	0	112.4	L1251 E1252 E1258 K1259	L1251-S1255 WeakPolarHBondContact O-CB 3.35Å; L1251-S1255 PolarHBondContact O-N 2.96Å; E1252-S1255 PolarHBondContact O-N 3.32Å; S1255-E1258 PolarHBondContact O-N 3.05Å; S1255-K1259 WeakPolarHBondContact O-CB 3.38Å; S1255-K1259 VanDerWaalsContact O-CD 3.27Å; S1255-K1259 WeakPolarHBondContact O-CD 3.34Å; S1255-K1259 VanDerWaalsContact O-CG 3.22Å; S1255-K1259 WeakPolarHBondContact O-CG 3.35Å; S1255-K1259 PolarHBondContact O-N 3.09Å; S1255-K1259 WeakPolarHBondContact OG-CE 3.42Å; S1255-K1259 PolarHBondContact OG-NZ 3.42Å; S1255-K1259 VanDerWaalsContact OG-NZ 3.08Å
1256	T	86.2	Confident	87.4	Confident	70 Å²	70	117.3 Å²	117.3	43%	0.429	53%	0.531	S	S	.	.	H	α-helix	trans	-68.6	-41	175.7	50	0	0	0	0	111.8	E1252 T1253 F1254 E1258 K1259 N1260	E1252-T1256 WeakPolarHBondContact O-CB 3.32Å; E1252-T1256 WeakPolarHBondContact O-CG2 3.39Å; E1252-T1256 PolarHBondContact O-N 3.12Å; E1252-T1256 PolarHBondContact O-OG1 3.15Å; T1253-T1256 WeakPolarHBondContact CA-OG1 3.26Å; T1253-T1256 PolarHBondContact O-OG1 3.21Å; T1253-T1256 VanDerWaalsContact O-OG1 3.09Å; F1254-T1256 PolarHBondContact O-N 3.21Å; T1256-E1258 VanDerWaalsContact C-N 3.35Å; T1256-E1258 PolarHBondContact O-N 2.97Å; T1256-K1259 PolarHBondContact O-N 3.08Å; T1256-N1260 WeakPolarHBondContact O-CB 3.3Å; T1256-N1260 VanDerWaalsContact O-CG 3.26Å; T1256-N1260 PolarHBondContact O-N 3.19Å; T1256-N1260 PolarHBondContact O-ND2 3.04Å
1257	R	85.7	Confident	86.8	Confident	182 Å²	182	117.8 Å²	117.8	69%	0.687	54%	0.537	S	S	*	.	H	α-helix	trans	-61.2	-41.6	172.7	-172.1	176.7	-177.3	-177.6	1	112.2	T1253 F1254 N1260 S1261	T1253-R1257 VanDerWaalsContact O-CB 3.25Å; T1253-R1257 WeakPolarHBondContact O-CB 3.4Å; T1253-R1257 PolarHBondContact O-N 3.18Å; F1254-R1257 PolarHBondContact O-N 3.03Å; R1257-N1260 PolarHBondContact O-N 3.11Å; R1257-S1261 VanDerWaalsContact O-CB 3.29Å; R1257-S1261 WeakPolarHBondContact O-CB 3.23Å; R1257-S1261 PolarHBondContact O-N 3.3Å
1258	E	87.2	Confident	85.8	Confident	115.4 Å²	115.4	115.1 Å²	115.1	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-67.2	-47.3	176.2	-162.3	-148.4	154.5	0	0	111.5	F1254 S1255 T1256 N1260 S1261 K1262	F1254-E1258 WeakPolarHBondContact O-CB 3.33Å; F1254-E1258 PolarHBondContact O-N 3.1Å; S1255-E1258 PolarHBondContact O-N 3.05Å; T1256-E1258 VanDerWaalsContact C-N 3.35Å; T1256-E1258 PolarHBondContact O-N 2.97Å; E1258-N1260 VanDerWaalsContact C-N 3.27Å; E1258-N1260 PolarHBondContact O-N 3.14Å; E1258-S1261 WeakPolarHBondContact O-CB 3.09Å; E1258-S1261 PolarHBondContact O-N 3.12Å; E1258-S1261 VanDerWaalsContact O-N 3.15Å; E1258-K1262 VanDerWaalsContact CD-CE 3.48Å; E1258-K1262 HydrophobicContact CG-CD 4.49Å; E1258-K1262 VanDerWaalsContact O-CB 3.29Å; E1258-K1262 WeakPolarHBondContact O-CB 3.29Å; E1258-K1262 WeakPolarHBondContact O-CG 3.47Å; E1258-K1262 PolarHBondContact O-N 3.2Å; E1258-K1262 WeakPolarHBondContact OE1-CE 3.47Å; E1258-K1262 IonicContact OE1-NZ 2.75Å; E1258-K1262 PolarHBondContact OE1-NZ 3.1Å; E1258-K1262 IonicContact OE2-NZ 2.83Å; E1258-K1262 PolarHBondContact OE2-NZ 3.46Å
1259	K	88.4	Confident	84.5	Confident	120.4 Å²	120.4	117.6 Å²	117.6	52%	0.523	54%	0.542	S	S	.	.	H	α-helix	trans	-56.1	-40.8	174.8	-75.3	161.8	-179.3	155.7	0	111.5	S1255 T1256 K1262 K1263	S1255-K1259 WeakPolarHBondContact O-CB 3.38Å; S1255-K1259 VanDerWaalsContact O-CD 3.27Å; S1255-K1259 WeakPolarHBondContact O-CD 3.34Å; S1255-K1259 VanDerWaalsContact O-CG 3.22Å; S1255-K1259 WeakPolarHBondContact O-CG 3.35Å; S1255-K1259 PolarHBondContact O-N 3.09Å; S1255-K1259 WeakPolarHBondContact OG-CE 3.42Å; S1255-K1259 PolarHBondContact OG-NZ 3.42Å; S1255-K1259 VanDerWaalsContact OG-NZ 3.08Å; T1256-K1259 PolarHBondContact O-N 3.08Å; K1259-K1262 PolarHBondContact O-N 3.07Å; K1259-K1263 WeakPolarHBondContact O-CB 3.4Å; K1259-K1263 VanDerWaalsContact O-CG 3.29Å; K1259-K1263 WeakPolarHBondContact O-CG 3.34Å; K1259-K1263 PolarHBondContact O-N 3.27Å
1260	N	86.9	Confident	83.1	Confident	84.4 Å²	84.4	114.5 Å²	114.5	45%	0.451	54%	0.543	S	S	.	.	H	α-helix	trans	-71.9	-40.5	176.9	-72.1	-15.5	0	0	0	112.5	T1256 R1257 E1258 K1262 K1263 Q1264	T1256-N1260 WeakPolarHBondContact O-CB 3.3Å; T1256-N1260 VanDerWaalsContact O-CG 3.26Å; T1256-N1260 PolarHBondContact O-N 3.19Å; T1256-N1260 PolarHBondContact O-ND2 3.04Å; R1257-N1260 PolarHBondContact O-N 3.11Å; E1258-N1260 VanDerWaalsContact C-N 3.27Å; E1258-N1260 PolarHBondContact O-N 3.14Å; N1260-K1262 VanDerWaalsContact C-N 3.32Å; N1260-K1262 PolarHBondContact O-N 3.13Å; N1260-K1263 WeakPolarHBondContact O-CB 3.34Å; N1260-K1263 PolarHBondContact O-N 3.03Å; N1260-K1263 PolarHBondContact OD1-NZ 3.28Å; N1260-Q1264 WeakPolarHBondContact O-CB 3.3Å; N1260-Q1264 PolarHBondContact O-N 3.1Å
1261	S	82.4	Confident	81.4	Confident	48.2 Å²	48.2	114.6 Å²	114.6	34%	0.337	55%	0.547	S	S	.	.	H	α-helix	trans	-60.8	-40.4	172	-176.8	0	0	0	0	112.2	R1257 E1258 Q1264 R1265	R1257-S1261 VanDerWaalsContact O-CB 3.29Å; R1257-S1261 WeakPolarHBondContact O-CB 3.23Å; R1257-S1261 PolarHBondContact O-N 3.3Å; E1258-S1261 WeakPolarHBondContact O-CB 3.09Å; E1258-S1261 PolarHBondContact O-N 3.12Å; E1258-S1261 VanDerWaalsContact O-N 3.15Å; S1261-Q1264 PolarHBondContact O-N 3.24Å; S1261-R1265 WeakPolarHBondContact O-CB 3.39Å; S1261-R1265 WeakPolarHBondContact O-CG 3.34Å; S1261-R1265 PolarHBondContact O-N 3.24Å
1262	K	84.6	Confident	79.4	Confident	138.6 Å²	138.6	116.3 Å²	116.3	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-67	-39.3	176	-145.4	169.6	-168.9	163.9	0	112	E1258 K1259 N1260 K1266	E1258-K1262 VanDerWaalsContact CD-CE 3.48Å; E1258-K1262 HydrophobicContact CG-CD 4.49Å; E1258-K1262 VanDerWaalsContact O-CB 3.29Å; E1258-K1262 WeakPolarHBondContact O-CB 3.29Å; E1258-K1262 WeakPolarHBondContact O-CG 3.47Å; E1258-K1262 PolarHBondContact O-N 3.2Å; E1258-K1262 WeakPolarHBondContact OE1-CE 3.47Å; E1258-K1262 IonicContact OE1-NZ 2.75Å; E1258-K1262 PolarHBondContact OE1-NZ 3.1Å; E1258-K1262 IonicContact OE2-NZ 2.83Å; E1258-K1262 PolarHBondContact OE2-NZ 3.46Å; K1259-K1262 PolarHBondContact O-N 3.07Å; N1260-K1262 VanDerWaalsContact C-N 3.32Å; N1260-K1262 PolarHBondContact O-N 3.13Å; K1262-K1266 WeakPolarHBondContact O-CB 3.35Å; K1262-K1266 PolarHBondContact O-N 3.08Å; K1262-K1266 VanDerWaalsContact O-N 3.11Å
1263	K	85.3	Confident	77.1	Confident	146.4 Å²	146.4	115 Å²	115	64%	0.637	55%	0.553	S	S	*	*	H	α-helix	trans	-62.5	-44.7	169.9	-75	174.2	-178.9	177.3	0	111.8	K1259 N1260 K1266 K1267	K1259-K1263 WeakPolarHBondContact O-CB 3.4Å; K1259-K1263 VanDerWaalsContact O-CG 3.29Å; K1259-K1263 WeakPolarHBondContact O-CG 3.34Å; K1259-K1263 PolarHBondContact O-N 3.27Å; N1260-K1263 WeakPolarHBondContact O-CB 3.34Å; N1260-K1263 PolarHBondContact O-N 3.03Å; N1260-K1263 PolarHBondContact OD1-NZ 3.28Å; K1263-K1266 PolarHBondContact O-N 3.16Å; K1263-K1267 WeakPolarHBondContact O-CB 3.41Å; K1263-K1267 PolarHBondContact O-N 3.16Å
1264	Q	81.5	Confident	75.2	Confident	108.4 Å²	108.4	115.7 Å²	115.7	51%	0.507	56%	0.559	S	S	.	*	H	α-helix	trans	-61.8	-50.8	177.5	179.2	177.3	-13.8	0	0	111.4	N1260 S1261 K1266 K1267 E1268	N1260-Q1264 WeakPolarHBondContact O-CB 3.3Å; N1260-Q1264 PolarHBondContact O-N 3.1Å; S1261-Q1264 PolarHBondContact O-N 3.24Å; Q1264-K1266 VanDerWaalsContact C-N 3.28Å; Q1264-K1266 PolarHBondContact O-N 2.96Å; Q1264-K1267 CarbonylContact O-C 3.36Å; Q1264-K1267 WeakPolarHBondContact O-CA 3.32Å; Q1264-K1267 WeakPolarHBondContact O-CB 3.39Å; Q1264-K1267 PolarHBondContact O-N 2.97Å; Q1264-E1268 HydrophobicContact CG-CG 4.4Å; Q1264-E1268 VanDerWaalsContact CG-OE1 3.26Å; Q1264-E1268 WeakPolarHBondContact CG-OE1 3.26Å; Q1264-E1268 PolarHBondContact NE2-OE1 3.35Å; Q1264-E1268 WeakPolarHBondContact O-CG 3.29Å; Q1264-E1268 PolarHBondContact O-N 3.21Å
1265	R	78.4	Confident	73	Confident	171.8 Å²	171.8	114.9 Å²	114.9	65%	0.648	57%	0.567	S	S	*	*	H	α-helix	trans	-56.8	-39.3	176.4	-73.9	177.3	176.1	-175.9	-0.8	112.4	S1261 K1267 E1268 Q1269	S1261-R1265 WeakPolarHBondContact O-CB 3.39Å; S1261-R1265 WeakPolarHBondContact O-CG 3.34Å; S1261-R1265 PolarHBondContact O-N 3.24Å; R1265-K1267 PolarHBondContact O-N 2.86Å; R1265-E1268 PolarHBondContact O-N 3.15Å; R1265-Q1269 WeakPolarHBondContact O-CB 3.24Å; R1265-Q1269 WeakPolarHBondContact O-CG 3.39Å; R1265-Q1269 PolarHBondContact O-N 2.96Å
1266	K	79.6	Confident	70.8	Confident	158.8 Å²	158.8	118.1 Å²	118.1	69%	0.69	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-37.2	174.9	-167.2	172.4	-177.5	178.8	0	112.5	K1262 K1263 Q1264 Q1269 S1270	K1262-K1266 WeakPolarHBondContact O-CB 3.35Å; K1262-K1266 PolarHBondContact O-N 3.08Å; K1262-K1266 VanDerWaalsContact O-N 3.11Å; K1263-K1266 PolarHBondContact O-N 3.16Å; Q1264-K1266 VanDerWaalsContact C-N 3.28Å; Q1264-K1266 PolarHBondContact O-N 2.96Å; K1266-Q1269 PolarHBondContact O-N 3.14Å; K1266-S1270 PolarHBondContact O-N 3.09Å; K1266-S1270 PolarHBondContact O-OG 3.35Å
1267	K	79.2	Confident	68.3	Low	141.4 Å²	141.4	119.6 Å²	119.6	62%	0.615	60%	0.601	S	S	*	*	H	α-helix	trans	-69	-37.8	174	-170.3	178	179.9	-177.5	0	112.3	K1263 Q1264 R1265 Q1269 S1270 N1271	K1263-K1267 WeakPolarHBondContact O-CB 3.41Å; K1263-K1267 PolarHBondContact O-N 3.16Å; Q1264-K1267 CarbonylContact O-C 3.36Å; Q1264-K1267 WeakPolarHBondContact O-CA 3.32Å; Q1264-K1267 WeakPolarHBondContact O-CB 3.39Å; Q1264-K1267 PolarHBondContact O-N 2.97Å; R1265-K1267 PolarHBondContact O-N 2.86Å; K1267-Q1269 VanDerWaalsContact C-N 3.33Å; K1267-Q1269 PolarHBondContact O-N 2.97Å; K1267-S1270 WeakPolarHBondContact CA-OG 3.36Å; K1267-S1270 PolarHBondContact O-N 2.96Å; K1267-S1270 VanDerWaalsContact O-N 3.16Å; K1267-S1270 PolarHBondContact O-OG 3.2Å; K1267-S1270 VanDerWaalsContact O-OG 3.08Å; K1267-N1271 VanDerWaalsContact O-CB 3.3Å; K1267-N1271 WeakPolarHBondContact O-CB 3.48Å; K1267-N1271 VanDerWaalsContact O-CG 3.29Å; K1267-N1271 PolarHBondContact O-N 2.96Å; K1267-N1271 VanDerWaalsContact O-N 3.1Å; K1267-N1271 PolarHBondContact O-OD1 2.96Å; K1267-N1271 VanDerWaalsContact O-OD1 3.09Å
1268	E	72.4	Confident	65.9	Low	83.4 Å²	83.4	117.7 Å²	117.7	39%	0.39	60%	0.604	S	S	.	*	H	α-helix	trans	-68.5	-32.6	174.5	-72.9	174.9	-171.2	0	0	112.4	Q1264 R1265 N1271 K1272 S1398	Q1264-E1268 HydrophobicContact CG-CG 4.4Å; Q1264-E1268 VanDerWaalsContact CG-OE1 3.26Å; Q1264-E1268 WeakPolarHBondContact CG-OE1 3.26Å; Q1264-E1268 PolarHBondContact NE2-OE1 3.35Å; Q1264-E1268 WeakPolarHBondContact O-CG 3.29Å; Q1264-E1268 PolarHBondContact O-N 3.21Å; R1265-E1268 PolarHBondContact O-N 3.15Å; E1268-N1271 PolarHBondContact O-N 2.74Å; E1268-K1272 VanDerWaalsContact O-CB 3.27Å; E1268-K1272 WeakPolarHBondContact O-CB 3.36Å; E1268-K1272 VanDerWaalsContact O-CD 3.23Å; E1268-K1272 WeakPolarHBondContact O-CD 3.47Å; E1268-K1272 WeakPolarHBondContact O-CG 3.29Å; E1268-K1272 PolarHBondContact O-N 3.02Å; E1268-K1272 IonicContact OE2-NZ 3.78Å; E1268-K1272 PolarHBondContact OE2-NZ 3.44Å; E1268-S1398 VanDerWaalsContact CD-OG 3.26Å; E1268-S1398 WeakPolarHBondContact OE1-CB 3.42Å; E1268-S1398 PolarHBondContact OE1-OG 3.02Å; E1268-S1398 PolarHBondContact OE2-OG 2.93Å
1269	Q	66.5	Low	63.7	Low	152.6 Å²	152.6	118 Å²	118	71%	0.713	61%	0.608	S	S	*	*	H	α-helix	trans	-72.4	-36.3	170.9	-76.8	-178.5	-28.5	0	0	112.9	R1265 K1266 K1267 N1271 K1272	R1265-Q1269 WeakPolarHBondContact O-CB 3.24Å; R1265-Q1269 WeakPolarHBondContact O-CG 3.39Å; R1265-Q1269 PolarHBondContact O-N 2.96Å; K1266-Q1269 PolarHBondContact O-N 3.14Å; K1267-Q1269 VanDerWaalsContact C-N 3.33Å; K1267-Q1269 PolarHBondContact O-N 2.97Å; Q1269-N1271 VanDerWaalsContact C-N 3.26Å; Q1269-N1271 PolarHBondContact O-N 2.95Å; Q1269-K1272 PolarHBondContact O-N 2.84Å
1270	S	62.1	Low	61.4	Low	78.6 Å²	78.6	118.4 Å²	118.4	55%	0.55	62%	0.616	S	S	.	*	H	α-helix	trans	-68	-24.9	176.6	64.6	0	0	0	0	113.7	K1266 K1267 K1272 S1273	K1266-S1270 PolarHBondContact O-N 3.09Å; K1266-S1270 PolarHBondContact O-OG 3.35Å; K1267-S1270 WeakPolarHBondContact CA-OG 3.36Å; K1267-S1270 PolarHBondContact O-N 2.96Å; K1267-S1270 VanDerWaalsContact O-N 3.16Å; K1267-S1270 PolarHBondContact O-OG 3.2Å; K1267-S1270 VanDerWaalsContact O-OG 3.08Å; S1270-K1272 VanDerWaalsContact C-N 3.27Å; S1270-K1272 PolarHBondContact O-N 3.12Å; S1270-S1273 PolarHBondContact O-OG 3.24Å; S1270-S1273 VanDerWaalsContact O-OG 3.07Å
1271	N	57.5	Low	59	Low	116.4 Å²	116.4	121.5 Å²	121.5	62%	0.622	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	6.7	-177.9	-69.8	15	0	0	0	113.4	K1267 E1268 Q1269 S1273	K1267-N1271 VanDerWaalsContact O-CB 3.3Å; K1267-N1271 WeakPolarHBondContact O-CB 3.48Å; K1267-N1271 VanDerWaalsContact O-CG 3.29Å; K1267-N1271 PolarHBondContact O-N 2.96Å; K1267-N1271 VanDerWaalsContact O-N 3.1Å; K1267-N1271 PolarHBondContact O-OD1 2.96Å; K1267-N1271 VanDerWaalsContact O-OD1 3.09Å; E1268-N1271 PolarHBondContact O-N 2.74Å; Q1269-N1271 VanDerWaalsContact C-N 3.26Å; Q1269-N1271 PolarHBondContact O-N 2.95Å; N1271-S1273 VanDerWaalsContact C-N 3.33Å; N1271-S1273 PolarHBondContact O-N 3.3Å; N1271-S1273 VanDerWaalsContact O-N 3.13Å
1272	K	50.4	Low	57	Low	146.2 Å²	146.2	125.8 Å²	125.8	64%	0.636	65%	0.65	S	S	*	*			trans	-106.5	74.6	172.7	-77.1	176.8	173.3	179	0	110.6	E1268 Q1269 S1270 S1400 E1402	E1268-K1272 VanDerWaalsContact O-CB 3.27Å; E1268-K1272 WeakPolarHBondContact O-CB 3.36Å; E1268-K1272 VanDerWaalsContact O-CD 3.23Å; E1268-K1272 WeakPolarHBondContact O-CD 3.47Å; E1268-K1272 WeakPolarHBondContact O-CG 3.29Å; E1268-K1272 PolarHBondContact O-N 3.02Å; E1268-K1272 IonicContact OE2-NZ 3.78Å; E1268-K1272 PolarHBondContact OE2-NZ 3.44Å; Q1269-K1272 PolarHBondContact O-N 2.84Å; S1270-K1272 VanDerWaalsContact C-N 3.27Å; S1270-K1272 PolarHBondContact O-N 3.12Å; K1272-S1400 WeakPolarHBondContact CE-OG 3.33Å; K1272-S1400 VanDerWaalsContact NZ-C 3.3Å; K1272-S1400 PolarHBondContact NZ-O 3.46Å; K1272-S1400 PolarHBondContact NZ-OG 2.75Å; K1272-E1402 IonicContact NZ-OE1 3.62Å; K1272-E1402 PolarHBondContact NZ-OE1 2.95Å
1273	S	43	Very low	54.7	Low	90.2 Å²	90.2	124.1 Å²	124.1	63%	0.631	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-69.5	137.4	164.2	-1.1	0	0	0	0	109.6	S1270 N1271	S1270-S1273 PolarHBondContact O-OG 3.24Å; S1270-S1273 VanDerWaalsContact O-OG 3.07Å; N1271-S1273 VanDerWaalsContact C-N 3.33Å; N1271-S1273 PolarHBondContact O-N 3.3Å; N1271-S1273 VanDerWaalsContact O-N 3.13Å
1274	P	47.9	Very low	52.3	Low	103.2 Å²	103.2	123.9 Å²	123.9	67%	0.67	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-69.5	146.7	-179.3	21.1	-23.4	0	0	0	111.2	P1276 H1665 R1666	P1274-P1276 VanDerWaalsContact O-CD 3.28Å; P1274-P1276 WeakPolarHBondContact O-CD 3.46Å; P1274-P1276 VanDerWaalsContact O-N 3.13Å; P1274-H1665 VanDerWaalsContact C-CB 3.49Å; P1274-H1665 HydrophobicContact CB-CB 3.77Å; P1274-H1665 HydrophobicContact CG-CB 4.21Å; P1274-H1665 WeakPolarHBondContact O-CB 3.34Å; P1274-R1666 CarbonylContact O-C 3.1Å; P1274-R1666 WeakPolarHBondContact O-CA 3.38Å; P1274-R1666 PolarHBondContact O-N 2.74Å
1275	P	41.3	Very low	50.1	Low	114 Å²	114	123.3 Å²	123.3	74%	0.74	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-66.6	134.4	178.1	27.9	-34.2	0	0	0	110.7	S1277 H1665	P1275-S1277 PolarHBondContact O-N 3Å; P1275-H1665 PolarHBondContact O-CD2 2.51Å; P1275-H1665 VanDerWaalsContact O-CD2 3.24Å
1276	P	40.4	Very low	48.1	Very low	109.4 Å²	109.4	119.7 Å²	119.7	71%	0.71	67%	0.667	S	S	*	*			trans	-78.5	132.9	-174.7	30.2	-33.9	0	0	0	111.9	P1274 N1278 H1665	P1274-P1276 VanDerWaalsContact O-CD 3.28Å; P1274-P1276 WeakPolarHBondContact O-CD 3.46Å; P1274-P1276 VanDerWaalsContact O-N 3.13Å; P1276-N1278 PolarHBondContact O-N 2.97Å; P1276-H1665 HydrophobicContact CB-CB 4.04Å; P1276-H1665 WeakPolarHBondContact CB-O 3.06Å; P1276-H1665 WeakPolarHBondContact CG-O 2.99Å
1277	S	33	Very low	46.2	Very low	102 Å²	102	117.7 Å²	117.7	71%	0.713	67%	0.67	S	S	*	*			trans	-80.4	107.4	170.5	48.8	0	0	0	0	110.7	P1275 I1279	P1275-S1277 PolarHBondContact O-N 3Å; S1277-I1279 PolarHBondContact O-N 3.34Å
1278	N	36	Very low	44.2	Very low	142.6 Å²	142.6	116.8 Å²	116.8	76%	0.763	67%	0.672	S	S	*	*			trans	-104.2	123.7	164.9	-152.1	-0.5	0	0	0	108.9	P1276 N1280	P1276-N1278 PolarHBondContact O-N 2.97Å; N1278-N1280 PolarHBondContact O-N 2.72Å
1279	I	39.9	Very low	42.5	Very low	122 Å²	122	117.4 Å²	117.4	63%	0.626	69%	0.686	S	S	*	*			trans	-97.6	126.1	165.8	-63.8	169.7	0	0	0	109.1	S1277 N1281	S1277-I1279 PolarHBondContact O-N 3.34Å; I1279-N1281 PolarHBondContact O-N 2.7Å
1280	N	40.4	Very low	41	Very low	128 Å²	128	118.5 Å²	118.5	68%	0.684	69%	0.688	S	S	*	*			trans	-102.6	144.5	158.9	-77.7	-26.4	0	0	0	113.3	N1278 I1282	N1278-N1280 PolarHBondContact O-N 2.72Å; N1280-I1282 VanDerWaalsContact C-N 3.35Å; N1280-I1282 HydrophobicContact CB-CD1 4.1Å; N1280-I1282 HydrophobicContact CB-CG1 4.2Å; N1280-I1282 PolarHBondContact O-N 3.31Å
1281	N	38	Very low	39.7	Very low	148.6 Å²	148.6	121.5 Å²	121.5	80%	0.795	70%	0.697	S	S	*	*			trans	-32.1	134.4	156.3	-63.1	-24.2	0	0	0	114.2	I1279	I1279-N1281 PolarHBondContact O-N 2.7Å
1282	I	38.6	Very low	38.6	Very low	138.2 Å²	138.2	121.9 Å²	121.9	71%	0.709	70%	0.699	S	S	*	*			trans	-152.3	142	154.9	-50.8	172.7	0	0	0	108.5	N1280 I1284	N1280-I1282 VanDerWaalsContact C-N 3.35Å; N1280-I1282 HydrophobicContact CB-CD1 4.1Å; N1280-I1282 HydrophobicContact CB-CG1 4.2Å; N1280-I1282 PolarHBondContact O-N 3.31Å; I1282-I1284 HydrophobicContact CG2-CD1 3.99Å; I1282-I1284 HydrophobicContact CG2-CG1 3.87Å; I1282-I1284 PolarHBondContact O-N 2.73Å; I1282-I1284 VanDerWaalsContact O-N 3.13Å
1283	P	37.5	Very low	37.9	Very low	103.2 Å²	103.2	121.1 Å²	121.1	67%	0.67	70%	0.697	S	S	*	*				-114.3	145.1	110.9	30	-16.8	0	0	0	112.9	I1745 H1746	P1283-I1745 CarbonylContact C-O 3.2Å; P1283-I1745 VanDerWaalsContact C-O 3.26Å; P1283-H1746 VanDerWaalsContact CA-O 3.25Å; P1283-H1746 WeakPolarHBondContact CA-O 3.39Å; P1283-H1746 WeakPolarHBondContact CB-O 3.22Å
1284	I	34.6	Very low	37.5	Very low	142.2 Å²	142.2	124.3 Å²	124.3	73%	0.729	70%	0.702	S	S	*	*			trans	164	121.8	138	-50.1	167.9	0	0	0	113	I1282 S1743 I1745	I1282-I1284 HydrophobicContact CG2-CD1 3.99Å; I1282-I1284 HydrophobicContact CG2-CG1 3.87Å; I1282-I1284 PolarHBondContact O-N 2.73Å; I1282-I1284 VanDerWaalsContact O-N 3.13Å; I1284-S1743 CarbonylContact C-O 3.44Å; I1284-S1743 WeakPolarHBondContact CA-O 3.45Å; I1284-S1743 WeakPolarHBondContact CB-O 3.27Å; I1284-S1743 WeakPolarHBondContact CG2-O 3.42Å; I1284-I1745 CarbonylContact C-O 3.55Å; I1284-I1745 WeakPolarHBondContact CA-O 3.43Å; I1284-I1745 PolarHBondContact N-O 2.84Å
1285	S	36	Very low	36.7	Very low	97.2 Å²	97.2	125.2 Å²	125.2	68%	0.68	71%	0.71	S	S	*	*			trans	25.9	140.5	167.2	-38.9	0	0	0	0	118	S1743 R1744 I1745 H1746	S1285-S1743 PolarHBondContact N-O 2.79Å; S1285-R1744 CarbonylContact C-O 3.52Å; S1285-R1744 PolarHBondContact N-O 2.78Å; S1285-I1745 PolarHBondContact N-O 2.75Å; S1285-I1745 CarbonylContact O-C 3.42Å; S1285-I1745 WeakPolarHBondContact O-CG1 3.45Å; S1285-H1746 PolarHBondContact OG-CD2 2.72Å; S1285-H1746 PolarHBondContact OG-N 3.45Å
1286	S	34.8	Very low	36.4	Very low	95 Å²	95	122.9 Å²	122.9	66%	0.664	71%	0.706	S	S	*	*			trans	-103.7	159.6	164.8	-64.1	0	0	0	0	111.6	D1288 I1745	S1286-D1288 PolarHBondContact O-N 2.7Å; S1286-I1745 WeakPolarHBondContact OG-CG1 3.38Å
1287	P	41.1	Very low	36	Very low	117.6 Å²	117.6	126.9 Å²	126.9	76%	0.764	71%	0.713	S	S	*	*				-120.7	151.2	128.8	38.5	-28.6	0	0	0	114.1	S1289	P1287-S1289 PolarHBondContact O-N 2.91Å
1288	D	36.3	Very low	36.1	Very low	121.4 Å²	121.4	129.5 Å²	129.5	65%	0.649	72%	0.717	S	S	*	*			trans	-108.9	129.7	170.7	-74.9	-45.1	0	0	0	112.6	S1286 F1290 K1994 Q1995	S1286-D1288 PolarHBondContact O-N 2.7Å; D1288-F1290 HydrophobicContact CB-CD2 4.36Å; D1288-F1290 HydrophobicContact CB-CE1 4.35Å; D1288-F1290 HydrophobicContact CB-CE2 4.11Å; D1288-F1290 HydrophobicContact CB-CZ 4.22Å; D1288-F1290 WeakPolarHBondContact OD1-CE1 3.44Å; D1288-F1290 WeakPolarHBondContact OD1-CZ 3.33Å; D1288-K1994 WeakPolarHBondContact OD1-CD 3.48Å; D1288-K1994 VanDerWaalsContact OD1-CE 3.25Å; D1288-K1994 WeakPolarHBondContact OD1-CE 3.27Å; D1288-K1994 IonicContact OD1-NZ 2.65Å; D1288-K1994 PolarHBondContact OD1-NZ 3.25Å; D1288-K1994 WeakPolarHBondContact OD2-CD 3.4Å; D1288-Q1995 PolarHBondContact OD2-NE2 2.64Å
1289	S	36.8	Very low	35.9	Very low	97.8 Å²	97.8	129.3 Å²	129.3	68%	0.684	72%	0.716	S	S	*	*				-157	149.7	114.3	-84.4	0	0	0	0	110.1	P1287	P1287-S1289 PolarHBondContact O-N 2.91Å
1290	F	35.2	Very low	35.6	Very low	175.4 Å²	175.4	130.2 Å²	130.2	77%	0.769	72%	0.722	S	S	*	*				168.5	150.4	61.4	-80.5	-67.5	0	0	0	109.2	D1288	D1288-F1290 HydrophobicContact CB-CD2 4.36Å; D1288-F1290 HydrophobicContact CB-CE1 4.35Å; D1288-F1290 HydrophobicContact CB-CE2 4.11Å; D1288-F1290 HydrophobicContact CB-CZ 4.22Å; D1288-F1290 WeakPolarHBondContact OD1-CE1 3.44Å; D1288-F1290 WeakPolarHBondContact OD1-CZ 3.33Å
1291	I	35.1	Very low	35.2	Very low	140.6 Å²	140.6	128.8 Å²	128.8	72%	0.721	72%	0.718	S	S	*	*				110.1	140.1	86.7	-93.4	172.1	0	0	0	112.7
1292	N	33.9	Very low	34.9	Very low	125.2 Å²	125.2	130.6 Å²	130.6	67%	0.67	72%	0.719	S	S	*	*				114.5	143	128.5	-114.8	21.7	0	0	0	113.4
1293	E	36.1	Very low	34.5	Very low	128.8 Å²	128.8	128.8 Å²	128.8	60%	0.602	72%	0.719	S	S	*	*			cis	-167.8	168.6	-8	-105	166.2	173.6	0	0	112.4	K1587 S1588	E1293-K1587 HydrophobicContact CG-CG 4.38Å; E1293-K1587 VanDerWaalsContact OE1-CA 3.27Å; E1293-K1587 WeakPolarHBondContact OE1-CA 3.41Å; E1293-K1587 WeakPolarHBondContact OE1-CG 3.46Å; E1293-K1587 VanDerWaalsContact OE2-CA 3.31Å; E1293-K1587 WeakPolarHBondContact OE2-CA 3.48Å; E1293-K1587 WeakPolarHBondContact OE2-CG 3.34Å; E1293-S1588 PolarHBondContact OE2-N 3.4Å
1294	Q	33.8	Very low	34.3	Very low	157.8 Å²	157.8	131.3 Å²	131.3	74%	0.737	73%	0.726	S	S	*	*			trans	-164.2	150.8	135.5	-112.1	-179	59.2	0	0	111.6	G1296 K1587	Q1294-G1296 PolarHBondContact O-N 2.92Å; Q1294-K1587 HydrophobicContact CG-CD 4.16Å; Q1294-K1587 HydrophobicContact CG-CG 4.42Å; Q1294-K1587 VanDerWaalsContact OE1-CE 3.27Å
1295	C	32.7	Very low	34.2	Very low	122.4 Å²	122.4	130 Å²	130	83%	0.827	73%	0.729	S	S	*	*			trans	-17.2	125.5	138.6	-154.6	0	0	0	0	111.6
1296	G	33.5	Very low	34	Very low	64.6 Å²	64.6	128.6 Å²	128.6	67%	0.666	73%	0.73	S	S	*	*				137.7	61.8	126.2	0	0	0	0	0	113.7	Q1294 I1298	Q1294-G1296 PolarHBondContact O-N 2.92Å; G1296-I1298 PolarHBondContact O-N 2.84Å
1297	K	32.8	Very low	33.9	Very low	195 Å²	195	133.4 Å²	133.4	85%	0.848	74%	0.739	S	S	*	*				58	101.1	128.3	-85.4	177	-179.6	176.7	0	114.8
1298	I	35.8	Very low	33.5	Very low	156.4 Å²	156.4	132.3 Å²	132.3	80%	0.802	74%	0.735	S	S	*	*			trans	-41	128.9	142.4	33.5	173.2	0	0	0	113.2	G1296	G1296-I1298 PolarHBondContact O-N 2.84Å
1299	N	31.9	Very low	33.4	Very low	138.4 Å²	138.4	134.4 Å²	134.4	74%	0.74	74%	0.74	S	S	*	*				-40.9	135.9	99.3	-71.4	-15.2	0	0	0	111.8
1300	N	32.4	Very low	33.1	Very low	139.6 Å²	139.6	137.8 Å²	137.8	75%	0.747	75%	0.745	S	S	*	*				-175.4	113.8	112.7	-103.3	-8.3	0	0	0	112.7	F1302	N1300-F1302 HydrophobicContact CB-CD2 4.42Å; N1300-F1302 HydrophobicContact CB-CE2 4.17Å
1301	T	31.7	Very low	33.1	Very low	99.6 Å²	99.6	134.4 Å²	134.4	61%	0.611	74%	0.74	S	S	*	*				44.2	124.8	116	-20.6	0	0	0	0	115.1
1302	F	32.9	Very low	33.1	Very low	186.8 Å²	186.8	134.9 Å²	134.9	82%	0.819	74%	0.743	S	S	*	*			trans	-163.6	132.7	143.9	-72	-72.5	0	0	0	114.2	N1300	N1300-F1302 HydrophobicContact CB-CD2 4.42Å; N1300-F1302 HydrophobicContact CB-CE2 4.17Å
1303	S	30.4	Very low	33.2	Very low	100.6 Å²	100.6	136.2 Å²	136.2	70%	0.703	75%	0.75	S	S	*	*				-142.8	143.2	113.3	-75.1	0	0	0	0	113.6
1304	L	32.9	Very low	33.1	Very low	155.2 Å²	155.2	134.7 Å²	134.7	81%	0.813	75%	0.753	S	S	*	*				-148.8	148.9	124.1	-90.2	159.9	0	0	0	109.8	G1306	L1304-G1306 PolarHBondContact O-N 3.39Å
1305	S	32.8	Very low	33	Very low	114.8 Å²	114.8	136.1 Å²	136.1	80%	0.803	76%	0.757	S	S	*	*				58.5	128.2	127.9	179.1	0	0	0	0	116.4
1306	G	31.7	Very low	33	Very low	67.8 Å²	67.8	135.8 Å²	135.8	70%	0.699	76%	0.755	S	S	*	*				155.3	125.2	99.8	0	0	0	0	0	114.1	L1304	L1304-G1306 PolarHBondContact O-N 3.39Å
1307	K	32.9	Very low	33	Very low	195.2 Å²	195.2	141.7 Å²	141.7	85%	0.849	76%	0.762	S	S	*	*			trans	80.8	146	147.2	-67.8	172.8	-176.5	177.9	0	113.2
1308	S	32.3	Very low	33.1	Very low	95.8 Å²	95.8	139.2 Å²	139.2	67%	0.67	76%	0.757	S	S	*	*			cis	-133.7	156.8	-10.9	51.9	0	0	0	0	111.9
1309	H	33.3	Very low	33	Very low	164.4 Å²	164.4	138.2 Å²	138.2	76%	0.761	75%	0.754	S	S	*	*				96.1	128.3	126.4	-75.2	-72.8	0	0	0	117
1310	H	30.2	Very low	33.2	Very low	169.6 Å²	169.6	135.2 Å²	135.2	79%	0.785	75%	0.749	S	S	*	*			trans	7	161	133	-85.2	-67.6	0	0	0	117
1311	P	36.6	Very low	33.6	Very low	104.2 Å²	104.2	134.6 Å²	134.6	68%	0.677	75%	0.75	S	S	*	*			trans	-112	178.2	-165.6	38	-26.7	0	0	0	113.7
1312	I	35.6	Very low	33.7	Very low	150 Å²	150	136.5 Å²	136.5	77%	0.769	76%	0.756	S	S	*	*			trans	132.6	123.7	155.3	-72	150	0	0	0	113.1	S1314	I1312-S1314 WeakPolarHBondContact CG2-OG 3.2Å
1313	N	34.5	Very low	33.9	Very low	152.2 Å²	152.2	138 Å²	138	81%	0.814	76%	0.756	S	S	*	*			trans	-98.5	132	139.8	-127.6	-16.6	0	0	0	114.3
1314	S	35.1	Very low	34.1	Very low	97.4 Å²	97.4	138.2 Å²	138.2	68%	0.681	76%	0.758	S	S	*	*				-152.3	145.5	123.4	60.9	0	0	0	0	112.9	I1312	I1312-S1314 WeakPolarHBondContact CG2-OG 3.2Å
1315	K	31.5	Very low	34.3	Very low	189 Å²	189	135.4 Å²	135.4	82%	0.822	75%	0.751	S	S	*	*				67.8	136.5	101.2	-80	173.5	-179.4	176.2	0	114
1316	C	31.9	Very low	34.4	Very low	114.2 Å²	114.2	136.8 Å²	136.8	77%	0.772	75%	0.75	S	S	*	*				155.6	152.1	127.6	-68.5	0	0	0	0	115.1	L1318	C1316-L1318 HydrophobicContact CB-CD1 4.02Å
1317	K	33.3	Very low	34.7	Very low	189.4 Å²	189.4	142.4 Å²	142.4	82%	0.823	76%	0.755	S	S	*	*				-177.5	138.1	68.1	-90.1	-178	174.7	-174.9	0	113.9
1318	L	35.6	Very low	34.9	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	75%	0.751	S	S	*	*			trans	89	134.7	135	-98.9	66.3	0	0	0	113.8	C1316	C1316-L1318 HydrophobicContact CB-CD1 4.02Å
1319	D	32.9	Very low	35	Very low	136 Å²	136	144.5 Å²	144.5	73%	0.727	75%	0.754	S	S	*	*			cis	-147.1	157.2	34.2	-93.4	-35	0	0	0	112.1
1320	A	36.6	Very low	35.2	Very low	76.4 Å²	76.4	143.5 Å²	143.5	63%	0.631	75%	0.753	S	S	*	*			cis	173.7	127.9	44.1	0	0	0	0	0	114.1
1321	T	40.5	Very low	35.4	Very low	126.4 Å²	126.4	142.2 Å²	142.2	78%	0.775	75%	0.751	S	S	*	*			trans	-141.9	134.1	135.3	24.3	0	0	0	0	113.2
1322	N	34.9	Very low	35.3	Very low	138.6 Å²	138.6	147.3 Å²	147.3	74%	0.741	76%	0.757	S	S	*	*				-142.4	136.3	119.6	-99.8	-30.2	0	0	0	114.4
1323	R	35.6	Very low	35.2	Very low	218.6 Å²	218.6	147.7 Å²	147.7	83%	0.825	76%	0.756	S	S	*	*			trans	-154.6	131.5	134.9	-98.5	167.8	-167.8	-143.3	4.2	112.1
1324	S	35.4	Very low	35.3	Very low	104.2 Å²	104.2	148.9 Å²	148.9	73%	0.729	75%	0.754	S	S	*	*				124.2	136.2	67.5	148	0	0	0	0	113.7
1325	S	36.5	Very low	35.3	Very low	97.2 Å²	97.2	148.9 Å²	148.9	68%	0.68	75%	0.754	S	S	*	*				102.1	133	110	73.2	0	0	0	0	114.2
1326	N	36.2	Very low	35.5	Very low	144 Å²	144	147.5 Å²	147.5	77%	0.77	75%	0.75	S	S	*	*				163.6	147.7	101	-90.6	-45.1	0	0	0	112.7
1327	K	37.8	Very low	35.6	Very low	184.6 Å²	184.6	147.3 Å²	147.3	80%	0.803	75%	0.746	S	S	*	*			cis	-169.5	131.8	37.3	-135	168	-176.7	175.7	0	111.7	H1329	K1327-H1329 PolarHBondContact O-N 3.28Å
1328	K	36.9	Very low	35.6	Very low	178 Å²	178	144.6 Å²	144.6	77%	0.774	75%	0.745	S	S	*	*			trans	45.6	125.9	159.7	-59.4	-178.2	165	-171.1	0	116.8
1329	H	35	Very low	35.4	Very low	158.2 Å²	158.2	142.1 Å²	142.1	73%	0.732	74%	0.739	S	S	*	*				167	144	88	-104.2	-100.2	0	0	0	113.5	K1327	K1327-H1329 PolarHBondContact O-N 3.28Å
1330	I	36.6	Very low	35.5	Very low	143.8 Å²	143.8	142.8 Å²	142.8	74%	0.737	74%	0.742	S	S	*	*			trans	47.2	145.9	134.2	-83.5	170	0	0	0	116.6	R1332	I1330-R1332 PolarHBondContact O-N 2.86Å
1331	N	33.6	Very low	35.2	Very low	141.2 Å²	141.2	146.8 Å²	146.8	76%	0.755	75%	0.747	S	S	*	*			trans	-164.4	152.7	-131.1	-114.4	-20.9	0	0	0	110.6	Q1333	N1331-Q1333 PolarHBondContact O-N 2.69Å
1332	R	34.4	Very low	34.7	Very low	211.6 Å²	211.6	144.3 Å²	144.3	80%	0.798	73%	0.734	S	S	*	*			cis	-139.9	131.1	30.9	-107.7	-175.5	175	-178.7	-1	113	I1330	I1330-R1332 PolarHBondContact O-N 2.86Å
1333	Q	34.7	Very low	34.5	Very low	157.8 Å²	157.8	146.4 Å²	146.4	74%	0.737	74%	0.737	S	S	*	*			trans	50.9	149.2	145.3	-66.7	171.1	-16	0	0	115	N1331 S1335	N1331-Q1333 PolarHBondContact O-N 2.69Å; Q1333-S1335 PolarHBondContact O-N 2.69Å; Q1333-S1335 VanDerWaalsContact O-N 3.08Å
1334	K	35.9	Very low	34.5	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	73%	0.732	S	S	*	*			cis	-146	161.9	23.6	-119.5	176.9	179.8	-164	0	110.5	E1336	K1334-E1336 HydrophobicContact CB-CB 4.31Å; K1334-E1336 WeakPolarHBondContact CD-OE2 3.36Å; K1334-E1336 IonicContact NZ-OE1 2.69Å; K1334-E1336 PolarHBondContact NZ-OE1 2.97Å; K1334-E1336 IonicContact NZ-OE2 2.65Å; K1334-E1336 PolarHBondContact NZ-OE2 3.1Å; K1334-E1336 PolarHBondContact O-N 2.66Å
1335	S	35.4	Very low	34.2	Very low	97 Å²	97	141.7 Å²	141.7	68%	0.678	73%	0.726	S	S	*	*			trans	-118	156.3	174.1	51.7	0	0	0	0	112.2	Q1333	Q1333-S1335 PolarHBondContact O-N 2.69Å; Q1333-S1335 VanDerWaalsContact O-N 3.08Å
1336	E	35.2	Very low	33.9	Very low	160.6 Å²	160.6	142.4 Å²	142.4	75%	0.75	72%	0.723	S	S	*	*				-170.2	148.2	117.5	-115.7	161.6	174.1	0	0	111.7	K1334	K1334-E1336 HydrophobicContact CB-CB 4.31Å; K1334-E1336 WeakPolarHBondContact CD-OE2 3.36Å; K1334-E1336 IonicContact NZ-OE1 2.69Å; K1334-E1336 PolarHBondContact NZ-OE1 2.97Å; K1334-E1336 IonicContact NZ-OE2 2.65Å; K1334-E1336 PolarHBondContact NZ-OE2 3.1Å; K1334-E1336 PolarHBondContact O-N 2.66Å
1337	T	35.3	Very low	33.8	Very low	110.6 Å²	110.6	139.9 Å²	139.9	68%	0.679	72%	0.716	S	S	*	*			trans	-153	155.7	178.1	0.4	0	0	0	0	112.7	R752	R752-T1337 VanDerWaalsContact CZ-CB 3.48Å; R752-T1337 PolarHBondContact NH2-OG1 2.69Å
1338	V	33.3	Very low	33.5	Very low	131.2 Å²	131.2	136.5 Å²	136.5	80%	0.795	71%	0.707	S	S	*	*			trans	-168.2	151.8	148	-168.1	0	0	0	0	114
1339	S	31.4	Very low	33.2	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	70%	0.704	S	S	*	*			trans	170.8	137.1	157.6	-121	0	0	0	0	116.9	H750 H751 H1341	H750-S1339 WeakPolarHBondContact O-CB 3.13Å; H750-S1339 PolarHBondContact O-OG 2.99Å; H751-S1339 PolarHBondContact N-OG 3.35Å; S1339-H1341 PolarHBondContact O-N 2.78Å
1340	I	34.3	Very low	33	Very low	151.8 Å²	151.8	134.4 Å²	134.4	78%	0.778	70%	0.703	S	S	*	*				45	116.2	110.6	-38.8	173.8	0	0	0	116.5	T748 Y749	T748-I1340 CarbonylContact C-O 3.24Å; Y749-I1340 PolarHBondContact N-O 2.73Å; Y749-I1340 CarbonylContact O-C 3.54Å; Y749-I1340 VanDerWaalsContact O-C 3.31Å
1341	H	31.1	Very low	32.9	Very low	160.4 Å²	160.4	132.5 Å²	132.5	74%	0.743	70%	0.703	S	S	*	*			trans	162.2	138.9	153.8	-117.9	-89.9	0	0	0	118.4	R747 Y749 S1339	R747-H1341 CarbonylContact O-C 3.24Å; Y749-H1341 WeakPolarHBondContact O-CA 3.21Å; Y749-H1341 VanDerWaalsContact O-CB 3.31Å; Y749-H1341 WeakPolarHBondContact O-CB 3.41Å; Y749-H1341 PolarHBondContact O-N 2.88Å; S1339-H1341 PolarHBondContact O-N 2.78Å
1342	S	28.6	Very low	32.8	Very low	72.4 Å²	72.4	132.9 Å²	132.9	51%	0.506	70%	0.7	S	S	.	*			trans	95.8	141.2	144.7	67.2	0	0	0	0	120.2	D746 R747	D746-S1342 CarbonylContact C-O 2.98Å; D746-S1342 VanDerWaalsContact C-O 3.24Å; R747-S1342 PolarHBondContact N-O 3.31Å; R747-S1342 VanDerWaalsContact N-O 3.12Å; R747-S1342 PolarHBondContact O-N 2.87Å
1343	F	31	Very low	32.7	Very low	184 Å²	184	132.9 Å²	132.9	81%	0.807	70%	0.7	S	S	*	*			trans	87.6	130.8	152.2	-69.2	-66	0	0	0	119.2	S745 D746	S745-F1343 CarbonylContact C-O 3.6Å; S745-F1343 VanDerWaalsContact C-O 3.24Å; S745-F1343 VanDerWaalsContact CA-O 3.22Å; S745-F1343 WeakPolarHBondContact CA-O 3.21Å; D746-F1343 PolarHBondContact N-O 2.99Å
1344	L	34.9	Very low	32.6	Very low	135.2 Å²	135.2	132.7 Å²	132.7	71%	0.708	70%	0.699	S	S	*	*			trans	31.1	122.3	143.8	-72.6	170.2	0	0	0	116.8	L744 S745	L744-L1344 CarbonylContact C-O 3.58Å; L744-L1344 WeakPolarHBondContact CA-O 3.24Å; L744-L1344 PolarHBondContact N-O 3.1Å; L744-L1344 VanDerWaalsContact N-O 3.09Å; S745-L1344 WeakPolarHBondContact CA-O 3.45Å; S745-L1344 WeakPolarHBondContact CB-O 3.45Å; S745-L1344 PolarHBondContact N-O 2.94Å
1345	S	30.2	Very low	32.3	Very low	88 Å²	88	129.1 Å²	129.1	62%	0.615	70%	0.696	S	S	*	*			trans	118.1	111.9	133.2	-76.8	0	0	0	0	114.5	L744 S1347	L744-S1345 WeakPolarHBondContact CA-O 3.48Å; L744-S1345 WeakPolarHBondContact CD2-O 3.28Å; L744-S1345 WeakPolarHBondContact CG-O 3.42Å; L744-S1345 PolarHBondContact N-O 2.86Å; S1345-S1347 PolarHBondContact O-N 3.47Å
1346	D	31	Very low	32.2	Very low	112.6 Å²	112.6	129.5 Å²	129.5	60%	0.602	70%	0.695	S	S	*	*				63.8	121.9	117.8	-64.1	-41.3	0	0	0	116.1	Q743 L744 N1348 H1357	Q743-D1346 WeakPolarHBondContact CB-O 3.5Å; Q743-D1346 HydrophobicContact CG-CB 4.15Å; Q743-D1346 PolarHBondContact OE1-O 3.05Å; L744-D1346 WeakPolarHBondContact CG-O 3.31Å; D1346-N1348 PolarHBondContact OD1-ND2 2.76Å; D1346-N1348 VanDerWaalsContact OD1-ND2 3.12Å; D1346-H1357 IonicContact OD1-CE1 3.43Å; D1346-H1357 PolarHBondContact OD1-CE1 3.2Å
1347	S	32.9	Very low	32	Very low	91.2 Å²	91.2	128.8 Å²	128.8	64%	0.638	69%	0.691	S	S	*	*			trans	158.9	116.6	132.4	-81	0	0	0	0	114.4	Q743 S1345 H1349	Q743-S1347 VanDerWaalsContact CD-OG 3.24Å; Q743-S1347 PolarHBondContact NE2-OG 3.24Å; Q743-S1347 PolarHBondContact OE1-OG 3.31Å; S1345-S1347 PolarHBondContact O-N 3.47Å; S1347-H1349 PolarHBondContact O-N 2.97Å
1348	N	31.1	Very low	32	Very low	112.6 Å²	112.6	130 Å²	130	60%	0.602	69%	0.692	S	S	*	*			trans	25	127	134.4	-84.8	-40.4	0	0	0	114.3	D1346 T1356	D1346-N1348 PolarHBondContact OD1-ND2 2.76Å; D1346-N1348 VanDerWaalsContact OD1-ND2 3.12Å; N1348-T1356 WeakPolarHBondContact ND2-CG2 3.43Å
1349	H	31.7	Very low	31.9	Very low	155 Å²	155	130.9 Å²	130.9	72%	0.718	69%	0.687	S	S	*	*				-171.2	138.4	122.4	-81.2	-65.5	0	0	0	113.8	S1347	S1347-H1349 PolarHBondContact O-N 2.97Å
1350	L	30.1	Very low	31.9	Very low	137.6 Å²	137.6	131.2 Å²	131.2	72%	0.72	69%	0.689	S	S	*	*			trans	-67.9	135.6	154.2	-72.9	101.5	0	0	0	114.3	H1354	L1350-H1354 VanDerWaalsContact CD2-CE1 3.45Å; L1350-H1354 WeakPolarHBondContact CD2-CE1 3.39Å
1351	S	34.3	Very low	31.8	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	68%	0.682	S	S	*	*				152.9	130.3	119.5	7.4	0	0	0	0	112
1352	Q	32.2	Very low	32.1	Very low	151.2 Å²	151.2	130.5 Å²	130.5	71%	0.707	68%	0.684	S	S	*	*			cis	122	120.4	47.2	-160.7	175	-1	0	0	111.9
1353	W	32.9	Very low	32.3	Very low	210.8 Å²	210.8	134.2 Å²	134.2	80%	0.798	70%	0.696	S	S	*	*				-157.2	143.8	116.3	-84.1	73.5	0	0	0	111.9
1354	H	31.8	Very low	32.3	Very low	154.4 Å²	154.4	130.6 Å²	130.6	72%	0.715	69%	0.693	S	S	*	*			trans	-35.2	140	157.2	-61.4	-74.4	0	0	0	112.5	L1350 T1356	L1350-H1354 VanDerWaalsContact CD2-CE1 3.45Å; L1350-H1354 WeakPolarHBondContact CD2-CE1 3.39Å; H1354-T1356 PolarHBondContact O-N 3.01Å
1355	S	29.9	Very low	32.2	Very low	101.2 Å²	101.2	130.8 Å²	130.8	71%	0.708	70%	0.695	S	S	*	*			cis	111.2	121.9	29.3	-92.9	0	0	0	0	113.1
1356	T	33.7	Very low	32.4	Very low	105.6 Å²	105.6	133.9 Å²	133.9	65%	0.648	71%	0.705	S	S	*	*				-159.4	136.6	90	45	0	0	0	0	117	N1348 H1354	N1348-T1356 WeakPolarHBondContact ND2-CG2 3.43Å; H1354-T1356 PolarHBondContact O-N 3.01Å
1357	H	30.9	Very low	32.5	Very low	145.2 Å²	145.2	132.4 Å²	132.4	67%	0.672	71%	0.708	S	S	*	*				68.8	128.4	108.5	-88.6	-70	0	0	0	118.7	D1346 H1359	D1346-H1357 IonicContact OD1-CE1 3.43Å; D1346-H1357 PolarHBondContact OD1-CE1 3.2Å; H1357-H1359 AromaticContact CE1-CD2 3.87Å; H1357-H1359 AromaticContact CE1-CE1 3.72Å; H1357-H1359 AromaticContact CE1-NE2 3.59Å; H1357-H1359 AromaticContact ND1-CD2 3.67Å; H1357-H1359 AromaticContact ND1-CG 3.77Å; H1357-H1359 AromaticContact ND1-NE2 3.88Å
1358	I	33.8	Very low	32.5	Very low	137.2 Å²	137.2	134.4 Å²	134.4	70%	0.704	71%	0.711	S	S	*	*				171.1	132.1	98.3	-86.8	162.9	0	0	0	113.1	S1360	I1358-S1360 WeakPolarHBondContact CG2-OG 3.44Å
1359	H	32.2	Very low	32.6	Very low	150.2 Å²	150.2	136.9 Å²	136.9	70%	0.695	72%	0.719	S	S	*	*			trans	7.4	131.4	143.8	-77.7	-76.1	0	0	0	117	H1357 D1361	H1357-H1359 AromaticContact CE1-CD2 3.87Å; H1357-H1359 AromaticContact CE1-CE1 3.72Å; H1357-H1359 AromaticContact CE1-NE2 3.59Å; H1357-H1359 AromaticContact ND1-CD2 3.67Å; H1357-H1359 AromaticContact ND1-CG 3.77Å; H1357-H1359 AromaticContact ND1-NE2 3.88Å; H1359-D1361 IonicContact CE1-OD2 3.98Å; H1359-D1361 IonicContact CG-OD2 2.78Å; H1359-D1361 IonicContact ND1-OD2 2.67Å; H1359-D1361 PolarHBondContact ND1-OD2 3.29Å; H1359-D1361 PolarHBondContact O-N 3.38Å
1360	S	31.7	Very low	32.7	Very low	94.8 Å²	94.8	133.9 Å²	133.9	66%	0.663	72%	0.715	S	S	*	*				161.1	109.3	56.4	-73.7	0	0	0	0	113.2	I1358	I1358-S1360 WeakPolarHBondContact CG2-OG 3.44Å
1361	D	31.1	Very low	32.8	Very low	119 Å²	119	135 Å²	135	64%	0.636	72%	0.717	S	S	*	*				87.3	111	119	-92.3	-52	0	0	0	116.1	H1359	H1359-D1361 IonicContact CE1-OD2 3.98Å; H1359-D1361 IonicContact CG-OD2 2.78Å; H1359-D1361 IonicContact ND1-OD2 2.67Å; H1359-D1361 PolarHBondContact ND1-OD2 3.29Å; H1359-D1361 PolarHBondContact O-N 3.38Å
1362	K	37.1	Very low	32.8	Very low	179.8 Å²	179.8	136.4 Å²	136.4	78%	0.782	72%	0.715	S	S	*	*			trans	80	135	154	-77.4	167.3	-176.3	163	0	117	C1364	K1362-C1364 PolarHBondContact O-N 3.13Å
1363	I	34.6	Very low	32.8	Very low	149.6 Å²	149.6	137.5 Å²	137.5	77%	0.767	72%	0.718	S	S	*	*			trans	63.3	124.1	152.5	-72.7	159.9	0	0	0	114.5
1364	C	31.1	Very low	32.7	Very low	108.6 Å²	108.6	131.8 Å²	131.8	73%	0.734	71%	0.711	S	S	*	*			trans	-111.9	148.7	149.1	-77	0	0	0	0	115.1	K1362	K1362-C1364 PolarHBondContact O-N 3.13Å
1365	N	32.6	Very low	32.8	Very low	140 Å²	140	134.2 Å²	134.2	75%	0.749	71%	0.713	S	S	*	*			trans	76.2	128.4	152.2	-64.1	0.6	0	0	0	118
1366	D	33.6	Very low	33.1	Very low	153 Å²	153	139.3 Å²	139.3	82%	0.818	72%	0.717	S	S	*	*			trans	53.3	135.2	135.6	-73.9	-35.8	0	0	0	117.6
1367	A	33.8	Very low	33	Very low	81.4 Å²	81.4	142.2 Å²	142.2	67%	0.673	73%	0.725	S	S	*	*			trans	124.1	138.6	146.3	0	0	0	0	0	115.6
1368	N	33.3	Very low	33.2	Very low	131.4 Å²	131.4	139.9 Å²	139.9	70%	0.703	73%	0.725	S	S	*	*			trans	81.1	120.3	158	-65.8	-14.4	0	0	0	115.7
1369	E	32.8	Very low	33.2	Very low	166 Å²	166	144.1 Å²	144.1	78%	0.776	73%	0.733	S	S	*	*				70.7	107.9	96.5	-69.3	-169	165.3	0	0	116.6	C850	C850-E1369 PolarHBondContact N-OE2 3.36Å
1370	S	33.4	Very low	33.3	Very low	91 Å²	91	143.3 Å²	143.3	64%	0.636	73%	0.733	S	S	*	*				159.1	116.8	128.6	54.9	0	0	0	0	113.8	S847 N848 C849	S847-S1370 WeakPolarHBondContact O-CB 3.45Å; S847-S1370 PolarHBondContact O-OG 2.96Å; N848-S1370 PolarHBondContact O-OG 3.18Å; C849-S1370 PolarHBondContact N-OG 2.59Å
1371	H	32.8	Very low	33.5	Very low	162.4 Å²	162.4	144.7 Å²	144.7	75%	0.752	73%	0.733	S	S	*	*			trans	47.3	137.2	149.4	-83.3	-107.2	0	0	0	117.9
1372	L	33	Very low	33.6	Very low	130.6 Å²	130.6	145 Å²	145	68%	0.684	73%	0.734	S	S	*	*				124.3	141.8	93.2	-78.7	179	0	0	0	115.2
1373	F	31.9	Very low	33.6	Very low	176 Å²	176	140.5 Å²	140.5	77%	0.772	73%	0.725	S	S	*	*			trans	38.5	123.8	139.8	-83	-70.8	0	0	0	116.5	R1375	F1373-R1375 PolarHBondContact O-N 3.34Å
1374	S	30.7	Very low	33.8	Very low	91.4 Å²	91.4	143.4 Å²	143.4	64%	0.639	73%	0.727	S	S	*	*				-152.1	143.5	96.8	-105	0	0	0	0	112.9
1375	R	35.8	Very low	34.1	Very low	204 Å²	204	144.7 Å²	144.7	77%	0.77	73%	0.726	S	S	*	*				153.9	135.9	127.4	-91.2	167.8	-157.3	-150.4	0.4	113.9	F1373 H1658	F1373-R1375 PolarHBondContact O-N 3.34Å; R1375-H1658 PolarHBondContact N-O 3.42Å
1376	R	35.5	Very low	34.5	Very low	208.4 Å²	208.4	147 Å²	147	79%	0.786	73%	0.729	S	S	*	*				161.8	141.4	120.4	-88.9	167.5	-179.9	168.2	-2.1	113.6
1377	M	32.1	Very low	34.5	Very low	165.6 Å²	165.6	150.5 Å²	150.5	82%	0.816	73%	0.731	S	S	*	*				98.3	111.1	105.2	-71	-51.2	-176.7	0	0	115
1378	S	34.7	Very low	34.7	Very low	97.2 Å²	97.2	156.1 Å²	156.1	68%	0.68	74%	0.735	S	S	*	*				172.1	132.7	116.3	30.6	0	0	0	0	113.2
1379	R	34.4	Very low	34.9	Very low	226.6 Å²	226.6	159.8 Å²	159.8	86%	0.855	74%	0.739	S	S	*	*			trans	66.8	141.2	144.3	-67.5	170.5	-177.9	156.2	-0.2	113.9
1380	N	32.4	Very low	34.9	Very low	132.2 Å²	132.2	156.3 Å²	156.3	71%	0.707	73%	0.733	S	S	*	*			cis	-154.4	134.8	43.8	-117.7	-1.6	0	0	0	113.3	N1382	N1380-N1382 VanDerWaalsContact C-N 3.27Å; N1380-N1382 PolarHBondContact O-N 3.05Å; N1380-N1382 PolarHBondContact OD1-ND2 2.91Å
1381	L	37	Very low	35.1	Very low	125.2 Å²	125.2	159.4 Å²	159.4	66%	0.655	74%	0.741	S	S	*	*				-78.4	136.3	108	-89.1	171.5	0	0	0	113.5	S1383 L1399	L1381-S1383 VanDerWaalsContact C-N 3.32Å; L1381-S1383 PolarHBondContact O-N 3.4Å; L1381-L1399 HydrophobicContact CD2-CB 3.99Å; L1381-L1399 HydrophobicContact CD2-CD1 4.16Å; L1381-L1399 HydrophobicContact CD2-CD2 4.04Å; L1381-L1399 HydrophobicContact CD2-CG 4.28Å
1382	N	34.1	Very low	35.3	Very low	124.8 Å²	124.8	157.2 Å²	157.2	67%	0.667	74%	0.738	S	S	*	*			trans	-127.6	128.1	148.5	-86	-40.8	0	0	0	112.7	N1380 R1384 H1648	N1380-N1382 VanDerWaalsContact C-N 3.27Å; N1380-N1382 PolarHBondContact O-N 3.05Å; N1380-N1382 PolarHBondContact OD1-ND2 2.91Å; N1382-R1384 HydrophobicContact CB-CB 4.2Å; N1382-R1384 VanDerWaalsContact CG-CD 3.48Å; N1382-R1384 PolarHBondContact O-N 3.2Å; N1382-R1384 WeakPolarHBondContact OD1-CB 3.21Å; N1382-R1384 WeakPolarHBondContact OD1-CD 3.5Å; N1382-R1384 WeakPolarHBondContact OD1-CG 3.18Å; N1382-R1384 PolarHBondContact OD1-N 3.31Å; N1382-H1648 CarbonylContact C-O 2.93Å
1383	S	35.9	Very low	35.2	Very low	84.2 Å²	84.2	154.7 Å²	154.7	59%	0.589	73%	0.732	S	S	*	*				-125.3	143.4	57.9	63.6	0	0	0	0	115.3	L1381 N1647 H1648 H1649	L1381-S1383 VanDerWaalsContact C-N 3.32Å; L1381-S1383 PolarHBondContact O-N 3.4Å; S1383-N1647 VanDerWaalsContact CB-O 3.31Å; S1383-N1647 WeakPolarHBondContact CB-O 2.88Å; S1383-H1648 WeakPolarHBondContact CB-O 3.4Å; S1383-H1648 PolarHBondContact N-O 2.93Å; S1383-H1648 PolarHBondContact OG-N 2.67Å; S1383-H1648 VanDerWaalsContact OG-N 3.09Å; S1383-H1648 PolarHBondContact OG-O 3.06Å; S1383-H1649 PolarHBondContact OG-O 3.21Å
1384	R	39.4	Very low	35.2	Very low	211.2 Å²	211.2	151.1 Å²	151.1	80%	0.797	73%	0.728	S	S	*	*			trans	65.9	111.9	152	-76.3	179.7	176.5	171.5	-1.2	117.6	N1382	N1382-R1384 HydrophobicContact CB-CB 4.2Å; N1382-R1384 VanDerWaalsContact CG-CD 3.48Å; N1382-R1384 PolarHBondContact O-N 3.2Å; N1382-R1384 WeakPolarHBondContact OD1-CB 3.21Å; N1382-R1384 WeakPolarHBondContact OD1-CD 3.5Å; N1382-R1384 WeakPolarHBondContact OD1-CG 3.18Å; N1382-R1384 PolarHBondContact OD1-N 3.31Å
1385	N	36.6	Very low	35.3	Very low	136.8 Å²	136.8	153.4 Å²	153.4	73%	0.732	73%	0.733	S	S	*	*				-108.1	136.3	121	-86.5	-36.3	0	0	0	114.3
1386	K	40.7	Very low	35.2	Very low	186.6 Å²	186.6	148.2 Å²	148.2	81%	0.811	73%	0.728	S	S	*	*			trans	-163.4	129.8	135.4	-93.4	168.4	-175.2	172.5	0	113.3
1387	R	35.2	Very low	34.9	Very low	227.8 Å²	227.8	142.1 Å²	142.1	86%	0.86	72%	0.718	S	S	*	*			trans	-165.9	134.4	132.4	-99	173.2	169.4	157.1	-5.3	115.1
1388	R	36.8	Very low	34.9	Very low	198 Å²	198	138.9 Å²	138.9	75%	0.747	71%	0.711	S	S	*	*			trans	-77.5	135.2	146.1	-84.6	174.9	162.1	-166.7	-5.5	113.6	D1792 A1793 L1795 D1796	R1388-D1792 WeakPolarHBondContact CB-O 3.3Å; R1388-A1793 VanDerWaalsContact CD-O 3.3Å; R1388-A1793 WeakPolarHBondContact CD-O 3.43Å; R1388-A1793 PolarHBondContact NH1-O 2.92Å; R1388-L1795 PolarHBondContact NH1-O 2.57Å; R1388-L1795 PolarHBondContact NH2-O 2.92Å; R1388-D1796 IonicContact CZ-OD1 2.89Å; R1388-D1796 VanDerWaalsContact CZ-OD1 3.26Å; R1388-D1796 IonicContact CZ-OD2 3.94Å; R1388-D1796 IonicContact NE-OD1 3.11Å; R1388-D1796 PolarHBondContact NE-OD1 2.88Å; R1388-D1796 IonicContact NH2-OD1 3.01Å; R1388-D1796 PolarHBondContact NH2-OD1 2.68Å; R1388-D1796 IonicContact NH2-OD2 2.7Å; R1388-D1796 PolarHBondContact NH2-OD2 2.94Å
1389	R	37.8	Very low	35	Very low	209.4 Å²	209.4	141.2 Å²	141.2	79%	0.79	72%	0.715	S	S	*	*			trans	-154.8	131.7	142.8	-79.5	-174.7	-165.6	-175.6	0.5	110.7
1390	S	32.8	Very low	34.9	Very low	92.4 Å²	92.4	134.4 Å²	134.4	65%	0.646	70%	0.702	S	S	*	*				70	120.3	98.8	113.7	0	0	0	0	118.3	V1392 S1393 S1394	S1390-V1392 WeakPolarHBondContact O-CA 3.39Å; S1390-V1392 PolarHBondContact O-N 2.9Å; S1390-S1393 VanDerWaalsContact OG-C 3.31Å; S1390-S1393 PolarHBondContact OG-N 2.82Å; S1390-S1394 PolarHBondContact OG-N 3.43Å
1391	I	37.9	Very low	35.2	Very low	155.6 Å²	155.6	132.6 Å²	132.6	80%	0.798	70%	0.7	S	S	*	*			trans	174	122.4	150.6	-52	160.8	0	0	0	110.9	S1393	I1391-S1393 VanDerWaalsContact CG2-O 3.29Å; I1391-S1393 WeakPolarHBondContact CG2-O 2.92Å; I1391-S1393 PolarHBondContact O-N 2.76Å
1392	V	36.5	Very low	35.3	Very low	116.6 Å²	116.6	134.6 Å²	134.6	71%	0.707	71%	0.706	S	S	*	*			trans	35.3	115.2	163.3	-174.3	0	0	0	0	114.6	S1390 T1774	S1390-V1392 WeakPolarHBondContact O-CA 3.39Å; S1390-V1392 PolarHBondContact O-N 2.9Å; V1392-T1774 HydrophobicContact CB-CG2 3.58Å; V1392-T1774 HydrophobicContact CG1-CG2 3.62Å; V1392-T1774 WeakPolarHBondContact CG1-OG1 3.14Å; V1392-T1774 WeakPolarHBondContact O-CG2 3.46Å
1393	S	30.3	Very low	35.6	Very low	78.8 Å²	78.8	131.6 Å²	131.6	55%	0.551	70%	0.704	S	S	*	*			trans	66.2	137.5	157.8	-57.9	0	0	0	0	118.2	S1390 I1391 T1774	S1390-S1393 VanDerWaalsContact OG-C 3.31Å; S1390-S1393 PolarHBondContact OG-N 2.82Å; I1391-S1393 VanDerWaalsContact CG2-O 3.29Å; I1391-S1393 WeakPolarHBondContact CG2-O 2.92Å; I1391-S1393 PolarHBondContact O-N 2.76Å; S1393-T1774 VanDerWaalsContact OG-CG2 3.26Å; S1393-T1774 WeakPolarHBondContact OG-CG2 3.23Å
1394	S	32.1	Very low	35.7	Very low	99.4 Å²	99.4	134.9 Å²	134.9	70%	0.695	71%	0.71	S	S	*	*				122.6	142.4	115.8	-59.4	0	0	0	0	115.9	S1390	S1390-S1394 PolarHBondContact OG-N 3.43Å
1395	L	34.3	Very low	35.5	Very low	139.6 Å²	139.6	129.1 Å²	129.1	73%	0.731	70%	0.702	S	S	*	*				75.5	134.4	124.1	-57.4	178.6	0	0	0	115.6
1396	S	31.8	Very low	35.5	Very low	96.8 Å²	96.8	130.6 Å²	130.6	68%	0.677	70%	0.704	S	S	*	*				106.7	138.8	51.1	-52.8	0	0	0	0	113.3
1397	S	30.3	Very low	35.1	Very low	80 Å²	80	126.3 Å²	126.3	56%	0.559	70%	0.697	S	S	*	*				-167.4	149.2	128.4	28	0	0	0	0	113.5	D1788	S1397-D1788 WeakPolarHBondContact CB-OD2 3.04Å; S1397-D1788 VanDerWaalsContact OG-CA 3.28Å; S1397-D1788 WeakPolarHBondContact OG-CA 3.27Å; S1397-D1788 WeakPolarHBondContact OG-CB 3.32Å; S1397-D1788 PolarHBondContact OG-N 2.97Å; S1397-D1788 PolarHBondContact OG-OD2 2.85Å
1398	S	31.7	Very low	35.2	Very low	98 Å²	98	122.6 Å²	122.6	69%	0.685	70%	0.695	S	S	*	*			trans	79.8	137.5	140.6	-56.4	0	0	0	0	117.9	E1268	E1268-S1398 VanDerWaalsContact CD-OG 3.26Å; E1268-S1398 WeakPolarHBondContact OE1-CB 3.42Å; E1268-S1398 PolarHBondContact OE1-OG 3.02Å; E1268-S1398 PolarHBondContact OE2-OG 2.93Å
1399	L	36.8	Very low	35	Very low	146 Å²	146	118.7 Å²	118.7	76%	0.764	70%	0.697	S	S	*	*				-161.2	145.2	101.5	-71.1	167.4	0	0	0	111	L1381	L1381-L1399 HydrophobicContact CD2-CB 3.99Å; L1381-L1399 HydrophobicContact CD2-CD1 4.16Å; L1381-L1399 HydrophobicContact CD2-CD2 4.04Å; L1381-L1399 HydrophobicContact CD2-CG 4.28Å
1400	S	32.1	Very low	35.5	Very low	83 Å²	83	114.2 Å²	114.2	58%	0.58	70%	0.695	S	S	*	*			cis	81.1	120.5	41.5	-130.7	0	0	0	0	115.9	S826 K1272	S826-S1400 WeakPolarHBondContact CB-O 3.48Å; S826-S1400 PolarHBondContact OG-O 2.84Å; S826-S1400 PolarHBondContact OG-OG 3.16Å; K1272-S1400 WeakPolarHBondContact CE-OG 3.33Å; K1272-S1400 VanDerWaalsContact NZ-C 3.3Å; K1272-S1400 PolarHBondContact NZ-O 3.46Å; K1272-S1400 PolarHBondContact NZ-OG 2.75Å
1401	S	38.7	Very low	35.9	Very low	94.2 Å²	94.2	115.6 Å²	115.6	66%	0.659	70%	0.702	S	S	*	*			trans	-153	135.3	152.4	52.2	0	0	0	0	108.8
1402	E	38.7	Very low	35.8	Very low	167.6 Å²	167.6	116.3 Å²	116.3	78%	0.783	70%	0.702	S	S	*	*				77.4	138.2	67.9	-77.9	172	166.5	0	0	112.9	H824 K825 K1272	H824-E1402 IonicContact ND1-OE1 3.61Å; K825-E1402 WeakPolarHBondContact CE-OE1 3.38Å; K825-E1402 WeakPolarHBondContact CE-OE2 3.34Å; K825-E1402 IonicContact NZ-OE1 3.17Å; K825-E1402 PolarHBondContact NZ-OE1 3.46Å; K825-E1402 IonicContact NZ-OE2 2.71Å; K825-E1402 PolarHBondContact NZ-OE2 3.46Å; K1272-E1402 IonicContact NZ-OE1 3.62Å; K1272-E1402 PolarHBondContact NZ-OE1 2.95Å
1403	G	40.5	Very low	35.8	Very low	60.8 Å²	60.8	116.5 Å²	116.5	63%	0.627	70%	0.704	S	S	*	*			trans	173.3	152.2	-176.6	0	0	0	0	0	113.7
1404	E	38.5	Very low	36.2	Very low	153.6 Å²	153.6	120.1 Å²	120.1	72%	0.718	72%	0.716	S	S	*	*			trans	-110.9	175.5	-139.1	-104.8	119.6	154.3	0	0	111.4
1405	C	35.5	Very low	36.5	Very low	91 Å²	91	121 Å²	121	62%	0.615	72%	0.717	S	S	*	*				-130.6	153.6	124	-58.3	0	0	0	0	115
1406	H	36.2	Very low	36.9	Very low	166.4 Å²	166.4	123.1 Å²	123.1	77%	0.77	72%	0.716	S	S	*	*				150.3	155.6	128.1	-64.2	-52.3	0	0	0	113.8
1407	S	33.4	Very low	37.3	Very low	97.2 Å²	97.2	125.2 Å²	125.2	68%	0.68	72%	0.719	S	S	*	*			trans	-77.4	140.7	149.5	54.4	0	0	0	0	116.7
1408	N	35.4	Very low	37.8	Very low	151.2 Å²	151.2	125.7 Å²	125.7	81%	0.809	72%	0.722	S	S	*	*				110.3	139.1	122.3	-67	-19.1	0	0	0	116.8
1409	S	32.8	Very low	38.4	Very low	114.2 Å²	114.2	128.8 Å²	128.8	80%	0.799	73%	0.73	S	S	*	*			trans	-78.1	146.7	151.9	-52.8	0	0	0	0	116.6
1410	P	48	Very low	38.5	Very low	115 Å²	115	125 Å²	125	75%	0.747	73%	0.726	S	S	*	*			trans	-90.2	169.1	170.2	37.4	-34	0	0	0	112	E1412	P1410-E1412 PolarHBondContact O-N 3.08Å
1411	P	41.3	Very low	38.9	Very low	121.6 Å²	121.6	128.1 Å²	128.1	79%	0.79	73%	0.734	S	S	*	*			trans	-106.4	166.2	141.4	32.6	-23.1	0	0	0	114.1
1412	E	37.6	Very low	39.2	Very low	172.2 Å²	172.2	134.7 Å²	134.7	81%	0.805	74%	0.744	S	S	*	*			trans	-39.5	143.6	166.1	-79.4	-178.1	138.7	0	0	115.4	P1410	P1410-E1412 PolarHBondContact O-N 3.08Å
1413	T	36.3	Very low	39.3	Very low	119.6 Å²	119.6	134.5 Å²	134.5	73%	0.734	74%	0.741	S	S	*	*				161.5	128.3	122.1	38	0	0	0	0	113.8	T1415	T1413-T1415 VanDerWaalsContact C-N 3.28Å; T1413-T1415 PolarHBondContact O-N 3.2Å
1414	L	37.2	Very low	39.5	Very low	154.6 Å²	154.6	136.6 Å²	136.6	81%	0.809	74%	0.743	S	S	*	*			trans	-153.9	111.2	138.8	-87.4	172.9	0	0	0	113.4	R1416	L1414-R1416 PolarHBondContact O-N 3.21Å
1415	T	38.5	Very low	39.4	Very low	117.8 Å²	117.8	135 Å²	135	72%	0.723	74%	0.744	S	S	*	*			trans	-85.6	135.7	147.6	-38.8	0	0	0	0	113.7	T1413 K1957	T1413-T1415 VanDerWaalsContact C-N 3.28Å; T1413-T1415 PolarHBondContact O-N 3.2Å; T1415-K1957 VanDerWaalsContact CG2-O 3.24Å; T1415-K1957 WeakPolarHBondContact CG2-O 3.41Å
1416	R	42.6	Very low	39.5	Very low	183.8 Å²	183.8	135.3 Å²	135.3	69%	0.694	75%	0.746	S	S	*	*			trans	-89.4	125	167.7	-66.4	178.7	92.7	-173.7	1.4	112	L1414 D1953 N1954 D1956 K1957 L1958 N1959	L1414-R1416 PolarHBondContact O-N 3.21Å; R1416-D1953 IonicContact NH2-OD1 3.19Å; R1416-N1954 PolarHBondContact NH1-OD1 2.87Å; R1416-N1954 PolarHBondContact NH2-OD1 3.48Å; R1416-D1956 VanDerWaalsContact CD-OD1 3.3Å; R1416-D1956 WeakPolarHBondContact CD-OD1 3.47Å; R1416-D1956 IonicContact CZ-OD1 3.13Å; R1416-D1956 IonicContact NE-OD1 2.64Å; R1416-D1956 PolarHBondContact NE-OD1 3.39Å; R1416-D1956 IonicContact NH1-OD1 2.69Å; R1416-D1956 PolarHBondContact NH1-OD1 3.13Å; R1416-D1956 VanDerWaalsContact NH1-OD1 3.13Å; R1416-D1956 IonicContact NH2-OD1 2.87Å; R1416-D1956 PolarHBondContact NH2-OD1 3.44Å; R1416-K1957 WeakPolarHBondContact CA-O 3.36Å; R1416-K1957 HydrophobicContact CB-CB 4.02Å; R1416-K1957 HydrophobicContact CG-CB 4.11Å; R1416-K1957 PolarHBondContact N-O 3.36Å; R1416-K1957 VanDerWaalsContact NE-N 3.19Å; R1416-K1957 VanDerWaalsContact NH2-CD 3.29Å; R1416-K1957 VanDerWaalsContact NH2-CE 3.26Å; R1416-L1958 CarbonylContact C-O 3.17Å; R1416-L1958 WeakPolarHBondContact CA-O 3.02Å; R1416-N1959 PolarHBondContact O-ND2 3.25Å
1417	L	41.7	Very low	39.4	Very low	141.4 Å²	141.4	131.4 Å²	131.4	74%	0.74	74%	0.744	S	S	*	*				164.6	128.6	74.9	-90.4	171.7	0	0	0	112.7	L1419 K1957 L1958 N1959 R1960	L1417-L1419 VanDerWaalsContact C-N 3.29Å; L1417-L1419 PolarHBondContact O-N 3.35Å; L1417-K1957 HydrophobicContact CD1-CD 4.47Å; L1417-K1957 HydrophobicContact CD2-CD 3.76Å; L1417-K1957 HydrophobicContact CG-CB 4.43Å; L1417-K1957 HydrophobicContact CG-CD 3.75Å; L1417-L1958 CarbonylContact C-O 3.57Å; L1417-L1958 VanDerWaalsContact C-O 3.27Å; L1417-L1958 WeakPolarHBondContact CA-O 3.11Å; L1417-L1958 PolarHBondContact N-O 3.39Å; L1417-N1959 CarbonylContact O-C 3.13Å; L1417-N1959 VanDerWaalsContact O-C 3.29Å; L1417-N1959 WeakPolarHBondContact O-CA 3.16Å; L1417-R1960 WeakPolarHBondContact O-CB 3.27Å; L1417-R1960 WeakPolarHBondContact O-CD 3.27Å; L1417-R1960 WeakPolarHBondContact O-CG 3.2Å
1418	S	40.1	Very low	39.7	Very low	90.6 Å²	90.6	132.6 Å²	132.6	63%	0.634	75%	0.747	S	S	*	*			trans	-98.1	129.4	166.7	-36.4	0	0	0	0	115	G1420 L1958 N1959 R1960	S1418-G1420 PolarHBondContact O-N 3.08Å; S1418-G1420 VanDerWaalsContact O-N 3.14Å; S1418-L1958 WeakPolarHBondContact OG-CB 3.34Å; S1418-L1958 WeakPolarHBondContact OG-CG 3.14Å; S1418-N1959 VanDerWaalsContact CA-O 3.27Å; S1418-N1959 WeakPolarHBondContact CA-O 3.33Å; S1418-N1959 WeakPolarHBondContact CB-O 3.36Å; S1418-N1959 PolarHBondContact OG-N 3.03Å; S1418-N1959 PolarHBondContact OG-O 3.09Å; S1418-R1960 PolarHBondContact O-NE 2.97Å; S1418-R1960 PolarHBondContact O-NH2 2.7Å
1419	L	44.1	Very low	39.8	Very low	162.4 Å²	162.4	134.8 Å²	134.8	85%	0.85	75%	0.745	S	S	*	*			trans	53.3	117.3	155.5	-67.5	168.9	0	0	0	114.2	L1417 M1421 R1960	L1417-L1419 VanDerWaalsContact C-N 3.29Å; L1417-L1419 PolarHBondContact O-N 3.35Å; L1419-M1421 PolarHBondContact O-N 2.75Å; L1419-R1960 VanDerWaalsContact O-CG 3.31Å; L1419-R1960 WeakPolarHBondContact O-CG 3.36Å; L1419-R1960 PolarHBondContact O-NE 2.46Å
1420	G	40	Very low	40.1	Very low	66.6 Å²	66.6	137.4 Å²	137.4	69%	0.687	74%	0.744	S	S	*	*				158.8	60.3	126.2	0	0	0	0	0	115.4	S1418 R1422 D1962	S1418-G1420 PolarHBondContact O-N 3.08Å; S1418-G1420 VanDerWaalsContact O-N 3.14Å; G1420-R1422 PolarHBondContact O-N 2.86Å; G1420-D1962 WeakPolarHBondContact CA-OD1 3.38Å; G1420-D1962 PolarHBondContact N-OD1 2.72Å
1421	M	39.3	Very low	39.6	Very low	149.2 Å²	149.2	139.3 Å²	139.3	74%	0.735	74%	0.743	S	S	*	*			trans	-93.4	113.7	172.4	-75.6	-67.7	-75.1	0	0	111.6	L1419 F1423	L1419-M1421 PolarHBondContact O-N 2.75Å; M1421-F1423 HydrophobicContact CB-CD2 4.06Å; M1421-F1423 HydrophobicContact CB-CE2 4.05Å; M1421-F1423 HydrophobicContact CE-CD2 4.43Å; M1421-F1423 HydrophobicContact CE-CE1 4.01Å; M1421-F1423 HydrophobicContact CE-CE2 3.82Å; M1421-F1423 HydrophobicContact CE-CZ 3.46Å; M1421-F1423 VanDerWaalsContact CE-CZ 3.4Å; M1421-F1423 HydrophobicContact CG-CE2 4.27Å; M1421-F1423 PolarHBondContact O-N 2.97Å
1422	R	44.9	Very low	39.5	Very low	232 Å²	232	138.6 Å²	138.6	88%	0.875	74%	0.74	S	S	*	*			trans	-121.5	112.3	152.3	-78.5	-175.3	146.9	-169.7	-4.3	111.4	G1420	G1420-R1422 PolarHBondContact O-N 2.86Å
1423	F	40.9	Very low	39.7	Very low	163.8 Å²	163.8	136.8 Å²	136.8	72%	0.718	73%	0.734	S	S	*	*			trans	-61.8	147.7	160.6	-71.8	-84	0	0	0	113.5	M1421 V1425	M1421-F1423 HydrophobicContact CB-CD2 4.06Å; M1421-F1423 HydrophobicContact CB-CE2 4.05Å; M1421-F1423 HydrophobicContact CE-CD2 4.43Å; M1421-F1423 HydrophobicContact CE-CE1 4.01Å; M1421-F1423 HydrophobicContact CE-CE2 3.82Å; M1421-F1423 HydrophobicContact CE-CZ 3.46Å; M1421-F1423 VanDerWaalsContact CE-CZ 3.4Å; M1421-F1423 HydrophobicContact CG-CE2 4.27Å; M1421-F1423 PolarHBondContact O-N 2.97Å; F1423-V1425 HydrophobicContact CB-CB 4.15Å; F1423-V1425 HydrophobicContact CB-CG2 4.1Å; F1423-V1425 HydrophobicContact CD1-CG2 3.6Å; F1423-V1425 HydrophobicContact CE1-CG2 4.24Å; F1423-V1425 HydrophobicContact CG-CG2 3.74Å; F1423-V1425 PolarHBondContact O-N 3.06Å
1424	P	45.4	Very low	39.8	Very low	103.4 Å²	103.4	141.6 Å²	141.6	67%	0.671	74%	0.739	S	S	*	*			trans	-99.4	148.2	143.7	29	-23.2	0	0	0	111.3
1425	V	36.7	Very low	39.9	Very low	121.2 Å²	121.2	139 Å²	139	74%	0.735	73%	0.732	S	S	*	*				52	119.1	125.3	-179.7	0	0	0	0	111.4	F1423 A1427	F1423-V1425 HydrophobicContact CB-CB 4.15Å; F1423-V1425 HydrophobicContact CB-CG2 4.1Å; F1423-V1425 HydrophobicContact CD1-CG2 3.6Å; F1423-V1425 HydrophobicContact CE1-CG2 4.24Å; F1423-V1425 HydrophobicContact CG-CG2 3.74Å; F1423-V1425 PolarHBondContact O-N 3.06Å; V1425-A1427 PolarHBondContact O-N 3.12Å
1426	S	36.3	Very low	39.9	Very low	96.2 Å²	96.2	139 Å²	139	67%	0.673	73%	0.732	S	S	*	*			trans	-80.9	125.1	163.8	47	0	0	0	0	114.3	K1969	S1426-K1969 PolarHBondContact O-NZ 2.69Å; S1426-K1969 WeakPolarHBondContact OG-CE 3.43Å; S1426-K1969 PolarHBondContact OG-NZ 3.15Å
1427	A	35.9	Very low	39.5	Very low	86.2 Å²	86.2	138.9 Å²	138.9	71%	0.712	74%	0.736	S	S	*	*			trans	-168.6	109.4	154	0	0	0	0	0	112.8	V1425 Y1429	V1425-A1427 PolarHBondContact O-N 3.12Å; A1427-Y1429 PolarHBondContact O-N 3.4Å
1428	T	39	Very low	39.2	Very low	121.8 Å²	121.8	137.6 Å²	137.6	75%	0.747	74%	0.737	S	S	*	*			trans	-99.1	139.9	137.3	9.3	0	0	0	0	111	H1430	T1428-H1430 PolarHBondContact O-N 3.24Å; T1428-H1430 VanDerWaalsContact O-N 3.16Å
1429	Y	36.5	Very low	38.9	Very low	198.2 Å²	198.2	138.2 Å²	138.2	78%	0.777	74%	0.741	S	S	*	*			trans	-41.2	136.2	159.2	-81.3	-99.4	0	0	0	113.4	A1427 E1431	A1427-Y1429 PolarHBondContact O-N 3.4Å; Y1429-E1431 VanDerWaalsContact C-N 3.34Å; Y1429-E1431 PolarHBondContact O-N 3.14Å
1430	H	39.8	Very low	38.4	Very low	166.8 Å²	166.8	136.8 Å²	136.8	77%	0.772	74%	0.739	S	S	*	*			trans	-115.9	122.5	134.6	-89.4	-80.6	0	0	0	112.6	T1428 C1432	T1428-H1430 PolarHBondContact O-N 3.24Å; T1428-H1430 VanDerWaalsContact O-N 3.16Å; H1430-C1432 PolarHBondContact O-N 3.08Å
1431	E	38.5	Very low	38	Very low	156 Å²	156	138 Å²	138	73%	0.729	74%	0.742	S	S	*	*			trans	-63	130.8	148.7	-157.5	174	-166.9	0	0	110.8	Y1429 I1433	Y1429-E1431 VanDerWaalsContact C-N 3.34Å; Y1429-E1431 PolarHBondContact O-N 3.14Å; E1431-I1433 HydrophobicContact CG-CD1 3.91Å; E1431-I1433 HydrophobicContact CG-CG1 3.92Å; E1431-I1433 PolarHBondContact O-N 3.22Å
1432	C	38.9	Very low	37.6	Very low	107 Å²	107	135.4 Å²	135.4	72%	0.723	75%	0.745	S	S	*	*			trans	-123.4	120.6	147.7	-93.4	0	0	0	0	110.4	H1430 R1434	H1430-C1432 PolarHBondContact O-N 3.08Å; C1432-R1434 VanDerWaalsContact C-N 3.34Å; C1432-R1434 PolarHBondContact O-N 3.19Å
1433	I	40.2	Very low	37.1	Very low	133.6 Å²	133.6	129.5 Å²	129.5	69%	0.685	74%	0.739	S	S	*	*			trans	37.5	109.4	149.3	-62.8	169.9	0	0	0	112.8	E1431 P1435 W1452 S1453	E1431-I1433 HydrophobicContact CG-CD1 3.91Å; E1431-I1433 HydrophobicContact CG-CG1 3.92Å; E1431-I1433 PolarHBondContact O-N 3.22Å; I1433-P1435 VanDerWaalsContact O-CD 3.29Å; I1433-P1435 WeakPolarHBondContact O-CD 2.99Å; I1433-W1452 WeakPolarHBondContact CG2-O 3.39Å; I1433-S1453 WeakPolarHBondContact O-CA 3.46Å; I1433-S1453 PolarHBondContact O-OG 3.23Å
1434	R	40.1	Very low	36.8	Very low	220.8 Å²	220.8	125.5 Å²	125.5	83%	0.833	74%	0.736	S	S	*	*			trans	-53.1	156.7	156.4	-59.3	176.5	175.7	171.6	-3.3	110.4	C1432 T1436 K1451 S1453	C1432-R1434 VanDerWaalsContact C-N 3.34Å; C1432-R1434 PolarHBondContact O-N 3.19Å; R1434-T1436 PolarHBondContact O-N 3Å; R1434-K1451 WeakPolarHBondContact O-CE 3.38Å; R1434-S1453 VanDerWaalsContact C-CB 3.46Å; R1434-S1453 WeakPolarHBondContact CA-OG 3.35Å
1435	P	39	Very low	36.2	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	74%	0.738	S	S	*	*				-114.1	155.1	63.2	16.8	0.2	0	0	0	113.7	I1433 K1437 K1451 S1453	I1433-P1435 VanDerWaalsContact O-CD 3.29Å; I1433-P1435 WeakPolarHBondContact O-CD 2.99Å; P1435-K1437 PolarHBondContact O-N 3.33Å; P1435-K1437 VanDerWaalsContact O-N 3.15Å; P1435-K1451 HydrophobicContact CG-CB 4.39Å; P1435-S1453 VanDerWaalsContact C-CB 3.43Å; P1435-S1453 VanDerWaalsContact CA-OG 3.3Å; P1435-S1453 WeakPolarHBondContact CA-OG 3.33Å; P1435-S1453 VanDerWaalsContact N-CB 3.32Å; P1435-S1453 WeakPolarHBondContact O-CB 3.42Å
1436	T	38.4	Very low	36.1	Very low	116.8 Å²	116.8	122.8 Å²	122.8	72%	0.717	74%	0.735	S	S	*	*			trans	-131.6	139.7	145.5	38.3	0	0	0	0	111.6	R1434 P1438	R1434-T1436 PolarHBondContact O-N 3Å; T1436-P1438 VanDerWaalsContact O-CD 3.31Å; T1436-P1438 WeakPolarHBondContact O-CD 3.5Å
1437	K	33	Very low	35.9	Very low	181.8 Å²	181.8	124.1 Å²	124.1	79%	0.79	74%	0.739	S	S	*	*			trans	-82.8	157.7	156.7	-77.6	-177.6	-178	-179.2	0	109.1	P1435 S1439	P1435-K1437 PolarHBondContact O-N 3.33Å; P1435-K1437 VanDerWaalsContact O-N 3.15Å; K1437-S1439 PolarHBondContact O-N 3.31Å
1438	P	36.4	Very low	35.8	Very low	115 Å²	115	124 Å²	124	75%	0.747	73%	0.733	S	S	*	*			cis	-95.9	163.1	-24.6	32.4	-24.6	0	0	0	111.4	T1436 T1440	T1436-P1438 VanDerWaalsContact O-CD 3.31Å; T1436-P1438 WeakPolarHBondContact O-CD 3.5Å; P1438-T1440 PolarHBondContact O-N 3.21Å
1439	S	32.6	Very low	35.3	Very low	103.2 Å²	103.2	124.2 Å²	124.2	72%	0.722	73%	0.729	S	S	*	*			trans	-33.6	136.6	145.2	-150.8	0	0	0	0	112.9	K1437 A1441	K1437-S1439 PolarHBondContact O-N 3.31Å; S1439-A1441 PolarHBondContact O-N 3.25Å
1440	T	33.6	Very low	35.1	Very low	133.2 Å²	133.2	125.1 Å²	125.1	82%	0.817	73%	0.731	S	S	*	*			cis	-123.4	148.6	14.8	-29	0	0	0	0	109.6	P1438	P1438-T1440 PolarHBondContact O-N 3.21Å
1441	A	31.5	Very low	34.7	Very low	91 Å²	91	124.7 Å²	124.7	75%	0.752	73%	0.727	S	S	*	*			trans	-99.5	151.5	179.6	0	0	0	0	0	114.7	S1439	S1439-A1441 PolarHBondContact O-N 3.25Å
1442	A	32.5	Very low	34.2	Very low	95 Å²	95	127.9 Å²	127.9	79%	0.785	73%	0.733	S	S	*	*				165.7	131.1	95.4	0	0	0	0	0	113.8
1443	S	33.4	Very low	33.9	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	73%	0.725	S	S	*	*				120.4	125.5	82.8	179.9	0	0	0	0	113.4	F1524	S1443-F1524 WeakPolarHBondContact O-CB 3.28Å
1444	A	34.2	Very low	33.4	Very low	79.2 Å²	79.2	125.5 Å²	125.5	66%	0.655	72%	0.72	S	S	*	*			cis	162.1	155.1	11.4	0	0	0	0	0	113.1	F1524 S1525	A1444-F1524 WeakPolarHBondContact O-CB 3.08Å; A1444-F1524 WeakPolarHBondContact O-CD1 3.35Å; A1444-F1524 VanDerWaalsContact O-CD2 3.31Å; A1444-F1524 WeakPolarHBondContact O-CD2 3.3Å; A1444-F1524 WeakPolarHBondContact O-CG 2.99Å; A1444-S1525 PolarHBondContact O-OG 2.83Å
1445	A	34	Very low	33.1	Very low	86.8 Å²	86.8	120.7 Å²	120.7	72%	0.717	71%	0.707	S	S	*	*				109	109.2	103.3	0	0	0	0	0	117.6	S1525 R1526 L1554	A1445-S1525 PolarHBondContact N-OG 2.79Å; A1445-R1526 VanDerWaalsContact O-CZ 3.31Å; A1445-R1526 PolarHBondContact O-NE 2.77Å; A1445-R1526 PolarHBondContact O-NH2 3.44Å; A1445-L1554 HydrophobicContact CB-CD2 4.02Å
1446	A	33.8	Very low	32.9	Very low	81.4 Å²	81.4	122.5 Å²	122.5	67%	0.673	71%	0.707	S	S	*	*			trans	166.6	131.3	134	0	0	0	0	0	115.3	S1448 R1526 L1554	A1446-S1448 PolarHBondContact O-N 3.03Å; A1446-R1526 HydrophobicContact CB-CB 4.42Å; A1446-L1554 HydrophobicContact CB-CD1 4.48Å
1447	V	32.2	Very low	32.9	Very low	123.6 Å²	123.6	122.8 Å²	122.8	75%	0.749	70%	0.703	S	S	*	*			trans	76.3	111.2	159.9	-179.3	0	0	0	0	115.4	T1091	T1091-V1447 HydrophobicContact CG2-CG1 3.4Å; T1091-V1447 VanDerWaalsContact CG2-CG1 3.4Å
1448	S	33.5	Very low	33.1	Very low	83.6 Å²	83.6	117.6 Å²	117.6	59%	0.585	69%	0.69	S	S	*	*			trans	-104.2	121.7	161.4	-176.2	0	0	0	0	115.7	A1446 S1928 C1929 S1930	A1446-S1448 PolarHBondContact O-N 3.03Å; S1448-S1928 WeakPolarHBondContact CB-O 3.4Å; S1448-S1928 PolarHBondContact OG-O 2.97Å; S1448-C1929 WeakPolarHBondContact OG-CA 3.27Å; S1448-C1929 WeakPolarHBondContact OG-CB 3.38Å; S1448-C1929 PolarHBondContact OG-O 3.02Å; S1448-S1930 VanDerWaalsContact CB-OG 3.3Å; S1448-S1930 WeakPolarHBondContact CB-OG 3.4Å; S1448-S1930 WeakPolarHBondContact OG-CB 3.38Å; S1448-S1930 PolarHBondContact OG-OG 3.15Å
1449	N	29.6	Very low	33.2	Very low	125.8 Å²	125.8	118.4 Å²	118.4	67%	0.673	69%	0.688	S	S	*	*			trans	148	125	134.1	-85.9	-50.5	0	0	0	113
1450	R	32.4	Very low	33.4	Very low	217.6 Å²	217.6	119.3 Å²	119.3	82%	0.821	69%	0.685	S	S	*	*				-164.7	146.6	85.9	-133.4	177.4	-133.5	-147.6	-0.3	108.7	W1452 C1929	R1450-W1452 VanDerWaalsContact NH1-CZ2 3.32Å; R1450-C1929 PolarHBondContact O-SG 3.27Å
1451	K	30.5	Very low	33.7	Very low	157.6 Å²	157.6	119.2 Å²	119.2	69%	0.685	68%	0.679	S	S	*	*			trans	-72.2	134.8	164.3	-71.7	-175.8	158	-179	0	111.7	R1434 P1435	R1434-K1451 WeakPolarHBondContact O-CE 3.38Å; P1435-K1451 HydrophobicContact CG-CB 4.39Å
1452	W	28.4	Very low	34.3	Very low	224 Å²	224	121.8 Å²	121.8	85%	0.848	68%	0.68	S	S	*	*			trans	71.1	136.9	140.3	-63.6	-14.2	0	0	0	115	I1433 R1450	I1433-W1452 WeakPolarHBondContact CG2-O 3.39Å; R1450-W1452 VanDerWaalsContact NH1-CZ2 3.32Å
1453	S	32.9	Very low	34.9	Very low	81.4 Å²	81.4	124.2 Å²	124.2	57%	0.569	68%	0.68	S	S	*	*			trans	-173.5	132.2	151.9	-175	0	0	0	0	111	I1433 R1434 P1435 E1936	I1433-S1453 WeakPolarHBondContact O-CA 3.46Å; I1433-S1453 PolarHBondContact O-OG 3.23Å; R1434-S1453 VanDerWaalsContact C-CB 3.46Å; R1434-S1453 WeakPolarHBondContact CA-OG 3.35Å; P1435-S1453 VanDerWaalsContact C-CB 3.43Å; P1435-S1453 VanDerWaalsContact CA-OG 3.3Å; P1435-S1453 WeakPolarHBondContact CA-OG 3.33Å; P1435-S1453 VanDerWaalsContact N-CB 3.32Å; P1435-S1453 WeakPolarHBondContact O-CB 3.42Å; S1453-E1936 VanDerWaalsContact C-OE1 3.31Å; S1453-E1936 PolarHBondContact N-OE1 3.31Å; S1453-E1936 WeakPolarHBondContact O-CG 3.49Å; S1453-E1936 VanDerWaalsContact O-OE1 3.09Å
1454	N	29.8	Very low	35.2	Very low	108.6 Å²	108.6	122.1 Å²	122.1	58%	0.581	68%	0.676	S	S	*	*				56.8	135.3	127.3	-61.3	-11.5	0	0	0	114.4	K825 S1844	K825-N1454 HydrophobicContact CD-CB 4.44Å; K825-N1454 WeakPolarHBondContact CE-OD1 3.12Å; K825-N1454 PolarHBondContact NZ-OD1 2.77Å; N1454-S1844 WeakPolarHBondContact ND2-CA 3.27Å; N1454-S1844 PolarHBondContact ND2-N 3.38Å
1455	H	33.1	Very low	35.4	Very low	119.4 Å²	119.4	121.7 Å²	121.7	55%	0.553	68%	0.679	S	S	*	*				180	134.7	122.1	-119.9	-93.5	0	0	0	115.3	H824 K825 E1841 H1843 S1844 E1936 K1937	H824-H1455 AromaticContact CE1-CD2 3.86Å; H824-H1455 AromaticContact CE1-CG 3.58Å; H824-H1455 AromaticContact CE1-ND1 3.92Å; H824-H1455 AromaticContact CG-CD2 3.91Å; H824-H1455 AromaticContact ND1-CD2 3.1Å; H824-H1455 PolarHBondContact ND1-CD2 2.84Å; H824-H1455 AromaticContact ND1-CE1 3.54Å; H824-H1455 AromaticContact ND1-CG 3.21Å; H824-H1455 AromaticContact ND1-ND1 3.43Å; H824-H1455 PolarHBondContact ND1-ND1 2.92Å; H824-H1455 AromaticContact ND1-NE2 3.38Å; H824-H1455 PolarHBondContact ND1-NE2 3.21Å; K825-H1455 VanDerWaalsContact CB-NE2 3.34Å; K825-H1455 WeakPolarHBondContact CB-NE2 3.45Å; K825-H1455 WeakPolarHBondContact CD-NE2 3.39Å; K825-H1455 VanDerWaalsContact CG-NE2 3.26Å; K825-H1455 WeakPolarHBondContact CG-NE2 3.29Å; K825-H1455 PolarHBondContact NZ-CD2 2.92Å; K825-H1455 PolarHBondContact NZ-NE2 3.01Å; H1455-E1841 PolarHBondContact N-OE1 2.84Å; H1455-H1843 AromaticContact CD2-CE1 3.86Å; H1455-H1843 AromaticContact CD2-ND1 3.42Å; H1455-H1843 PolarHBondContact CD2-ND1 2.7Å; H1455-H1843 AromaticContact CE1-CE1 3.45Å; H1455-H1843 PolarHBondContact CE1-CE1 2.89Å; H1455-H1843 VanDerWaalsContact CE1-CE1 3.45Å; H1455-H1843 AromaticContact CE1-ND1 3.66Å; H1455-H1843 AromaticContact CG-CE1 3.62Å; H1455-H1843 AromaticContact CG-ND1 3.6Å; H1455-H1843 AromaticContact ND1-CE1 3.37Å; H1455-H1843 PolarHBondContact ND1-CE1 2.69Å; H1455-H1843 AromaticContact ND1-ND1 3.76Å; H1455-H1843 AromaticContact NE2-CE1 3.77Å; H1455-H1843 AromaticContact NE2-ND1 3.48Å; H1455-H1843 PolarHBondContact NE2-ND1 2.76Å; H1455-S1844 PolarHBondContact CD2-OG 3.2Å; H1455-S1844 PolarHBondContact NE2-OG 2.72Å; H1455-S1844 VanDerWaalsContact NE2-OG 3.15Å; H1455-E1936 WeakPolarHBondContact O-CA 3.5Å; H1455-K1937 HydrophobicContact CB-CB 3.8Å; H1455-K1937 HydrophobicContact CB-CG 3.99Å
1456	H	35.5	Very low	35.7	Very low	139.4 Å²	139.4	125.3 Å²	125.3	65%	0.645	68%	0.681	S	S	*	*			trans	120.9	0	154.5	-118.2	-107	0	0	0	115.3	E1841 W1842 H1843 K1938	H1456-E1841 WeakPolarHBondContact O-CB 3.16Å; H1456-W1842 VanDerWaalsContact C-CB 3.49Å; H1456-W1842 VanDerWaalsContact C-CE3 3.4Å; H1456-W1842 HydrophobicContact CB-CD2 3.46Å; H1456-W1842 VanDerWaalsContact CB-CD2 3.46Å; H1456-W1842 HydrophobicContact CB-CE3 3.83Å; H1456-W1842 HydrophobicContact CB-CG 4.49Å; H1456-W1842 HydrophobicContact CB-CH2 3.86Å; H1456-W1842 HydrophobicContact CB-CZ2 3.58Å; H1456-W1842 HydrophobicContact CB-CZ3 3.97Å; H1456-W1842 AromaticContact ND1-CE3 3.94Å; H1456-W1842 AromaticContact ND1-CZ3 3.68Å; H1456-W1842 PolarHBondContact O-NE1 3.17Å; H1456-H1843 WeakPolarHBondContact CA-NE2 3.46Å; H1456-H1843 AromaticContact CD2-CE1 3.81Å; H1456-H1843 AromaticContact CE1-CE1 3.75Å; H1456-H1843 AromaticContact CE1-NE2 3.9Å; H1456-H1843 AromaticContact CG-CE1 3.55Å; H1456-H1843 AromaticContact CG-NE2 3.71Å; H1456-H1843 PolarHBondContact N-CE1 2.82Å; H1456-H1843 PolarHBondContact N-ND1 3.25Å; H1456-H1843 PolarHBondContact N-NE2 2.7Å; H1456-H1843 AromaticContact ND1-CE1 3.53Å; H1456-H1843 AromaticContact ND1-NE2 3.39Å; H1456-H1843 PolarHBondContact ND1-NE2 2.58Å; H1456-H1843 AromaticContact NE2-CE1 3.91Å; H1456-K1938 CarbonylContact O-C 3.6Å; H1456-K1938 VanDerWaalsContact O-CA 3.32Å; H1456-K1938 WeakPolarHBondContact O-CA 3.12Å; H1456-K1938 PolarHBondContact O-N 2.81Å; H1456-K1938 VanDerWaalsContact O-N 3.17Å
1457	L	38	Very low	36.1	Very low	123.2 Å²	123.2	128.5 Å²	128.5	65%	0.645	69%	0.687	S	S	*	*				0	139.9	0	-80	171.8	0	0	0	115.2	W1842 K1938 V1939	L1457-W1842 HydrophobicContact CB-CD2 4.22Å; L1457-W1842 HydrophobicContact CB-CG 4.26Å; L1457-W1842 HydrophobicContact CD2-CZ2 4.08Å; L1457-W1842 VanDerWaalsContact N-CE3 3.31Å; L1457-W1842 WeakPolarHBondContact O-CB 3.19Å; L1457-W1842 VanDerWaalsContact O-CE3 3.27Å; L1457-K1938 CarbonylContact C-O 3.5Å; L1457-K1938 WeakPolarHBondContact CA-O 3.24Å; L1457-K1938 PolarHBondContact N-O 3.14Å; L1457-K1938 VanDerWaalsContact N-O 3.08Å; L1457-K1938 CarbonylContact O-C 3.58Å; L1457-K1938 VanDerWaalsContact O-C 3.25Å; L1457-V1939 WeakPolarHBondContact O-CA 3.19Å; L1457-V1939 PolarHBondContact O-N 3.15Å
1458	S	37.3	Very low	36.6	Very low	72.4 Å²	72.4	128.9 Å²	128.9	51%	0.506	69%	0.685	S	S	.	*			cis	121.3	142.6	3.3	66.9	0	0	0	0	112.8	K1938 V1939 D1940	S1458-K1938 CarbonylContact O-C 3.51Å; S1458-V1939 PolarHBondContact O-N 2.92Å; S1458-V1939 VanDerWaalsContact OG-CA 3.31Å; S1458-V1939 WeakPolarHBondContact OG-CA 3.08Å; S1458-D1940 PolarHBondContact OG-N 2.73Å
1459	D	38.4	Very low	37	Very low	131.6 Å²	131.6	131.2 Å²	131.2	70%	0.704	69%	0.691	S	S	*	*			trans	-161.1	147	141	-64.1	-60.4	0	0	0	110.5	D1940	D1459-D1940 CarbonylContact C-O 3.59Å; D1459-D1940 PolarHBondContact N-O 3.07Å
1460	N	37.5	Very low	37.7	Very low	122.8 Å²	122.8	131.6 Å²	131.6	66%	0.657	69%	0.693	S	S	*	*				111.5	130.1	94.5	-80.1	12.2	0	0	0	112.5
1461	D	39.9	Very low	38.2	Very low	130.8 Å²	130.8	127.5 Å²	127.5	70%	0.699	69%	0.687	S	S	*	*				164.6	152.7	101.1	-76	-38.5	0	0	0	114	R1526	D1461-R1526 VanDerWaalsContact CG-CZ 3.48Å; D1461-R1526 VanDerWaalsContact CG-NH1 3.3Å; D1461-R1526 IonicContact OD1-CZ 2.81Å; D1461-R1526 IonicContact OD1-NH1 3.22Å; D1461-R1526 IonicContact OD1-NH2 2.67Å; D1461-R1526 PolarHBondContact OD1-NH2 2.98Å; D1461-R1526 IonicContact OD2-CZ 2.73Å; D1461-R1526 IonicContact OD2-NH1 3.6Å; D1461-R1526 PolarHBondContact OD2-NH1 3.36Å; D1461-R1526 IonicContact OD2-NH2 3.54Å; D1461-R1526 PolarHBondContact OD2-NH2 3.47Å
1462	D	44.2	Very low	38.9	Very low	146.2 Å²	146.2	127.1 Å²	127.1	78%	0.782	69%	0.693	S	S	*	*			trans	83.3	149.1	157	-88.2	-25.9	0	0	0	117.9	R1526	D1462-R1526 VanDerWaalsContact CG-NH2 3.25Å; D1462-R1526 IonicContact OD1-CZ 3.22Å; D1462-R1526 IonicContact OD1-NE 3.6Å; D1462-R1526 IonicContact OD1-NH2 2.64Å; D1462-R1526 PolarHBondContact OD1-NH2 2.93Å; D1462-R1526 IonicContact OD2-CZ 2.71Å; D1462-R1526 VanDerWaalsContact OD2-CZ 3.22Å; D1462-R1526 IonicContact OD2-NE 3.57Å; D1462-R1526 PolarHBondContact OD2-NE 3.22Å; D1462-R1526 IonicContact OD2-NH2 3.15Å; D1462-R1526 PolarHBondContact OD2-NH2 3.39Å
1463	D	45.3	Very low	39.4	Very low	144.2 Å²	144.2	120.6 Å²	120.6	77%	0.771	69%	0.686	S	S	*	*				142.9	136.4	122.5	-157.8	15.1	0	0	0	113.3
1464	G	39.3	Very low	39.8	Very low	65.4 Å²	65.4	124.4 Å²	124.4	67%	0.674	70%	0.699	S	S	*	*			trans	110.1	141	149.9	0	0	0	0	0	115.6
1465	G	38.4	Very low	40.1	Very low	70.8 Å²	70.8	123.5 Å²	123.5	73%	0.73	70%	0.701	S	S	*	*			trans	123.4	138.9	139.8	0	0	0	0	0	112.7
1466	E	40.7	Very low	40.4	Very low	162.2 Å²	162.2	125.7 Å²	125.7	76%	0.758	71%	0.712	S	S	*	*				83.4	137.2	54.7	-57.1	-173.8	171	0	0	113.4	T2065 G2066	E1466-T2065 HydrophobicContact CB-CG2 4.48Å; E1466-T2065 HydrophobicContact CG-CG2 3.92Å; E1466-T2065 WeakPolarHBondContact OE1-CA 3.32Å; E1466-T2065 WeakPolarHBondContact OE2-CA 3.49Å; E1466-T2065 WeakPolarHBondContact OE2-CG2 3.31Å; E1466-G2066 PolarHBondContact OE2-N 2.92Å
1467	D	41.1	Very low	40.4	Very low	148.2 Å²	148.2	126.4 Å²	126.4	79%	0.793	72%	0.72	S	S	*	*				-131.7	143.9	110	-51.1	-47.2	0	0	0	113.3
1468	D	43	Very low	40.2	Very low	131.6 Å²	131.6	125 Å²	125	70%	0.704	72%	0.72	S	S	*	*			trans	-162	155.7	143.6	-97.1	-14.3	0	0	0	111.8
1469	D	42.1	Very low	39.9	Very low	133 Å²	133	126 Å²	126	71%	0.711	73%	0.727	S	S	*	*				108.8	133.9	123.1	-70	-19.5	0	0	0	115.9
1470	D	43.7	Very low	39.7	Very low	133.6 Å²	133.6	124.4 Å²	124.4	71%	0.714	73%	0.727	S	S	*	*				152.8	152.8	118.9	-95.7	-12.4	0	0	0	115.9
1471	D	44.1	Very low	39.4	Very low	130.8 Å²	130.8	126 Å²	126	70%	0.699	73%	0.734	S	S	*	*			trans	51.8	142.6	141.8	-89.7	-27.6	0	0	0	117.4
1472	D	43.8	Very low	38.9	Very low	149.8 Å²	149.8	124.7 Å²	124.7	80%	0.801	74%	0.735	S	S	*	*				107.1	101.7	129	-106.7	-23.8	0	0	0	116.9	L1474	D1472-L1474 PolarHBondContact O-N 3.38Å; D1472-L1474 VanDerWaalsContact O-N 3.07Å
1473	A	39.4	Very low	38.2	Very low	86.2 Å²	86.2	123.3 Å²	123.3	71%	0.712	74%	0.736	S	S	*	*			trans	-112.8	90.6	-174.6	0	0	0	0	0	113	S1475	A1473-S1475 WeakPolarHBondContact O-CB 3.25Å; A1473-S1475 PolarHBondContact O-N 2.97Å
1474	L	40.4	Very low	37.5	Very low	162 Å²	162	120.9 Å²	120.9	85%	0.848	73%	0.73	S	S	*	*			trans	-133.2	97.2	162.6	-71.3	177.7	0	0	0	111.8	D1472	D1472-L1474 PolarHBondContact O-N 3.38Å; D1472-L1474 VanDerWaalsContact O-N 3.07Å
1475	S	37.2	Very low	37.1	Very low	89 Å²	89	122.8 Å²	122.8	62%	0.622	73%	0.729	S	S	*	*				-178.7	124.3	87.4	-84.8	0	0	0	0	112.6	A1473	A1473-S1475 WeakPolarHBondContact O-CB 3.25Å; A1473-S1475 PolarHBondContact O-N 2.97Å
1476	Q	39.1	Very low	36.9	Very low	166.4 Å²	166.4	125.4 Å²	125.4	78%	0.778	73%	0.726	S	S	*	*			trans	104.3	93.9	133.9	-65.1	-167.5	44.9	0	0	116.8
1477	L	36.4	Very low	36.7	Very low	154.6 Å²	154.6	122.8 Å²	122.8	81%	0.809	72%	0.717	S	S	*	*				-152.3	101	125.2	-65.8	-176.1	0	0	0	113.1
1478	S	32.8	Very low	36.5	Very low	92.6 Å²	92.6	119.4 Å²	119.4	65%	0.648	71%	0.705	S	S	*	*				-151.7	135.7	124	-72.3	0	0	0	0	113.2
1479	S	31.2	Very low	36.1	Very low	93.4 Å²	93.4	121 Å²	121	65%	0.653	71%	0.706	S	S	*	*			trans	53	130.5	154.4	-44.1	0	0	0	0	117.1	R1622	S1479-R1622 PolarHBondContact OG-NH2 3.02Å
1480	S	33.7	Very low	35.9	Very low	99.4 Å²	99.4	125.9 Å²	125.9	70%	0.695	71%	0.714	S	S	*	*				104.7	139.4	85.2	-60.2	0	0	0	0	117.5	S1482	S1480-S1482 PolarHBondContact O-N 2.93Å
1481	L	30.7	Very low	35.4	Very low	156 Å²	156	126 Å²	126	82%	0.817	72%	0.715	S	S	*	*			trans	111.5	108.8	135.9	-72.3	175	0	0	0	115.7
1482	S	31.4	Very low	35.2	Very low	103.6 Å²	103.6	124.7 Å²	124.7	72%	0.724	71%	0.714	S	S	*	*			trans	-123	137.8	155.1	-60.4	0	0	0	0	114.8	S1480	S1480-S1482 PolarHBondContact O-N 2.93Å
1483	C	29	Very low	34.8	Very low	116.2 Å²	116.2	122.1 Å²	122.1	79%	0.785	71%	0.707	S	S	*	*			trans	101.9	130.8	137.2	-65.1	0	0	0	0	115.9	L840	L840-C1483 CarbonylContact O-C 3.37Å
1484	S	30.1	Very low	34.6	Very low	94 Å²	94	124.6 Å²	124.6	66%	0.657	71%	0.709	S	S	*	*				99.5	136.7	124.8	-135.9	0	0	0	0	118	K839 L840	K839-S1484 WeakPolarHBondContact CA-O 2.96Å; L840-S1484 CarbonylContact C-O 3.26Å; L840-S1484 VanDerWaalsContact CA-C 3.47Å; L840-S1484 VanDerWaalsContact CA-O 3.25Å; L840-S1484 WeakPolarHBondContact CA-O 3.48Å; L840-S1484 PolarHBondContact N-O 2.78Å; L840-S1484 CarbonylContact O-C 3.15Å; L840-S1484 WeakPolarHBondContact O-CA 3.24Å; L840-S1484 PolarHBondContact O-N 2.83Å
1485	T	31.2	Very low	34.4	Very low	105.2 Å²	105.2	123.8 Å²	123.8	65%	0.645	70%	0.704	S	S	*	*			trans	102.1	150.8	142.1	46.3	0	0	0	0	116.8	K839	K839-T1485 WeakPolarHBondContact CE-O 3.34Å; K839-T1485 PolarHBondContact NZ-O 2.89Å
1486	N	33.9	Very low	34.3	Very low	125.8 Å²	125.8	123.3 Å²	123.3	67%	0.673	71%	0.705	S	S	*	*			trans	90.8	132.6	146.1	-81.6	-12.2	0	0	0	118.4	E842 R843	E842-N1486 VanDerWaalsContact CA-N 3.26Å; E842-N1486 PolarHBondContact O-OD1 2.88Å; E842-N1486 WeakPolarHBondContact OE1-CA 3.41Å; E842-N1486 PolarHBondContact OE1-N 2.75Å; R843-N1486 VanDerWaalsContact CA-OD1 3.31Å; R843-N1486 WeakPolarHBondContact CA-OD1 3.17Å; R843-N1486 HydrophobicContact CB-CB 4.14Å; R843-N1486 HydrophobicContact CG-CB 3.98Å; R843-N1486 PolarHBondContact N-OD1 3.5Å; R843-N1486 PolarHBondContact NH2-O 3.25Å
1487	D	36	Very low	34.4	Very low	107.2 Å²	107.2	124.1 Å²	124.1	57%	0.573	71%	0.706	S	S	*	*			trans	152.7	124.3	137.8	-125.6	-21.1	0	0	0	114.4	E842 R843 K1489	E842-D1487 WeakPolarHBondContact CG-O 3.25Å; E842-D1487 PolarHBondContact OE1-N 3.34Å; R843-D1487 VanDerWaalsContact CB-C 3.45Å; R843-D1487 WeakPolarHBondContact CB-O 3.47Å; R843-D1487 VanDerWaalsContact CZ-CA 3.45Å; R843-D1487 IonicContact CZ-OD1 3.14Å; R843-D1487 PolarHBondContact N-O 2.96Å; R843-D1487 IonicContact NH1-OD1 2.69Å; R843-D1487 PolarHBondContact NH1-OD1 3.36Å; R843-D1487 IonicContact NH2-OD1 2.73Å; R843-D1487 PolarHBondContact NH2-OD1 3.1Å; R843-D1487 IonicContact NH2-OD2 3.2Å; R843-D1487 PolarHBondContact NH2-OD2 2.92Å; D1487-K1489 IonicContact OD1-NZ 3.34Å; D1487-K1489 PolarHBondContact OD1-NZ 3.05Å; D1487-K1489 IonicContact OD2-NZ 2.8Å; D1487-K1489 PolarHBondContact OD2-NZ 2.67Å
1488	S	36.8	Very low	34.4	Very low	76 Å²	76	127.6 Å²	127.6	53%	0.531	71%	0.709	S	S	.	*				142.2	126.2	90.3	-85.9	0	0	0	0	116.1
1489	K	35.1	Very low	34.5	Very low	167 Å²	167	131.2 Å²	131.2	73%	0.726	71%	0.713	S	S	*	*			trans	58.7	142.6	141	-74.3	165.7	-177	166.6	0	117.8	D1487 D1491	D1487-K1489 IonicContact OD1-NZ 3.34Å; D1487-K1489 PolarHBondContact OD1-NZ 3.05Å; D1487-K1489 IonicContact OD2-NZ 2.8Å; D1487-K1489 PolarHBondContact OD2-NZ 2.67Å; K1489-D1491 IonicContact NZ-OD1 3.8Å; K1489-D1491 PolarHBondContact NZ-OD1 3.06Å
1490	R	38.5	Very low	34.7	Very low	234.4 Å²	234.4	133.1 Å²	133.1	89%	0.885	72%	0.715	S	S	*	*			trans	161.3	130	150.1	-88.8	179.1	177.9	-179.8	-1.1	114.3
1491	D	33.1	Very low	34.5	Very low	136.2 Å²	136.2	135.6 Å²	135.6	73%	0.728	72%	0.715	S	S	*	*			trans	-62.2	156.4	142.9	-119.3	-16.7	0	0	0	112.1	K1489 S1493	K1489-D1491 IonicContact NZ-OD1 3.8Å; K1489-D1491 PolarHBondContact NZ-OD1 3.06Å; D1491-S1493 PolarHBondContact OD1-N 3.01Å
1492	P	40.4	Very low	34.8	Very low	104 Å²	104	136.6 Å²	136.6	68%	0.675	71%	0.713	S	S	*	*			cis	-141.5	159.1	13.7	38.2	-20	0	0	0	116.3
1493	S	35.2	Very low	34.9	Very low	94.2 Å²	94.2	136.4 Å²	136.4	66%	0.659	71%	0.712	S	S	*	*			trans	89.2	147.5	136.2	73.9	0	0	0	0	119.1	D1491	D1491-S1493 PolarHBondContact OD1-N 3.01Å
1494	N	33.7	Very low	35.1	Very low	139.8 Å²	139.8	136.3 Å²	136.3	75%	0.748	71%	0.708	S	S	*	*				78.5	145.3	116.4	-88.5	-48.6	0	0	0	117.9
1495	L	36.4	Very low	35.3	Very low	145.4 Å²	145.4	138.8 Å²	138.8	76%	0.761	71%	0.714	S	S	*	*				113.8	126.3	90.3	-117.4	86.9	0	0	0	115.9
1496	A	35.2	Very low	35.4	Very low	77.4 Å²	77.4	141.6 Å²	141.6	64%	0.64	72%	0.717	S	S	*	*				98.2	131.9	123.1	0	0	0	0	0	120
1497	K	40.9	Very low	35.6	Very low	184.2 Å²	184.2	141.9 Å²	141.9	80%	0.801	72%	0.718	S	S	*	*			trans	73	119.2	145.7	-61.1	160.5	-172.4	168	0	118.1
1498	R	37.1	Very low	35.5	Very low	227.6 Å²	227.6	142.6 Å²	142.6	86%	0.859	72%	0.722	S	S	*	*				147.8	138.5	103.3	-86.4	164.5	134.3	130.1	-5.6	110.8
1499	K	34.9	Very low	35.3	Very low	169.2 Å²	169.2	145.5 Å²	145.5	74%	0.736	73%	0.727	S	S	*	*			cis	110.3	131.5	45.4	-153.6	-178.5	177.5	-173.1	0	113.4
1500	L	34.9	Very low	35.3	Very low	132 Å²	132	143.5 Å²	143.5	69%	0.691	72%	0.723	S	S	*	*			trans	93	136.2	143.8	-90.2	139.7	0	0	0	114.8	F1502	L1500-F1502 HydrophobicContact CD2-CD2 4.08Å; L1500-F1502 HydrophobicContact CD2-CE2 3.73Å; L1500-F1502 HydrophobicContact CD2-CZ 4.21Å; L1500-F1502 HydrophobicContact CG-CE2 4.34Å
1501	H	30.4	Very low	35.2	Very low	151.6 Å²	151.6	139.8 Å²	139.8	70%	0.702	71%	0.714	S	S	*	*				163.8	130.7	124.5	-128.5	-86	0	0	0	113.9
1502	F	35.7	Very low	35.2	Very low	177.8 Å²	177.8	139 Å²	139	78%	0.78	71%	0.71	S	S	*	*			trans	90.1	131.4	172.3	-64.5	-68.3	0	0	0	114.3	L1500	L1500-F1502 HydrophobicContact CD2-CD2 4.08Å; L1500-F1502 HydrophobicContact CD2-CE2 3.73Å; L1500-F1502 HydrophobicContact CD2-CZ 4.21Å; L1500-F1502 HydrophobicContact CG-CE2 4.34Å
1503	S	33.7	Very low	35	Very low	98.8 Å²	98.8	139 Å²	139	69%	0.691	71%	0.708	S	S	*	*			cis	158.5	140.6	45.3	-154.9	0	0	0	0	113.8
1504	T	33.3	Very low	34.9	Very low	113.8 Å²	113.8	140.7 Å²	140.7	70%	0.698	71%	0.71	S	S	*	*			trans	35.8	124	155.2	55.2	0	0	0	0	117.7	K1506	T1504-K1506 PolarHBondContact O-NZ 3.1Å; T1504-K1506 WeakPolarHBondContact OG1-CE 2.94Å; T1504-K1506 PolarHBondContact OG1-NZ 3.47Å
1505	N	34.4	Very low	35.1	Very low	147.2 Å²	147.2	142.6 Å²	142.6	79%	0.787	71%	0.711	S	S	*	*				-173.8	144.3	112.8	-126.7	-22.7	0	0	0	111.8
1506	K	34.9	Very low	34.9	Very low	163 Å²	163	140.2 Å²	140.2	71%	0.709	71%	0.707	S	S	*	*			trans	83.8	138.1	148.7	-69.2	179.4	-179.5	174.9	0	113.3	T1504 S1525	T1504-K1506 PolarHBondContact O-NZ 3.1Å; T1504-K1506 WeakPolarHBondContact OG1-CE 2.94Å; T1504-K1506 PolarHBondContact OG1-NZ 3.47Å; K1506-S1525 VanDerWaalsContact NZ-C 3.27Å; K1506-S1525 PolarHBondContact NZ-O 3.24Å
1507	L	36.1	Very low	34.8	Very low	134 Å²	134	140.5 Å²	140.5	70%	0.702	70%	0.704	S	S	*	*			cis	-168.1	141.3	31.9	-165.7	68.3	0	0	0	108.7
1508	N	34.9	Very low	34.5	Very low	122 Å²	122	140.1 Å²	140.1	65%	0.652	70%	0.703	S	S	*	*				72.7	153.3	121.2	-94.5	-12.5	0	0	0	115
1509	Q	32.5	Very low	34.3	Very low	135.8 Å²	135.8	135.2 Å²	135.2	64%	0.635	69%	0.694	S	S	*	*			cis	-156.1	139.2	1.1	-96.4	-168	43.3	0	0	111.9
1510	L	34.5	Very low	34.2	Very low	124.8 Å²	124.8	131.7 Å²	131.7	65%	0.653	69%	0.69	S	S	*	*			trans	61.5	138.6	140.7	-80.8	78.7	0	0	0	116.5
1511	K	36.9	Very low	34.1	Very low	157.6 Å²	157.6	130.4 Å²	130.4	69%	0.685	69%	0.692	S	S	*	*				-154.7	148.3	67.1	-97.5	166.9	-176.6	177.4	0	111.7	F1518 N1519	K1511-F1518 HydrophobicContact CD-CD2 4.11Å; K1511-F1518 HydrophobicContact CD-CE2 3.44Å; K1511-F1518 VanDerWaalsContact CD-CE2 3.44Å; K1511-F1518 HydrophobicContact CD-CZ 3.74Å; K1511-F1518 HydrophobicContact CG-CD2 4.47Å; K1511-F1518 HydrophobicContact CG-CE2 4.04Å; K1511-N1519 WeakPolarHBondContact CE-OD1 3.17Å; K1511-N1519 PolarHBondContact NZ-OD1 2.83Å
1512	N	32.3	Very low	34.2	Very low	119.4 Å²	119.4	129.9 Å²	129.9	64%	0.639	70%	0.695	S	S	*	*			trans	39.3	130.9	131.2	-61.3	11.5	0	0	0	114
1513	T	36.3	Very low	34.5	Very low	103.4 Å²	103.4	125.8 Å²	125.8	63%	0.634	69%	0.687	S	S	*	*				-169.5	144.1	93.1	31.7	0	0	0	0	111	R1913 L1914	T1513-R1913 PolarHBondContact O-NE 2.93Å; T1513-L1914 HydrophobicContact CG2-CD1 3.74Å; T1513-L1914 VanDerWaalsContact OG1-CD1 3.22Å; T1513-L1914 WeakPolarHBondContact OG1-CD1 3.47Å
1514	N	33.5	Very low	34.4	Very low	130.8 Å²	130.8	129.6 Å²	129.6	70%	0.699	69%	0.691	S	S	*	*			trans	-105.7	165.1	150.1	-86.1	-33.1	0	0	0	111.9	L1912	N1514-L1912 VanDerWaalsContact ND2-CD2 3.33Å; N1514-L1912 WeakPolarHBondContact ND2-CD2 3.13Å
1515	F	37.4	Very low	34.4	Very low	178.2 Å²	178.2	128 Å²	128	78%	0.782	68%	0.684	S	S	*	*			trans	-161.4	137.3	-163.3	-88.6	-67	0	0	0	111.1	L1914	F1515-L1914 HydrophobicContact CD1-CD1 3.72Å; F1515-L1914 HydrophobicContact CE1-CD1 3.57Å; F1515-L1914 HydrophobicContact CE1-CG 3.92Å
1516	S	33.1	Very low	34.3	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	68%	0.68	S	S	*	*				79.2	131	106.8	129.6	0	0	0	0	115.9
1517	S	33.8	Very low	34.2	Very low	83.6 Å²	83.6	127.5 Å²	127.5	59%	0.585	68%	0.675	S	S	*	*				87.3	128.6	109.5	-78	0	0	0	0	115.5
1518	F	34.3	Very low	34	Very low	175 Å²	175	127.5 Å²	127.5	77%	0.768	68%	0.676	S	S	*	*				176.6	148.1	88.8	-83.7	-78.4	0	0	0	113.8	K1511	K1511-F1518 HydrophobicContact CD-CD2 4.11Å; K1511-F1518 HydrophobicContact CD-CE2 3.44Å; K1511-F1518 VanDerWaalsContact CD-CE2 3.44Å; K1511-F1518 HydrophobicContact CD-CZ 3.74Å; K1511-F1518 HydrophobicContact CG-CD2 4.47Å; K1511-F1518 HydrophobicContact CG-CE2 4.04Å
1519	N	32.4	Very low	34.2	Very low	125.8 Å²	125.8	128.6 Å²	128.6	67%	0.673	68%	0.68	S	S	*	*			cis	82.4	144.1	41.2	-110.9	7.3	0	0	0	117	K1511	K1511-N1519 WeakPolarHBondContact CE-OD1 3.17Å; K1511-N1519 PolarHBondContact NZ-OD1 2.83Å
1520	S	32	Very low	34.3	Very low	95 Å²	95	126.7 Å²	126.7	66%	0.664	68%	0.682	S	S	*	*				-158.9	152.8	128.1	56.8	0	0	0	0	114
1521	S	34.2	Very low	34.4	Very low	104.8 Å²	104.8	126.8 Å²	126.8	73%	0.733	68%	0.683	S	S	*	*			cis	-170.5	133.2	48.6	39.5	0	0	0	0	115
1522	N	32.4	Very low	34.2	Very low	140.4 Å²	140.4	125.2 Å²	125.2	75%	0.751	68%	0.682	S	S	*	*				40	147.4	107.7	-126.8	21.8	0	0	0	114.6
1523	P	41.1	Very low	34.4	Very low	93.4 Å²	93.4	128.6 Å²	128.6	61%	0.606	69%	0.688	S	S	*	*			cis	-128.7	167.3	-15.4	38.4	-23.1	0	0	0	115.3
1524	F	32.7	Very low	34.3	Very low	177.4 Å²	177.4	130.3 Å²	130.3	78%	0.778	69%	0.693	S	S	*	*			trans	104.9	135.1	140.5	-79.7	-64.4	0	0	0	116.4	S1443 A1444	S1443-F1524 WeakPolarHBondContact O-CB 3.28Å; A1444-F1524 WeakPolarHBondContact O-CB 3.08Å; A1444-F1524 WeakPolarHBondContact O-CD1 3.35Å; A1444-F1524 VanDerWaalsContact O-CD2 3.31Å; A1444-F1524 WeakPolarHBondContact O-CD2 3.3Å; A1444-F1524 WeakPolarHBondContact O-CG 2.99Å
1525	S	33.5	Very low	34.4	Very low	79.6 Å²	79.6	129.8 Å²	129.8	56%	0.557	69%	0.694	S	S	*	*				119.4	138.5	82.4	-84	0	0	0	0	119.5	A1444 A1445 K1506	A1444-S1525 PolarHBondContact O-OG 2.83Å; A1445-S1525 PolarHBondContact N-OG 2.79Å; K1506-S1525 VanDerWaalsContact NZ-C 3.27Å; K1506-S1525 PolarHBondContact NZ-O 3.24Å
1526	R	32.1	Very low	34.3	Very low	184.2 Å²	184.2	127.5 Å²	127.5	70%	0.695	69%	0.69	S	S	*	*			trans	45	113.4	142.4	-80.6	163.5	165.9	172.1	-4.9	120.3	A1445 A1446 D1461 D1462	A1445-R1526 VanDerWaalsContact O-CZ 3.31Å; A1445-R1526 PolarHBondContact O-NE 2.77Å; A1445-R1526 PolarHBondContact O-NH2 3.44Å; A1446-R1526 HydrophobicContact CB-CB 4.42Å; D1461-R1526 VanDerWaalsContact CG-CZ 3.48Å; D1461-R1526 VanDerWaalsContact CG-NH1 3.3Å; D1461-R1526 IonicContact OD1-CZ 2.81Å; D1461-R1526 IonicContact OD1-NH1 3.22Å; D1461-R1526 IonicContact OD1-NH2 2.67Å; D1461-R1526 PolarHBondContact OD1-NH2 2.98Å; D1461-R1526 IonicContact OD2-CZ 2.73Å; D1461-R1526 IonicContact OD2-NH1 3.6Å; D1461-R1526 PolarHBondContact OD2-NH1 3.36Å; D1461-R1526 IonicContact OD2-NH2 3.54Å; D1461-R1526 PolarHBondContact OD2-NH2 3.47Å; D1462-R1526 VanDerWaalsContact CG-NH2 3.25Å; D1462-R1526 IonicContact OD1-CZ 3.22Å; D1462-R1526 IonicContact OD1-NE 3.6Å; D1462-R1526 IonicContact OD1-NH2 2.64Å; D1462-R1526 PolarHBondContact OD1-NH2 2.93Å; D1462-R1526 IonicContact OD2-CZ 2.71Å; D1462-R1526 VanDerWaalsContact OD2-CZ 3.22Å; D1462-R1526 IonicContact OD2-NE 3.57Å; D1462-R1526 PolarHBondContact OD2-NE 3.22Å; D1462-R1526 IonicContact OD2-NH2 3.15Å; D1462-R1526 PolarHBondContact OD2-NH2 3.39Å
1527	N	33.2	Very low	34.4	Very low	116.2 Å²	116.2	130 Å²	130	62%	0.621	69%	0.691	S	S	*	*				99.7	157	109.6	-71.8	-13.1	0	0	0	117.7	N1532 Y1533	N1527-N1532 HydrophobicContact CB-CB 4.34Å; N1527-N1532 PolarHBondContact ND2-ND2 2.81Å; N1527-N1532 VanDerWaalsContact ND2-ND2 3.12Å; N1527-Y1533 HydrophobicContact CB-CE2 4.03Å; N1527-Y1533 PolarHBondContact ND2-OH 3.2Å
1528	N	31.9	Very low	34.4	Very low	134.2 Å²	134.2	134.3 Å²	134.3	72%	0.718	70%	0.701	S	S	*	*				165.7	154.6	104.5	-102	6.7	0	0	0	116.5
1529	I	38.4	Very low	34.6	Very low	145 Å²	145	136.9 Å²	136.9	74%	0.744	71%	0.706	S	S	*	*			trans	67.9	135.6	152.1	-86.4	164.5	0	0	0	113.9	N1531	I1529-N1531 PolarHBondContact O-ND2 2.87Å
1530	S	34.6	Very low	34.7	Very low	95.4 Å²	95.4	136.1 Å²	136.1	67%	0.667	71%	0.711	S	S	*	*			cis	-153.9	162.9	7.2	58.6	0	0	0	0	112.3
1531	N	36.4	Very low	35.1	Very low	126.4 Å²	126.4	134.9 Å²	134.9	68%	0.676	71%	0.713	S	S	*	*			trans	161	148.9	176.4	-55.7	-41.7	0	0	0	112.6	I1529 Y1533	I1529-N1531 PolarHBondContact O-ND2 2.87Å; N1531-Y1533 PolarHBondContact OD1-OH 2.69Å
1532	N	32.8	Very low	35.3	Very low	124.4 Å²	124.4	137.6 Å²	137.6	67%	0.665	71%	0.714	S	S	*	*				92.9	155.4	127.3	-103.7	12.4	0	0	0	116.9	N1527	N1527-N1532 HydrophobicContact CB-CB 4.34Å; N1527-N1532 PolarHBondContact ND2-ND2 2.81Å; N1527-N1532 VanDerWaalsContact ND2-ND2 3.12Å
1533	Y	35.4	Very low	35.8	Very low	191.6 Å²	191.6	135.2 Å²	135.2	75%	0.751	71%	0.708	S	S	*	*			trans	88.1	130.3	-172.7	-50.9	-68.8	0	0	0	114.4	N1527 N1531	N1527-Y1533 HydrophobicContact CB-CE2 4.03Å; N1527-Y1533 PolarHBondContact ND2-OH 3.2Å; N1531-Y1533 PolarHBondContact OD1-OH 2.69Å
1534	D	34.2	Very low	35.7	Very low	138.8 Å²	138.8	137 Å²	137	74%	0.742	71%	0.713	S	S	*	*			cis	111.8	149.4	16.4	-160.1	16.5	0	0	0	112.3	K816	K816-D1534 IonicContact NZ-OD1 3.78Å; K816-D1534 PolarHBondContact NZ-OD1 2.76Å; K816-D1534 IonicContact NZ-OD2 3.27Å; K816-D1534 PolarHBondContact NZ-OD2 3.39Å
1535	T	36.8	Very low	36.1	Very low	120.2 Å²	120.2	135.2 Å²	135.2	74%	0.737	71%	0.707	S	S	*	*			trans	141.4	109.2	176.3	-49.2	0	0	0	0	114.2
1536	D	34.3	Very low	36.2	Very low	130 Å²	130	138.2 Å²	138.2	70%	0.695	71%	0.71	S	S	*	*			trans	43	164.2	141	-94.6	-53.6	0	0	0	121
1537	H	36.1	Very low	36.2	Very low	148.6 Å²	148.6	137.6 Å²	137.6	69%	0.688	71%	0.713	S	S	*	*			trans	169	142.4	137.3	-85.9	15.3	0	0	0	119.3
1538	H	34.4	Very low	36.2	Very low	173 Å²	173	138.6 Å²	138.6	80%	0.801	72%	0.717	S	S	*	*			trans	-168.5	162.9	154	-66	-30.7	0	0	0	117.8
1539	R	36.9	Very low	36.1	Very low	230 Å²	230	136.2 Å²	136.2	87%	0.868	71%	0.711	S	S	*	*			cis	-152.2	152.1	-19.3	-133.5	-177.4	-177.8	-162.8	1.7	113
1540	S	36.2	Very low	35.8	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	71%	0.713	S	S	*	*			trans	98.5	139.9	145.5	63.6	0	0	0	0	118
1541	G	39.5	Very low	35.6	Very low	69.4 Å²	69.4	135.8 Å²	135.8	72%	0.715	71%	0.708	S	S	*	*			trans	160.1	138.3	169.8	0	0	0	0	0	114.3
1542	E	39.2	Very low	35.4	Very low	160.4 Å²	160.4	136.9 Å²	136.9	75%	0.75	71%	0.714	S	S	*	*			trans	176.2	151.1	164.7	-95	-158.3	174.5	0	0	115.1	N1544 K1562 S1563 Q1603 R1604 N1605	E1542-N1544 PolarHBondContact OE2-N 2.78Å; E1542-N1544 VanDerWaalsContact OE2-N 3.13Å; E1542-K1562 HydrophobicContact CB-CB 4.47Å; E1542-K1562 WeakPolarHBondContact OE1-CB 3.32Å; E1542-S1563 VanDerWaalsContact CD-N 3.3Å; E1542-S1563 PolarHBondContact OE1-N 2.83Å; E1542-S1563 PolarHBondContact OE1-OG 2.72Å; E1542-S1563 VanDerWaalsContact OE1-OG 3.13Å; E1542-Q1603 CarbonylContact O-C 3.59Å; E1542-R1604 PolarHBondContact O-N 2.97Å; E1542-N1605 VanDerWaalsContact CD-ND2 3.32Å; E1542-N1605 PolarHBondContact OE1-ND2 2.71Å; E1542-N1605 PolarHBondContact OE2-N 3.04Å; E1542-N1605 PolarHBondContact OE2-ND2 2.79Å; E1542-N1605 VanDerWaalsContact OE2-ND2 3.17Å; E1542-N1605 PolarHBondContact OE2-OD1 2.7Å
1543	S	42.8	Very low	35.5	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	71%	0.712	S	S	*	*				-155.1	149.7	53.4	69.4	0	0	0	0	113.9	Q1603 R1604	S1543-Q1603 VanDerWaalsContact CA-O 3.22Å; S1543-Q1603 WeakPolarHBondContact CA-O 3.34Å; S1543-Q1603 WeakPolarHBondContact CB-O 3.16Å; S1543-R1604 VanDerWaalsContact CA-N 3.28Å
1544	N	38.1	Very low	35.4	Very low	131.6 Å²	131.6	131.6 Å²	131.6	70%	0.704	71%	0.708	S	S	*	*			trans	28	132.4	141.5	-81.5	-55.8	0	0	0	116.6	E1542 K1546 Q1603 N1605	E1542-N1544 PolarHBondContact OE2-N 2.78Å; E1542-N1544 VanDerWaalsContact OE2-N 3.13Å; N1544-K1546 PolarHBondContact OD1-NZ 2.97Å; N1544-Q1603 WeakPolarHBondContact CA-O 3.36Å; N1544-Q1603 PolarHBondContact OD1-O 3.5Å; N1544-Q1603 VanDerWaalsContact OD1-O 3.04Å; N1544-N1605 WeakPolarHBondContact O-CA 3.18Å; N1544-N1605 PolarHBondContact O-N 2.79Å
1545	Q	40.5	Very low	35.2	Very low	140 Å²	140	130.8 Å²	130.8	65%	0.654	70%	0.7	S	S	*	*				-148.8	148.8	61.5	-110.2	-163.3	57.5	0	0	110.7	N1605 E1606	Q1545-N1605 CarbonylContact O-C 3.53Å; Q1545-E1606 CarbonylContact O-C 3.56Å; Q1545-E1606 VanDerWaalsContact O-C 3.26Å; Q1545-E1606 WeakPolarHBondContact O-CA 3.29Å; Q1545-E1606 PolarHBondContact O-N 2.67Å
1546	K	36.1	Very low	35	Very low	143.8 Å²	143.8	135.9 Å²	135.9	63%	0.625	71%	0.706	S	S	*	*			trans	-60.8	144.4	158	-71.6	159.8	-167.5	169	0	113.4	S1195 N1544 R1604	S1195-K1546 PolarHBondContact O-NZ 3.45Å; N1544-K1546 PolarHBondContact OD1-NZ 2.97Å; K1546-R1604 WeakPolarHBondContact CE-O 2.85Å
1547	F	32.4	Very low	35	Very low	171.2 Å²	171.2	136.4 Å²	136.4	75%	0.751	70%	0.702	S	S	*	*				109.6	144	127.4	-73.3	-79.9	0	0	0	112.2	V1607	F1547-V1607 VanDerWaalsContact C-CG1 3.42Å; F1547-V1607 WeakPolarHBondContact O-CG1 3.26Å
1548	I	33.6	Very low	34.9	Very low	135.8 Å²	135.8	135.9 Å²	135.9	70%	0.696	70%	0.704	S	S	*	*				-132.2	130.7	88.8	-79.5	168.9	0	0	0	110.3
1549	S	29.6	Very low	35.1	Very low	85 Å²	85	133.2 Å²	133.2	59%	0.594	70%	0.7	S	S	*	*			trans	-107.6	139.2	136.9	-175.3	0	0	0	0	112.2
1550	L	31.9	Very low	34.9	Very low	150 Å²	150	125.1 Å²	125.1	79%	0.785	69%	0.689	S	S	*	*			trans	152.1	122.1	155.9	-77.9	169.8	0	0	0	111.2
1551	S	31.1	Very low	34.9	Very low	82 Å²	82	128.5 Å²	128.5	57%	0.573	69%	0.69	S	S	*	*				166.3	158.6	75.5	24.7	0	0	0	0	112.7
1552	N	32.4	Very low	34.8	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	69%	0.693	S	S	*	*			trans	76.5	122.4	149	-58.6	-20.7	0	0	0	115.4
1553	A	33.8	Very low	34.7	Very low	74.2 Å²	74.2	130.9 Å²	130.9	61%	0.613	69%	0.69	S	S	*	*				-156.8	164	81.1	0	0	0	0	0	110	E1555	A1553-E1555 HydrophobicContact CB-CB 3.94Å
1554	L	33.7	Very low	34.4	Very low	130.2 Å²	130.2	134.7 Å²	134.7	68%	0.682	70%	0.695	S	S	*	*				-62.8	122.7	99	-96.8	88	0	0	0	111.5	A1445 A1446 W1556	A1445-L1554 HydrophobicContact CB-CD2 4.02Å; A1446-L1554 HydrophobicContact CB-CD1 4.48Å; L1554-W1556 VanDerWaalsContact CD2-NE1 3.29Å
1555	E	30.4	Very low	34.3	Very low	121.6 Å²	121.6	132.2 Å²	132.2	57%	0.568	69%	0.688	S	S	*	*				73.1	116	85.5	-142.3	-173.4	179.4	0	0	114.4	A1553 K1557	A1553-E1555 HydrophobicContact CB-CB 3.94Å; E1555-K1557 HydrophobicContact CG-CB 4.07Å; E1555-K1557 HydrophobicContact CG-CD 4.41Å; E1555-K1557 HydrophobicContact CG-CG 3.97Å; E1555-K1557 PolarHBondContact O-N 3.13Å; E1555-K1557 IonicContact OE1-NZ 2.75Å; E1555-K1557 PolarHBondContact OE1-NZ 2.92Å; E1555-K1557 VanDerWaalsContact OE2-CD 3.28Å; E1555-K1557 WeakPolarHBondContact OE2-CD 3.36Å; E1555-K1557 VanDerWaalsContact OE2-CG 3.31Å; E1555-K1557 WeakPolarHBondContact OE2-CG 3.3Å; E1555-K1557 IonicContact OE2-NZ 2.71Å; E1555-K1557 PolarHBondContact OE2-NZ 3.27Å
1556	W	32.4	Very low	34.2	Very low	226.2 Å²	226.2	133.1 Å²	133.1	86%	0.857	69%	0.692	S	S	*	*			trans	-88.5	122.7	140.8	-72.6	70.8	0	0	0	111	L1554	L1554-W1556 VanDerWaalsContact CD2-NE1 3.29Å
1557	K	33	Very low	34.2	Very low	142 Å²	142	131.6 Å²	131.6	62%	0.617	69%	0.691	S	S	*	*				-89.2	141.2	128.2	-103.7	179.6	-175.8	128.8	0	111.5	E1555	E1555-K1557 HydrophobicContact CG-CB 4.07Å; E1555-K1557 HydrophobicContact CG-CD 4.41Å; E1555-K1557 HydrophobicContact CG-CG 3.97Å; E1555-K1557 PolarHBondContact O-N 3.13Å; E1555-K1557 IonicContact OE1-NZ 2.75Å; E1555-K1557 PolarHBondContact OE1-NZ 2.92Å; E1555-K1557 VanDerWaalsContact OE2-CD 3.28Å; E1555-K1557 WeakPolarHBondContact OE2-CD 3.36Å; E1555-K1557 VanDerWaalsContact OE2-CG 3.31Å; E1555-K1557 WeakPolarHBondContact OE2-CG 3.3Å; E1555-K1557 IonicContact OE2-NZ 2.71Å; E1555-K1557 PolarHBondContact OE2-NZ 3.27Å
1558	D	35.4	Very low	34.4	Very low	137.2 Å²	137.2	131.4 Å²	131.4	73%	0.734	69%	0.69	S	S	*	*			cis	-146.2	136.7	33	-151.8	-22.7	0	0	0	113.2
1559	T	37.5	Very low	34.6	Very low	115.8 Å²	115.8	132.2 Å²	132.2	71%	0.71	69%	0.691	S	S	*	*			trans	-121	161.9	170.5	58.8	0	0	0	0	111.8	K1561 R1604	T1559-K1561 PolarHBondContact O-N 3.33Å; T1559-R1604 PolarHBondContact O-NH2 3.43Å; T1559-R1604 PolarHBondContact OG1-NH1 3.12Å; T1559-R1604 PolarHBondContact OG1-NH2 3.01Å; T1559-R1604 VanDerWaalsContact OG1-NH2 3.12Å
1560	G	33	Very low	34.8	Very low	61.6 Å²	61.6	134 Å²	134	64%	0.635	69%	0.694	S	S	*	*			cis	149.3	133.9	-1.3	0	0	0	0	0	113.5	K1562 R1604	G1560-K1562 PolarHBondContact O-N 3.02Å; G1560-R1604 PolarHBondContact O-NE 2.74Å; G1560-R1604 PolarHBondContact O-NH2 2.74Å
1561	K	37.1	Very low	35	Very low	181.2 Å²	181.2	132.8 Å²	132.8	79%	0.788	69%	0.688	S	S	*	*			trans	63.7	144.1	156.3	-60.3	171.8	-177.5	172	0	115.4	T1559 S1563 N1605 E1606	T1559-K1561 PolarHBondContact O-N 3.33Å; K1561-S1563 PolarHBondContact O-N 3.07Å; K1561-N1605 VanDerWaalsContact C-OD1 3.25Å; K1561-N1605 HydrophobicContact CB-CB 4.29Å; K1561-N1605 WeakPolarHBondContact CB-OD1 3.36Å; K1561-N1605 HydrophobicContact CD-CB 4.35Å; K1561-N1605 PolarHBondContact O-OD1 2.79Å; K1561-E1606 WeakPolarHBondContact CD-OE1 2.99Å; K1561-E1606 IonicContact NZ-OE1 2.73Å; K1561-E1606 IonicContact NZ-OE2 2.84Å; K1561-E1606 PolarHBondContact NZ-OE2 3.2Å
1562	K	37.3	Very low	35.3	Very low	181.4 Å²	181.4	137.6 Å²	137.6	79%	0.789	70%	0.699	S	S	*	*				152.1	113	84.1	-98.9	171.3	-175.3	175.7	0	113.2	E1542 G1560 K1564 N1605 E1606	E1542-K1562 HydrophobicContact CB-CB 4.47Å; E1542-K1562 WeakPolarHBondContact OE1-CB 3.32Å; G1560-K1562 PolarHBondContact O-N 3.02Å; K1562-K1564 WeakPolarHBondContact O-CD 3.46Å; K1562-N1605 WeakPolarHBondContact CB-ND2 3.49Å; K1562-N1605 WeakPolarHBondContact CB-OD1 3.37Å; K1562-N1605 WeakPolarHBondContact CD-ND2 3.46Å; K1562-N1605 PolarHBondContact N-OD1 3.12Å; K1562-E1606 VanDerWaalsContact CD-OE1 3.29Å; K1562-E1606 WeakPolarHBondContact CD-OE1 3.1Å; K1562-E1606 WeakPolarHBondContact CE-OE1 3.01Å; K1562-E1606 IonicContact NZ-OE1 2.68Å; K1562-E1606 PolarHBondContact NZ-OE1 2.94Å
1563	S	36.7	Very low	35.2	Very low	97.8 Å²	97.8	136.2 Å²	136.2	68%	0.684	70%	0.699	S	S	*	*			trans	-143.1	136.2	136	57.5	0	0	0	0	114.1	E1542 K1561	E1542-S1563 VanDerWaalsContact CD-N 3.3Å; E1542-S1563 PolarHBondContact OE1-N 2.83Å; E1542-S1563 PolarHBondContact OE1-OG 2.72Å; E1542-S1563 VanDerWaalsContact OE1-OG 3.13Å; K1561-S1563 PolarHBondContact O-N 3.07Å
1564	K	36.8	Very low	35.2	Very low	169.4 Å²	169.4	137.3 Å²	137.3	74%	0.737	70%	0.702	S	S	*	*				72.4	152.5	93.2	-72.3	-179.6	166.2	-172.5	0	113.7	K1562 D1742 S1743 R1744	K1562-K1564 WeakPolarHBondContact O-CD 3.46Å; K1564-D1742 WeakPolarHBondContact CD-OD1 3.39Å; K1564-D1742 WeakPolarHBondContact CE-OD1 3.34Å; K1564-D1742 IonicContact NZ-OD1 2.08Å; K1564-D1742 PolarHBondContact NZ-OD1 3.49Å; K1564-D1742 IonicContact NZ-OD2 2.82Å; K1564-D1742 PolarHBondContact NZ-OD2 2.86Å; K1564-S1743 WeakPolarHBondContact CE-OG 3.44Å; K1564-S1743 PolarHBondContact NZ-OG 3.4Å; K1564-R1744 HydrophobicContact CB-CB 4.46Å; K1564-R1744 HydrophobicContact CG-CB 4.01Å
1565	S	35.6	Very low	35.3	Very low	79.6 Å²	79.6	139.3 Å²	139.3	56%	0.557	71%	0.705	S	S	*	*			cis	-166.8	172.2	-21.3	51.9	0	0	0	0	110.8	S1743 R1744	S1565-S1743 WeakPolarHBondContact CA-O 3.1Å; S1565-S1743 WeakPolarHBondContact CB-O 3.21Å; S1565-R1744 PolarHBondContact O-NE 2.76Å; S1565-R1744 PolarHBondContact O-NH2 3.3Å
1566	H	38	Very low	35.4	Very low	158.2 Å²	158.2	140.5 Å²	140.5	73%	0.732	71%	0.711	S	S	*	*			cis	-158	153.4	24.3	-89.9	-65.2	0	0	0	112.5	R1744	H1566-R1744 VanDerWaalsContact C-CG 3.46Å; H1566-R1744 WeakPolarHBondContact O-CG 3.4Å
1567	N	35.3	Very low	35.4	Very low	113.6 Å²	113.6	136.1 Å²	136.1	61%	0.607	70%	0.704	S	S	*	*			cis	94.1	136.2	38.2	-133	-3.1	0	0	0	114.7	S1743 R1744 I1745	N1567-S1743 PolarHBondContact ND2-O 2.68Å; N1567-R1744 WeakPolarHBondContact ND2-CA 3.4Å; N1567-R1744 PolarHBondContact ND2-N 2.89Å; N1567-R1744 PolarHBondContact ND2-O 2.97Å; N1567-R1744 PolarHBondContact OD1-O 2.76Å; N1567-I1745 CarbonylContact C-O 3.18Å; N1567-I1745 WeakPolarHBondContact CA-O 3.27Å; N1567-I1745 PolarHBondContact N-O 2.73Å
1568	K	36.6	Very low	35.5	Very low	166.6 Å²	166.6	134.4 Å²	134.4	72%	0.724	71%	0.705	S	S	*	*				81.4	135.6	116.9	-98.8	178.4	175.9	-176.8	0	117.3	I1745	K1568-I1745 PolarHBondContact N-O 3.17Å
1569	Q	38.1	Very low	35.3	Very low	152.4 Å²	152.4	132 Å²	132	71%	0.712	70%	0.699	S	S	*	*			trans	72.7	142.9	139.5	-68.6	174	-27.8	0	0	116.7	H1746 S1747	Q1569-H1746 CarbonylContact C-O 3.31Å; Q1569-H1746 VanDerWaalsContact C-O 3.31Å; Q1569-H1746 WeakPolarHBondContact CA-O 3.42Å; Q1569-H1746 PolarHBondContact N-O 3.39Å; Q1569-H1746 CarbonylContact O-C 3.59Å; Q1569-S1747 PolarHBondContact O-N 3.42Å
1570	N	34.8	Very low	35.2	Very low	124 Å²	124	132.3 Å²	132.3	66%	0.663	70%	0.701	S	S	*	*			cis	173.5	142.8	44.8	-95.4	-13.5	0	0	0	113.9
1571	N	35.8	Very low	35.2	Very low	123.8 Å²	123.8	135.5 Å²	135.5	66%	0.662	70%	0.704	S	S	*	*				75.6	132.8	129.2	-72.8	-42.8	0	0	0	119.9
1572	K	37.1	Very low	35.1	Very low	183.2 Å²	183.2	132.6 Å²	132.6	80%	0.797	70%	0.697	S	S	*	*			trans	77.2	135.1	132.1	-72.3	177.4	-177.9	-178.3	0	117.7
1573	C	31.4	Very low	35	Very low	119.2 Å²	119.2	130.3 Å²	130.3	81%	0.805	69%	0.693	S	S	*	*				97.9	144.3	125.9	-96.1	0	0	0	0	115.1
1574	S	33.4	Very low	35	Very low	98.8 Å²	98.8	130.7 Å²	130.7	69%	0.691	69%	0.688	S	S	*	*			cis	179.2	138.1	-9.8	-125.3	0	0	0	0	109.9
1575	K	34.8	Very low	34.9	Very low	171 Å²	171	131.3 Å²	131.3	74%	0.743	69%	0.685	S	S	*	*				65.1	154.6	124.2	-59.9	176.9	179.9	-178.9	0	114.9
1576	Q	33	Very low	35	Very low	147.6 Å²	147.6	134.4 Å²	134.4	69%	0.69	69%	0.691	S	S	*	*			cis	-177.6	145.4	36.7	-117.5	166.5	-39.6	0	0	111.2
1577	L	33.4	Very low	34.8	Very low	133.6 Å²	133.6	133.5 Å²	133.5	70%	0.699	69%	0.685	S	S	*	*				68.9	139.2	110.4	-71	179.9	0	0	0	115.1
1578	T	33.5	Very low	34.9	Very low	106.6 Å²	106.6	131.8 Å²	131.8	65%	0.654	68%	0.682	S	S	*	*			cis	-160.5	154.6	17.2	6.7	0	0	0	0	113.7
1579	S	33	Very low	34.8	Very low	87 Å²	87	128.6 Å²	128.6	61%	0.608	68%	0.681	S	S	*	*				58.1	128	125	65.1	0	0	0	0	118.9
1580	T	34.7	Very low	34.6	Very low	122.6 Å²	122.6	127.9 Å²	127.9	75%	0.752	68%	0.677	S	S	*	*			cis	179.9	164.8	27.6	23.5	0	0	0	0	109.3
1581	N	31.9	Very low	34.6	Very low	127 Å²	127	128.6 Å²	128.6	68%	0.679	67%	0.674	S	S	*	*				-92.6	154.8	64.2	-95.8	43.8	0	0	0	111.7
1582	D	35.7	Very low	34.7	Very low	120.4 Å²	120.4	129.6 Å²	129.6	64%	0.644	68%	0.679	S	S	*	*				156	158.7	62.7	-103.1	-39.4	0	0	0	114.9
1583	N	35.7	Very low	34.5	Very low	133.8 Å²	133.8	125.3 Å²	125.3	72%	0.716	67%	0.672	S	S	*	*			trans	81.8	150	146.2	-70.2	-40.8	0	0	0	118.2
1584	D	36.6	Very low	34.5	Very low	106.4 Å²	106.4	128.7 Å²	128.7	57%	0.569	67%	0.673	S	S	*	*			cis	-164.9	158.6	32.3	-137.1	-5.2	0	0	0	115.2
1585	R	35.3	Very low	34.7	Very low	181.4 Å²	181.4	129 Å²	129	69%	0.685	67%	0.671	S	S	*	*			trans	60.3	120.2	158	-77.7	172.7	-172.9	173.8	-0.5	118.6
1586	H	36.9	Very low	34.5	Very low	144.8 Å²	144.8	127.7 Å²	127.7	67%	0.67	67%	0.672	S	S	*	*				95.7	133.7	124.4	-75.8	-60.2	0	0	0	116.7	K1763	H1586-K1763 VanDerWaalsContact CB-NZ 3.33Å; H1586-K1763 PolarHBondContact CD2-NZ 3.45Å
1587	K	34.1	Very low	34.5	Very low	139.8 Å²	139.8	125.6 Å²	125.6	61%	0.608	67%	0.674	S	S	*	*				154.2	151.6	53.4	-109.2	178.9	179.4	-177.5	0	114.2	E1293 Q1294 S1589 E1590	E1293-K1587 HydrophobicContact CG-CG 4.38Å; E1293-K1587 VanDerWaalsContact OE1-CA 3.27Å; E1293-K1587 WeakPolarHBondContact OE1-CA 3.41Å; E1293-K1587 WeakPolarHBondContact OE1-CG 3.46Å; E1293-K1587 VanDerWaalsContact OE2-CA 3.31Å; E1293-K1587 WeakPolarHBondContact OE2-CA 3.48Å; E1293-K1587 WeakPolarHBondContact OE2-CG 3.34Å; Q1294-K1587 HydrophobicContact CG-CD 4.16Å; Q1294-K1587 HydrophobicContact CG-CG 4.42Å; Q1294-K1587 VanDerWaalsContact OE1-CE 3.27Å; K1587-S1589 PolarHBondContact O-N 3.1Å; K1587-E1590 IonicContact NZ-OE1 2.07Å; K1587-E1590 PolarHBondContact NZ-OE1 2.98Å; K1587-E1590 IonicContact NZ-OE2 2.06Å; K1587-E1590 PolarHBondContact NZ-OE2 2.85Å
1588	S	36.1	Very low	34.4	Very low	78.6 Å²	78.6	122.4 Å²	122.4	55%	0.55	67%	0.673	S	S	.	*			trans	125.9	133.1	143	40.4	0	0	0	0	114.2	E1293 E1590 Y1765	E1293-S1588 PolarHBondContact OE2-N 3.4Å; S1588-E1590 PolarHBondContact O-N 3.14Å; S1588-Y1765 CarbonylContact C-O 3.42Å; S1588-Y1765 CarbonylContact O-C 3.32Å; S1588-Y1765 VanDerWaalsContact O-C 3.29Å; S1588-Y1765 WeakPolarHBondContact O-CA 3.48Å; S1588-Y1765 WeakPolarHBondContact O-CB 3.42Å; S1588-Y1765 PolarHBondContact O-N 3.22Å
1589	S	36	Very low	34.4	Very low	99.6 Å²	99.6	124.8 Å²	124.8	70%	0.697	68%	0.681	S	S	*	*				-26.9	135.3	115.2	58.5	0	0	0	0	114	K1587 Y1765 L1766	K1587-S1589 PolarHBondContact O-N 3.1Å; S1589-Y1765 PolarHBondContact N-O 3.47Å; S1589-L1766 WeakPolarHBondContact O-CD2 3.38Å; S1589-L1766 VanDerWaalsContact O-CG 3.22Å; S1589-L1766 WeakPolarHBondContact O-CG 3.44Å
1590	E	34.5	Very low	34.6	Very low	137.4 Å²	137.4	127.2 Å²	127.2	64%	0.642	69%	0.686	S	S	*	*				-124.5	159.1	110.7	-112.8	-176.8	150.1	0	0	112.6	K1587 S1588	K1587-E1590 IonicContact NZ-OE1 2.07Å; K1587-E1590 PolarHBondContact NZ-OE1 2.98Å; K1587-E1590 IonicContact NZ-OE2 2.06Å; K1587-E1590 PolarHBondContact NZ-OE2 2.85Å; S1588-E1590 PolarHBondContact O-N 3.14Å
1591	K	34.6	Very low	34.7	Very low	137.2 Å²	137.2	129.3 Å²	129.3	60%	0.597	69%	0.685	S	S	*	*				-178.6	153.1	115.5	-101.2	158.6	-173.5	144	0	112.8	N1768	K1591-N1768 HydrophobicContact CB-CB 4.07Å; K1591-N1768 WeakPolarHBondContact CB-OD1 3.23Å; K1591-N1768 PolarHBondContact N-OD1 2.75Å; K1591-N1768 PolarHBondContact O-ND2 2.84Å; K1591-N1768 PolarHBondContact O-OD1 3.36Å
1592	L	36.1	Very low	34.9	Very low	145.8 Å²	145.8	132.9 Å²	132.9	76%	0.763	69%	0.689	S	S	*	*			trans	81.6	152.7	141.3	-73.1	166.8	0	0	0	116.5
1593	S	33.4	Very low	34.8	Very low	93 Å²	93	133.6 Å²	133.6	65%	0.65	69%	0.688	S	S	*	*			cis	-154.2	151.3	9.7	59.3	0	0	0	0	114
1594	F	33	Very low	34.8	Very low	190.4 Å²	190.4	135.9 Å²	135.9	84%	0.835	69%	0.687	S	S	*	*			trans	-55.4	158.6	154.2	-99.4	-102.1	0	0	0	115.8
1595	V	35.7	Very low	34.6	Very low	105.6 Å²	105.6	135.2 Å²	135.2	64%	0.64	68%	0.683	S	S	*	*			trans	-167.5	135.8	163.4	171.3	0	0	0	0	112.1
1596	N	31.3	Very low	34.4	Very low	143.4 Å²	143.4	133.4 Å²	133.4	77%	0.767	68%	0.682	S	S	*	*				47	124.7	103.4	-153.3	9.4	0	0	0	116.3
1597	S	32.3	Very low	34.2	Very low	103.6 Å²	103.6	131.9 Å²	131.9	72%	0.724	68%	0.683	S	S	*	*			trans	172.3	140.9	140.2	57.3	0	0	0	0	114.7	K1988 L1989	S1597-K1988 VanDerWaalsContact OG-C 3.27Å; S1597-K1988 PolarHBondContact OG-O 3.36Å; S1597-L1989 PolarHBondContact OG-N 2.8Å; S1597-L1989 VanDerWaalsContact OG-N 3.14Å
1598	G	31.1	Very low	34.3	Very low	66.2 Å²	66.2	132.7 Å²	132.7	68%	0.682	69%	0.694	S	S	*	*			trans	167.2	115.1	153.2	0	0	0	0	0	113
1599	L	34.7	Very low	34.1	Very low	156 Å²	156	133.7 Å²	133.7	82%	0.817	70%	0.701	S	S	*	*			trans	56.1	129.6	135.8	-73.7	165.7	0	0	0	114
1600	L	37.9	Very low	34.3	Very low	137.6 Å²	137.6	134.4 Å²	134.4	72%	0.72	70%	0.703	S	S	*	*			trans	162.5	131.9	131.9	-75.4	166.4	0	0	0	113
1601	K	35.7	Very low	34.3	Very low	167 Å²	167	137.7 Å²	137.7	73%	0.726	71%	0.709	S	S	*	*			trans	65.7	146.9	138.3	-65.4	163.3	-178.1	169	0	112.5
1602	R	36	Very low	34.4	Very low	203.2 Å²	203.2	136.4 Å²	136.4	77%	0.767	72%	0.715	S	S	*	*			cis	-157.3	145.7	22.5	-125.1	174.2	173	167.9	-4.4	108.8
1603	Q	34.1	Very low	34.5	Very low	134.4 Å²	134.4	134.1 Å²	134.1	63%	0.628	71%	0.707	S	S	*	*				67.2	131.1	107.5	-84.4	179.1	-11.9	0	0	116.6	E1542 S1543 N1544	E1542-Q1603 CarbonylContact O-C 3.59Å; S1543-Q1603 VanDerWaalsContact CA-O 3.22Å; S1543-Q1603 WeakPolarHBondContact CA-O 3.34Å; S1543-Q1603 WeakPolarHBondContact CB-O 3.16Å; N1544-Q1603 WeakPolarHBondContact CA-O 3.36Å; N1544-Q1603 PolarHBondContact OD1-O 3.5Å; N1544-Q1603 VanDerWaalsContact OD1-O 3.04Å
1604	R	34.7	Very low	34.5	Very low	181.8 Å²	181.8	134.9 Å²	134.9	69%	0.686	71%	0.708	S	S	*	*				179.1	136.8	88.4	-107.6	171.2	173.6	143.6	-5.9	112.8	E1542 S1543 K1546 T1559 G1560	E1542-R1604 PolarHBondContact O-N 2.97Å; S1543-R1604 VanDerWaalsContact CA-N 3.28Å; K1546-R1604 WeakPolarHBondContact CE-O 2.85Å; T1559-R1604 PolarHBondContact O-NH2 3.43Å; T1559-R1604 PolarHBondContact OG1-NH1 3.12Å; T1559-R1604 PolarHBondContact OG1-NH2 3.01Å; T1559-R1604 VanDerWaalsContact OG1-NH2 3.12Å; G1560-R1604 PolarHBondContact O-NE 2.74Å; G1560-R1604 PolarHBondContact O-NH2 2.74Å
1605	N	32.2	Very low	34.7	Very low	92.4 Å²	92.4	130.7 Å²	130.7	49%	0.494	70%	0.698	S	S	.	*				69.3	121.1	117.7	-66.2	52.9	0	0	0	117.9	E1542 N1544 Q1545 K1561 K1562	E1542-N1605 VanDerWaalsContact CD-ND2 3.32Å; E1542-N1605 PolarHBondContact OE1-ND2 2.71Å; E1542-N1605 PolarHBondContact OE2-N 3.04Å; E1542-N1605 PolarHBondContact OE2-ND2 2.79Å; E1542-N1605 VanDerWaalsContact OE2-ND2 3.17Å; E1542-N1605 PolarHBondContact OE2-OD1 2.7Å; N1544-N1605 WeakPolarHBondContact O-CA 3.18Å; N1544-N1605 PolarHBondContact O-N 2.79Å; Q1545-N1605 CarbonylContact O-C 3.53Å; K1561-N1605 VanDerWaalsContact C-OD1 3.25Å; K1561-N1605 HydrophobicContact CB-CB 4.29Å; K1561-N1605 WeakPolarHBondContact CB-OD1 3.36Å; K1561-N1605 HydrophobicContact CD-CB 4.35Å; K1561-N1605 PolarHBondContact O-OD1 2.79Å; K1562-N1605 WeakPolarHBondContact CB-ND2 3.49Å; K1562-N1605 WeakPolarHBondContact CB-OD1 3.37Å; K1562-N1605 WeakPolarHBondContact CD-ND2 3.46Å; K1562-N1605 PolarHBondContact N-OD1 3.12Å
1606	E	32.3	Very low	34.6	Very low	143 Å²	143	131 Å²	131	67%	0.668	70%	0.696	S	S	*	*				84.2	147.5	112.4	-78.7	142.7	-136.7	0	0	118.2	Q1545 K1561 K1562	Q1545-E1606 CarbonylContact O-C 3.56Å; Q1545-E1606 VanDerWaalsContact O-C 3.26Å; Q1545-E1606 WeakPolarHBondContact O-CA 3.29Å; Q1545-E1606 PolarHBondContact O-N 2.67Å; K1561-E1606 WeakPolarHBondContact CD-OE1 2.99Å; K1561-E1606 IonicContact NZ-OE1 2.73Å; K1561-E1606 IonicContact NZ-OE2 2.84Å; K1561-E1606 PolarHBondContact NZ-OE2 3.2Å; K1562-E1606 VanDerWaalsContact CD-OE1 3.29Å; K1562-E1606 WeakPolarHBondContact CD-OE1 3.1Å; K1562-E1606 WeakPolarHBondContact CE-OE1 3.01Å; K1562-E1606 IonicContact NZ-OE1 2.68Å; K1562-E1606 PolarHBondContact NZ-OE1 2.94Å
1607	V	33.1	Very low	34.9	Very low	113.8 Å²	113.8	130.1 Å²	130.1	69%	0.69	69%	0.691	S	S	*	*				161.4	154.6	56.6	132.5	0	0	0	0	112.7	F1547	F1547-V1607 VanDerWaalsContact C-CG1 3.42Å; F1547-V1607 WeakPolarHBondContact O-CG1 3.26Å
1608	L	36.2	Very low	34.9	Very low	157.4 Å²	157.4	132 Å²	132	82%	0.824	69%	0.688	S	S	*	*			trans	105	133.6	157.1	-84	149.9	0	0	0	118.6
1609	S	32.3	Very low	35.5	Very low	99.4 Å²	99.4	133.6 Å²	133.6	70%	0.695	69%	0.686	S	S	*	*			trans	-92	153.8	145.4	179	0	0	0	0	114.2	R1611	S1609-R1611 PolarHBondContact OG-N 3.14Å
1610	P	39.5	Very low	35.7	Very low	114.6 Å²	114.6	131.5 Å²	131.5	74%	0.744	68%	0.676	S	S	*	*				-127.6	149.4	109.8	24.4	-6.2	0	0	0	114.6
1611	R	33.5	Very low	35.7	Very low	206.6 Å²	206.6	132.4 Å²	132.4	78%	0.78	67%	0.674	S	S	*	*				64.5	142.2	56.9	-145.1	178.5	173	-169.8	-1.1	115.5	S1609 T1613	S1609-R1611 PolarHBondContact OG-N 3.14Å; R1611-T1613 HydrophobicContact CG-CG2 3.96Å; R1611-T1613 PolarHBondContact NE-O 3.01Å; R1611-T1613 PolarHBondContact NH2-O 3.38Å
1612	P	38.2	Very low	35.7	Very low	108.4 Å²	108.4	134 Å²	134	70%	0.704	68%	0.675	S	S	*	*			cis	-116.8	175.3	33.2	36.2	-25.5	0	0	0	116
1613	T	36.8	Very low	35.9	Very low	97.6 Å²	97.6	133.6 Å²	133.6	60%	0.599	68%	0.679	S	S	*	*				-160.4	152.8	86.1	29.1	0	0	0	0	116.1	R1611	R1611-T1613 HydrophobicContact CG-CG2 3.96Å; R1611-T1613 PolarHBondContact NE-O 3.01Å; R1611-T1613 PolarHBondContact NH2-O 3.38Å
1614	T	34.3	Very low	35.9	Very low	109.6 Å²	109.6	137 Å²	137	67%	0.672	69%	0.686	S	S	*	*				90.8	148.4	92.3	64	0	0	0	0	116.1
1615	T	35.9	Very low	36	Very low	102.8 Å²	102.8	134.2 Å²	134.2	63%	0.631	69%	0.689	S	S	*	*			cis	143	138.3	47.3	12.2	0	0	0	0	115.4
1616	D	33.6	Very low	36	Very low	111.2 Å²	111.2	136.5 Å²	136.5	60%	0.595	70%	0.7	S	S	*	*				60.2	137.8	124.5	-56.6	-16.1	0	0	0	123.7	S801 K835 R836	S801-D1616 WeakPolarHBondContact CB-O 3.49Å; K835-D1616 WeakPolarHBondContact CD-OD1 3.36Å; K835-D1616 IonicContact NZ-OD1 2.74Å; R836-D1616 VanDerWaalsContact O-O 3.11Å
1617	L	38.2	Very low	36	Very low	125.4 Å²	125.4	135.2 Å²	135.2	66%	0.657	70%	0.703	S	S	*	*			trans	169.8	131.9	130.5	-74.2	158.9	0	0	0	115.4	A803 K835 R836	A803-L1617 HydrophobicContact CB-CD1 4.21Å; A803-L1617 VanDerWaalsContact N-CD1 3.28Å; K835-L1617 HydrophobicContact CD-CB 4.22Å; K835-L1617 HydrophobicContact CD-CD2 4.46Å; K835-L1617 HydrophobicContact CD-CG 4.08Å; R836-L1617 VanDerWaalsContact CD-C 3.49Å; R836-L1617 WeakPolarHBondContact CD-O 3.23Å; R836-L1617 PolarHBondContact NH1-O 3.39Å; R836-L1617 VanDerWaalsContact NH1-O 3.14Å
1618	H	32.4	Very low	35.9	Very low	144.2 Å²	144.2	135.3 Å²	135.3	67%	0.668	70%	0.703	S	S	*	*			trans	148.7	149	134.9	-157	-100.7	0	0	0	115.7	N834 K835 R836	N834-H1618 CarbonylContact C-O 3.56Å; K835-H1618 VanDerWaalsContact C-CB 3.44Å; K835-H1618 WeakPolarHBondContact O-CB 3.23Å; R836-H1618 HydrophobicContact CB-CB 3.56Å; R836-H1618 HydrophobicContact CG-CB 3.62Å
1619	P	44.4	Very low	36	Very low	99.4 Å²	99.4	134.9 Å²	134.9	65%	0.645	70%	0.701	S	S	*	*			trans	-112.4	174.5	-162.4	39.8	-29.3	0	0	0	115.6
1620	N	37.9	Very low	36.1	Very low	111.8 Å²	111.8	137.9 Å²	137.9	60%	0.598	71%	0.705	S	S	*	*			trans	169	123.2	176.9	-135.1	-21.1	0	0	0	116.3	D833 R2246 V2247	D833-N1620 PolarHBondContact O-ND2 3.26Å; N1620-R2246 WeakPolarHBondContact OD1-CB 3.41Å; N1620-V2247 VanDerWaalsContact CG-CG2 3.46Å; N1620-V2247 WeakPolarHBondContact ND2-CG2 3.31Å; N1620-V2247 VanDerWaalsContact OD1-CG2 3.29Å; N1620-V2247 WeakPolarHBondContact OD1-CG2 3.3Å; N1620-V2247 PolarHBondContact OD1-N 3.01Å
1621	K	39.2	Very low	35.8	Very low	157.2 Å²	157.2	140.2 Å²	140.2	68%	0.683	70%	0.703	S	S	*	*			trans	84.4	119.7	141.2	-74.4	-178.5	-176.2	170.3	0	119	N834 K1623 K2243 A2244 E2245 R2246 V2247	N834-K1621 PolarHBondContact O-NZ 2.75Å; K1621-K1623 PolarHBondContact O-N 2.86Å; K1621-K2243 WeakPolarHBondContact CD-O 3.19Å; K1621-K2243 VanDerWaalsContact CE-C 3.45Å; K1621-K2243 WeakPolarHBondContact CE-O 3.32Å; K1621-K2243 HydrophobicContact CG-CB 4.43Å; K1621-K2243 WeakPolarHBondContact CG-O 3.23Å; K1621-K2243 WeakPolarHBondContact O-CD 3.2Å; K1621-K2243 WeakPolarHBondContact O-CE 2.93Å; K1621-K2243 PolarHBondContact O-NZ 2.75Å; K1621-A2244 WeakPolarHBondContact CE-O 3.35Å; K1621-A2244 PolarHBondContact NZ-O 2.73Å; K1621-E2245 VanDerWaalsContact CE-C 3.42Å; K1621-E2245 VanDerWaalsContact NZ-C 3.26Å; K1621-E2245 PolarHBondContact NZ-O 3.25Å; K1621-R2246 VanDerWaalsContact CE-N 3.29Å; K1621-R2246 HydrophobicContact CG-CB 4.47Å; K1621-V2247 HydrophobicContact CD-CB 3.85Å; K1621-V2247 HydrophobicContact CD-CG2 4.35Å; K1621-V2247 HydrophobicContact CG-CB 4.33Å; K1621-V2247 HydrophobicContact CG-CG2 4.28Å; K1621-V2247 PolarHBondContact NZ-O 2.73Å
1622	R	35.2	Very low	35.8	Very low	200.2 Å²	200.2	136.1 Å²	136.1	76%	0.755	70%	0.697	S	S	*	*			trans	13.4	131.4	148.1	-77.1	-166.7	176.2	-178.5	-6.8	116.7	S1479 E2240 K2243 A2244	S1479-R1622 PolarHBondContact OG-NH2 3.02Å; R1622-E2240 HydrophobicContact CB-CG 4.18Å; R1622-E2240 HydrophobicContact CG-CB 4.43Å; R1622-E2240 HydrophobicContact CG-CG 3.15Å; R1622-E2240 IonicContact CZ-OE1 2.7Å; R1622-E2240 IonicContact NE-OE1 2.75Å; R1622-E2240 PolarHBondContact NE-OE1 3.13Å; R1622-E2240 IonicContact NH1-OE1 3.1Å; R1622-E2240 PolarHBondContact NH1-OE1 3.36Å; R1622-E2240 PolarHBondContact NH2-O 2.83Å; R1622-E2240 IonicContact NH2-OE1 2.76Å; R1622-E2240 PolarHBondContact NH2-OE1 3.15Å; R1622-K2243 HydrophobicContact CB-CB 3.33Å; R1622-K2243 HydrophobicContact CB-CD 3.98Å; R1622-K2243 HydrophobicContact CB-CG 4.31Å; R1622-K2243 VanDerWaalsContact CB-O 3.23Å; R1622-K2243 WeakPolarHBondContact CB-O 3.4Å; R1622-K2243 WeakPolarHBondContact CD-O 3.37Å; R1622-K2243 HydrophobicContact CG-CB 3.84Å; R1622-K2243 WeakPolarHBondContact CG-O 3.28Å; R1622-A2244 VanDerWaalsContact NE-CB 3.26Å
1623	K	39.1	Very low	35.8	Very low	194 Å²	194	136.2 Å²	136.2	84%	0.843	69%	0.69	S	S	*	*				-163.2	147.3	117.1	-112.8	173.2	-177	-178.3	0	112.6	K1621 E2240	K1621-K1623 PolarHBondContact O-N 2.86Å; K1623-E2240 VanDerWaalsContact CA-OE1 3.31Å; K1623-E2240 WeakPolarHBondContact CA-OE1 3.24Å
1624	R	34.9	Very low	35.6	Very low	206 Å²	206	136.7 Å²	136.7	78%	0.777	69%	0.689	S	S	*	*			trans	-33.3	152.1	144.4	-100.7	180	-176.9	165.6	0.6	114.1	R2233 Q2236 S2237 E2240	R1624-R2233 PolarHBondContact NH1-O 2.79Å; R1624-R2233 PolarHBondContact NH2-O 2.96Å; R1624-Q2236 VanDerWaalsContact NH2-CB 3.28Å; R1624-S2237 VanDerWaalsContact NH1-CB 3.26Å; R1624-S2237 PolarHBondContact NH1-OG 2.75Å; R1624-E2240 WeakPolarHBondContact CA-OE1 3.37Å; R1624-E2240 VanDerWaalsContact CB-CD 3.46Å; R1624-E2240 VanDerWaalsContact CB-OE1 3.32Å; R1624-E2240 WeakPolarHBondContact CB-OE1 3.25Å; R1624-E2240 WeakPolarHBondContact CB-OE2 3.46Å; R1624-E2240 VanDerWaalsContact CD-OE2 3.23Å; R1624-E2240 WeakPolarHBondContact CD-OE2 3.31Å; R1624-E2240 WeakPolarHBondContact CG-OE2 3.28Å; R1624-E2240 PolarHBondContact N-OE1 2.92Å; R1624-E2240 PolarHBondContact N-OE2 2.75Å; R1624-E2240 VanDerWaalsContact N-OE2 3.17Å; R1624-E2240 IonicContact NE-OE2 3.35Å
1625	V	37.4	Very low	35.7	Very low	123.6 Å²	123.6	138.5 Å²	138.5	75%	0.749	69%	0.69	S	S	*	*			trans	152.6	117.5	157.3	175.6	0	0	0	0	111.8
1626	L	31.6	Very low	35.7	Very low	139.6 Å²	139.6	139.3 Å²	139.3	73%	0.731	69%	0.69	S	S	*	*			trans	76.4	139.8	132.5	-94	113.5	0	0	0	115.6
1627	T	32.9	Very low	35.8	Very low	116.6 Å²	116.6	140 Å²	140	72%	0.715	69%	0.694	S	S	*	*			trans	154.2	131.3	155.7	43.9	0	0	0	0	112.1	L1629	T1627-L1629 PolarHBondContact O-N 3.02Å; T1627-L1629 VanDerWaalsContact O-N 3.15Å
1628	T	30.9	Very low	35.4	Very low	114.8 Å²	114.8	138.6 Å²	138.6	70%	0.704	69%	0.693	S	S	*	*			cis	140.6	130.8	49.5	23	0	0	0	0	112.3
1629	L	36.8	Very low	35.6	Very low	149.2 Å²	149.2	135.9 Å²	135.9	78%	0.781	69%	0.691	S	S	*	*			trans	113.8	115.5	148.8	-81	162.8	0	0	0	114.8	T1627 K1631	T1627-L1629 PolarHBondContact O-N 3.02Å; T1627-L1629 VanDerWaalsContact O-N 3.15Å; L1629-K1631 HydrophobicContact CD2-CB 4.31Å; L1629-K1631 PolarHBondContact O-N 2.89Å
1630	Q	34.6	Very low	35.1	Very low	163.6 Å²	163.6	138 Å²	138	76%	0.764	70%	0.697	S	S	*	*				93.1	112.6	78.3	-163.9	-177.5	46.8	0	0	112.3
1631	K	33.6	Very low	34.8	Very low	162.4 Å²	162.4	140.5 Å²	140.5	71%	0.706	71%	0.705	S	S	*	*				90.8	111.3	119.1	-122	178	174	175.6	0	115.5	L1629	L1629-K1631 HydrophobicContact CD2-CB 4.31Å; L1629-K1631 PolarHBondContact O-N 2.89Å
1632	N	33.5	Very low	34.5	Very low	121.2 Å²	121.2	139.7 Å²	139.7	65%	0.648	71%	0.706	S	S	*	*				105	132.7	99.3	-93.3	-5.3	0	0	0	114	S2214	N1632-S2214 WeakPolarHBondContact O-CB 3.24Å; N1632-S2214 PolarHBondContact O-OG 3.47Å
1633	I	38.3	Very low	34.3	Very low	110.6 Å²	110.6	139 Å²	139	57%	0.567	71%	0.705	S	S	*	*				88.5	116.3	109.9	-75.1	164.2	0	0	0	115.2	E1635	I1633-E1635 HydrophobicContact CG2-CG 4.06Å
1634	N	32.5	Very low	34	Very low	107.2 Å²	107.2	136.2 Å²	136.2	57%	0.573	70%	0.7	S	S	*	*			trans	73.2	153.8	144.4	-70.7	23.9	0	0	0	117.9	K2210	N1634-K2210 PolarHBondContact ND2-NZ 3Å; N1634-K2210 VanDerWaalsContact ND2-NZ 3.17Å; N1634-K2210 PolarHBondContact OD1-NZ 2.95Å
1635	E	37.5	Very low	33.9	Very low	147.8 Å²	147.8	133.9 Å²	133.9	69%	0.691	70%	0.697	S	S	*	*				-155.3	152	99.2	-96.5	143.2	-132.7	0	0	116.2	I1633	I1633-E1635 HydrophobicContact CG2-CG 4.06Å
1636	N	36.2	Very low	33.6	Very low	119 Å²	119	133.8 Å²	133.8	64%	0.636	70%	0.697	S	S	*	*			trans	75.3	136	154.3	-64.7	10.7	0	0	0	116.4
1637	D	34.5	Very low	33.7	Very low	126.8 Å²	126.8	133.2 Å²	133.2	68%	0.678	70%	0.695	S	S	*	*				166.9	145.4	78.7	-126.6	-26.6	0	0	0	116.1	P2014 T2015	D1637-P2014 CarbonylContact O-C 3.57Å; D1637-P2014 VanDerWaalsContact O-C 3.25Å; D1637-P2014 WeakPolarHBondContact O-CA 3.33Å; D1637-P2014 WeakPolarHBondContact O-CB 3.38Å; D1637-T2015 PolarHBondContact O-N 2.83Å
1638	C	31.2	Very low	33.9	Very low	95.2 Å²	95.2	134.6 Å²	134.6	64%	0.643	69%	0.693	S	S	*	*			trans	-120.7	164.9	174.9	-65.3	0	0	0	0	118.3	T2015 E2016	C1638-T2015 WeakPolarHBondContact CB-O 3.44Å; C1638-E2016 VanDerWaalsContact CB-CA 3.49Å; C1638-E2016 VanDerWaalsContact CB-N 3.31Å; C1638-E2016 WeakPolarHBondContact CB-O 3.27Å; C1638-E2016 PolarHBondContact SG-O 3.11Å
1639	S	34.5	Very low	34	Very low	88.6 Å²	88.6	135.6 Å²	135.6	62%	0.62	69%	0.689	S	S	*	*			trans	160.5	137.4	171.3	178.4	0	0	0	0	116.2	T2015	S1639-T2015 PolarHBondContact N-O 3.4Å
1640	N	34.9	Very low	33.8	Very low	142.6 Å²	142.6	138.2 Å²	138.2	76%	0.763	69%	0.688	S	S	*	*				-161.4	146.4	109.3	-79.4	-47.7	0	0	0	112.9
1641	Q	32.2	Very low	33.7	Very low	164 Å²	164	137.2 Å²	137.2	77%	0.766	68%	0.683	S	S	*	*				-147	162.3	91.2	-101	-168.5	38.1	0	0	112
1642	I	33.1	Very low	33.6	Very low	139.8 Å²	139.8	138.4 Å²	138.4	72%	0.717	69%	0.689	S	S	*	*			trans	90.7	115.3	155	-52.4	168.4	0	0	0	117
1643	Y	31	Very low	33.7	Very low	185.4 Å²	185.4	139 Å²	139	73%	0.727	70%	0.698	S	S	*	*			trans	54.1	136.2	135.1	-85.3	-93.3	0	0	0	119.7	H1645	Y1643-H1645 AromaticContact CE1-CD2 3.83Å; Y1643-H1645 AromaticContact CE1-NE2 3.83Å
1644	N	32.3	Very low	33.4	Very low	136.8 Å²	136.8	138.9 Å²	138.9	73%	0.732	71%	0.707	S	S	*	*				152.7	146.1	117	-89.8	-43.4	0	0	0	116.7
1645	H	31.6	Very low	33.7	Very low	157.8 Å²	157.8	138.8 Å²	138.8	73%	0.731	71%	0.712	S	S	*	*			trans	130.6	124.6	150	-76.3	-47.6	0	0	0	115.8	Y1643	Y1643-H1645 AromaticContact CE1-CD2 3.83Å; Y1643-H1645 AromaticContact CE1-NE2 3.83Å
1646	T	32.9	Very low	33.5	Very low	121.6 Å²	121.6	140.2 Å²	140.2	75%	0.746	72%	0.716	S	S	*	*			trans	-153.7	136.6	137.9	44.3	0	0	0	0	112.5
1647	N	33.2	Very low	33.5	Very low	126.6 Å²	126.6	141.9 Å²	141.9	68%	0.677	72%	0.719	S	S	*	*				96.5	146.7	102	-117.7	-13.9	0	0	0	117.1	S1383	S1383-N1647 VanDerWaalsContact CB-O 3.31Å; S1383-N1647 WeakPolarHBondContact CB-O 2.88Å
1648	H	36	Very low	33.5	Very low	146.2 Å²	146.2	142.6 Å²	142.6	68%	0.677	72%	0.718	S	S	*	*			trans	135.6	143.8	148.4	-74.4	-46.6	0	0	0	113.7	N1382 S1383	N1382-H1648 CarbonylContact C-O 2.93Å; S1383-H1648 WeakPolarHBondContact CB-O 3.4Å; S1383-H1648 PolarHBondContact N-O 2.93Å; S1383-H1648 PolarHBondContact OG-N 2.67Å; S1383-H1648 VanDerWaalsContact OG-N 3.09Å; S1383-H1648 PolarHBondContact OG-O 3.06Å
1649	H	33.8	Very low	33.7	Very low	135.8 Å²	135.8	142.4 Å²	142.4	63%	0.629	72%	0.718	S	S	*	*				160.9	152.3	70.5	-101.7	-44.4	0	0	0	113.3	S1383	S1383-H1649 PolarHBondContact OG-O 3.21Å
1650	R	33.2	Very low	33.7	Very low	202.8 Å²	202.8	143.9 Å²	143.9	77%	0.765	72%	0.723	S	S	*	*				84.8	145.5	118.6	-102.5	173.9	-164.8	-156.4	7.2	115.7
1651	H	32	Very low	33.7	Very low	143 Å²	143	146.8 Å²	146.8	66%	0.662	73%	0.725	S	S	*	*			trans	114.9	145.5	146.6	-79.4	-72.7	0	0	0	115.4
1652	F	31.3	Very low	33.8	Very low	187.2 Å²	187.2	148.8 Å²	148.8	82%	0.821	73%	0.726	S	S	*	*				23.2	135.8	118.9	-75.9	-91.1	0	0	0	115.3
1653	T	35.7	Very low	33.9	Very low	135.2 Å²	135.2	150.7 Å²	150.7	83%	0.829	73%	0.729	S	S	*	*				-162.4	149.8	94.3	31	0	0	0	0	114.3
1654	S	31.4	Very low	34.2	Very low	108.2 Å²	108.2	149.4 Å²	149.4	76%	0.757	73%	0.729	S	S	*	*			trans	-107.2	172.4	161.1	-133.9	0	0	0	0	109.5
1655	P	38.5	Very low	34.2	Very low	105.4 Å²	105.4	149.7 Å²	149.7	68%	0.684	73%	0.726	S	S	*	*			cis	-137.1	170	30.1	32.8	-13.7	0	0	0	114.9
1656	K	34.9	Very low	34.3	Very low	176.4 Å²	176.4	152 Å²	152	77%	0.767	73%	0.728	S	S	*	*			trans	109.9	134.6	130.5	-76.2	176.9	-177.9	179.4	0	116.4
1657	H	34.3	Very low	34.5	Very low	154.4 Å²	154.4	152.9 Å²	152.9	72%	0.715	73%	0.727	S	S	*	*				102	151.1	97.3	-98.9	-90.1	0	0	0	116.5
1658	H	36.5	Very low	34.5	Very low	141.8 Å²	141.8	153.8 Å²	153.8	66%	0.656	73%	0.727	S	S	*	*			trans	112.7	141.4	136.4	-83	-71	0	0	0	115.2	R1375	R1375-H1658 PolarHBondContact N-O 3.42Å
1659	S	33.7	Very low	34.3	Very low	91.4 Å²	91.4	151.6 Å²	151.6	64%	0.639	73%	0.728	S	S	*	*			cis	152.3	135	5.9	-151.9	0	0	0	0	113.9
1660	T	35.7	Very low	34.5	Very low	118.6 Å²	118.6	151 Å²	151	73%	0.728	74%	0.736	S	S	*	*			trans	-143	147.1	171.8	18.9	0	0	0	0	113.7	R1662	T1660-R1662 PolarHBondContact O-N 3.32Å
1661	Y	34.4	Very low	34.6	Very low	204.6 Å²	204.6	149.8 Å²	149.8	80%	0.802	74%	0.736	S	S	*	*			trans	-145.3	142.7	156.7	-98	-91.2	0	0	0	113.6
1662	R	35.2	Very low	35	Very low	206 Å²	206	148.1 Å²	148.1	78%	0.777	74%	0.738	S	S	*	*				-176.9	135	126.6	-122.4	-179.2	178.6	-167.4	-1.3	115.3	T1660 Q1664	T1660-R1662 PolarHBondContact O-N 3.32Å; R1662-Q1664 VanDerWaalsContact CZ-OE1 3.31Å; R1662-Q1664 PolarHBondContact O-N 3.2Å
1663	K	34.8	Very low	35.1	Very low	179 Å²	179	148.2 Å²	148.2	78%	0.778	73%	0.734	S	S	*	*			trans	-112.3	139.7	150.1	-81.1	-179.5	179.4	-176.5	0	111.9
1664	Q	36.9	Very low	35	Very low	157.8 Å²	157.8	150.9 Å²	150.9	74%	0.737	74%	0.735	S	S	*	*				157.4	135.8	127.6	-85.6	-161.3	-11.3	0	0	114.5	R1662	R1662-Q1664 VanDerWaalsContact CZ-OE1 3.31Å; R1662-Q1664 PolarHBondContact O-N 3.2Å
1665	H	32.2	Very low	35.3	Very low	144.6 Å²	144.6	149.9 Å²	149.9	67%	0.669	73%	0.728	S	S	*	*			trans	-127.6	158.6	171.6	-73.1	-88.4	0	0	0	112.8	P1274 P1275 P1276	P1274-H1665 VanDerWaalsContact C-CB 3.49Å; P1274-H1665 HydrophobicContact CB-CB 3.77Å; P1274-H1665 HydrophobicContact CG-CB 4.21Å; P1274-H1665 WeakPolarHBondContact O-CB 3.34Å; P1275-H1665 PolarHBondContact O-CD2 2.51Å; P1275-H1665 VanDerWaalsContact O-CD2 3.24Å; P1276-H1665 HydrophobicContact CB-CB 4.04Å; P1276-H1665 WeakPolarHBondContact CB-O 3.06Å; P1276-H1665 WeakPolarHBondContact CG-O 2.99Å
1666	R	33.8	Very low	35.2	Very low	206.2 Å²	206.2	151.8 Å²	151.8	78%	0.778	73%	0.732	S	S	*	*			trans	-145.2	145.4	160.6	-108.4	160.4	-168.8	178.4	1.4	111.6	P1274 H1668	P1274-R1666 CarbonylContact O-C 3.1Å; P1274-R1666 WeakPolarHBondContact O-CA 3.38Å; P1274-R1666 PolarHBondContact O-N 2.74Å; R1666-H1668 PolarHBondContact NE-CD2 3.15Å; R1666-H1668 PolarHBondContact NE-NE2 3.22Å; R1666-H1668 PolarHBondContact NH2-NE2 2.92Å
1667	I	36.8	Very low	35.4	Very low	139.6 Å²	139.6	151.2 Å²	151.2	72%	0.716	74%	0.737	S	S	*	*			trans	-108.2	148	134.3	-56.8	166.6	0	0	0	112.4
1668	H	33.8	Very low	35.6	Very low	145.6 Å²	145.6	147.1 Å²	147.1	67%	0.674	74%	0.737	S	S	*	*			trans	-143.8	145.6	167.3	-85.6	-63.2	0	0	0	112.8	R1666	R1666-H1668 PolarHBondContact NE-CD2 3.15Å; R1666-H1668 PolarHBondContact NE-NE2 3.22Å; R1666-H1668 PolarHBondContact NH2-NE2 2.92Å
1669	S	32.4	Very low	35.6	Very low	99.4 Å²	99.4	146.7 Å²	146.7	70%	0.695	75%	0.745	S	S	*	*			trans	-118.8	165.7	156.7	13.2	0	0	0	0	112.7
1670	P	37.1	Very low	35.8	Very low	124.4 Å²	124.4	149.9 Å²	149.9	81%	0.808	75%	0.753	S	S	*	*			trans	-116.6	177	151.8	38.9	-29.8	0	0	0	114.6
1671	K	35	Very low	35.8	Very low	177 Å²	177	151.9 Å²	151.9	77%	0.77	76%	0.758	S	S	*	*			trans	-127.7	149.8	149.3	-110	-178	173	-171.6	0	110.4	Y1673	K1671-Y1673 HydrophobicContact CB-CD2 4.05Å; K1671-Y1673 HydrophobicContact CB-CE2 4.08Å; K1671-Y1673 HydrophobicContact CD-CD2 4.38Å; K1671-Y1673 HydrophobicContact CD-CE2 3.91Å; K1671-Y1673 HydrophobicContact CG-CD2 4.5Å; K1671-Y1673 HydrophobicContact CG-CE2 4.01Å; K1671-Y1673 VanDerWaalsContact NZ-CE2 3.33Å; K1671-Y1673 VanDerWaalsContact NZ-CZ 3.25Å; K1671-Y1673 PolarHBondContact NZ-OH 3.08Å; K1671-Y1673 VanDerWaalsContact NZ-OH 3.1Å
1672	P	39.8	Very low	35.7	Very low	106.6 Å²	106.6	149.4 Å²	149.4	69%	0.692	76%	0.759	S	S	*	*			trans	-103.8	167.6	165.4	33.7	-24.8	0	0	0	113.8
1673	Y	33.7	Very low	35.7	Very low	189.2 Å²	189.2	144.6 Å²	144.6	74%	0.742	76%	0.757	S	S	*	*			trans	-164.1	135.4	164.4	-93.5	-80.2	0	0	0	112	K1671	K1671-Y1673 HydrophobicContact CB-CD2 4.05Å; K1671-Y1673 HydrophobicContact CB-CE2 4.08Å; K1671-Y1673 HydrophobicContact CD-CD2 4.38Å; K1671-Y1673 HydrophobicContact CD-CE2 3.91Å; K1671-Y1673 HydrophobicContact CG-CD2 4.5Å; K1671-Y1673 HydrophobicContact CG-CE2 4.01Å; K1671-Y1673 VanDerWaalsContact NZ-CE2 3.33Å; K1671-Y1673 VanDerWaalsContact NZ-CZ 3.25Å; K1671-Y1673 PolarHBondContact NZ-OH 3.08Å; K1671-Y1673 VanDerWaalsContact NZ-OH 3.1Å
1674	F	34	Very low	35.8	Very low	192.2 Å²	192.2	144.8 Å²	144.8	84%	0.843	76%	0.761	S	S	*	*			trans	43.6	142.7	147.6	-70.9	-73.1	0	0	0	113.7
1675	S	37.5	Very low	35.9	Very low	88 Å²	88	141.9 Å²	141.9	62%	0.615	76%	0.764	S	S	*	*			cis	-163	155.4	31.9	-107.6	0	0	0	0	111.1
1676	D	36.3	Very low	36.2	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	77%	0.773	S	S	*	*			trans	75.4	141.4	134.9	-66.8	-22.3	0	0	0	119.1
1677	D	40.4	Very low	36.4	Very low	164.6 Å²	164.6	141.3 Å²	141.3	88%	0.88	78%	0.775	S	S	*	*			trans	90.9	119.7	167.7	-88.4	-20.6	0	0	0	116.6
1678	G	38.5	Very low	36.6	Very low	68.6 Å²	68.6	140 Å²	140	71%	0.707	77%	0.773	S	S	*	*			trans	135.3	113.2	157	0	0	0	0	0	116.1
1679	T	36	Very low	36.8	Very low	132.8 Å²	132.8	143 Å²	143	82%	0.815	78%	0.784	S	S	*	*			trans	13.4	126.9	135	61.6	0	0	0	0	115.2	L1681	T1679-L1681 PolarHBondContact O-N 2.82Å
1680	I	37.1	Very low	36.9	Very low	159 Å²	159	141.7 Å²	141.7	82%	0.815	79%	0.786	S	S	*	*			trans	135	117.7	137.9	-70.1	166.2	0	0	0	113
1681	L	35.4	Very low	36.7	Very low	160 Å²	160	140.7 Å²	140.7	84%	0.838	78%	0.782	S	S	*	*			trans	-43.6	143.4	159	-63	165.8	0	0	0	114.4	T1679 S1683	T1679-L1681 PolarHBondContact O-N 2.82Å; L1681-S1683 PolarHBondContact O-N 3.49Å
1682	D	34.1	Very low	36.6	Very low	152.4 Å²	152.4	141.2 Å²	141.2	82%	0.815	79%	0.785	S	S	*	*			trans	-136.2	154.4	153.8	-123.5	-24.4	0	0	0	110.3	E1684	D1682-E1684 PolarHBondContact O-N 2.76Å
1683	S	35.2	Very low	36.5	Very low	105.2 Å²	105.2	143.6 Å²	143.6	74%	0.736	79%	0.791	S	S	*	*			trans	-105.2	106.4	-173.6	-66.6	0	0	0	0	114.4	L1681	L1681-S1683 PolarHBondContact O-N 3.49Å
1684	E	35.7	Very low	36.5	Very low	184.4 Å²	184.4	139.7 Å²	139.7	86%	0.862	79%	0.791	S	S	*	*			trans	-114.5	125.8	159	61	-156.2	132.1	0	0	114.9	D1682	D1682-E1684 PolarHBondContact O-N 2.76Å
1685	A	39.5	Very low	36.4	Very low	96.4 Å²	96.4	136.3 Å²	136.3	80%	0.797	79%	0.789	S	S	*	*			trans	-127.2	136.8	163.6	0	0	0	0	0	112.5	D1687	A1685-D1687 PolarHBondContact O-N 3.13Å; A1685-D1687 VanDerWaalsContact O-N 3.14Å
1686	E	38.9	Very low	36.1	Very low	185 Å²	185	137 Å²	137	86%	0.864	79%	0.794	S	S	*	*			trans	-131.2	135.8	171.1	-87.9	-173	170.4	0	0	112
1687	D	38	Very low	35.8	Very low	152.4 Å²	152.4	137.5 Å²	137.5	82%	0.815	80%	0.797	S	S	*	*			trans	100.3	128.3	139.9	-125	0.6	0	0	0	114.8	A1685	A1685-D1687 PolarHBondContact O-N 3.13Å; A1685-D1687 VanDerWaalsContact O-N 3.14Å
1688	V	41	Very low	35.3	Very low	112.8 Å²	112.8	134.8 Å²	134.8	68%	0.684	79%	0.791	S	S	*	*			trans	86.4	85.2	133.1	-167.6	0	0	0	0	115.5	G1690 F1692	V1688-G1690 PolarHBondContact O-N 3.32Å; V1688-F1692 HydrophobicContact CG1-CE2 4.45Å
1689	K	37	Very low	35	Very low	208.8 Å²	208.8	137.7 Å²	137.7	91%	0.908	79%	0.794	S	S	*	*				174.6	100.1	127.2	-146.9	162.6	-175.6	171	0	114.3
1690	G	33.9	Very low	34.7	Very low	71.8 Å²	71.8	135.9 Å²	135.9	74%	0.74	79%	0.788	S	S	*	*			trans	165.8	110.3	172.6	0	0	0	0	0	114.3	V1688	V1688-G1690 PolarHBondContact O-N 3.32Å
1691	S	32.9	Very low	34.5	Very low	103.2 Å²	103.2	136.6 Å²	136.6	72%	0.722	79%	0.787	S	S	*	*			cis	-139.7	128.4	23.2	-156.3	0	0	0	0	114.6	I1693	S1691-I1693 PolarHBondContact O-N 2.86Å
1692	F	34.2	Very low	34.4	Very low	187.2 Å²	187.2	135.2 Å²	135.2	82%	0.821	79%	0.785	S	S	*	*			trans	-23.8	132.9	160.4	-64.8	-75.5	0	0	0	116.1	V1688 S1694	V1688-F1692 HydrophobicContact CG1-CE2 4.45Å; F1692-S1694 PolarHBondContact O-N 2.96Å; F1692-S1694 VanDerWaalsContact O-N 3.1Å
1693	I	37	Very low	34.5	Very low	158.4 Å²	158.4	134.9 Å²	134.9	81%	0.812	79%	0.789	S	S	*	*			trans	-132.8	127.9	132.5	-72.6	159.4	0	0	0	111.8	S1691 C1695	S1691-I1693 PolarHBondContact O-N 2.86Å; I1693-C1695 VanDerWaalsContact CG2-SG 3.57Å
1694	S	32.9	Very low	34.3	Very low	107.2 Å²	107.2	133.1 Å²	133.1	75%	0.75	79%	0.788	S	S	*	*			trans	-104.2	132.7	168.3	-136.6	0	0	0	0	113.4	F1692 S1696	F1692-S1694 PolarHBondContact O-N 2.96Å; F1692-S1694 VanDerWaalsContact O-N 3.1Å; S1694-S1696 PolarHBondContact O-N 3Å
1695	C	33.1	Very low	34.2	Very low	120 Å²	120	130.8 Å²	130.8	81%	0.811	79%	0.786	S	S	*	*			trans	-129.9	123.2	160.3	-72.4	0	0	0	0	111	I1693	I1693-C1695 VanDerWaalsContact CG2-SG 3.57Å
1696	S	30.5	Very low	33.7	Very low	102.2 Å²	102.2	130.9 Å²	130.9	72%	0.715	78%	0.781	S	S	*	*			trans	-81.8	132.9	161.2	-54	0	0	0	0	112.6	S1694	S1694-S1696 PolarHBondContact O-N 3Å
1697	D	31.3	Very low	33.4	Very low	155.8 Å²	155.8	128.8 Å²	128.8	83%	0.833	78%	0.776	S	S	*	*				-171.9	145.9	119.9	-101.5	-27.9	0	0	0	115.5
1698	S	29.6	Very low	33.1	Very low	106.2 Å²	106.2	128.8 Å²	128.8	74%	0.743	77%	0.771	S	S	*	*			trans	-71.5	123.3	166.3	-54.5	0	0	0	0	114.8
1699	V	32.5	Very low	32.7	Very low	129.6 Å²	129.6	131.5 Å²	131.5	79%	0.785	78%	0.776	S	S	*	*			trans	-145.7	117.7	149.6	175.6	0	0	0	0	112.7	H1701	V1699-H1701 WeakPolarHBondContact CG1-NE2 3.36Å
1700	S	29	Very low	32.4	Very low	96.8 Å²	96.8	126.2 Å²	126.2	68%	0.677	77%	0.765	S	S	*	*			trans	-65.6	125.6	162.6	-78.8	0	0	0	0	114.3
1701	H	32.7	Very low	32.5	Very low	172.4 Å²	172.4	130.5 Å²	130.5	80%	0.798	77%	0.767	S	S	*	*			trans	-121.9	117.1	160.1	-60.8	-51	0	0	0	114.4	V1699	V1699-H1701 WeakPolarHBondContact CG1-NE2 3.36Å
1702	T	33.6	Very low	32.5	Very low	130 Å²	130	133.5 Å²	133.5	80%	0.798	77%	0.767	S	S	*	*			trans	-100.8	130.6	150.6	39.7	0	0	0	0	111.8	G1704	T1702-G1704 PolarHBondContact O-N 3Å
1703	T	36.2	Very low	32.5	Very low	146.2 Å²	146.2	130.9 Å²	130.9	90%	0.897	76%	0.762	S	S	*	*			trans	-52.6	123	164.1	48	0	0	0	0	113.6
1704	G	30.7	Very low	32.3	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	76%	0.757	S	S	*	*			trans	-158.2	121.4	174.2	0	0	0	0	0	112.2	T1702	T1702-G1704 PolarHBondContact O-N 3Å
1705	T	32.6	Very low	32.2	Very low	135.4 Å²	135.4	132.7 Å²	132.7	83%	0.831	76%	0.759	S	S	*	*			trans	-71.7	148.3	156	52.7	0	0	0	0	115.4
1706	S	30.1	Very low	32.3	Very low	98.4 Å²	98.4	133.2 Å²	133.2	69%	0.688	75%	0.753	S	S	*	*			trans	49.6	124.6	161.5	64	0	0	0	0	118.2
1707	D	31.6	Very low	32.5	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	75%	0.75	S	S	*	*				115.9	146.2	95.8	-86.4	-34.3	0	0	0	121.5
1708	H	33	Very low	32.7	Very low	152.2 Å²	152.2	135.4 Å²	135.4	71%	0.705	75%	0.746	S	S	*	*			trans	62	127.6	147.4	-91.3	-102.7	0	0	0	122.4
1709	H	32.2	Very low	32.9	Very low	169.6 Å²	169.6	141.8 Å²	141.8	79%	0.785	75%	0.754	S	S	*	*			trans	54.3	132.7	142.6	-66.7	-57.1	0	0	0	118.2
1710	S	31.1	Very low	32.9	Very low	96.8 Å²	96.8	139.3 Å²	139.3	68%	0.677	75%	0.754	S	S	*	*				164.8	123.1	97.9	-167.7	0	0	0	0	114.1
1711	M	34.7	Very low	33	Very low	162.4 Å²	162.4	137.9 Å²	137.9	80%	0.8	76%	0.756	S	S	*	*			trans	63.6	125	153.6	-70.5	-166.6	-83.8	0	0	116.6
1712	K	33.8	Very low	33.1	Very low	165.8 Å²	165.8	136.3 Å²	136.3	72%	0.721	75%	0.753	S	S	*	*				145.1	129	88.4	-138.2	174.1	171	-173.9	0	115.2
1713	D	33.8	Very low	33.1	Very low	133.2 Å²	133.2	139.8 Å²	139.8	71%	0.712	75%	0.752	S	S	*	*			trans	57.7	123.2	150.5	-57.1	-29.2	0	0	0	116.6
1714	S	33.7	Very low	32.9	Very low	99.2 Å²	99.2	140.6 Å²	140.6	69%	0.694	75%	0.746	S	S	*	*			cis	-162.4	138.9	14.5	144.4	0	0	0	0	113.2	L1716	S1714-L1716 PolarHBondContact O-N 3.23Å
1715	Y	30	Very low	33	Very low	203 Å²	203	144.9 Å²	144.9	80%	0.796	75%	0.749	S	S	*	*			trans	-10	127.5	160.3	-79	-101.3	0	0	0	116.2
1716	L	34.8	Very low	33	Very low	130.2 Å²	130.2	143.8 Å²	143.8	68%	0.682	75%	0.747	S	S	*	*				151.5	145.8	96.2	-149.1	64.7	0	0	0	115.4	S1714	S1714-L1716 PolarHBondContact O-N 3.23Å
1717	H	35.4	Very low	33.1	Very low	143.6 Å²	143.6	144.2 Å²	144.2	67%	0.665	75%	0.749	S	S	*	*			trans	61.3	124.9	152.9	-56.3	-65.5	0	0	0	115.6
1718	H	34.9	Very low	33.4	Very low	160.4 Å²	160.4	142.6 Å²	142.6	74%	0.743	75%	0.746	S	S	*	*				152.2	146.7	57.8	-81.4	-55.5	0	0	0	114.8	G1720	H1718-G1720 VanDerWaalsContact C-N 3.33Å; H1718-G1720 PolarHBondContact O-N 2.91Å
1719	R	33.6	Very low	33.4	Very low	240.6 Å²	240.6	140.6 Å²	140.6	91%	0.908	75%	0.745	S	S	*	*			trans	55.2	119.9	132.1	-132.2	-177.4	-168.6	-142.5	3.8	116.6	G1721	R1719-G1721 PolarHBondContact O-N 2.95Å
1720	G	32.5	Very low	33.5	Very low	77.2 Å²	77.2	140.4 Å²	140.4	80%	0.796	74%	0.744	S	S	*	*			trans	-125.6	144.7	166.8	0	0	0	0	0	112.3	H1718	H1718-G1720 VanDerWaalsContact C-N 3.33Å; H1718-G1720 PolarHBondContact O-N 2.91Å
1721	G	32.3	Very low	33.6	Very low	69 Å²	69	140.4 Å²	140.4	71%	0.711	74%	0.744	S	S	*	*				103	122.5	55.9	0	0	0	0	0	112.5	R1719	R1719-G1721 PolarHBondContact O-N 2.95Å
1722	D	33.6	Very low	33.6	Very low	138.8 Å²	138.8	140.7 Å²	140.7	74%	0.742	74%	0.743	S	S	*	*			cis	-168.2	150	43.6	-104.2	-26.3	0	0	0	112.2
1723	R	34.6	Very low	33.8	Very low	203.6 Å²	203.6	138.7 Å²	138.7	77%	0.768	75%	0.745	S	S	*	*			trans	-135.2	140.3	162.9	-76.1	170.3	-165.1	-161	0.6	115.1
1724	Q	32	Very low	33.9	Very low	163.2 Å²	163.2	139 Å²	139	76%	0.763	75%	0.747	S	S	*	*				-168.7	148.2	100.3	-84.4	-175.4	7.6	0	0	110.3
1725	M	32.3	Very low	34.1	Very low	159 Å²	159	141.1 Å²	141.1	78%	0.783	75%	0.745	S	S	*	*				107.2	137.1	84.5	-77.5	-51.8	-170.1	0	0	113.8
1726	S	33.2	Very low	34.3	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	74%	0.737	S	S	*	*				144	141.2	90.9	-30.7	0	0	0	0	116.2
1727	S	31	Very low	34.3	Very low	105.4 Å²	105.4	135.4 Å²	135.4	74%	0.737	74%	0.737	S	S	*	*			trans	-88	166.7	146.7	-155.4	0	0	0	0	110.6
1728	P	39.2	Very low	34.3	Very low	108.4 Å²	108.4	133.2 Å²	133.2	70%	0.704	73%	0.733	S	S	*	*			cis	-120.6	-168.5	17.5	25.8	-6.6	0	0	0	115.1
1729	V	32.8	Very low	34.3	Very low	110.6 Å²	110.6	134.2 Å²	134.2	67%	0.67	74%	0.736	S	S	*	*			cis	167.7	152.8	37.4	-162.5	0	0	0	0	113.6
1730	H	33.4	Very low	34.4	Very low	167 Å²	167	126 Å²	126	77%	0.773	73%	0.726	S	S	*	*			trans	63.8	138.4	170.2	-55.5	-77.2	0	0	0	116.8
1731	S	34.2	Very low	34.6	Very low	95.4 Å²	95.4	129.9 Å²	129.9	67%	0.667	73%	0.728	S	S	*	*			cis	-176.6	156.8	46.9	36	0	0	0	0	110.6
1732	E	34.6	Very low	34.4	Very low	169 Å²	169	132.2 Å²	132.2	79%	0.79	72%	0.724	S	S	*	*			trans	70.8	157.7	154.5	-63.2	137.3	-158.4	0	0	114.7
1733	T	37.5	Very low	34.5	Very low	124.4 Å²	124.4	129.1 Å²	129.1	76%	0.763	71%	0.713	S	S	*	*			cis	118.5	132.3	43.7	-51.8	0	0	0	0	112.1
1734	D	35.7	Very low	34.4	Very low	138.6 Å²	138.6	127.6 Å²	127.6	74%	0.741	71%	0.707	S	S	*	*			cis	157.1	-171.1	26.1	-139.6	-39.4	0	0	0	114.9
1735	E	39.4	Very low	34.6	Very low	143 Å²	143	125.5 Å²	125.5	67%	0.668	70%	0.7	S	S	*	*			trans	50.8	109	156	31.6	-119.4	142.9	0	0	121
1736	S	33.1	Very low	34.7	Very low	89.6 Å²	89.6	125.4 Å²	125.4	63%	0.627	70%	0.698	S	S	*	*				72.2	147.2	127.3	85.4	0	0	0	0	120.8
1737	N	35.3	Very low	34.5	Very low	124.4 Å²	124.4	124.4 Å²	124.4	67%	0.665	69%	0.691	S	S	*	*				121.1	146.9	101.3	-89.1	-26.9	0	0	0	118.1	F1739	N1737-F1739 PolarHBondContact O-N 2.8Å
1738	V	35.2	Very low	34.8	Very low	98.6 Å²	98.6	124.2 Å²	124.2	60%	0.598	69%	0.687	S	S	*	*			cis	157.9	146.9	36.1	155.5	0	0	0	0	116
1739	F	35.1	Very low	34.4	Very low	180.2 Å²	180.2	125.6 Å²	125.6	79%	0.79	69%	0.689	S	S	*	*			trans	90.9	139	163.4	-64.4	-64.2	0	0	0	116.9	N1737 L1741	N1737-F1739 PolarHBondContact O-N 2.8Å; F1739-L1741 HydrophobicContact CD1-CD1 3.68Å; F1739-L1741 HydrophobicContact CD1-CG 4.4Å; F1739-L1741 HydrophobicContact CE1-CD1 4.25Å; F1739-L1741 HydrophobicContact CG-CD1 4.33Å
1740	G	36.2	Very low	34.4	Very low	69.4 Å²	69.4	124.7 Å²	124.7	72%	0.715	69%	0.687	S	S	*	*			cis	167.6	155.3	21.1	0	0	0	0	0	111.8
1741	L	35	Very low	34.3	Very low	157.6 Å²	157.6	121.1 Å²	121.1	83%	0.825	68%	0.681	S	S	*	*			cis	-174.7	153.9	18.5	-92	168.6	0	0	0	113.2	F1739	F1739-L1741 HydrophobicContact CD1-CD1 3.68Å; F1739-L1741 HydrophobicContact CD1-CG 4.4Å; F1739-L1741 HydrophobicContact CE1-CD1 4.25Å; F1739-L1741 HydrophobicContact CG-CD1 4.33Å
1742	D	29.6	Very low	34.2	Very low	117 Å²	117	126.8 Å²	126.8	63%	0.626	69%	0.688	S	S	*	*			trans	-167.6	149.2	146.5	-149	-3.7	0	0	0	115.2	K1564 R1744	K1564-D1742 WeakPolarHBondContact CD-OD1 3.39Å; K1564-D1742 WeakPolarHBondContact CE-OD1 3.34Å; K1564-D1742 IonicContact NZ-OD1 2.08Å; K1564-D1742 PolarHBondContact NZ-OD1 3.49Å; K1564-D1742 IonicContact NZ-OD2 2.82Å; K1564-D1742 PolarHBondContact NZ-OD2 2.86Å; D1742-R1744 PolarHBondContact OD1-N 3.32Å; D1742-R1744 VanDerWaalsContact OD1-N 3.09Å; D1742-R1744 IonicContact OD2-CZ 3.04Å; D1742-R1744 IonicContact OD2-NE 2.69Å; D1742-R1744 PolarHBondContact OD2-NE 3.32Å; D1742-R1744 IonicContact OD2-NH2 2.79Å
1743	S	35.7	Very low	33.9	Very low	74 Å²	74	123.7 Å²	123.7	52%	0.517	68%	0.683	S	S	.	*			trans	156.2	108.4	141.9	-80.8	0	0	0	0	117.1	I1284 S1285 K1564 S1565 N1567	I1284-S1743 CarbonylContact C-O 3.44Å; I1284-S1743 WeakPolarHBondContact CA-O 3.45Å; I1284-S1743 WeakPolarHBondContact CB-O 3.27Å; I1284-S1743 WeakPolarHBondContact CG2-O 3.42Å; S1285-S1743 PolarHBondContact N-O 2.79Å; K1564-S1743 WeakPolarHBondContact CE-OG 3.44Å; K1564-S1743 PolarHBondContact NZ-OG 3.4Å; S1565-S1743 WeakPolarHBondContact CA-O 3.1Å; S1565-S1743 WeakPolarHBondContact CB-O 3.21Å; N1567-S1743 PolarHBondContact ND2-O 2.68Å
1744	R	31.9	Very low	33.7	Very low	172.4 Å²	172.4	124.5 Å²	124.5	65%	0.651	68%	0.678	S	S	*	*			trans	125.8	156.8	132.2	-104	170.1	-142.5	-108.4	-1.9	114.8	S1285 K1564 S1565 H1566 N1567 D1742	S1285-R1744 CarbonylContact C-O 3.52Å; S1285-R1744 PolarHBondContact N-O 2.78Å; K1564-R1744 HydrophobicContact CB-CB 4.46Å; K1564-R1744 HydrophobicContact CG-CB 4.01Å; S1565-R1744 PolarHBondContact O-NE 2.76Å; S1565-R1744 PolarHBondContact O-NH2 3.3Å; H1566-R1744 VanDerWaalsContact C-CG 3.46Å; H1566-R1744 WeakPolarHBondContact O-CG 3.4Å; N1567-R1744 WeakPolarHBondContact ND2-CA 3.4Å; N1567-R1744 PolarHBondContact ND2-N 2.89Å; N1567-R1744 PolarHBondContact ND2-O 2.97Å; N1567-R1744 PolarHBondContact OD1-O 2.76Å; D1742-R1744 PolarHBondContact OD1-N 3.32Å; D1742-R1744 VanDerWaalsContact OD1-N 3.09Å; D1742-R1744 IonicContact OD2-CZ 3.04Å; D1742-R1744 IonicContact OD2-NE 2.69Å; D1742-R1744 PolarHBondContact OD2-NE 3.32Å; D1742-R1744 IonicContact OD2-NH2 2.79Å
1745	I	36.2	Very low	33.4	Very low	119.8 Å²	119.8	122 Å²	122	61%	0.614	67%	0.672	S	S	*	*			trans	119.5	147.7	157.7	-94.2	164.3	0	0	0	111.1	P1283 I1284 S1285 S1286 N1567 K1568	P1283-I1745 CarbonylContact C-O 3.2Å; P1283-I1745 VanDerWaalsContact C-O 3.26Å; I1284-I1745 CarbonylContact C-O 3.55Å; I1284-I1745 WeakPolarHBondContact CA-O 3.43Å; I1284-I1745 PolarHBondContact N-O 2.84Å; S1285-I1745 PolarHBondContact N-O 2.75Å; S1285-I1745 CarbonylContact O-C 3.42Å; S1285-I1745 WeakPolarHBondContact O-CG1 3.45Å; S1286-I1745 WeakPolarHBondContact OG-CG1 3.38Å; N1567-I1745 CarbonylContact C-O 3.18Å; N1567-I1745 WeakPolarHBondContact CA-O 3.27Å; N1567-I1745 PolarHBondContact N-O 2.73Å; K1568-I1745 PolarHBondContact N-O 3.17Å
1746	H	33.5	Very low	33.1	Very low	156.4 Å²	156.4	120.9 Å²	120.9	72%	0.724	67%	0.67	S	S	*	*			trans	87.7	135.4	-162.2	-69.6	-56.2	0	0	0	115.5	P1283 S1285 Q1569	P1283-H1746 VanDerWaalsContact CA-O 3.25Å; P1283-H1746 WeakPolarHBondContact CA-O 3.39Å; P1283-H1746 WeakPolarHBondContact CB-O 3.22Å; S1285-H1746 PolarHBondContact OG-CD2 2.72Å; S1285-H1746 PolarHBondContact OG-N 3.45Å; Q1569-H1746 CarbonylContact C-O 3.31Å; Q1569-H1746 VanDerWaalsContact C-O 3.31Å; Q1569-H1746 WeakPolarHBondContact CA-O 3.42Å; Q1569-H1746 PolarHBondContact N-O 3.39Å; Q1569-H1746 CarbonylContact O-C 3.59Å
1747	S	29.7	Very low	33.1	Very low	91.2 Å²	91.2	126.1 Å²	126.1	64%	0.638	68%	0.678	S	S	*	*				111.2	158.8	51.7	-96.6	0	0	0	0	115.2	Q1569	Q1569-S1747 PolarHBondContact O-N 3.42Å
1748	P	38.8	Very low	33.2	Very low	100.2 Å²	100.2	126 Å²	126	65%	0.651	68%	0.675	S	S	*	*				-120	-178.8	-87	39.6	-28.4	0	0	0	115.9
1749	N	30.3	Very low	33.2	Very low	139.8 Å²	139.8	126.5 Å²	126.5	75%	0.748	68%	0.675	S	S	*	*			trans	88.5	143.6	166	-69.9	-36.6	0	0	0	117.1
1750	S	31.9	Very low	33.2	Very low	89.8 Å²	89.8	127.8 Å²	127.8	63%	0.628	68%	0.675	S	S	*	*			cis	-172.1	148.2	33.8	-177.2	0	0	0	0	112.9
1751	S	31.7	Very low	33.4	Very low	92.8 Å²	92.8	132.5 Å²	132.5	65%	0.649	68%	0.675	S	S	*	*			trans	75.4	147.3	142.5	75.8	0	0	0	0	118.7
1752	R	31.9	Very low	33.4	Very low	215.4 Å²	215.4	132.8 Å²	132.8	81%	0.813	67%	0.673	S	S	*	*			trans	153.8	127.5	132.9	-152.4	-167.7	-177.7	150.4	1.3	113.7	H1754	R1752-H1754 PolarHBondContact NH2-NE2 3.33Å
1753	C	29	Very low	33.7	Very low	103.8 Å²	103.8	135.4 Å²	135.4	70%	0.701	68%	0.678	S	S	*	*			trans	173.8	147.1	146.7	-57.7	0	0	0	0	115.3
1754	H	32.1	Very low	33.7	Very low	140.2 Å²	140.2	138.5 Å²	138.5	65%	0.649	68%	0.682	S	S	*	*				-166	136.7	119.6	-82.7	-78.5	0	0	0	109.8	R1752 D1756	R1752-H1754 PolarHBondContact NH2-NE2 3.33Å; H1754-D1756 IonicContact CE1-OD2 3.75Å; H1754-D1756 IonicContact CG-OD2 3.66Å; H1754-D1756 IonicContact ND1-OD2 3.71Å; H1754-D1756 PolarHBondContact ND1-OD2 2.95Å
1755	S	31	Very low	33.7	Very low	86.8 Å²	86.8	138.9 Å²	138.9	61%	0.607	69%	0.685	S	S	*	*			cis	86.6	133.9	48.6	80.8	0	0	0	0	113.5
1756	D	32.3	Very low	33.6	Very low	118.6 Å²	118.6	139.4 Å²	139.4	63%	0.634	69%	0.689	S	S	*	*			cis	167.2	169.3	24.2	-79.8	-75	0	0	0	115.4	H1754	H1754-D1756 IonicContact CE1-OD2 3.75Å; H1754-D1756 IonicContact CG-OD2 3.66Å; H1754-D1756 IonicContact ND1-OD2 3.71Å; H1754-D1756 PolarHBondContact ND1-OD2 2.95Å
1757	Y	33.7	Very low	33.6	Very low	200.6 Å²	200.6	135.7 Å²	135.7	79%	0.787	68%	0.68	S	S	*	*			trans	98.9	136.8	149.8	-99.8	-136.8	0	0	0	117.8
1758	I	35.8	Very low	33.7	Very low	120.8 Å²	120.8	136.7 Å²	136.7	62%	0.619	68%	0.678	S	S	*	*				104.8	139.7	73.6	-36.9	-174.5	0	0	0	115.9	R1760	I1758-R1760 HydrophobicContact CG2-CG 4.22Å
1759	N	35.3	Very low	33.4	Very low	110.2 Å²	110.2	139 Å²	139	59%	0.589	68%	0.684	S	S	*	*			trans	160.7	139.5	131.7	-83.2	-56.5	0	0	0	118.2
1760	R	36.3	Very low	33.3	Very low	207.2 Å²	207.2	136.2 Å²	136.2	78%	0.782	68%	0.675	S	S	*	*				112.8	138.7	83.2	-79.5	-179	-120.9	-167.7	-0.4	115.3	I1758	I1758-R1760 HydrophobicContact CG2-CG 4.22Å
1761	K	40.1	Very low	33.3	Very low	167.2 Å²	167.2	137.1 Å²	137.1	73%	0.727	68%	0.677	S	S	*	*				178.1	137.4	112.1	-76.1	178.9	179.3	-179.7	0	117.5	T1973	K1761-T1973 PolarHBondContact NZ-OG1 2.88Å; K1761-T1973 VanDerWaalsContact NZ-OG1 3.1Å
1762	Q	35.2	Very low	33.3	Very low	164.6 Å²	164.6	139.2 Å²	139.2	77%	0.769	68%	0.678	S	S	*	*			trans	105.8	142	138.1	-74.5	-177.7	17.4	0	0	118.7
1763	K	35.7	Very low	33.3	Very low	172 Å²	172	135.5 Å²	135.5	75%	0.748	67%	0.674	S	S	*	*			trans	172.8	122	147.8	-92.9	172.9	174	-179.1	0	114.3	H1586	H1586-K1763 VanDerWaalsContact CB-NZ 3.33Å; H1586-K1763 PolarHBondContact CD2-NZ 3.45Å
1764	K	35.5	Very low	33.4	Very low	138.2 Å²	138.2	135.4 Å²	135.4	60%	0.601	67%	0.67	S	S	*	*				44.9	124.4	107.7	-80.2	-166.9	172.4	-169	0	115.2	I2504	K1764-I2504 HydrophobicContact CB-CD1 4.27Å; K1764-I2504 HydrophobicContact CG-CD1 4.33Å; K1764-I2504 HydrophobicContact CG-CG2 4.21Å
1765	Y	32.3	Very low	33.4	Very low	182 Å²	182	133.6 Å²	133.6	71%	0.714	67%	0.669	S	S	*	*				-154.6	145.2	104.7	-111.9	-78.7	0	0	0	111.3	S1588 S1589 I2504 I2505 P2506	S1588-Y1765 CarbonylContact C-O 3.42Å; S1588-Y1765 CarbonylContact O-C 3.32Å; S1588-Y1765 VanDerWaalsContact O-C 3.29Å; S1588-Y1765 WeakPolarHBondContact O-CA 3.48Å; S1588-Y1765 WeakPolarHBondContact O-CB 3.42Å; S1588-Y1765 PolarHBondContact O-N 3.22Å; S1589-Y1765 PolarHBondContact N-O 3.47Å; Y1765-I2504 CarbonylContact C-O 3.59Å; Y1765-I2504 WeakPolarHBondContact CA-O 3.5Å; Y1765-I2504 PolarHBondContact N-O 3.25Å; Y1765-I2505 CarbonylContact O-C 3.6Å; Y1765-P2506 WeakPolarHBondContact O-CD 3.35Å
1766	L	33.6	Very low	33.4	Very low	130.6 Å²	130.6	135.4 Å²	135.4	68%	0.684	68%	0.677	S	S	*	*			trans	177.1	167.8	155.8	-110.5	127.6	0	0	0	114.6	S1589 I2504 P2506	S1589-L1766 WeakPolarHBondContact O-CD2 3.38Å; S1589-L1766 VanDerWaalsContact O-CG 3.22Å; S1589-L1766 WeakPolarHBondContact O-CG 3.44Å; L1766-I2504 VanDerWaalsContact CA-CG2 3.5Å; L1766-I2504 PolarHBondContact N-O 2.98Å; L1766-I2504 WeakPolarHBondContact O-CA 3.18Å; L1766-I2504 WeakPolarHBondContact O-CG2 3.48Å; L1766-P2506 HydrophobicContact CB-CB 3.86Å
1767	S	33.1	Very low	33.3	Very low	77.6 Å²	77.6	134 Å²	134	54%	0.543	68%	0.682	S	S	.	*			trans	152.9	140.1	170	71	0	0	0	0	114.7	S2507	S1767-S2507 WeakPolarHBondContact O-CA 3.38Å; S1767-S2507 VanDerWaalsContact O-CB 3.29Å; S1767-S2507 WeakPolarHBondContact O-CB 3.41Å
1768	N	32.1	Very low	33.3	Very low	112 Å²	112	129.6 Å²	129.6	60%	0.599	68%	0.68	S	S	*	*				-175.2	145.2	109.9	-71.7	-23.6	0	0	0	113.9	K1591 S2507 H2508	K1591-N1768 HydrophobicContact CB-CB 4.07Å; K1591-N1768 WeakPolarHBondContact CB-OD1 3.23Å; K1591-N1768 PolarHBondContact N-OD1 2.75Å; K1591-N1768 PolarHBondContact O-ND2 2.84Å; K1591-N1768 PolarHBondContact O-OD1 3.36Å; N1768-S2507 CarbonylContact O-C 3.5Å; N1768-S2507 VanDerWaalsContact O-C 3.22Å; N1768-S2507 WeakPolarHBondContact O-CA 3.43Å; N1768-S2507 PolarHBondContact O-N 3.06Å; N1768-H2508 PolarHBondContact ND2-CE1 2.84Å; N1768-H2508 PolarHBondContact ND2-NE2 2.83Å; N1768-H2508 PolarHBondContact O-N 2.82Å
1769	L	32.3	Very low	33.1	Very low	149.2 Å²	149.2	129.1 Å²	129.1	78%	0.781	68%	0.683	S	S	*	*			trans	86.4	128.9	131.1	-134.6	68.3	0	0	0	114.5
1770	C	29.3	Very low	33.1	Very low	80.8 Å²	80.8	131.4 Å²	131.4	55%	0.546	69%	0.694	S	S	.	*			cis	-171.6	154.6	10.3	-120.1	0	0	0	0	112.8	V2510	C1770-V2510 HydrophobicContact CB-CG2 4.22Å; C1770-V2510 VanDerWaalsContact CB-N 3.26Å; C1770-V2510 VanDerWaalsContact SG-CA 3.59Å; C1770-V2510 PolarHBondContact SG-N 2.94Å
1771	T	31.6	Very low	32.9	Very low	108.4 Å²	108.4	129.4 Å²	129.4	67%	0.665	69%	0.694	S	S	*	*			trans	30	149.7	141.7	18.6	0	0	0	0	115.7	N1773	T1771-N1773 PolarHBondContact O-N 3.08Å; T1771-N1773 VanDerWaalsContact O-N 3.09Å
1772	M	31.2	Very low	32.6	Very low	138 Å²	138	126.6 Å²	126.6	68%	0.68	69%	0.693	S	S	*	*			trans	-135.9	143.1	164.5	-79	-63.6	142.6	0	0	109.8	F1800	M1772-F1800 WeakPolarHBondContact O-CD1 3.47Å; M1772-F1800 PolarHBondContact O-N 2.75Å
1773	N	30.9	Very low	32.5	Very low	137.4 Å²	137.4	129.2 Å²	129.2	74%	0.735	70%	0.696	S	S	*	*			trans	54.4	144	150.4	-76.4	-12.8	0	0	0	114.2	T1771	T1771-N1773 PolarHBondContact O-N 3.08Å; T1771-N1773 VanDerWaalsContact O-N 3.09Å
1774	T	31.9	Very low	32.5	Very low	100.4 Å²	100.4	127.5 Å²	127.5	62%	0.616	70%	0.695	S	S	*	*				-175	128.9	113.3	37.3	0	0	0	0	115.8	V1392 S1393	V1392-T1774 HydrophobicContact CB-CG2 3.58Å; V1392-T1774 HydrophobicContact CG1-CG2 3.62Å; V1392-T1774 WeakPolarHBondContact CG1-OG1 3.14Å; V1392-T1774 WeakPolarHBondContact O-CG2 3.46Å; S1393-T1774 VanDerWaalsContact OG-CG2 3.26Å; S1393-T1774 WeakPolarHBondContact OG-CG2 3.23Å
1775	T	32.3	Very low	32.7	Very low	102.8 Å²	102.8	125 Å²	125	63%	0.631	70%	0.7	S	S	*	*				57.8	119.6	128.9	17.8	0	0	0	0	120.4	D1796 D1798 R1799	T1775-D1796 CarbonylContact C-O 3.31Å; T1775-D1796 WeakPolarHBondContact CB-O 3.4Å; T1775-D1796 VanDerWaalsContact O-O 3.11Å; T1775-D1796 PolarHBondContact OG1-O 2.81Å; T1775-D1798 VanDerWaalsContact CG2-CA 3.47Å; T1775-D1798 HydrophobicContact CG2-CB 4.01Å; T1775-D1798 VanDerWaalsContact CG2-CG 3.43Å; T1775-D1798 WeakPolarHBondContact CG2-OD1 3.37Å; T1775-R1799 HydrophobicContact CG2-CG 4.43Å
1776	T	31.4	Very low	32.9	Very low	125.8 Å²	125.8	124.4 Å²	124.4	77%	0.772	71%	0.709	S	S	*	*				170.9	137.8	123	53.8	0	0	0	0	116.2	L1795 D1796 S1797	T1776-L1795 WeakPolarHBondContact CA-O 2.95Å; T1776-L1795 VanDerWaalsContact CB-O 3.29Å; T1776-L1795 WeakPolarHBondContact CB-O 3.06Å; T1776-L1795 WeakPolarHBondContact CG2-O 3.26Å; T1776-D1796 WeakPolarHBondContact CA-O 3.07Å; T1776-D1796 PolarHBondContact N-O 3.02Å; T1776-S1797 CarbonylContact C-O 3.56Å; T1776-S1797 WeakPolarHBondContact CA-O 3.21Å; T1776-S1797 PolarHBondContact N-O 2.74Å
1777	A	30.1	Very low	33.2	Very low	89.2 Å²	89.2	121.7 Å²	121.7	74%	0.737	71%	0.713	S	S	*	*			trans	142.4	132.7	157.9	0	0	0	0	0	115	D1796 S1797	A1777-D1796 VanDerWaalsContact CA-CB 3.5Å; A1777-S1797 PolarHBondContact N-O 2.65Å
1778	S	33.6	Very low	33.3	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	73%	0.725	S	S	*	*				-177.2	131.1	110.1	102.7	0	0	0	0	112.2	D1796	S1778-D1796 WeakPolarHBondContact CA-OD2 3.24Å; S1778-D1796 VanDerWaalsContact N-CG 3.32Å; S1778-D1796 PolarHBondContact N-OD2 3.07Å
1779	T	31.5	Very low	33.5	Very low	110.8 Å²	110.8	124.8 Å²	124.8	68%	0.68	73%	0.732	S	S	*	*			trans	50.9	127.4	134.7	-33.7	0	0	0	0	116.5	L1795 D1796	T1779-L1795 HydrophobicContact CG2-CD2 3.58Å; T1779-L1795 WeakPolarHBondContact OG1-CD1 3.42Å; T1779-L1795 WeakPolarHBondContact OG1-CD2 3.11Å; T1779-D1796 PolarHBondContact N-OD2 3.44Å
1780	L	34.4	Very low	33.6	Very low	157.6 Å²	157.6	121.3 Å²	121.3	83%	0.825	72%	0.724	S	S	*	*				166	123.8	110.7	-85.8	169.5	0	0	0	113.6
1781	Q	32	Very low	34.1	Very low	166.4 Å²	166.4	125.5 Å²	125.5	78%	0.778	73%	0.734	S	S	*	*			trans	-73.3	156.3	152.6	-99.5	-135.6	-5.3	0	0	111.4
1782	P	34.9	Very low	34.4	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	73%	0.734	S	S	*	*				-146.5	160.7	70.4	40.3	-21.6	0	0	0	118	D1784	P1782-D1784 WeakPolarHBondContact CB-OD2 3.28Å
1783	R	33.4	Very low	34.7	Very low	219.6 Å²	219.6	123.3 Å²	123.3	83%	0.829	73%	0.731	S	S	*	*			trans	83	121.1	149.8	-85.4	-175.8	145.6	160	0.5	118.8
1784	D	34	Very low	35.1	Very low	135.2 Å²	135.2	123.4 Å²	123.4	72%	0.723	73%	0.731	S	S	*	*			trans	-58.8	147.8	131.1	-46.1	-49	0	0	0	111.7	P1782	P1782-D1784 WeakPolarHBondContact CB-OD2 3.28Å
1785	A	40.4	Very low	35.6	Very low	87.2 Å²	87.2	124.6 Å²	124.6	72%	0.721	73%	0.733	S	S	*	*				-176.7	122.9	58.2	0	0	0	0	0	111.8
1786	D	37.2	Very low	35.8	Very low	168 Å²	168	125.1 Å²	125.1	90%	0.898	73%	0.732	S	S	*	*			trans	46.3	143.5	138.8	-65.9	-31	0	0	0	117
1787	G	39.6	Very low	36	Very low	75 Å²	75	123.6 Å²	123.6	77%	0.773	73%	0.726	S	S	*	*			trans	-176.2	89.7	176.7	0	0	0	0	0	116.4
1788	D	34.4	Very low	36.3	Very low	147.8 Å²	147.8	125.7 Å²	125.7	79%	0.79	73%	0.725	S	S	*	*			trans	-95.1	142.1	163.7	-102.2	-44.2	0	0	0	117.2	S1397	S1397-D1788 WeakPolarHBondContact CB-OD2 3.04Å; S1397-D1788 VanDerWaalsContact OG-CA 3.28Å; S1397-D1788 WeakPolarHBondContact OG-CA 3.27Å; S1397-D1788 WeakPolarHBondContact OG-CB 3.32Å; S1397-D1788 PolarHBondContact OG-N 2.97Å; S1397-D1788 PolarHBondContact OG-OD2 2.85Å
1789	S	35.9	Very low	36.4	Very low	107 Å²	107	129 Å²	129	75%	0.748	72%	0.721	S	S	*	*			trans	79.5	116	133.3	-156	0	0	0	0	119.4
1790	A	36.5	Very low	36.7	Very low	74.6 Å²	74.6	132.1 Å²	132.1	62%	0.617	73%	0.726	S	S	*	*			trans	86	144.8	142.8	0	0	0	0	0	118.1
1791	F	38.9	Very low	36.8	Very low	168.4 Å²	168.4	129.9 Å²	129.9	74%	0.739	72%	0.723	S	S	*	*			trans	114	150	138.3	-83	-81.6	0	0	0	118.5
1792	D	37.8	Very low	36.8	Very low	126.2 Å²	126.2	126.8 Å²	126.8	68%	0.675	73%	0.726	S	S	*	*			trans	-11.6	130.5	176	-95.4	-20.9	0	0	0	119	R1388	R1388-D1792 WeakPolarHBondContact CB-O 3.3Å
1793	A	38.3	Very low	36.7	Very low	75.4 Å²	75.4	128.6 Å²	128.6	62%	0.623	73%	0.73	S	S	*	*			trans	45.5	124.8	135.4	0	0	0	0	0	117.6	R1388	R1388-A1793 VanDerWaalsContact CD-O 3.3Å; R1388-A1793 WeakPolarHBondContact CD-O 3.43Å; R1388-A1793 PolarHBondContact NH1-O 2.92Å
1794	L	38.9	Very low	36.8	Very low	139 Å²	139	122.8 Å²	122.8	73%	0.728	72%	0.723	S	S	*	*			trans	-58.9	135.7	135	-55	160.1	0	0	0	116.9	D1796	L1794-D1796 HydrophobicContact CD2-CB 4.05Å; L1794-D1796 WeakPolarHBondContact CD2-OD1 3.25Å
1795	L	42.6	Very low	37	Very low	126 Å²	126	124.3 Å²	124.3	66%	0.66	72%	0.723	S	S	*	*				53	140.8	88.1	-72.2	177.8	0	0	0	116.3	R1388 T1776 T1779	R1388-L1795 PolarHBondContact NH1-O 2.57Å; R1388-L1795 PolarHBondContact NH2-O 2.92Å; T1776-L1795 WeakPolarHBondContact CA-O 2.95Å; T1776-L1795 VanDerWaalsContact CB-O 3.29Å; T1776-L1795 WeakPolarHBondContact CB-O 3.06Å; T1776-L1795 WeakPolarHBondContact CG2-O 3.26Å; T1779-L1795 HydrophobicContact CG2-CD2 3.58Å; T1779-L1795 WeakPolarHBondContact OG1-CD1 3.42Å; T1779-L1795 WeakPolarHBondContact OG1-CD2 3.11Å
1796	D	36.6	Very low	37	Very low	112.4 Å²	112.4	125.3 Å²	125.3	60%	0.601	73%	0.725	S	S	*	*			trans	59.5	107.1	140	-82.5	-9.5	0	0	0	119.9	R1388 T1775 T1776 A1777 S1778 T1779 L1794	R1388-D1796 IonicContact CZ-OD1 2.89Å; R1388-D1796 VanDerWaalsContact CZ-OD1 3.26Å; R1388-D1796 IonicContact CZ-OD2 3.94Å; R1388-D1796 IonicContact NE-OD1 3.11Å; R1388-D1796 PolarHBondContact NE-OD1 2.88Å; R1388-D1796 IonicContact NH2-OD1 3.01Å; R1388-D1796 PolarHBondContact NH2-OD1 2.68Å; R1388-D1796 IonicContact NH2-OD2 2.7Å; R1388-D1796 PolarHBondContact NH2-OD2 2.94Å; T1775-D1796 CarbonylContact C-O 3.31Å; T1775-D1796 WeakPolarHBondContact CB-O 3.4Å; T1775-D1796 VanDerWaalsContact O-O 3.11Å; T1775-D1796 PolarHBondContact OG1-O 2.81Å; T1776-D1796 WeakPolarHBondContact CA-O 3.07Å; T1776-D1796 PolarHBondContact N-O 3.02Å; A1777-D1796 VanDerWaalsContact CA-CB 3.5Å; S1778-D1796 WeakPolarHBondContact CA-OD2 3.24Å; S1778-D1796 VanDerWaalsContact N-CG 3.32Å; S1778-D1796 PolarHBondContact N-OD2 3.07Å; T1779-D1796 PolarHBondContact N-OD2 3.44Å; L1794-D1796 HydrophobicContact CD2-CB 4.05Å; L1794-D1796 WeakPolarHBondContact CD2-OD1 3.25Å
1797	S	34	Very low	37.2	Very low	94 Å²	94	123 Å²	123	66%	0.657	72%	0.717	S	S	*	*			trans	13.8	149.6	134.7	-53.4	0	0	0	0	117.2	T1776 A1777 R1799	T1776-S1797 CarbonylContact C-O 3.56Å; T1776-S1797 WeakPolarHBondContact CA-O 3.21Å; T1776-S1797 PolarHBondContact N-O 2.74Å; A1777-S1797 PolarHBondContact N-O 2.65Å; S1797-R1799 PolarHBondContact O-N 2.7Å
1798	D	36.8	Very low	37.2	Very low	133.6 Å²	133.6	126.1 Å²	126.1	71%	0.714	71%	0.714	S	S	*	*				90.9	130.2	121.7	-97.8	-16.9	0	0	0	114.2	T1775	T1775-D1798 VanDerWaalsContact CG2-CA 3.47Å; T1775-D1798 HydrophobicContact CG2-CB 4.01Å; T1775-D1798 VanDerWaalsContact CG2-CG 3.43Å; T1775-D1798 WeakPolarHBondContact CG2-OD1 3.37Å
1799	R	36.5	Very low	37.3	Very low	176.8 Å²	176.8	122.7 Å²	122.7	67%	0.667	70%	0.702	S	S	*	*			trans	165.5	127	144.5	-92.6	163.3	-173.6	-141.3	-4.1	114.7	T1775 S1797	T1775-R1799 HydrophobicContact CG2-CG 4.43Å; S1797-R1799 PolarHBondContact O-N 2.7Å
1800	F	38.3	Very low	37.6	Very low	176.6 Å²	176.6	123 Å²	123	78%	0.775	70%	0.7	S	S	*	*			trans	79	119.7	155.1	-53.5	-65.8	0	0	0	113.7	M1772	M1772-F1800 WeakPolarHBondContact O-CD1 3.47Å; M1772-F1800 PolarHBondContact O-N 2.75Å
1801	S	34.8	Very low	38.1	Very low	110.4 Å²	110.4	125.2 Å²	125.2	77%	0.772	70%	0.697	S	S	*	*				92.9	138.6	62.6	-64.4	0	0	0	0	113.5
1802	A	33.2	Very low	38.7	Very low	102.2 Å²	102.2	121.9 Å²	121.9	85%	0.845	69%	0.693	S	S	*	*			trans	-35.4	130.3	175.7	0	0	0	0	0	115.2
1803	N	32.9	Very low	39.1	Very low	144.6 Å²	144.6	123.6 Å²	123.6	77%	0.773	70%	0.698	S	S	*	*				-160.2	129.7	126.2	-157.7	-2	0	0	0	112.9
1804	S	35.7	Very low	39.5	Very low	97.8 Å²	97.8	127.1 Å²	127.1	68%	0.684	70%	0.702	S	S	*	*			trans	136.7	106.9	153.2	-71.9	0	0	0	0	115.2	S1806	S1804-S1806 PolarHBondContact O-N 3.05Å
1805	K	38.2	Very low	39.7	Very low	167.8 Å²	167.8	129 Å²	129	73%	0.73	71%	0.707	S	S	*	*			trans	3.9	96	141.9	-137.2	175.7	-175.5	176.5	0	114.7	T1807 Q2224 P2225 T2226	K1805-T1807 WeakPolarHBondContact O-CG2 3.27Å; K1805-T1807 PolarHBondContact O-N 3.35Å; K1805-Q2224 HydrophobicContact CB-CG 4.01Å; K1805-Q2224 HydrophobicContact CD-CB 3.65Å; K1805-Q2224 HydrophobicContact CD-CG 3.71Å; K1805-Q2224 HydrophobicContact CG-CB 4.42Å; K1805-Q2224 HydrophobicContact CG-CG 3.95Å; K1805-Q2224 PolarHBondContact NZ-O 3.01Å; K1805-P2225 VanDerWaalsContact CD-C 3.49Å; K1805-P2225 VanDerWaalsContact CD-O 3.25Å; K1805-P2225 WeakPolarHBondContact CD-O 3.46Å; K1805-T2226 PolarHBondContact NZ-OG1 3.42Å
1806	S	39.1	Very low	39.7	Very low	107.2 Å²	107.2	128.4 Å²	128.4	75%	0.75	71%	0.712	S	S	*	*			trans	-129.7	109.1	139.4	-74.1	0	0	0	0	110.3	S1804	S1804-S1806 PolarHBondContact O-N 3.05Å
1807	T	42.3	Very low	39.9	Very low	119.8 Å²	119.8	131.6 Å²	131.6	74%	0.735	72%	0.723	S	S	*	*			trans	-76.2	131.6	172	47.1	0	0	0	0	109.9	K1805 S1809 E2227	K1805-T1807 WeakPolarHBondContact O-CG2 3.27Å; K1805-T1807 PolarHBondContact O-N 3.35Å; T1807-S1809 PolarHBondContact O-N 3.06Å; T1807-E2227 VanDerWaalsContact CB-CB 3.41Å; T1807-E2227 WeakPolarHBondContact CB-OE1 3.22Å; T1807-E2227 HydrophobicContact CG2-CB 3.56Å; T1807-E2227 HydrophobicContact CG2-CG 4.01Å; T1807-E2227 VanDerWaalsContact CG2-OE1 3.24Å; T1807-E2227 WeakPolarHBondContact CG2-OE1 3.2Å; T1807-E2227 VanDerWaalsContact OG1-CD 3.26Å; T1807-E2227 PolarHBondContact OG1-OE1 3.48Å; T1807-E2227 PolarHBondContact OG1-OE2 3.05Å
1808	I	40.4	Very low	40.5	Very low	140.6 Å²	140.6	134.3 Å²	134.3	72%	0.721	73%	0.73	S	S	*	*			trans	-78.4	114.8	169.1	-163.4	150.7	0	0	0	108.6	T1810 T2226 V2228 R2314	I1808-T1810 HydrophobicContact CG1-CG2 4.25Å; I1808-T1810 HydrophobicContact CG2-CG2 4.18Å; I1808-T1810 PolarHBondContact O-N 3.16Å; I1808-T2226 HydrophobicContact CB-CG2 3.98Å; I1808-T2226 HydrophobicContact CG2-CG2 3.44Å; I1808-T2226 VanDerWaalsContact CG2-CG2 3.44Å; I1808-V2228 HydrophobicContact CG2-CG2 3.69Å; I1808-R2314 VanDerWaalsContact CG1-NH1 3.32Å
1809	S	36.1	Very low	40.9	Very low	76.2 Å²	76.2	133.9 Å²	133.9	53%	0.533	73%	0.728	S	S	.	*			trans	-76.7	116.4	167	-165.2	0	0	0	0	108	T1807 E1811 R2314	T1807-S1809 PolarHBondContact O-N 3.06Å; S1809-E1811 VanDerWaalsContact C-N 3.29Å; S1809-E1811 PolarHBondContact O-N 3.22Å; S1809-R2314 WeakPolarHBondContact O-CD 3.18Å; S1809-R2314 PolarHBondContact O-NE 2.81Å; S1809-R2314 VanDerWaalsContact O-NE 3.13Å
1810	T	41.3	Very low	41.1	Very low	113.2 Å²	113.2	134.4 Å²	134.4	69%	0.694	74%	0.738	S	S	*	*			trans	-110.6	92	150.1	52.9	0	0	0	0	110	I1808 V2228	I1808-T1810 HydrophobicContact CG1-CG2 4.25Å; I1808-T1810 HydrophobicContact CG2-CG2 4.18Å; I1808-T1810 PolarHBondContact O-N 3.16Å; T1810-V2228 HydrophobicContact CG2-CG1 4.41Å; T1810-V2228 HydrophobicContact CG2-CG2 3.59Å
1811	E	46.8	Very low	41.3	Very low	120.4 Å²	120.4	131.7 Å²	131.7	56%	0.563	73%	0.731	S	S	*	*			trans	-71.3	150.1	162.6	-145	169.9	-159.4	0	0	108.6	S1809 M1813 Q2312 R2313 R2314	S1809-E1811 VanDerWaalsContact C-N 3.29Å; S1809-E1811 PolarHBondContact O-N 3.22Å; E1811-M1813 PolarHBondContact O-N 3.08Å; E1811-Q2312 CarbonylContact C-O 3.39Å; E1811-Q2312 WeakPolarHBondContact CA-O 2.89Å; E1811-Q2312 WeakPolarHBondContact CB-O 2.98Å; E1811-Q2312 VanDerWaalsContact CD-O 3.29Å; E1811-Q2312 WeakPolarHBondContact CG-O 3.44Å; E1811-Q2312 WeakPolarHBondContact OE1-CB 3.46Å; E1811-Q2312 PolarHBondContact OE1-N 3.21Å; E1811-R2313 CarbonylContact C-O 3.09Å; E1811-R2313 WeakPolarHBondContact CA-O 3.28Å; E1811-R2313 HydrophobicContact CB-CB 4.39Å; E1811-R2313 VanDerWaalsContact CB-O 3.24Å; E1811-R2313 WeakPolarHBondContact CB-O 3Å; E1811-R2313 PolarHBondContact N-O 3.32Å; E1811-R2313 CarbonylContact O-C 2.9Å; E1811-R2314 PolarHBondContact O-N 2.94Å
1812	P	53.4	Low	41.7	Very low	99.6 Å²	99.6	133 Å²	133	65%	0.647	73%	0.729	S	S	*	*			trans	-73.6	133.6	178.8	21.7	-22.8	0	0	0	111.1	E1814 Q2312 R2313	P1812-E1814 PolarHBondContact O-N 3.13Å; P1812-E1814 VanDerWaalsContact O-N 3.13Å; P1812-Q2312 CarbonylContact C-O 3.35Å; P1812-Q2312 VanDerWaalsContact CD-O 3.26Å; P1812-Q2312 WeakPolarHBondContact CD-O 3.27Å; P1812-Q2312 CarbonylContact O-C 3.55Å; P1812-R2313 PolarHBondContact O-N 3.44Å
1813	M	44.6	Very low	42.3	Very low	161.6 Å²	161.6	135.7 Å²	135.7	80%	0.796	73%	0.73	S	S	*	*			trans	-81	113	161.8	-122	167.4	63.5	0	0	109.2	E1811 Q1815	E1811-M1813 PolarHBondContact O-N 3.08Å; M1813-Q1815 HydrophobicContact CE-CG 3.73Å; M1813-Q1815 PolarHBondContact O-N 3.13Å; M1813-Q1815 VanDerWaalsContact O-N 3.13Å
1814	E	47.9	Very low	42.8	Very low	149.6 Å²	149.6	136 Å²	136	70%	0.699	73%	0.731	S	S	*	*			trans	-42.2	113.9	161.2	-67.3	177.7	-177.5	0	0	110.4	P1812 C1816	P1812-E1814 PolarHBondContact O-N 3.13Å; P1812-E1814 VanDerWaalsContact O-N 3.13Å; E1814-C1816 PolarHBondContact O-N 3.03Å; E1814-C1816 VanDerWaalsContact O-N 3.13Å
1815	Q	42.7	Very low	43.2	Very low	179 Å²	179	139 Å²	139	84%	0.836	74%	0.74	S	S	*	*			trans	-85.9	123.7	164.2	-68.5	-167.4	-80.8	0	0	107.7	M1813 E1817	M1813-Q1815 HydrophobicContact CE-CG 3.73Å; M1813-Q1815 PolarHBondContact O-N 3.13Å; M1813-Q1815 VanDerWaalsContact O-N 3.13Å; Q1815-E1817 PolarHBondContact O-N 3.13Å
1816	C	42.9	Very low	43.5	Very low	113.8 Å²	113.8	134.8 Å²	134.8	77%	0.769	74%	0.736	S	S	*	*			trans	-63.2	135.8	-178.5	-54.7	0	0	0	0	110.6	E1814 L1818	E1814-C1816 PolarHBondContact O-N 3.03Å; E1814-C1816 VanDerWaalsContact O-N 3.13Å; C1816-L1818 HydrophobicContact CB-CG 4.15Å; C1816-L1818 PolarHBondContact O-N 2.89Å
1817	E	40.1	Very low	43.6	Very low	178.2 Å²	178.2	137.1 Å²	137.1	83%	0.833	74%	0.74	S	S	*	*			trans	-56.8	130.9	153.7	-67.6	159.6	163.6	0	0	107.7	Q1815 D1819	Q1815-E1817 PolarHBondContact O-N 3.13Å; E1817-D1819 PolarHBondContact O-N 3.09Å
1818	L	46.4	Very low	43.4	Very low	152.2 Å²	152.2	136.3 Å²	136.3	80%	0.797	74%	0.739	S	S	*	*			trans	-102.5	113	170.7	-85	169.2	0	0	0	107.9	C1816 E1820	C1816-L1818 HydrophobicContact CB-CG 4.15Å; C1816-L1818 PolarHBondContact O-N 2.89Å; L1818-E1820 PolarHBondContact O-N 3.23Å
1819	D	44.7	Very low	43.3	Very low	124.2 Å²	124.2	134.8 Å²	134.8	66%	0.664	74%	0.739	S	S	*	*			trans	-21.1	102.4	159.5	-54.4	-48.3	0	0	0	112.1	E1817 D1821 R2567 S2568	E1817-D1819 PolarHBondContact O-N 3.09Å; D1819-D1821 PolarHBondContact O-N 3.25Å; D1819-R2567 HydrophobicContact CB-CB 4.45Å; D1819-S2568 VanDerWaalsContact C-OG 3.28Å; D1819-S2568 WeakPolarHBondContact CB-OG 3.12Å; D1819-S2568 PolarHBondContact O-OG 2.55Å; D1819-S2568 VanDerWaalsContact O-OG 3.09Å
1820	E	42.2	Very low	43.2	Very low	187.2 Å²	187.2	136.1 Å²	136.1	88%	0.875	75%	0.747	S	S	*	*			trans	-86.5	93.9	158.8	-64.6	-178.2	159	0	0	108.1	L1818 D1822 R2567 S2568	L1818-E1820 PolarHBondContact O-N 3.23Å; E1820-D1822 PolarHBondContact O-N 3.06Å; E1820-R2567 WeakPolarHBondContact O-CG 3.49Å; E1820-R2567 VanDerWaalsContact O-CZ 3.24Å; E1820-R2567 PolarHBondContact O-NE 3.05Å; E1820-R2567 PolarHBondContact O-NH2 3.08Å; E1820-S2568 PolarHBondContact O-OG 3.42Å
1821	D	42.6	Very low	43.2	Very low	119.8 Å²	119.8	138.6 Å²	138.6	64%	0.641	76%	0.755	S	S	*	*			trans	-120.4	145.1	165.4	-95.1	-35.1	0	0	0	108.2	D1819 R2567 S2568	D1819-D1821 PolarHBondContact O-N 3.25Å; D1821-R2567 HydrophobicContact CB-CB 4.25Å; D1821-R2567 WeakPolarHBondContact OD1-CB 3.39Å; D1821-R2567 VanDerWaalsContact OD1-CD 3.31Å; D1821-R2567 WeakPolarHBondContact OD1-CD 3.35Å; D1821-R2567 IonicContact OD1-CZ 3.25Å; D1821-R2567 IonicContact OD1-NE 3.34Å; D1821-R2567 PolarHBondContact OD1-NE 3Å; D1821-R2567 VanDerWaalsContact OD1-NE 3.14Å; D1821-R2567 IonicContact OD1-NH1 3.9Å; D1821-R2567 PolarHBondContact OD1-NH1 3.18Å; D1821-R2567 IonicContact OD1-NH2 3.03Å; D1821-R2567 WeakPolarHBondContact OD2-CB 3.28Å; D1821-S2568 WeakPolarHBondContact CB-OG 3.42Å; D1821-S2568 PolarHBondContact N-OG 2.99Å; D1821-S2568 VanDerWaalsContact N-OG 3.09Å; D1821-S2568 PolarHBondContact OD2-N 2.87Å
1822	D	42.5	Very low	42.7	Very low	137.2 Å²	137.2	140 Å²	140	73%	0.734	76%	0.76	S	S	*	*			trans	15.1	126.1	165	-56.8	-30.9	0	0	0	115.5	E1820 R2567	E1820-D1822 PolarHBondContact O-N 3.06Å; D1822-R2567 IonicContact OD1-CZ 2.66Å; D1822-R2567 VanDerWaalsContact OD1-CZ 3.28Å; D1822-R2567 IonicContact OD1-NH1 3.43Å; D1822-R2567 PolarHBondContact OD1-NH1 3.28Å; D1822-R2567 VanDerWaalsContact OD1-NH1 3.09Å; D1822-R2567 IonicContact OD1-NH2 2.66Å; D1822-R2567 PolarHBondContact OD1-NH2 3.13Å; D1822-R2567 IonicContact OD2-CZ 3.34Å; D1822-R2567 IonicContact OD2-NH1 2.66Å; D1822-R2567 PolarHBondContact OD2-NH1 3.35Å; D1822-R2567 IonicContact OD2-NH2 3.84Å
1823	D	46.3	Very low	41.9	Very low	160 Å²	160	144 Å²	144	86%	0.856	77%	0.767	S	S	*	*				-155.5	127.1	98.4	-96.3	-33.6	0	0	0	110.5	D1825	D1823-D1825 PolarHBondContact O-N 3.29Å
1824	D	42.4	Very low	41.6	Very low	150.6 Å²	150.6	141 Å²	141	81%	0.805	76%	0.758	S	S	*	*			trans	-79.5	128.8	152.4	-82.4	-54.6	0	0	0	114.3	A1826 S2310	D1824-A1826 PolarHBondContact O-N 3.11Å; D1824-S2310 PolarHBondContact OD2-OG 3.31Å
1825	D	44.1	Very low	41.2	Very low	160.8 Å²	160.8	140.6 Å²	140.6	86%	0.86	76%	0.761	S	S	*	*			trans	-136.1	104.8	158	-134.7	-15.1	0	0	0	115.4	D1823 N1827	D1823-D1825 PolarHBondContact O-N 3.29Å; D1825-N1827 PolarHBondContact O-N 3.08Å
1826	A	44.3	Very low	41	Very low	79.2 Å²	79.2	135.1 Å²	135.1	66%	0.655	75%	0.752	S	S	*	*			trans	-98.7	104.4	171.8	0	0	0	0	0	115.1	D1824 S1828	D1824-A1826 PolarHBondContact O-N 3.11Å; A1826-S1828 PolarHBondContact O-N 2.96Å
1827	N	42.3	Very low	40.9	Very low	156.8 Å²	156.8	137.1 Å²	137.1	84%	0.839	75%	0.75	S	S	*	*			trans	-146	106	147.3	-110.6	-48.9	0	0	0	115	D1825	D1825-N1827 PolarHBondContact O-N 3.08Å
1828	S	38.1	Very low	41.2	Very low	101.4 Å²	101.4	135.2 Å²	135.2	71%	0.709	75%	0.746	S	S	*	*			trans	-159.3	134.2	164	-69.8	0	0	0	0	115	A1826	A1826-S1828 PolarHBondContact O-N 2.96Å
1829	P	38.5	Very low	41	Very low	109.8 Å²	109.8	134.8 Å²	134.8	71%	0.713	74%	0.744	S	S	*	*			trans	-119.9	126.4	-176.6	35.4	-24.4	0	0	0	114.8
1830	C	33.1	Very low	41	Very low	104.4 Å²	104.4	135.6 Å²	135.6	71%	0.705	75%	0.749	S	S	*	*			trans	25.1	132.3	143.1	-150.2	0	0	0	0	114.9	K1832	C1830-K1832 VanDerWaalsContact C-N 3.28Å; C1830-K1832 WeakPolarHBondContact O-CB 3.36Å; C1830-K1832 VanDerWaalsContact O-CG 3.24Å; C1830-K1832 WeakPolarHBondContact O-CG 3.21Å; C1830-K1832 PolarHBondContact O-N 3.05Å; C1830-K1832 WeakPolarHBondContact SG-CB 3.28Å; C1830-K1832 PolarHBondContact SG-N 3.19Å; C1830-K1832 VanDerWaalsContact SG-N 3.45Å
1831	L	41.3	Very low	41.4	Very low	164.6 Å²	164.6	133.7 Å²	133.7	86%	0.862	74%	0.739	S	S	*	*			trans	-72.3	114.1	145.9	-67.9	175.3	0	0	0	109.8	F1833	L1831-F1833 HydrophobicContact CB-CD2 4.35Å; L1831-F1833 HydrophobicContact CB-CE2 4.39Å; L1831-F1833 HydrophobicContact CD1-CE2 3.83Å; L1831-F1833 HydrophobicContact CD1-CZ 4.46Å
1832	K	36.5	Very low	41.8	Very low	151 Å²	151	137.8 Å²	137.8	66%	0.657	75%	0.746	S	S	*	*				83.3	106.9	90	-163.3	157.5	179.2	-176	0	111.6	C1830 T1834 D1835	C1830-K1832 VanDerWaalsContact C-N 3.28Å; C1830-K1832 WeakPolarHBondContact O-CB 3.36Å; C1830-K1832 VanDerWaalsContact O-CG 3.24Å; C1830-K1832 WeakPolarHBondContact O-CG 3.21Å; C1830-K1832 PolarHBondContact O-N 3.05Å; C1830-K1832 WeakPolarHBondContact SG-CB 3.28Å; C1830-K1832 PolarHBondContact SG-N 3.19Å; C1830-K1832 VanDerWaalsContact SG-N 3.45Å; K1832-T1834 WeakPolarHBondContact CE-OG1 3.39Å; K1832-T1834 HydrophobicContact CG-CG2 4.33Å; K1832-T1834 PolarHBondContact NZ-OG1 3.13Å; K1832-D1835 IonicContact NZ-OD2 3.12Å
1833	F	35.7	Very low	41.8	Very low	182 Å²	182	138 Å²	138	80%	0.798	74%	0.742	S	S	*	*			trans	-89.3	137	135.8	-64.8	-88	0	0	0	111	L1831	L1831-F1833 HydrophobicContact CB-CD2 4.35Å; L1831-F1833 HydrophobicContact CB-CE2 4.39Å; L1831-F1833 HydrophobicContact CD1-CE2 3.83Å; L1831-F1833 HydrophobicContact CD1-CZ 4.46Å
1834	T	39.2	Very low	41.4	Very low	100.2 Å²	100.2	135.2 Å²	135.2	62%	0.615	74%	0.735	S	S	*	*			trans	-176.8	125.9	132	47.4	0	0	0	0	109.8	K1832	K1832-T1834 WeakPolarHBondContact CE-OG1 3.39Å; K1832-T1834 HydrophobicContact CG-CG2 4.33Å; K1832-T1834 PolarHBondContact NZ-OG1 3.13Å
1835	D	39.5	Very low	41	Very low	141.2 Å²	141.2	131.2 Å²	131.2	76%	0.755	73%	0.729	S	S	*	*				76.4	143.9	104.4	-64.5	-18.5	0	0	0	113.4	K1832	K1832-D1835 IonicContact NZ-OD2 3.12Å
1836	G	39	Very low	40.5	Very low	63.2 Å²	63.2	131.4 Å²	131.4	65%	0.652	73%	0.729	S	S	*	*			trans	117.6	91.7	-167	0	0	0	0	0	111
1837	E	39.7	Very low	40	Very low	155.2 Å²	155.2	131.9 Å²	131.9	73%	0.725	73%	0.733	S	S	*	*				30.9	154.7	125.3	-59.5	168.9	-178.2	0	0	113.1	K2336	E1837-K2336 IonicContact OE1-NZ 3.71Å; E1837-K2336 PolarHBondContact OE1-NZ 3.47Å; E1837-K2336 VanDerWaalsContact OE2-CD 3.29Å; E1837-K2336 WeakPolarHBondContact OE2-CD 3.44Å; E1837-K2336 IonicContact OE2-NZ 3.44Å; E1837-K2336 PolarHBondContact OE2-NZ 2.87Å
1838	D	46.3	Very low	39.6	Very low	139.2 Å²	139.2	129.6 Å²	129.6	74%	0.744	73%	0.729	S	S	*	*			trans	80.9	137.5	164.5	-62.8	-19.2	0	0	0	116.7
1839	D	43.4	Very low	39.4	Very low	143 Å²	143	130.4 Å²	130.4	77%	0.765	74%	0.735	S	S	*	*			trans	-169.2	114.9	138.1	-111.5	-9.5	0	0	0	111.8	E1841	D1839-E1841 VanDerWaalsContact C-N 3.31Å; D1839-E1841 PolarHBondContact O-N 2.94Å
1840	D	44.5	Very low	39.3	Very low	141.8 Å²	141.8	129.6 Å²	129.6	76%	0.758	73%	0.732	S	S	*	*			trans	-19.3	86.2	153.3	-81.8	-31.3	0	0	0	117.9	W1842	D1840-W1842 PolarHBondContact O-N 2.71Å
1841	E	50.7	Low	39.7	Very low	145.4 Å²	145.4	130.1 Å²	130.1	68%	0.679	73%	0.734	S	S	*	*			trans	176	98.7	140.3	-159.1	159.9	-146.9	0	0	115.1	H1455 H1456 D1839 H1843 S1844	H1455-E1841 PolarHBondContact N-OE1 2.84Å; H1456-E1841 WeakPolarHBondContact O-CB 3.16Å; D1839-E1841 VanDerWaalsContact C-N 3.31Å; D1839-E1841 PolarHBondContact O-N 2.94Å; E1841-H1843 IonicContact OE1-CD2 2.63Å; E1841-H1843 PolarHBondContact OE1-CD2 2.8Å; E1841-S1844 WeakPolarHBondContact OE1-CB 3.39Å; E1841-S1844 PolarHBondContact OE1-OG 3.44Å
1842	W	50.6	Low	39.5	Very low	206 Å²	206	128.5 Å²	128.5	78%	0.78	73%	0.726	S	S	*	*			trans	-146.7	47	132.9	23.3	-63.6	0	0	0	112.6	H1456 L1457 D1840 S1844	H1456-W1842 VanDerWaalsContact C-CB 3.49Å; H1456-W1842 VanDerWaalsContact C-CE3 3.4Å; H1456-W1842 HydrophobicContact CB-CD2 3.46Å; H1456-W1842 VanDerWaalsContact CB-CD2 3.46Å; H1456-W1842 HydrophobicContact CB-CE3 3.83Å; H1456-W1842 HydrophobicContact CB-CG 4.49Å; H1456-W1842 HydrophobicContact CB-CH2 3.86Å; H1456-W1842 HydrophobicContact CB-CZ2 3.58Å; H1456-W1842 HydrophobicContact CB-CZ3 3.97Å; H1456-W1842 AromaticContact ND1-CE3 3.94Å; H1456-W1842 AromaticContact ND1-CZ3 3.68Å; H1456-W1842 PolarHBondContact O-NE1 3.17Å; L1457-W1842 HydrophobicContact CB-CD2 4.22Å; L1457-W1842 HydrophobicContact CB-CG 4.26Å; L1457-W1842 HydrophobicContact CD2-CZ2 4.08Å; L1457-W1842 VanDerWaalsContact N-CE3 3.31Å; L1457-W1842 WeakPolarHBondContact O-CB 3.19Å; L1457-W1842 VanDerWaalsContact O-CE3 3.27Å; D1840-W1842 PolarHBondContact O-N 2.71Å; W1842-S1844 VanDerWaalsContact C-N 3.26Å; W1842-S1844 PolarHBondContact O-N 2.96Å
1843	H	42.6	Very low	39.7	Very low	142.4 Å²	142.4	127 Å²	127	66%	0.659	73%	0.732	S	S	*	*			trans	-95.4	75.6	168.2	-75.2	-27.7	0	0	0	114.9	H1455 H1456 E1841 G1845 I1846	H1455-H1843 AromaticContact CD2-CE1 3.86Å; H1455-H1843 AromaticContact CD2-ND1 3.42Å; H1455-H1843 PolarHBondContact CD2-ND1 2.7Å; H1455-H1843 AromaticContact CE1-CE1 3.45Å; H1455-H1843 PolarHBondContact CE1-CE1 2.89Å; H1455-H1843 VanDerWaalsContact CE1-CE1 3.45Å; H1455-H1843 AromaticContact CE1-ND1 3.66Å; H1455-H1843 AromaticContact CG-CE1 3.62Å; H1455-H1843 AromaticContact CG-ND1 3.6Å; H1455-H1843 AromaticContact ND1-CE1 3.37Å; H1455-H1843 PolarHBondContact ND1-CE1 2.69Å; H1455-H1843 AromaticContact ND1-ND1 3.76Å; H1455-H1843 AromaticContact NE2-CE1 3.77Å; H1455-H1843 AromaticContact NE2-ND1 3.48Å; H1455-H1843 PolarHBondContact NE2-ND1 2.76Å; H1456-H1843 WeakPolarHBondContact CA-NE2 3.46Å; H1456-H1843 AromaticContact CD2-CE1 3.81Å; H1456-H1843 AromaticContact CE1-CE1 3.75Å; H1456-H1843 AromaticContact CE1-NE2 3.9Å; H1456-H1843 AromaticContact CG-CE1 3.55Å; H1456-H1843 AromaticContact CG-NE2 3.71Å; H1456-H1843 PolarHBondContact N-CE1 2.82Å; H1456-H1843 PolarHBondContact N-ND1 3.25Å; H1456-H1843 PolarHBondContact N-NE2 2.7Å; H1456-H1843 AromaticContact ND1-CE1 3.53Å; H1456-H1843 AromaticContact ND1-NE2 3.39Å; H1456-H1843 PolarHBondContact ND1-NE2 2.58Å; H1456-H1843 AromaticContact NE2-CE1 3.91Å; E1841-H1843 IonicContact OE1-CD2 2.63Å; E1841-H1843 PolarHBondContact OE1-CD2 2.8Å; H1843-G1845 PolarHBondContact O-N 3.35Å; H1843-I1846 PolarHBondContact O-N 3.27Å
1844	S	37.5	Very low	40	Very low	101.2 Å²	101.2	123.8 Å²	123.8	71%	0.708	73%	0.727	S	S	*	*			trans	-158.8	126.2	158.9	-83.8	0	0	0	0	109.8	N1454 H1455 E1841 W1842	N1454-S1844 WeakPolarHBondContact ND2-CA 3.27Å; N1454-S1844 PolarHBondContact ND2-N 3.38Å; H1455-S1844 PolarHBondContact CD2-OG 3.2Å; H1455-S1844 PolarHBondContact NE2-OG 2.72Å; H1455-S1844 VanDerWaalsContact NE2-OG 3.15Å; E1841-S1844 WeakPolarHBondContact OE1-CB 3.39Å; E1841-S1844 PolarHBondContact OE1-OG 3.44Å; W1842-S1844 VanDerWaalsContact C-N 3.26Å; W1842-S1844 PolarHBondContact O-N 2.96Å
1845	G	33.3	Very low	40	Very low	65.4 Å²	65.4	125.8 Å²	125.8	67%	0.674	73%	0.729	S	S	*	*			trans	159.7	81.4	154	0	0	0	0	0	114.4	H1843 A1847	H1843-G1845 PolarHBondContact O-N 3.35Å; G1845-A1847 PolarHBondContact O-N 2.8Å
1846	I	35.2	Very low	40.4	Very low	165.6 Å²	165.6	126.4 Å²	126.4	85%	0.849	73%	0.731	S	S	*	*			trans	-53.5	118.4	161	56.5	167.5	0	0	0	116.4	H1843	H1843-I1846 PolarHBondContact O-N 3.27Å
1847	A	32.6	Very low	40.5	Very low	89.4 Å²	89.4	129.9 Å²	129.9	74%	0.739	73%	0.73	S	S	*	*			trans	69.1	130.3	135.8	0	0	0	0	0	116.6	G1845	G1845-A1847 PolarHBondContact O-N 2.8Å
1848	S	33.5	Very low	40.7	Very low	109.6 Å²	109.6	130.6 Å²	130.6	77%	0.766	73%	0.732	S	S	*	*			trans	80	112	150.5	63.2	0	0	0	0	115.7	S1850	S1848-S1850 PolarHBondContact O-N 2.82Å
1849	S	35.8	Very low	40.7	Very low	118.4 Å²	118.4	130.9 Å²	130.9	83%	0.828	73%	0.733	S	S	*	*				-137.1	128	83.4	47.2	0	0	0	0	110.5
1850	S	34.7	Very low	41	Very low	93 Å²	93	131.4 Å²	131.4	65%	0.65	74%	0.736	S	S	*	*			trans	-75.6	146.4	161.2	-161.5	0	0	0	0	111.4	S1848 N1852	S1848-S1850 PolarHBondContact O-N 2.82Å; S1850-N1852 PolarHBondContact O-N 3.03Å; S1850-N1852 PolarHBondContact OG-N 3.04Å
1851	P	41.4	Very low	40.9	Very low	115 Å²	115	127.6 Å²	127.6	75%	0.747	73%	0.73	S	S	*	*				-120.5	123.6	129.5	35.2	-26.3	0	0	0	112.8
1852	N	36.8	Very low	40.8	Very low	130.8 Å²	130.8	127.6 Å²	127.6	70%	0.699	74%	0.735	S	S	*	*			trans	72.4	118.2	158	-104.4	12.3	0	0	0	116.2	S1850 V1854	S1850-N1852 PolarHBondContact O-N 3.03Å; S1850-N1852 PolarHBondContact OG-N 3.04Å; N1852-V1854 HydrophobicContact CB-CB 4.31Å; N1852-V1854 HydrophobicContact CB-CG2 3.7Å; N1852-V1854 VanDerWaalsContact CG-CG2 3.42Å; N1852-V1854 WeakPolarHBondContact ND2-CG2 3.16Å; N1852-V1854 PolarHBondContact O-N 3.08Å
1853	P	41.4	Very low	40.9	Very low	119.8 Å²	119.8	123.9 Å²	123.9	78%	0.778	73%	0.731	S	S	*	*			trans	-91	125.7	158.6	32.5	-28.6	0	0	0	110.5	H1855	P1853-H1855 PolarHBondContact O-N 3.08Å; P1853-H1855 VanDerWaalsContact O-N 3.13Å
1854	V	42.5	Very low	41.2	Very low	114.2 Å²	114.2	123.3 Å²	123.3	69%	0.692	73%	0.732	S	S	*	*			trans	-97.8	118.6	172.7	177.6	0	0	0	0	110.6	N1852	N1852-V1854 HydrophobicContact CB-CB 4.31Å; N1852-V1854 HydrophobicContact CB-CG2 3.7Å; N1852-V1854 VanDerWaalsContact CG-CG2 3.42Å; N1852-V1854 WeakPolarHBondContact ND2-CG2 3.16Å; N1852-V1854 PolarHBondContact O-N 3.08Å
1855	H	39.3	Very low	41.9	Very low	141.6 Å²	141.6	125.1 Å²	125.1	66%	0.656	73%	0.734	S	S	*	*			trans	27.2	99.9	160.9	-116.9	-91.8	0	0	0	115.6	P1853 E1857	P1853-H1855 PolarHBondContact O-N 3.08Å; P1853-H1855 VanDerWaalsContact O-N 3.13Å; H1855-E1857 HydrophobicContact CB-CG 4.32Å; H1855-E1857 VanDerWaalsContact CE1-CD 3.42Å; H1855-E1857 IonicContact CE1-OE1 3.25Å; H1855-E1857 PolarHBondContact CE1-OE1 3.15Å; H1855-E1857 IonicContact CE1-OE2 3.07Å; H1855-E1857 PolarHBondContact CE1-OE2 3.08Å; H1855-E1857 IonicContact CG-OE1 3.25Å; H1855-E1857 VanDerWaalsContact ND1-CD 3.33Å; H1855-E1857 WeakPolarHBondContact ND1-CG 2.93Å; H1855-E1857 IonicContact ND1-OE1 3.55Å; H1855-E1857 PolarHBondContact ND1-OE1 3.27Å; H1855-E1857 IonicContact ND1-OE2 3.43Å; H1855-E1857 PolarHBondContact ND1-OE2 3.21Å; H1855-E1857 VanDerWaalsContact ND1-OE2 3.12Å; H1855-E1857 IonicContact NE2-OE1 3.96Å; H1855-E1857 PolarHBondContact O-N 3.36Å
1856	L	48.3	Very low	42.8	Very low	153.2 Å²	153.2	128.4 Å²	128.4	80%	0.802	74%	0.736	S	S	*	*			trans	-116.6	99.1	145.2	-108.2	148.5	0	0	0	108.6	F1858	L1856-F1858 HydrophobicContact CB-CD2 4.45Å; L1856-F1858 HydrophobicContact CD2-CD2 4.19Å; L1856-F1858 HydrophobicContact CD2-CE2 3.95Å; L1856-F1858 VanDerWaalsContact CD2-CE2 3.47Å; L1856-F1858 HydrophobicContact CG-CE2 4.39Å; L1856-F1858 PolarHBondContact O-N 2.87Å; L1856-F1858 VanDerWaalsContact O-N 3.15Å
1857	E	39.4	Very low	43.6	Very low	137 Å²	137	127.3 Å²	127.3	64%	0.64	73%	0.732	S	S	*	*			trans	-94.1	118.8	179.6	-68.7	161	-168.7	0	0	110.1	H1855	H1855-E1857 HydrophobicContact CB-CG 4.32Å; H1855-E1857 VanDerWaalsContact CE1-CD 3.42Å; H1855-E1857 IonicContact CE1-OE1 3.25Å; H1855-E1857 PolarHBondContact CE1-OE1 3.15Å; H1855-E1857 IonicContact CE1-OE2 3.07Å; H1855-E1857 PolarHBondContact CE1-OE2 3.08Å; H1855-E1857 IonicContact CG-OE1 3.25Å; H1855-E1857 VanDerWaalsContact ND1-CD 3.33Å; H1855-E1857 WeakPolarHBondContact ND1-CG 2.93Å; H1855-E1857 IonicContact ND1-OE1 3.55Å; H1855-E1857 PolarHBondContact ND1-OE1 3.27Å; H1855-E1857 IonicContact ND1-OE2 3.43Å; H1855-E1857 PolarHBondContact ND1-OE2 3.21Å; H1855-E1857 VanDerWaalsContact ND1-OE2 3.12Å; H1855-E1857 IonicContact NE2-OE1 3.96Å; H1855-E1857 PolarHBondContact O-N 3.36Å
1858	F	43.9	Very low	44.5	Very low	170.6 Å²	170.6	129.6 Å²	129.6	75%	0.748	73%	0.731	S	S	*	*			trans	-153.4	107.2	160.6	-62	-70.2	0	0	0	111.3	L1856 D1860	L1856-F1858 HydrophobicContact CB-CD2 4.45Å; L1856-F1858 HydrophobicContact CD2-CD2 4.19Å; L1856-F1858 HydrophobicContact CD2-CE2 3.95Å; L1856-F1858 VanDerWaalsContact CD2-CE2 3.47Å; L1856-F1858 HydrophobicContact CG-CE2 4.39Å; L1856-F1858 PolarHBondContact O-N 2.87Å; L1856-F1858 VanDerWaalsContact O-N 3.15Å; F1858-D1860 PolarHBondContact O-N 2.98Å
1859	D	47.9	Very low	45.3	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	74%	0.737	S	S	*	*				-176.2	117	101.5	-142.3	14.6	0	0	0	112.1	G1861	D1859-G1861 VanDerWaalsContact C-N 3.27Å; D1859-G1861 PolarHBondContact O-N 3.45Å
1860	D	48.1	Very low	45.7	Very low	152.6 Å²	152.6	131.1 Å²	131.1	82%	0.816	73%	0.732	S	S	*	*			trans	-132.3	125.3	164.5	-73.8	-30.7	0	0	0	112.4	F1858 D1862	F1858-D1860 PolarHBondContact O-N 2.98Å; D1860-D1862 VanDerWaalsContact C-N 3.25Å; D1860-D1862 PolarHBondContact O-N 3.38Å
1861	G	44.3	Very low	46.1	Very low	62 Å²	62	132.9 Å²	132.9	64%	0.639	74%	0.744	S	S	*	*			trans	159.3	50.7	160	0	0	0	0	0	117.4	D1859 D1863	D1859-G1861 VanDerWaalsContact C-N 3.27Å; D1859-G1861 PolarHBondContact O-N 3.45Å; G1861-D1863 PolarHBondContact O-N 3.21Å
1862	D	48	Very low	46	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	74%	0.744	S	S	*	*			trans	40.3	108.9	139.1	-60.1	-20	0	0	0	114.3	D1860 D1864	D1860-D1862 VanDerWaalsContact C-N 3.25Å; D1860-D1862 PolarHBondContact O-N 3.38Å; D1862-D1864 PolarHBondContact O-N 3.27Å
1863	D	52.4	Low	46.2	Very low	128.8 Å²	128.8	136 Å²	136	69%	0.689	75%	0.748	S	S	*	*				115.5	144.1	100.7	-73	-19	0	0	0	115.5	G1861 D1865	G1861-D1863 PolarHBondContact O-N 3.21Å; D1863-D1865 PolarHBondContact O-N 2.99Å
1864	D	49.3	Very low	46.3	Very low	129.8 Å²	129.8	137 Å²	137	69%	0.694	75%	0.746	S	S	*	*			trans	10.6	129.7	173.2	-75.2	-22.1	0	0	0	117.9	D1862	D1862-D1864 PolarHBondContact O-N 3.27Å
1865	D	52.4	Low	46.1	Very low	137.8 Å²	137.8	137.9 Å²	137.9	74%	0.737	75%	0.747	S	S	*	*				-169.8	145.3	85.9	-83.6	-36.7	0	0	0	111.4	D1863	D1863-D1865 PolarHBondContact O-N 2.99Å
1866	D	51.2	Low	46.1	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	75%	0.747	S	S	*	*			trans	53.3	134.7	157.2	-80.6	-20.2	0	0	0	116
1867	D	53.3	Low	45.6	Very low	140.8 Å²	140.8	137.5 Å²	137.5	75%	0.753	75%	0.749	S	S	*	*				139.7	148.9	85.1	-92.5	-24.5	0	0	0	113.1	K1893	D1867-K1893 IonicContact OD1-NZ 3Å; D1867-K1893 PolarHBondContact OD1-NZ 2.82Å
1868	D	50.6	Low	45.7	Very low	137.8 Å²	137.8	135.9 Å²	135.9	74%	0.737	75%	0.75	S	S	*	*				170.9	129.6	117.6	-91.2	-32.4	0	0	0	115.7	K1893	D1868-K1893 PolarHBondContact O-NZ 3.16Å; D1868-K1893 VanDerWaalsContact O-NZ 3.15Å
1869	E	50.7	Low	45.5	Very low	189.4 Å²	189.4	136.2 Å²	136.2	89%	0.885	75%	0.754	S	S	*	*			trans	46.9	106	141.9	-70.5	-173.1	161.5	0	0	120.3
1870	G	44.6	Very low	45	Very low	70.8 Å²	70.8	134.5 Å²	134.5	73%	0.73	75%	0.751	S	S	*	*				142.3	164.2	79.6	0	0	0	0	0	116.4
1871	C	41.9	Very low	44.5	Very low	131 Å²	131	134.1 Å²	134.1	89%	0.885	75%	0.748	S	S	*	*			trans	114.8	131.6	155	-76.8	0	0	0	0	116.5
1872	E	39.6	Very low	44.1	Very low	163.6 Å²	163.6	136.7 Å²	136.7	76%	0.764	75%	0.752	S	S	*	*			trans	-81.2	160.2	157.7	-54.2	177.7	179.1	0	0	113.5	S1035 P1036	S1035-E1872 WeakPolarHBondContact CB-OE1 3.11Å; S1035-E1872 PolarHBondContact OG-OE1 2.93Å; P1036-E1872 HydrophobicContact CG-CB 3.92Å; P1036-E1872 HydrophobicContact CG-CG 4.16Å; P1036-E1872 VanDerWaalsContact CG-N 3.32Å
1873	L	40.4	Very low	43.5	Very low	146.6 Å²	146.6	135.7 Å²	135.7	77%	0.768	75%	0.751	S	S	*	*				170.8	120.4	126.2	-150.4	74.1	0	0	0	115.2
1874	L	43.3	Very low	42.7	Very low	142.4 Å²	142.4	135 Å²	135	75%	0.746	75%	0.752	S	S	*	*			trans	46.2	131.4	144.1	-61.1	174	0	0	0	120.5
1875	D	39.9	Very low	41.9	Very low	131.2 Å²	131.2	137.8 Å²	137.8	70%	0.702	75%	0.754	S	S	*	*				92.4	131.5	125.1	-94.4	-42.7	0	0	0	117.6	T1038 S1039	T1038-D1875 VanDerWaalsContact CA-O 3.22Å; T1038-D1875 WeakPolarHBondContact CA-O 3.18Å; T1038-D1875 WeakPolarHBondContact CB-O 2.95Å; T1038-D1875 HydrophobicContact CG2-CB 3.93Å; T1038-D1875 WeakPolarHBondContact CG2-O 3.45Å; S1039-D1875 PolarHBondContact N-O 2.86Å; S1039-D1875 PolarHBondContact OG-O 2.96Å
1876	S	39.7	Very low	41.2	Very low	95.2 Å²	95.2	139.2 Å²	139.2	67%	0.666	76%	0.756	S	S	*	*				158.4	136.7	91.1	-77.1	0	0	0	0	116.7	S1039	S1039-S1876 PolarHBondContact OG-N 3.47Å
1877	K	37.3	Very low	40.2	Very low	191.6 Å²	191.6	137.8 Å²	137.8	83%	0.833	76%	0.757	S	S	*	*			trans	-57.5	157.4	153.1	-77.8	-176.3	176.6	178.1	0	115.2	S1902	K1877-S1902 PolarHBondContact O-N 2.92Å
1878	P	40.9	Very low	39.3	Very low	103.6 Å²	103.6	138.4 Å²	138.4	67%	0.673	76%	0.76	S	S	*	*			cis	-122	-178.9	1.7	19.3	1.2	0	0	0	113.1	E1900 S1901	P1878-E1900 WeakPolarHBondContact CD-O 3.44Å; P1878-S1901 WeakPolarHBondContact CD-O 3.41Å; P1878-S1901 WeakPolarHBondContact CG-O 3.41Å
1879	E	38.9	Very low	38.5	Very low	177.6 Å²	177.6	136.8 Å²	136.8	83%	0.83	76%	0.76	S	S	*	*				-124.6	156.6	127.9	-85.5	-169.1	154.5	0	0	114.6
1880	P	39.4	Very low	37.6	Very low	109.8 Å²	109.8	136.9 Å²	136.9	71%	0.713	76%	0.758	S	S	*	*			trans	-117.2	165.8	-174.4	40.6	-31	0	0	0	116.1
1881	N	37.1	Very low	37.2	Very low	143.6 Å²	143.6	139.2 Å²	139.2	77%	0.768	76%	0.757	S	S	*	*			trans	-170	134.4	147.6	-90.8	-47.9	0	0	0	115.6
1882	T	35.2	Very low	36.9	Very low	117 Å²	117	140.2 Å²	140.2	72%	0.718	75%	0.749	S	S	*	*			trans	53.4	146.3	139.8	52.8	0	0	0	0	117.9
1883	V	35.6	Very low	36.7	Very low	125 Å²	125	139.3 Å²	139.3	76%	0.758	74%	0.742	S	S	*	*				114.6	123.8	115.7	-178.1	0	0	0	0	116.1	Y1885	V1883-Y1885 HydrophobicContact CG1-CD2 4.24Å
1884	T	35.2	Very low	36.5	Very low	114.2 Å²	114.2	139.8 Å²	139.8	70%	0.701	75%	0.745	S	S	*	*			trans	-79.8	129.8	138.3	-41.2	0	0	0	0	113.3
1885	Y	33.5	Very low	36.1	Very low	187.8 Å²	187.8	137.4 Å²	137.4	74%	0.736	74%	0.74	S	S	*	*				-130.6	144.6	114.8	-85.9	-88.7	0	0	0	113.2	V1883 N2114 E2115	V1883-Y1885 HydrophobicContact CG1-CD2 4.24Å; Y1885-N2114 WeakPolarHBondContact CE2-ND2 2.96Å; Y1885-N2114 PolarHBondContact OH-ND2 3.48Å; Y1885-N2114 VanDerWaalsContact OH-ND2 3.07Å; Y1885-E2115 PolarHBondContact OH-OE1 3.19Å
1886	Q	36.6	Very low	35.6	Very low	167.6 Å²	167.6	138.6 Å²	138.6	78%	0.783	75%	0.746	S	S	*	*				-118.9	139.7	105	-73.7	-179.3	-44.7	0	0	112.6	D1888	Q1886-D1888 PolarHBondContact O-N 3.47Å; Q1886-D1888 VanDerWaalsContact O-N 3.15Å
1887	S	29.9	Very low	35.2	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	75%	0.748	S	S	*	*				174	120.3	116.7	-67.8	0	0	0	0	113.8
1888	D	34.7	Very low	35.1	Very low	154.4 Å²	154.4	136.2 Å²	136.2	83%	0.826	74%	0.742	S	S	*	*			trans	-144.4	125.3	142.7	-85	-38.6	0	0	0	111.7	Q1886	Q1886-D1888 PolarHBondContact O-N 3.47Å; Q1886-D1888 VanDerWaalsContact O-N 3.15Å
1889	S	35.1	Very low	34.7	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	75%	0.745	S	S	*	*			trans	-168.2	140.9	173.5	168.9	0	0	0	0	112.6
1890	F	30.9	Very low	34.5	Very low	190.4 Å²	190.4	137.5 Å²	137.5	84%	0.835	74%	0.741	S	S	*	*			trans	-8.8	132.7	160.3	-90.9	-96.9	0	0	0	114.9
1891	V	35.4	Very low	34.3	Very low	119.4 Å²	119.4	137.2 Å²	137.2	72%	0.724	74%	0.741	S	S	*	*			trans	-166.3	120.9	137.1	168.7	0	0	0	0	110.5
1892	E	36.4	Very low	34.1	Very low	153.2 Å²	153.2	134.9 Å²	134.9	72%	0.716	74%	0.736	S	S	*	*				-154	152	124.5	-152.8	-176.4	-151.1	0	0	111.4
1893	K	36	Very low	34.3	Very low	143.4 Å²	143.4	135.9 Å²	135.9	62%	0.623	74%	0.737	S	S	*	*			trans	44	127.5	162.5	-68.3	170.9	-178.4	139	0	116.4	D1867 D1868	D1867-K1893 IonicContact OD1-NZ 3Å; D1867-K1893 PolarHBondContact OD1-NZ 2.82Å; D1868-K1893 PolarHBondContact O-NZ 3.16Å; D1868-K1893 VanDerWaalsContact O-NZ 3.15Å
1894	L	36.1	Very low	34.5	Very low	158.2 Å²	158.2	138 Å²	138	83%	0.828	74%	0.739	S	S	*	*				164.1	124.8	112.2	-77.3	167.4	0	0	0	112.1
1895	S	33.5	Very low	34.7	Very low	90.4 Å²	90.4	139.8 Å²	139.8	63%	0.632	74%	0.739	S	S	*	*				94	122.1	73.6	-47.9	0	0	0	0	115.3
1896	N	31	Very low	34.9	Very low	156.8 Å²	156.8	139.2 Å²	139.2	84%	0.839	74%	0.74	S	S	*	*			trans	59.9	131.8	151.8	-60.1	-15.3	0	0	0	118
1897	S	29.7	Very low	35	Very low	98.8 Å²	98.8	136.4 Å²	136.4	69%	0.691	74%	0.737	S	S	*	*				151.3	142.4	92	-158.8	0	0	0	0	113.1
1898	I	35.6	Very low	35.2	Very low	138 Å²	138	139.5 Å²	139.5	71%	0.708	74%	0.74	S	S	*	*				88.3	124.3	123.8	-74.5	163.1	0	0	0	115.4	E1900	I1898-E1900 HydrophobicContact CG2-CB 4.16Å; I1898-E1900 HydrophobicContact CG2-CG 3.98Å
1899	M	33.1	Very low	35.2	Very low	152.6 Å²	152.6	138.4 Å²	138.4	75%	0.752	73%	0.734	S	S	*	*			trans	125.8	153.6	142.6	-80.6	169.5	16.8	0	0	112.6
1900	E	34.2	Very low	35.3	Very low	156.8 Å²	156.8	140 Å²	140	73%	0.733	74%	0.739	S	S	*	*			cis	-179.7	142.5	-8.5	-110.7	-178.6	143	0	0	109.9	P1878 I1898	P1878-E1900 WeakPolarHBondContact CD-O 3.44Å; I1898-E1900 HydrophobicContact CG2-CB 4.16Å; I1898-E1900 HydrophobicContact CG2-CG 3.98Å
1901	S	34.8	Very low	35.5	Very low	103.4 Å²	103.4	135.5 Å²	135.5	72%	0.723	73%	0.731	S	S	*	*			trans	96.6	151.1	151	61.2	0	0	0	0	115.3	P1878	P1878-S1901 WeakPolarHBondContact CD-O 3.41Å; P1878-S1901 WeakPolarHBondContact CG-O 3.41Å
1902	S	34.5	Very low	35.7	Very low	94.2 Å²	94.2	136.8 Å²	136.8	66%	0.659	73%	0.733	S	S	*	*			cis	175.4	147	32.4	-138.2	0	0	0	0	112.7	K1877	K1877-S1902 PolarHBondContact O-N 2.92Å
1903	D	37.9	Very low	35.5	Very low	138.8 Å²	138.8	138.7 Å²	138.7	74%	0.742	73%	0.734	S	S	*	*				159.5	139.1	95.1	-113.8	7.9	0	0	0	113.5
1904	E	40.1	Very low	35.5	Very low	168.4 Å²	168.4	137.6 Å²	137.6	79%	0.787	73%	0.734	S	S	*	*			trans	40.7	145.3	147.5	-57.5	-118.7	105.1	0	0	120.3
1905	E	40.4	Very low	35.4	Very low	151.8 Å²	151.8	137.6 Å²	137.6	71%	0.709	73%	0.73	S	S	*	*			cis	-162	141.8	2.9	-158.9	-169.8	165.5	0	0	114.3
1906	K	37	Very low	35.3	Very low	175.2 Å²	175.2	138.5 Å²	138.5	76%	0.762	74%	0.736	S	S	*	*			trans	20.4	172.5	159.6	-87.7	177.5	-172	142.7	0	118.2
1907	P	38.1	Very low	35.3	Very low	109.2 Å²	109.2	136.4 Å²	136.4	71%	0.709	73%	0.734	S	S	*	*				-123.3	170.3	-105.4	35.6	-20.2	0	0	0	115.2
1908	Q	35.3	Very low	35.4	Very low	172.4 Å²	172.4	139.3 Å²	139.3	81%	0.806	74%	0.74	S	S	*	*			trans	98	151.1	135.2	-74.9	-176	-60.6	0	0	115.5
1909	D	33.8	Very low	35.2	Very low	132 Å²	132	138.3 Å²	138.3	71%	0.706	75%	0.745	S	S	*	*				163	134.4	101.5	-106.9	-20.3	0	0	0	115.2
1910	T	37.5	Very low	35.3	Very low	135.6 Å²	135.6	136.9 Å²	136.9	83%	0.832	75%	0.745	S	S	*	*			trans	137.8	136	139.5	50	0	0	0	0	116.1
1911	S	35.6	Very low	35.1	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	74%	0.743	S	S	*	*			trans	-120.7	136.2	140.1	170	0	0	0	0	116.7
1912	L	38.1	Very low	35	Very low	146.8 Å²	146.8	136.3 Å²	136.3	77%	0.769	74%	0.739	S	S	*	*			trans	73.2	134.1	145	-59.1	-178.6	0	0	0	117.4	N1514	N1514-L1912 VanDerWaalsContact ND2-CD2 3.33Å; N1514-L1912 WeakPolarHBondContact ND2-CD2 3.13Å
1913	R	33.9	Very low	34.9	Very low	193.6 Å²	193.6	138.1 Å²	138.1	73%	0.731	74%	0.737	S	S	*	*			cis	171	126.8	7.8	-171.8	178.3	-179	113.9	1	112.6	T1513	T1513-R1913 PolarHBondContact O-NE 2.93Å
1914	L	35.1	Very low	34.6	Very low	121.4 Å²	121.4	138.6 Å²	138.6	64%	0.636	74%	0.735	S	S	*	*			trans	74.5	129.2	151.2	-65.3	175.1	0	0	0	116	T1513 F1515	T1513-L1914 HydrophobicContact CG2-CD1 3.74Å; T1513-L1914 VanDerWaalsContact OG1-CD1 3.22Å; T1513-L1914 WeakPolarHBondContact OG1-CD1 3.47Å; F1515-L1914 HydrophobicContact CD1-CD1 3.72Å; F1515-L1914 HydrophobicContact CE1-CD1 3.57Å; F1515-L1914 HydrophobicContact CE1-CG 3.92Å
1915	Q	34.4	Very low	34.2	Very low	156.8 Å²	156.8	135.9 Å²	135.9	73%	0.733	73%	0.734	S	S	*	*				110.9	128.9	85.6	-99.2	-178.9	4.8	0	0	116
1916	S	31.4	Very low	33.7	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	74%	0.74	S	S	*	*			trans	155	121.8	139.1	-56.7	0	0	0	0	115
1917	S	31.1	Very low	33.5	Very low	112.8 Å²	112.8	132.9 Å²	132.9	79%	0.789	74%	0.739	S	S	*	*				-139.4	120.3	121	-56.8	0	0	0	0	112.9
1918	I	32.1	Very low	33.1	Very low	160.2 Å²	160.2	132.1 Å²	132.1	82%	0.822	74%	0.736	S	S	*	*			trans	-143.8	113.1	138.9	-73.7	167	0	0	0	110.6	V1920	I1918-V1920 HydrophobicContact CB-CG2 4.41Å; I1918-V1920 HydrophobicContact CG1-CG2 4.02Å; I1918-V1920 HydrophobicContact CG2-CB 3.99Å; I1918-V1920 HydrophobicContact CG2-CG2 3.97Å
1919	S	31.5	Very low	32.7	Very low	115.8 Å²	115.8	129.1 Å²	129.1	81%	0.81	73%	0.732	S	S	*	*			trans	-125.4	143.2	147.2	-164.7	0	0	0	0	111.4
1920	V	33.5	Very low	32.5	Very low	123.6 Å²	123.6	128.2 Å²	128.2	75%	0.749	74%	0.736	S	S	*	*			trans	-133.8	128.6	160.6	-138.1	0	0	0	0	111.2	I1918 N1922	I1918-V1920 HydrophobicContact CB-CG2 4.41Å; I1918-V1920 HydrophobicContact CG1-CG2 4.02Å; I1918-V1920 HydrophobicContact CG2-CB 3.99Å; I1918-V1920 HydrophobicContact CG2-CG2 3.97Å; V1920-N1922 PolarHBondContact O-N 3.3Å
1921	N	31.7	Very low	32.1	Very low	131 Å²	131	126.4 Å²	126.4	70%	0.701	73%	0.729	S	S	*	*			trans	-82.9	136.8	150.6	-148.5	14.7	0	0	0	114.2
1922	N	32.1	Very low	31.7	Very low	117.2 Å²	117.2	127.4 Å²	127.4	63%	0.627	74%	0.735	S	S	*	*			trans	107	128.5	130.2	-83.8	-27	0	0	0	117.3	V1920	V1920-N1922 PolarHBondContact O-N 3.3Å
1923	Q	32.5	Very low	31.5	Very low	131 Å²	131	123.3 Å²	123.3	61%	0.612	73%	0.728	S	S	*	*				27.4	133.4	117.6	-59.1	-178.3	21.5	0	0	116.1
1924	H	30.7	Very low	31.4	Very low	150.8 Å²	150.8	121.1 Å²	121.1	70%	0.698	74%	0.736	S	S	*	*				172.2	132	108.6	-87.2	-56.1	0	0	0	112.7	L1926	H1924-L1926 HydrophobicContact CB-CG 4.39Å
1925	S	33.1	Very low	31.3	Very low	110 Å²	110	118.4 Å²	118.4	77%	0.769	74%	0.738	S	S	*	*			trans	-109.9	130.5	130.2	-66.3	0	0	0	0	113.3
1926	L	30.1	Very low	31.3	Very low	159.2 Å²	159.2	118 Å²	118	83%	0.834	74%	0.736	S	S	*	*			trans	14.6	108.6	157.1	-62.9	170.1	0	0	0	114.4	H1924	H1924-L1926 HydrophobicContact CB-CG 4.39Å
1927	S	31.5	Very low	31.6	Very low	105.6 Å²	105.6	120.1 Å²	120.1	74%	0.738	73%	0.731	S	S	*	*				80	129.7	111.3	-172.5	0	0	0	0	114.5	C1929	S1927-C1929 PolarHBondContact O-N 3.03Å
1928	S	29.6	Very low	31.9	Very low	93 Å²	93	122.4 Å²	122.4	65%	0.65	73%	0.727	S	S	*	*			trans	4	118.3	158.2	-58.4	0	0	0	0	115.7	S1448 C1932	S1448-S1928 WeakPolarHBondContact CB-O 3.4Å; S1448-S1928 PolarHBondContact OG-O 2.97Å; S1928-C1932 PolarHBondContact OG-SG 3.22Å
1929	C	26.7	Very low	31.9	Very low	108.2 Å²	108.2	120.5 Å²	120.5	73%	0.731	72%	0.723	S	S	*	*			trans	-160.4	144.7	142	-55.4	0	0	0	0	114.8	S1448 R1450 S1927	S1448-C1929 WeakPolarHBondContact OG-CA 3.27Å; S1448-C1929 WeakPolarHBondContact OG-CB 3.38Å; S1448-C1929 PolarHBondContact OG-O 3.02Å; R1450-C1929 PolarHBondContact O-SG 3.27Å; S1927-C1929 PolarHBondContact O-N 3.03Å
1930	S	29.7	Very low	31.8	Very low	112.6 Å²	112.6	121.6 Å²	121.6	79%	0.787	72%	0.72	S	S	*	*				-129.1	133.1	100.4	28.2	0	0	0	0	113.8	S1448	S1448-S1930 VanDerWaalsContact CB-OG 3.3Å; S1448-S1930 WeakPolarHBondContact CB-OG 3.4Å; S1448-S1930 WeakPolarHBondContact OG-CB 3.38Å; S1448-S1930 PolarHBondContact OG-OG 3.15Å
1931	S	29	Very low	31.7	Very low	98.6 Å²	98.6	120.3 Å²	120.3	69%	0.69	72%	0.716	S	S	*	*				102	130.5	128.2	-152.7	0	0	0	0	113.8	G1933	S1931-G1933 VanDerWaalsContact C-N 3.32Å; S1931-G1933 PolarHBondContact OG-N 3.45Å
1932	C	27.9	Very low	31.7	Very low	117.8 Å²	117.8	118.6 Å²	118.6	80%	0.796	72%	0.715	S	S	*	*				71.2	129	79.9	80.5	0	0	0	0	115.3	S1928	S1928-C1932 PolarHBondContact OG-SG 3.22Å
1933	G	33.7	Very low	31.7	Very low	60.8 Å²	60.8	122.2 Å²	122.2	63%	0.627	73%	0.725	S	S	*	*			cis	171.9	133.2	17.6	0	0	0	0	0	110.8	S1931	S1931-G1933 VanDerWaalsContact C-N 3.32Å; S1931-G1933 PolarHBondContact OG-N 3.45Å
1934	T	31.4	Very low	31.6	Very low	146.2 Å²	146.2	122 Å²	122	90%	0.897	73%	0.728	S	S	*	*				68.9	121	81.9	62.1	0	0	0	0	113.7
1935	G	33	Very low	31.6	Very low	65 Å²	65	120.3 Å²	120.3	67%	0.67	73%	0.728	S	S	*	*			trans	-177.2	108.5	172.7	0	0	0	0	0	113.7
1936	E	35.5	Very low	31.5	Very low	148.2 Å²	148.2	118.9 Å²	118.9	69%	0.693	72%	0.718	S	S	*	*			trans	-22.7	132.7	166.1	-43.3	164.7	-171.5	0	0	114.2	S1453 H1455	S1453-E1936 VanDerWaalsContact C-OE1 3.31Å; S1453-E1936 PolarHBondContact N-OE1 3.31Å; S1453-E1936 WeakPolarHBondContact O-CG 3.49Å; S1453-E1936 VanDerWaalsContact O-OE1 3.09Å; H1455-E1936 WeakPolarHBondContact O-CA 3.5Å
1937	K	36.6	Very low	31.6	Very low	153.6 Å²	153.6	118.4 Å²	118.4	67%	0.668	72%	0.715	S	S	*	*			cis	-174.4	140.2	46.1	-70.8	167.1	-176.3	150.1	0	112.1	H1455	H1455-K1937 HydrophobicContact CB-CB 3.8Å; H1455-K1937 HydrophobicContact CB-CG 3.99Å
1938	K	37.1	Very low	31.7	Very low	161 Å²	161	118.9 Å²	118.9	70%	0.7	71%	0.709	S	S	*	*			trans	51.8	129.2	144.3	-66.4	-176.7	161.3	-137.2	0	116.2	H1456 L1457 S1458 D1940 S1941	H1456-K1938 CarbonylContact O-C 3.6Å; H1456-K1938 VanDerWaalsContact O-CA 3.32Å; H1456-K1938 WeakPolarHBondContact O-CA 3.12Å; H1456-K1938 PolarHBondContact O-N 2.81Å; H1456-K1938 VanDerWaalsContact O-N 3.17Å; L1457-K1938 CarbonylContact C-O 3.5Å; L1457-K1938 WeakPolarHBondContact CA-O 3.24Å; L1457-K1938 PolarHBondContact N-O 3.14Å; L1457-K1938 VanDerWaalsContact N-O 3.08Å; L1457-K1938 CarbonylContact O-C 3.58Å; L1457-K1938 VanDerWaalsContact O-C 3.25Å; S1458-K1938 CarbonylContact O-C 3.51Å; K1938-D1940 PolarHBondContact NZ-O 3.16Å; K1938-S1941 PolarHBondContact NZ-O 3.06Å
1939	V	31.9	Very low	31.8	Very low	120.8 Å²	120.8	120.9 Å²	120.9	73%	0.732	71%	0.713	S	S	*	*				167.1	113	68.2	172.8	0	0	0	0	111.2	L1457 S1458	L1457-V1939 WeakPolarHBondContact O-CA 3.19Å; L1457-V1939 PolarHBondContact O-N 3.15Å; S1458-V1939 PolarHBondContact O-N 2.92Å; S1458-V1939 VanDerWaalsContact OG-CA 3.31Å; S1458-V1939 WeakPolarHBondContact OG-CA 3.08Å
1940	D	31.4	Very low	32.1	Very low	138.6 Å²	138.6	122.2 Å²	122.2	74%	0.741	71%	0.711	S	S	*	*			trans	-174.4	140.3	140.7	-82.9	-50.1	0	0	0	113.7	S1458 D1459 K1938	S1458-D1940 PolarHBondContact OG-N 2.73Å; D1459-D1940 CarbonylContact C-O 3.59Å; D1459-D1940 PolarHBondContact N-O 3.07Å; K1938-D1940 PolarHBondContact NZ-O 3.16Å
1941	S	31.6	Very low	32.3	Very low	97.8 Å²	97.8	123.5 Å²	123.5	68%	0.684	71%	0.709	S	S	*	*			trans	-136	135.4	167.8	-166.5	0	0	0	0	113.4	K1938	K1938-S1941 PolarHBondContact NZ-O 3.06Å
1942	S	30.8	Very low	32.6	Very low	95.4 Å²	95.4	125.6 Å²	125.6	67%	0.667	71%	0.713	S	S	*	*			trans	14.9	135.6	160.6	58.6	0	0	0	0	115.9
1943	F	31.7	Very low	33.1	Very low	192.8 Å²	192.8	126.2 Å²	126.2	85%	0.846	71%	0.708	S	S	*	*			trans	-139.7	119.7	160.9	-104.1	-84.4	0	0	0	109	V1945	F1943-V1945 HydrophobicContact CD1-CG2 4.14Å; F1943-V1945 HydrophobicContact CE1-CG2 3.97Å
1944	N	30	Very low	33.2	Very low	127 Å²	127	128.5 Å²	128.5	68%	0.679	71%	0.706	S	S	*	*			trans	-162.8	132	142.7	-171.2	16.7	0	0	0	111.1	S1946	N1944-S1946 PolarHBondContact OD1-OG 2.98Å; N1944-S1946 VanDerWaalsContact OD1-OG 3.1Å
1945	V	30.5	Very low	33.4	Very low	113.8 Å²	113.8	127.6 Å²	127.6	69%	0.69	69%	0.691	S	S	*	*			trans	-178.7	108.6	179.5	-175.7	0	0	0	0	109.2	F1943	F1943-V1945 HydrophobicContact CD1-CG2 4.14Å; F1943-V1945 HydrophobicContact CE1-CG2 3.97Å
1946	S	31.8	Very low	33.6	Very low	80.8 Å²	80.8	129.2 Å²	129.2	57%	0.565	69%	0.685	S	S	*	*			trans	-110.7	150	142.1	-55.5	0	0	0	0	113.3	N1944	N1944-S1946 PolarHBondContact OD1-OG 2.98Å; N1944-S1946 VanDerWaalsContact OD1-OG 3.1Å
1947	I	32.1	Very low	33.7	Very low	148 Å²	148	128.5 Å²	128.5	76%	0.759	68%	0.679	S	S	*	*			trans	-150.1	129.8	158.9	-61.4	167.9	0	0	0	109.5	D1949 H1955	I1947-D1949 PolarHBondContact O-N 3.19Å; I1947-H1955 PolarHBondContact O-ND1 3.35Å
1948	N	32.9	Very low	33.6	Very low	116.2 Å²	116.2	127.6 Å²	127.6	62%	0.621	68%	0.681	S	S	*	*			trans	-100.7	130.2	149	-65.8	-3.4	0	0	0	111.6	I1950 H1955 D1956	N1948-I1950 HydrophobicContact CB-CD1 4.46Å; N1948-H1955 VanDerWaalsContact CA-ND1 3.34Å; N1948-H1955 WeakPolarHBondContact CA-ND1 3.34Å; N1948-H1955 HydrophobicContact CB-CB 4.37Å; N1948-H1955 WeakPolarHBondContact CB-ND1 3.41Å; N1948-H1955 WeakPolarHBondContact OD1-CB 3.1Å; N1948-D1956 PolarHBondContact ND2-OD1 2.79Å; N1948-D1956 PolarHBondContact OD1-N 2.76Å
1949	D	32.5	Very low	33.5	Very low	136.6 Å²	136.6	125.8 Å²	125.8	73%	0.73	68%	0.679	S	S	*	*				-130.9	136.4	56.2	-73.7	-50	0	0	0	110.5	I1947	I1947-D1949 PolarHBondContact O-N 3.19Å
1950	I	33.8	Very low	33.6	Very low	134.4 Å²	134.4	129.6 Å²	129.6	69%	0.689	68%	0.68	S	S	*	*				171.1	116.7	87.3	-74.8	167.2	0	0	0	110.7	N1948 N1952 H1955	N1948-I1950 HydrophobicContact CB-CD1 4.46Å; I1950-N1952 HydrophobicContact CG2-CB 4.28Å; I1950-H1955 WeakPolarHBondContact CA-NE2 3.47Å; I1950-H1955 WeakPolarHBondContact CG1-CD2 3.49Å
1951	D	34	Very low	33.5	Very low	140.6 Å²	140.6	127.7 Å²	127.7	75%	0.752	68%	0.677	S	S	*	*			trans	155.2	137.2	142.3	-99	-22.1	0	0	0	113.4	D1953	D1951-D1953 HydrophobicContact CB-CB 3.96Å; D1951-D1953 PolarHBondContact O-N 2.92Å
1952	N	34.2	Very low	33.6	Very low	142.2 Å²	142.2	129.3 Å²	129.3	76%	0.76	68%	0.678	S	S	*	*			trans	147.7	106.5	176.6	-128.2	-5.3	0	0	0	113.9	I1950	I1950-N1952 HydrophobicContact CG2-CB 4.28Å
1953	D	38	Very low	33.5	Very low	129.6 Å²	129.6	129 Å²	129	69%	0.693	68%	0.675	S	S	*	*			trans	-166.8	130.4	143.1	-114.6	-13.8	0	0	0	113.6	R1416 D1951 H1955 K1957	R1416-D1953 IonicContact NH2-OD1 3.19Å; D1951-D1953 HydrophobicContact CB-CB 3.96Å; D1951-D1953 PolarHBondContact O-N 2.92Å; D1953-H1955 PolarHBondContact O-N 3.02Å; D1953-K1957 VanDerWaalsContact CG-CE 3.41Å; D1953-K1957 WeakPolarHBondContact OD1-CE 3.43Å; D1953-K1957 IonicContact OD1-NZ 2.76Å; D1953-K1957 PolarHBondContact OD1-NZ 3.13Å; D1953-K1957 WeakPolarHBondContact OD2-CE 3.42Å; D1953-K1957 IonicContact OD2-NZ 3.95Å; D1953-K1957 PolarHBondContact OD2-NZ 2.97Å
1954	N	36.3	Very low	33.5	Very low	110.2 Å²	110.2	126.4 Å²	126.4	59%	0.589	67%	0.67	S	S	*	*				-172.2	118.9	111.5	-101.7	-57.1	0	0	0	115.1	R1416 D1956 K1957	R1416-N1954 PolarHBondContact NH1-OD1 2.87Å; R1416-N1954 PolarHBondContact NH2-OD1 3.48Å; N1954-D1956 PolarHBondContact OD1-N 3.09Å; N1954-K1957 WeakPolarHBondContact OD1-CE 3.43Å; N1954-K1957 PolarHBondContact OD1-NZ 3.42Å; N1954-K1957 VanDerWaalsContact OD1-NZ 3.15Å
1955	H	35.3	Very low	33.6	Very low	127.8 Å²	127.8	124.8 Å²	124.8	59%	0.592	67%	0.665	S	S	*	*				50.7	137.1	112.1	-87.5	-68.3	0	0	0	117.7	I1947 N1948 I1950 D1953	I1947-H1955 PolarHBondContact O-ND1 3.35Å; N1948-H1955 VanDerWaalsContact CA-ND1 3.34Å; N1948-H1955 WeakPolarHBondContact CA-ND1 3.34Å; N1948-H1955 HydrophobicContact CB-CB 4.37Å; N1948-H1955 WeakPolarHBondContact CB-ND1 3.41Å; N1948-H1955 WeakPolarHBondContact OD1-CB 3.1Å; I1950-H1955 WeakPolarHBondContact CA-NE2 3.47Å; I1950-H1955 WeakPolarHBondContact CG1-CD2 3.49Å; D1953-H1955 PolarHBondContact O-N 3.02Å
1956	D	38.3	Very low	33.7	Very low	98.4 Å²	98.4	126.1 Å²	126.1	53%	0.526	67%	0.667	S	S	.	*			trans	85	134.6	151.7	-88.1	-31.2	0	0	0	116.8	R1416 N1948 N1954	R1416-D1956 VanDerWaalsContact CD-OD1 3.3Å; R1416-D1956 WeakPolarHBondContact CD-OD1 3.47Å; R1416-D1956 IonicContact CZ-OD1 3.13Å; R1416-D1956 IonicContact NE-OD1 2.64Å; R1416-D1956 PolarHBondContact NE-OD1 3.39Å; R1416-D1956 IonicContact NH1-OD1 2.69Å; R1416-D1956 PolarHBondContact NH1-OD1 3.13Å; R1416-D1956 VanDerWaalsContact NH1-OD1 3.13Å; R1416-D1956 IonicContact NH2-OD1 2.87Å; R1416-D1956 PolarHBondContact NH2-OD1 3.44Å; N1948-D1956 PolarHBondContact ND2-OD1 2.79Å; N1948-D1956 PolarHBondContact OD1-N 2.76Å; N1954-D1956 PolarHBondContact OD1-N 3.09Å
1957	K	36.8	Very low	33.6	Very low	133.2 Å²	133.2	126.3 Å²	126.3	58%	0.579	67%	0.669	S	S	*	*			trans	-138.8	134.6	-165.4	-90.2	171.8	-168.1	145	0	112.7	T1415 R1416 L1417 D1953 N1954	T1415-K1957 VanDerWaalsContact CG2-O 3.24Å; T1415-K1957 WeakPolarHBondContact CG2-O 3.41Å; R1416-K1957 WeakPolarHBondContact CA-O 3.36Å; R1416-K1957 HydrophobicContact CB-CB 4.02Å; R1416-K1957 HydrophobicContact CG-CB 4.11Å; R1416-K1957 PolarHBondContact N-O 3.36Å; R1416-K1957 VanDerWaalsContact NE-N 3.19Å; R1416-K1957 VanDerWaalsContact NH2-CD 3.29Å; R1416-K1957 VanDerWaalsContact NH2-CE 3.26Å; L1417-K1957 HydrophobicContact CD1-CD 4.47Å; L1417-K1957 HydrophobicContact CD2-CD 3.76Å; L1417-K1957 HydrophobicContact CG-CB 4.43Å; L1417-K1957 HydrophobicContact CG-CD 3.75Å; D1953-K1957 VanDerWaalsContact CG-CE 3.41Å; D1953-K1957 WeakPolarHBondContact OD1-CE 3.43Å; D1953-K1957 IonicContact OD1-NZ 2.76Å; D1953-K1957 PolarHBondContact OD1-NZ 3.13Å; D1953-K1957 WeakPolarHBondContact OD2-CE 3.42Å; D1953-K1957 IonicContact OD2-NZ 3.95Å; D1953-K1957 PolarHBondContact OD2-NZ 2.97Å; N1954-K1957 WeakPolarHBondContact OD1-CE 3.43Å; N1954-K1957 PolarHBondContact OD1-NZ 3.42Å; N1954-K1957 VanDerWaalsContact OD1-NZ 3.15Å
1958	L	35	Very low	33.6	Very low	135.4 Å²	135.4	125.5 Å²	125.5	71%	0.709	67%	0.666	S	S	*	*			trans	61.6	124.3	142.2	-78.8	130.3	0	0	0	114	R1416 L1417 S1418	R1416-L1958 CarbonylContact C-O 3.17Å; R1416-L1958 WeakPolarHBondContact CA-O 3.02Å; L1417-L1958 CarbonylContact C-O 3.57Å; L1417-L1958 VanDerWaalsContact C-O 3.27Å; L1417-L1958 WeakPolarHBondContact CA-O 3.11Å; L1417-L1958 PolarHBondContact N-O 3.39Å; S1418-L1958 WeakPolarHBondContact OG-CB 3.34Å; S1418-L1958 WeakPolarHBondContact OG-CG 3.14Å
1959	N	34.3	Very low	33.6	Very low	122.8 Å²	122.8	127.3 Å²	127.3	66%	0.657	67%	0.668	S	S	*	*				99.4	149.8	119	-90.5	-36.9	0	0	0	116.3	R1416 L1417 S1418	R1416-N1959 PolarHBondContact O-ND2 3.25Å; L1417-N1959 CarbonylContact O-C 3.13Å; L1417-N1959 VanDerWaalsContact O-C 3.29Å; L1417-N1959 WeakPolarHBondContact O-CA 3.16Å; S1418-N1959 VanDerWaalsContact CA-O 3.27Å; S1418-N1959 WeakPolarHBondContact CA-O 3.33Å; S1418-N1959 WeakPolarHBondContact CB-O 3.36Å; S1418-N1959 PolarHBondContact OG-N 3.03Å; S1418-N1959 PolarHBondContact OG-O 3.09Å
1960	R	33.9	Very low	33.7	Very low	199.6 Å²	199.6	128.3 Å²	128.3	75%	0.753	67%	0.67	S	S	*	*			cis	172.4	149.1	-30.7	-139	-177.2	-163.1	-179.4	0.6	112.7	L1417 S1418 L1419	L1417-R1960 WeakPolarHBondContact O-CB 3.27Å; L1417-R1960 WeakPolarHBondContact O-CD 3.27Å; L1417-R1960 WeakPolarHBondContact O-CG 3.2Å; S1418-R1960 PolarHBondContact O-NE 2.97Å; S1418-R1960 PolarHBondContact O-NH2 2.7Å; L1419-R1960 VanDerWaalsContact O-CG 3.31Å; L1419-R1960 WeakPolarHBondContact O-CG 3.36Å; L1419-R1960 PolarHBondContact O-NE 2.46Å
1961	C	30.3	Very low	33.5	Very low	99.4 Å²	99.4	127 Å²	127	67%	0.672	67%	0.673	S	S	*	*			trans	43.5	129.8	146.4	-64.1	0	0	0	0	117.6
1962	D	32.9	Very low	33.8	Very low	130.8 Å²	130.8	125.4 Å²	125.4	70%	0.699	67%	0.67	S	S	*	*				153.6	142.8	65.6	-89.2	-34.1	0	0	0	116.5	G1420	G1420-D1962 WeakPolarHBondContact CA-OD1 3.38Å; G1420-D1962 PolarHBondContact N-OD1 2.72Å
1963	S	29.5	Very low	33.7	Very low	88.6 Å²	88.6	124.8 Å²	124.8	62%	0.62	67%	0.672	S	S	*	*				-176.6	139.4	128.9	-61.7	0	0	0	0	116
1964	L	31.9	Very low	33.4	Very low	139.8 Å²	139.8	122 Å²	122	73%	0.732	67%	0.674	S	S	*	*				118.4	117.7	116.8	-114.3	106.8	0	0	0	117
1965	T	30.9	Very low	33.3	Very low	92.8 Å²	92.8	120.2 Å²	120.2	57%	0.569	68%	0.681	S	S	*	*				74.6	144.2	105.9	-5.6	0	0	0	0	120.5
1966	L	32.2	Very low	33.1	Very low	141.2 Å²	141.2	120.9 Å²	120.9	74%	0.739	69%	0.689	S	S	*	*			trans	78.2	123.7	148.2	-66.5	164.4	0	0	0	118.6
1967	S	30.3	Very low	32.9	Very low	85.6 Å²	85.6	124.1 Å²	124.1	60%	0.599	70%	0.701	S	S	*	*				129.7	145.2	63	-118	0	0	0	0	117.9
1968	N	32.4	Very low	32.7	Very low	131.2 Å²	131.2	125.3 Å²	125.3	70%	0.702	71%	0.709	S	S	*	*				110.7	131.8	129.2	-88.9	-12.4	0	0	0	118.5
1969	K	33.1	Very low	32.6	Very low	152.8 Å²	152.8	125.3 Å²	125.3	66%	0.664	71%	0.709	S	S	*	*				151.9	154.8	107.7	-86.6	176	-174.4	-168	0	114.5	S1426	S1426-K1969 PolarHBondContact O-NZ 2.69Å; S1426-K1969 WeakPolarHBondContact OG-CE 3.43Å; S1426-K1969 PolarHBondContact OG-NZ 3.15Å
1970	M	33.8	Very low	32.7	Very low	157.2 Å²	157.2	126.9 Å²	126.9	77%	0.774	71%	0.712	S	S	*	*				105	139.7	106.2	-90.2	125.2	102.4	0	0	115
1971	S	30.8	Very low	32.7	Very low	106.8 Å²	106.8	121.4 Å²	121.4	75%	0.747	70%	0.704	S	S	*	*				173.2	159	81	-65.5	0	0	0	0	111.2
1972	P	38.9	Very low	33	Very low	107.6 Å²	107.6	121.5 Å²	121.5	70%	0.699	70%	0.698	S	S	*	*			cis	-144.6	-176.4	19.5	40.3	-20.1	0	0	0	117.6
1973	T	32.9	Very low	33.3	Very low	129.4 Å²	129.4	121.9 Å²	121.9	79%	0.794	70%	0.696	S	S	*	*			trans	79.8	139	146.7	-14.1	0	0	0	0	117.7	K1761	K1761-T1973 PolarHBondContact NZ-OG1 2.88Å; K1761-T1973 VanDerWaalsContact NZ-OG1 3.1Å
1974	G	32	Very low	33.6	Very low	71.8 Å²	71.8	124.4 Å²	124.4	74%	0.74	70%	0.697	S	S	*	*			cis	124.8	139.3	30.5	0	0	0	0	0	112.3
1975	G	33	Very low	33.8	Very low	71.4 Å²	71.4	124 Å²	124	74%	0.736	70%	0.695	S	S	*	*			trans	128.1	131.1	143.3	0	0	0	0	0	112.8
1976	D	32.6	Very low	34	Very low	143.4 Å²	143.4	123.7 Å²	123.7	77%	0.767	70%	0.697	S	S	*	*				-177.6	154.2	101.9	-75.6	-54.7	0	0	0	117
1977	Q	34.2	Very low	34.1	Very low	165.8 Å²	165.8	123.8 Å²	123.8	78%	0.775	70%	0.697	S	S	*	*			trans	124.2	0	149.5	-71.1	164.1	82.8	0	0	117.5
1978	Q	31.9	Very low	34.2	Very low	158.4 Å²	158.4	128.1 Å²	128.1	74%	0.74	71%	0.705	S	S	*	*				0	135.5	0	-157.2	169.6	-26.3	0	0	118.4
1979	L	33.4	Very low	34.2	Very low	135.2 Å²	135.2	128.3 Å²	128.3	71%	0.708	71%	0.705	S	S	*	*			trans	65.9	126.5	157.6	-59	174.8	0	0	0	121.9
1980	H	35.1	Very low	34.2	Very low	155.6 Å²	155.6	128.3 Å²	128.3	72%	0.72	71%	0.707	S	S	*	*				89.1	139.5	114.3	-80.3	-76.3	0	0	0	120.4	D1982	H1980-D1982 IonicContact CE1-OD2 2.96Å; H1980-D1982 IonicContact CG-OD2 3.85Å; H1980-D1982 IonicContact ND1-OD2 2.69Å; H1980-D1982 PolarHBondContact ND1-OD2 3.03Å
1981	S	34.9	Very low	34.1	Very low	84 Å²	84	126 Å²	126	59%	0.587	70%	0.702	S	S	*	*				166.8	153.6	121.7	36.7	0	0	0	0	115.6	Q1995	S1981-Q1995 PolarHBondContact O-NE2 2.92Å
1982	D	36.7	Very low	34.3	Very low	102.2 Å²	102.2	126.6 Å²	126.6	55%	0.547	70%	0.702	S	S	.	*				-165.7	161	108.1	-47.9	-78	0	0	0	114.8	H1980 Q1995	H1980-D1982 IonicContact CE1-OD2 2.96Å; H1980-D1982 IonicContact CG-OD2 3.85Å; H1980-D1982 IonicContact ND1-OD2 2.69Å; H1980-D1982 PolarHBondContact ND1-OD2 3.03Å; D1982-Q1995 HydrophobicContact CB-CG 3.92Å; D1982-Q1995 WeakPolarHBondContact O-CB 3.21Å; D1982-Q1995 VanDerWaalsContact O-CG 3.27Å; D1982-Q1995 WeakPolarHBondContact O-CG 3.25Å; D1982-Q1995 PolarHBondContact O-OE1 2.64Å; D1982-Q1995 VanDerWaalsContact OD2-CD 3.28Å; D1982-Q1995 WeakPolarHBondContact OD2-CG 3.48Å; D1982-Q1995 PolarHBondContact OD2-NE2 2.7Å
1983	E	38.4	Very low	34	Very low	139 Å²	139	125.4 Å²	125.4	65%	0.65	70%	0.696	S	S	*	*				-173.6	0	82.4	-93.1	-168.1	119.6	0	0	118.9	Q1995	E1983-Q1995 VanDerWaalsContact C-N 3.28Å; E1983-Q1995 HydrophobicContact CB-CB 4.32Å; E1983-Q1995 VanDerWaalsContact O-CB 3.32Å; E1983-Q1995 WeakPolarHBondContact O-CB 3.45Å; E1983-Q1995 PolarHBondContact O-N 3.17Å
1984	H	36.2	Very low	34.1	Very low	141.4 Å²	141.4	127.6 Å²	127.6	66%	0.655	70%	0.695	S	S	*	*				0	135	0	-59.7	-63.2	0	0	0	118.1	T1992 S1993 K1994 Q1995	H1984-T1992 CarbonylContact O-C 3.27Å; H1984-S1993 CarbonylContact C-O 3.11Å; H1984-S1993 CarbonylContact O-C 3.27Å; H1984-S1993 VanDerWaalsContact O-CA 3.3Å; H1984-S1993 WeakPolarHBondContact O-CA 3.02Å; H1984-S1993 PolarHBondContact O-N 3.41Å; H1984-K1994 PolarHBondContact CD2-O 3.2Å; H1984-K1994 VanDerWaalsContact N-C 3.29Å; H1984-K1994 PolarHBondContact O-N 3.34Å; H1984-K1994 VanDerWaalsContact O-N 3.08Å; H1984-Q1995 VanDerWaalsContact N-N 3.16Å
1985	L	36.1	Very low	34	Very low	130.4 Å²	130.4	130.9 Å²	130.9	68%	0.683	69%	0.69	S	S	*	*			cis	164.5	158.4	28.3	-69.8	157.2	0	0	0	113.6	I1987 T1992 S1993	L1985-I1987 HydrophobicContact CD1-CD1 4.27Å; L1985-I1987 HydrophobicContact CD2-CD1 3.64Å; L1985-I1987 HydrophobicContact CD2-CG1 4.43Å; L1985-T1992 CarbonylContact C-O 3.29Å; L1985-T1992 VanDerWaalsContact C-O 3.23Å; L1985-T1992 PolarHBondContact N-O 3.37Å; L1985-T1992 CarbonylContact O-C 3.01Å; L1985-T1992 PolarHBondContact O-N 2.84Å; L1985-T1992 VanDerWaalsContact O-O 3.08Å; L1985-S1993 WeakPolarHBondContact CD2-O 3.37Å; L1985-S1993 VanDerWaalsContact CG-O 3.31Å; L1985-S1993 WeakPolarHBondContact CG-O 3.44Å; L1985-S1993 PolarHBondContact N-O 2.66Å
1986	S	34.5	Very low	34.2	Very low	87.8 Å²	87.8	131.6 Å²	131.6	61%	0.614	68%	0.682	S	S	*	*				143.9	151.7	116	-85.2	0	0	0	0	115.5	T1992	S1986-T1992 VanDerWaalsContact CB-O 3.3Å; S1986-T1992 WeakPolarHBondContact CB-O 3.38Å; S1986-T1992 PolarHBondContact OG-O 3.17Å
1987	I	34.4	Very low	34.2	Very low	143.8 Å²	143.8	132.1 Å²	132.1	74%	0.737	68%	0.684	S	S	*	*				95.7	128	67.7	-79.4	165.7	0	0	0	112.5	L1985	L1985-I1987 HydrophobicContact CD1-CD1 4.27Å; L1985-I1987 HydrophobicContact CD2-CD1 3.64Å; L1985-I1987 HydrophobicContact CD2-CG1 4.43Å
1988	K	32.2	Very low	33.9	Very low	174.4 Å²	174.4	128.5 Å²	128.5	76%	0.758	68%	0.677	S	S	*	*			trans	57.6	138.9	130.6	-107.6	-164.3	173	-171.4	0	116.7	S1597 E1990	S1597-K1988 VanDerWaalsContact OG-C 3.27Å; S1597-K1988 PolarHBondContact OG-O 3.36Å; K1988-E1990 IonicContact NZ-OE2 2.61Å; K1988-E1990 PolarHBondContact NZ-OE2 2.85Å
1989	L	34	Very low	33.7	Very low	135.4 Å²	135.4	126.4 Å²	126.4	71%	0.709	68%	0.68	S	S	*	*			cis	-169.2	145.3	47.1	-126.6	72.5	0	0	0	111.2	S1597	S1597-L1989 PolarHBondContact OG-N 2.8Å; S1597-L1989 VanDerWaalsContact OG-N 3.14Å
1990	E	32.8	Very low	33.5	Very low	153.2 Å²	153.2	124 Å²	124	72%	0.716	68%	0.679	S	S	*	*			trans	87.2	155.9	136.7	-106.9	173	138.5	0	0	120.1	K1988	K1988-E1990 IonicContact NZ-OE2 2.61Å; K1988-E1990 PolarHBondContact NZ-OE2 2.85Å
1991	T	31.9	Very low	33.4	Very low	108.2 Å²	108.2	124.4 Å²	124.4	66%	0.664	68%	0.684	S	S	*	*			trans	111.7	132.6	171.5	48.3	0	0	0	0	118.5
1992	T	34.6	Very low	33.4	Very low	120.4 Å²	120.4	126.9 Å²	126.9	74%	0.739	69%	0.689	S	S	*	*			trans	81.4	128.4	144.4	40.3	0	0	0	0	122.4	H1984 L1985 S1986	H1984-T1992 CarbonylContact O-C 3.27Å; L1985-T1992 CarbonylContact C-O 3.29Å; L1985-T1992 VanDerWaalsContact C-O 3.23Å; L1985-T1992 PolarHBondContact N-O 3.37Å; L1985-T1992 CarbonylContact O-C 3.01Å; L1985-T1992 PolarHBondContact O-N 2.84Å; L1985-T1992 VanDerWaalsContact O-O 3.08Å; S1986-T1992 VanDerWaalsContact CB-O 3.3Å; S1986-T1992 WeakPolarHBondContact CB-O 3.38Å; S1986-T1992 PolarHBondContact OG-O 3.17Å
1993	S	31.7	Very low	33.2	Very low	81.8 Å²	81.8	129.6 Å²	129.6	57%	0.572	70%	0.698	S	S	*	*				97.8	120.3	109	165.1	0	0	0	0	120.5	H1984 L1985	H1984-S1993 CarbonylContact C-O 3.11Å; H1984-S1993 CarbonylContact O-C 3.27Å; H1984-S1993 VanDerWaalsContact O-CA 3.3Å; H1984-S1993 WeakPolarHBondContact O-CA 3.02Å; H1984-S1993 PolarHBondContact O-N 3.41Å; L1985-S1993 WeakPolarHBondContact CD2-O 3.37Å; L1985-S1993 VanDerWaalsContact CG-O 3.31Å; L1985-S1993 WeakPolarHBondContact CG-O 3.44Å; L1985-S1993 PolarHBondContact N-O 2.66Å
1994	K	35.9	Very low	33	Very low	177 Å²	177	130.8 Å²	130.8	77%	0.77	70%	0.704	S	S	*	*			trans	91	145.4	136.1	-66.7	172.7	-173.1	179.8	0	117.5	D1288 H1984	D1288-K1994 WeakPolarHBondContact OD1-CD 3.48Å; D1288-K1994 VanDerWaalsContact OD1-CE 3.25Å; D1288-K1994 WeakPolarHBondContact OD1-CE 3.27Å; D1288-K1994 IonicContact OD1-NZ 2.65Å; D1288-K1994 PolarHBondContact OD1-NZ 3.25Å; D1288-K1994 WeakPolarHBondContact OD2-CD 3.4Å; H1984-K1994 PolarHBondContact CD2-O 3.2Å; H1984-K1994 VanDerWaalsContact N-C 3.29Å; H1984-K1994 PolarHBondContact O-N 3.34Å; H1984-K1994 VanDerWaalsContact O-N 3.08Å
1995	Q	29.4	Very low	33	Very low	140 Å²	140	130.8 Å²	130.8	65%	0.654	71%	0.707	S	S	*	*			cis	-118.1	-179.9	42.9	-129	-149.8	-4.8	0	0	110.1	D1288 S1981 D1982 E1983 H1984	D1288-Q1995 PolarHBondContact OD2-NE2 2.64Å; S1981-Q1995 PolarHBondContact O-NE2 2.92Å; D1982-Q1995 HydrophobicContact CB-CG 3.92Å; D1982-Q1995 WeakPolarHBondContact O-CB 3.21Å; D1982-Q1995 VanDerWaalsContact O-CG 3.27Å; D1982-Q1995 WeakPolarHBondContact O-CG 3.25Å; D1982-Q1995 PolarHBondContact O-OE1 2.64Å; D1982-Q1995 VanDerWaalsContact OD2-CD 3.28Å; D1982-Q1995 WeakPolarHBondContact OD2-CG 3.48Å; D1982-Q1995 PolarHBondContact OD2-NE2 2.7Å; E1983-Q1995 VanDerWaalsContact C-N 3.28Å; E1983-Q1995 HydrophobicContact CB-CB 4.32Å; E1983-Q1995 VanDerWaalsContact O-CB 3.32Å; E1983-Q1995 WeakPolarHBondContact O-CB 3.45Å; E1983-Q1995 PolarHBondContact O-N 3.17Å; H1984-Q1995 VanDerWaalsContact N-N 3.16Å
1996	P	36.7	Very low	32.8	Very low	86.4 Å²	86.4	129.2 Å²	129.2	56%	0.561	71%	0.707	S	S	*	*			cis	-127.5	-169.4	-45.4	37.1	-17.7	0	0	0	115
1997	L	32.9	Very low	32.8	Very low	153.2 Å²	153.2	130.5 Å²	130.5	80%	0.802	71%	0.711	S	S	*	*			trans	100.6	118	142.6	-73.5	170.5	0	0	0	115.9
1998	S	27.7	Very low	32.8	Very low	91 Å²	91	132.4 Å²	132.4	64%	0.636	71%	0.714	S	S	*	*				81.8	138.7	83.2	65.1	0	0	0	0	117.8
1999	S	28.6	Very low	32.7	Very low	113.6 Å²	113.6	130.2 Å²	130.2	79%	0.794	72%	0.715	S	S	*	*			trans	81	149.4	152.8	-129	0	0	0	0	118.9
2000	A	29.6	Very low	32.5	Very low	84.4 Å²	84.4	129 Å²	129	70%	0.698	72%	0.718	S	S	*	*			trans	113.6	129.2	160.1	0	0	0	0	0	114.7
2001	M	32.7	Very low	32.5	Very low	165.2 Å²	165.2	126.8 Å²	126.8	81%	0.814	72%	0.719	S	S	*	*				121.3	145.6	81.2	-86.5	-172.8	163.4	0	0	113.8
2002	I	33.7	Very low	32.6	Very low	135.8 Å²	135.8	127.3 Å²	127.3	70%	0.696	73%	0.725	S	S	*	*				84.1	136.5	127.7	-69.9	169.3	0	0	0	112.9
2003	E	33.2	Very low	32.5	Very low	159 Å²	159	128 Å²	128	74%	0.743	72%	0.724	S	S	*	*			cis	-152.9	157.8	4.8	-139.9	160.8	174.2	0	0	111.8	I2005	E2003-I2005 PolarHBondContact OE1-N 2.96Å
2004	E	35	Very low	32.8	Very low	165 Å²	165	128.9 Å²	128.9	77%	0.771	73%	0.728	S	S	*	*				67.8	145.1	99.3	-88.5	-170.3	159.4	0	0	117.5
2005	I	35.3	Very low	32.7	Very low	141.4 Å²	141.4	125.4 Å²	125.4	73%	0.725	72%	0.721	S	S	*	*			trans	66.3	108	138.6	-58.8	165.4	0	0	0	115.6	E2003	E2003-I2005 PolarHBondContact OE1-N 2.96Å
2006	S	33	Very low	32.9	Very low	96.4 Å²	96.4	125.7 Å²	125.7	67%	0.674	72%	0.723	S	S	*	*				73.4	149.3	85.6	-159.2	0	0	0	0	118.8
2007	T	33.9	Very low	32.8	Very low	114.2 Å²	114.2	125.6 Å²	125.6	70%	0.701	72%	0.724	S	S	*	*			trans	76.6	142.2	163.9	57	0	0	0	0	116.9
2008	K	33.6	Very low	32.9	Very low	184.4 Å²	184.4	126.6 Å²	126.6	80%	0.802	72%	0.722	S	S	*	*			cis	161.3	138.7	46.9	-117.9	166.3	-172.7	172.6	0	113.2
2009	V	29.5	Very low	33.2	Very low	129 Å²	129	126.6 Å²	126.6	78%	0.782	72%	0.722	S	S	*	*				60.5	127.8	127.7	-177.9	0	0	0	0	115.7
2010	S	30.9	Very low	33.4	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	72%	0.722	S	S	*	*				-177	141.7	107.1	-79.9	0	0	0	0	114.3
2011	S	31.6	Very low	33.6	Very low	106.6 Å²	106.6	133.2 Å²	133.2	75%	0.745	73%	0.728	S	S	*	*			trans	-92.9	149.7	141.9	-140.3	0	0	0	0	111	N2013	S2011-N2013 PolarHBondContact OG-N 3.41Å
2012	P	35.2	Very low	33.7	Very low	120.4 Å²	120.4	129 Å²	129	78%	0.782	72%	0.719	S	S	*	*				-127.5	156.1	102.8	37.8	-24	0	0	0	113.8
2013	N	32.6	Very low	33.7	Very low	133.2 Å²	133.2	130.2 Å²	130.2	71%	0.712	72%	0.722	S	S	*	*				-14.6	164.2	125.8	-114.8	-2.3	0	0	0	113.8	S2011 T2015	S2011-N2013 PolarHBondContact OG-N 3.41Å; N2013-T2015 PolarHBondContact OD1-OG1 3.32Å
2014	P	37.1	Very low	33.6	Very low	101.6 Å²	101.6	129.1 Å²	129.1	66%	0.66	72%	0.721	S	S	*	*				-128.7	-179.6	90.6	35.6	-18.5	0	0	0	116.5	D1637	D1637-P2014 CarbonylContact O-C 3.57Å; D1637-P2014 VanDerWaalsContact O-C 3.25Å; D1637-P2014 WeakPolarHBondContact O-CA 3.33Å; D1637-P2014 WeakPolarHBondContact O-CB 3.38Å
2015	T	34.2	Very low	33.2	Very low	103.2 Å²	103.2	126.8 Å²	126.8	63%	0.633	72%	0.722	S	S	*	*			trans	110.4	127.3	169.9	4.2	0	0	0	0	115.3	D1637 C1638 S1639 N2013	D1637-T2015 PolarHBondContact O-N 2.83Å; C1638-T2015 WeakPolarHBondContact CB-O 3.44Å; S1639-T2015 PolarHBondContact N-O 3.4Å; N2013-T2015 PolarHBondContact OD1-OG1 3.32Å
2016	E	34	Very low	32.9	Very low	145.8 Å²	145.8	125.4 Å²	125.4	68%	0.681	73%	0.725	S	S	*	*				96.6	171.3	105.5	-88.5	-168.9	-126.5	0	0	114.8	C1638 K2018	C1638-E2016 VanDerWaalsContact CB-CA 3.49Å; C1638-E2016 VanDerWaalsContact CB-N 3.31Å; C1638-E2016 WeakPolarHBondContact CB-O 3.27Å; C1638-E2016 PolarHBondContact SG-O 3.11Å; E2016-K2018 IonicContact OE1-NZ 3.19Å; E2016-K2018 PolarHBondContact OE1-NZ 2.78Å; E2016-K2018 WeakPolarHBondContact OE2-CE 3.49Å; E2016-K2018 IonicContact OE2-NZ 3.49Å; E2016-K2018 PolarHBondContact OE2-NZ 3.21Å
2017	S	34	Very low	33.1	Very low	85.2 Å²	85.2	126.5 Å²	126.5	60%	0.596	73%	0.73	S	S	*	*			cis	-160.4	155.3	-2	42.5	0	0	0	0	113.5
2018	K	34.6	Very low	33.1	Very low	174.6 Å²	174.6	126.2 Å²	126.2	76%	0.759	73%	0.73	S	S	*	*			trans	45.6	146.3	144.1	-62.6	159.1	-171.9	142.9	0	118.2	E2016	E2016-K2018 IonicContact OE1-NZ 3.19Å; E2016-K2018 PolarHBondContact OE1-NZ 2.78Å; E2016-K2018 WeakPolarHBondContact OE2-CE 3.49Å; E2016-K2018 IonicContact OE2-NZ 3.49Å; E2016-K2018 PolarHBondContact OE2-NZ 3.21Å
2019	S	33.9	Very low	32.7	Very low	91 Å²	91	124.6 Å²	124.6	64%	0.636	73%	0.729	S	S	*	*			cis	-174.2	156.9	-3.9	54.4	0	0	0	0	111.7
2020	N	33.3	Very low	32.7	Very low	148.6 Å²	148.6	125.5 Å²	125.5	80%	0.795	73%	0.729	S	S	*	*			trans	82.9	142.3	137.5	-67.8	-13.7	0	0	0	117.3
2021	K	33.5	Very low	32.5	Very low	188.2 Å²	188.2	128.3 Å²	128.3	82%	0.818	73%	0.73	S	S	*	*			cis	153.8	146.3	37.8	-149.5	-167.8	175.1	-169.3	0	112.8
2022	A	35	Very low	32.4	Very low	76.6 Å²	76.6	128.5 Å²	128.5	63%	0.633	73%	0.727	S	S	*	*			trans	101.6	150.4	140.4	0	0	0	0	0	115.5
2023	E	33.8	Very low	32	Very low	161 Å²	161	129.6 Å²	129.6	75%	0.752	73%	0.725	S	S	*	*			cis	-147.6	158.8	21.8	-105.3	152.6	134.4	0	0	113.7
2024	N	32	Very low	31.9	Very low	135.8 Å²	135.8	129.4 Å²	129.4	73%	0.726	73%	0.728	S	S	*	*			trans	-53.1	146.5	143.9	-78.5	-38	0	0	0	116.2
2025	C	27.1	Very low	31.4	Very low	115.6 Å²	115.6	129.8 Å²	129.8	78%	0.781	73%	0.728	S	S	*	*				69	123.8	127.2	-65.1	0	0	0	0	116.7
2026	S	28.7	Very low	31.2	Very low	112.8 Å²	112.8	129.4 Å²	129.4	79%	0.789	73%	0.73	S	S	*	*			trans	39.4	164	131.9	-43.5	0	0	0	0	114.6
2027	P	36.6	Very low	30.9	Very low	119.2 Å²	119.2	130 Å²	130	77%	0.774	73%	0.732	S	S	*	*				-117.5	-137.9	-57.1	33.8	-14.8	0	0	0	111.9
2028	P	33.3	Very low	30.6	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	74%	0.742	S	S	*	*				-122.4	177.3	-77.7	38.8	-23.6	0	0	0	114.6
2029	L	26.7	Very low	30.3	Very low	151.8 Å²	151.8	132 Å²	132	80%	0.795	74%	0.739	S	S	*	*			trans	55.7	138.6	161.2	-75.4	135.5	0	0	0	116.2
2030	L	28.5	Very low	30.1	Very low	147.6 Å²	147.6	133 Å²	133	77%	0.773	74%	0.741	S	S	*	*				109.3	128.4	123.4	-79.1	171.4	0	0	0	114.8
2031	Q	27.6	Very low	30	Very low	168.4 Å²	168.4	131.6 Å²	131.6	79%	0.787	74%	0.738	S	S	*	*				91.3	138.2	121.6	-111.6	174.2	16.3	0	0	115.9
2032	T	28.1	Very low	29.8	Very low	110.2 Å²	110.2	130 Å²	130	68%	0.676	73%	0.733	S	S	*	*				79.3	105.5	120.8	-52.8	0	0	0	0	114.1
2033	I	28.6	Very low	29.5	Very low	144 Å²	144	130.1 Å²	130.1	74%	0.738	73%	0.729	S	S	*	*				98	118	64.2	-71.8	157.5	0	0	0	111.9	V2035	I2033-V2035 HydrophobicContact CG2-CG2 4.02Å
2034	V	29.4	Very low	29.5	Very low	128.8 Å²	128.8	130.7 Å²	130.7	78%	0.781	73%	0.729	S	S	*	*			trans	-149	128.7	148.7	163.5	0	0	0	0	110.5	S2036	V2034-S2036 WeakPolarHBondContact CG1-OG 3.48Å
2035	V	27.5	Very low	29.5	Very low	109.6 Å²	109.6	132.3 Å²	132.3	66%	0.664	73%	0.732	S	S	*	*			trans	-134.5	124.6	-173	164.1	0	0	0	0	110.3	I2033 Q2037	I2033-V2035 HydrophobicContact CG2-CG2 4.02Å; V2035-Q2037 HydrophobicContact CG1-CG 3.78Å
2036	S	29	Very low	29.6	Very low	95.4 Å²	95.4	131.4 Å²	131.4	67%	0.667	73%	0.727	S	S	*	*			trans	157.1	115.3	145.6	-92.3	0	0	0	0	112.8	V2034	V2034-S2036 WeakPolarHBondContact CG1-OG 3.48Å
2037	Q	27.4	Very low	29.8	Very low	158 Å²	158	132.5 Å²	132.5	74%	0.738	72%	0.724	S	S	*	*				123.8	120.5	116.5	-71.3	-178	11.5	0	0	112.8	V2035	V2035-Q2037 HydrophobicContact CG1-CG 3.78Å
2038	Y	28.2	Very low	29.5	Very low	202 Å²	202	133.9 Å²	133.9	79%	0.792	73%	0.725	S	S	*	*			trans	161.3	148.4	131.2	-73	-66.2	0	0	0	110
2039	S	28.6	Very low	29.4	Very low	99 Å²	99	136 Å²	136	69%	0.692	73%	0.729	S	S	*	*			cis	112.7	130.6	29.3	-130.2	0	0	0	0	111.6
2040	T	28.4	Very low	29.7	Very low	112.2 Å²	112.2	134 Å²	134	69%	0.688	73%	0.725	S	S	*	*				68.4	111.6	69.8	-33	0	0	0	0	115.9
2041	V	31.1	Very low	29.7	Very low	120.4 Å²	120.4	131.6 Å²	131.6	73%	0.73	72%	0.721	S	S	*	*				-160.2	126.7	125.7	-174.7	0	0	0	0	110
2042	H	30.1	Very low	29.8	Very low	154.4 Å²	154.4	131.1 Å²	131.1	72%	0.715	72%	0.723	S	S	*	*				52.3	139.4	128.4	-72.7	-69.3	0	0	0	116.5
2043	S	28.2	Very low	29.8	Very low	78.2 Å²	78.2	130 Å²	130	55%	0.547	72%	0.72	S	S	.	*			cis	143.9	135.6	5	-146	0	0	0	0	110.4
2044	F	34.2	Very low	30	Very low	174 Å²	174	129.8 Å²	129.8	76%	0.763	72%	0.72	S	S	*	*			trans	-171.7	136.4	145.5	-60.2	-65.9	0	0	0	110.8
2045	E	31.1	Very low	30.1	Very low	168 Å²	168	130 Å²	130	79%	0.785	72%	0.717	S	S	*	*			cis	79.1	137.5	38.7	-131.6	168.3	165.3	0	0	113.1
2046	S	30.8	Very low	30.5	Very low	96.8 Å²	96.8	132.3 Å²	132.3	68%	0.677	72%	0.72	S	S	*	*			trans	-153.2	151.6	-177.3	30	0	0	0	0	110.7
2047	N	31.6	Very low	30.7	Very low	135.8 Å²	135.8	133.9 Å²	133.9	73%	0.726	72%	0.721	S	S	*	*				145.6	150.9	62.4	-92.9	-41.8	0	0	0	114.4
2048	N	31.6	Very low	31	Very low	148.6 Å²	148.6	133.5 Å²	133.5	80%	0.795	72%	0.724	S	S	*	*			trans	110.8	115.3	154.3	-82.5	-13.5	0	0	0	115.8
2049	I	30.8	Very low	31.5	Very low	152.2 Å²	152.2	129 Å²	129	78%	0.781	72%	0.717	S	S	*	*				-54.6	137.9	122.8	-58.2	171.2	0	0	0	109.7
2050	P	32.5	Very low	31.7	Very low	109.4 Å²	109.4	130.6 Å²	130.6	71%	0.71	72%	0.718	S	S	*	*			cis	-123.7	165	39.6	35.8	-18.8	0	0	0	114.3
2051	S	28	Very low	32.1	Very low	97.6 Å²	97.6	132.8 Å²	132.8	68%	0.683	72%	0.72	S	S	*	*				18.5	134.4	129.5	49.6	0	0	0	0	117.6
2052	L	30.6	Very low	32.1	Very low	157.8 Å²	157.8	132.1 Å²	132.1	83%	0.826	72%	0.721	S	S	*	*				-179.4	130.6	117.4	-137.6	66.6	0	0	0	109.3
2053	S	28.8	Very low	32.3	Very low	88 Å²	88	129.6 Å²	129.6	62%	0.615	72%	0.721	S	S	*	*				153.8	125.2	97.8	63.4	0	0	0	0	111.8
2054	D	32.4	Very low	32.4	Very low	139.6 Å²	139.6	131.8 Å²	131.8	75%	0.747	73%	0.731	S	S	*	*			trans	-171.1	138.5	131.4	-86.1	-42.1	0	0	0	111.3
2055	N	31.8	Very low	32.3	Very low	133.2 Å²	133.2	129.8 Å²	129.8	71%	0.712	73%	0.733	S	S	*	*				105.5	142.5	128.5	-77.9	-32.4	0	0	0	114.1
2056	H	34.5	Very low	32.4	Very low	158.4 Å²	158.4	124.9 Å²	124.9	73%	0.733	73%	0.727	S	S	*	*			trans	98.9	133.6	167.7	-89.8	-63.4	0	0	0	112.7
2057	D	34	Very low	32.4	Very low	128.8 Å²	128.8	124.4 Å²	124.4	69%	0.689	73%	0.73	S	S	*	*				96.1	130.9	102	-64.1	-18.2	0	0	0	112.9
2058	D	32.7	Very low	32.6	Very low	149.6 Å²	149.6	125.7 Å²	125.7	80%	0.8	74%	0.735	S	S	*	*				111.5	165.3	83.1	-120.8	-11.5	0	0	0	116.5
2059	V	38.7	Very low	32.5	Very low	107.8 Å²	107.8	123.4 Å²	123.4	65%	0.653	73%	0.73	S	S	*	*			trans	74.9	109.4	149.6	169.6	0	0	0	0	116.7
2060	D	33.7	Very low	32.5	Very low	132.2 Å²	132.2	120.2 Å²	120.2	71%	0.707	72%	0.722	S	S	*	*				49.5	145.3	125.9	-81.9	-41.4	0	0	0	120.1
2061	H	35.8	Very low	32.6	Very low	158.2 Å²	158.2	124.5 Å²	124.5	73%	0.732	73%	0.729	S	S	*	*				159.7	127.7	104.8	-87.2	-25	0	0	0	116.3
2062	S	33.1	Very low	32.8	Very low	106.2 Å²	106.2	128.8 Å²	128.8	74%	0.743	74%	0.736	S	S	*	*			trans	36.3	133.1	142.3	61.3	0	0	0	0	117.9
2063	S	32.4	Very low	33.1	Very low	101.6 Å²	101.6	126.9 Å²	126.9	71%	0.71	73%	0.733	S	S	*	*				-143.5	144.5	112	58.3	0	0	0	0	111.4	T2065	S2063-T2065 PolarHBondContact O-N 3.26Å
2064	T	31.6	Very low	33.2	Very low	124.8 Å²	124.8	127.6 Å²	127.6	77%	0.766	74%	0.738	S	S	*	*			trans	54.5	110.2	141.7	-48.8	0	0	0	0	114.3	G2066	T2064-G2066 VanDerWaalsContact C-N 3.3Å; T2064-G2066 PolarHBondContact O-N 3.34Å
2065	T	32.3	Very low	33.2	Very low	130.6 Å²	130.6	125 Å²	125	80%	0.801	74%	0.736	S	S	*	*				-139.6	126.1	128.6	-32.9	0	0	0	0	112.2	E1466 S2063	E1466-T2065 HydrophobicContact CB-CG2 4.48Å; E1466-T2065 HydrophobicContact CG-CG2 3.92Å; E1466-T2065 WeakPolarHBondContact OE1-CA 3.32Å; E1466-T2065 WeakPolarHBondContact OE2-CA 3.49Å; E1466-T2065 WeakPolarHBondContact OE2-CG2 3.31Å; S2063-T2065 PolarHBondContact O-N 3.26Å
2066	G	32.8	Very low	33.4	Very low	65 Å²	65	126.6 Å²	126.6	67%	0.67	74%	0.739	S	S	*	*			trans	125	117.1	154.5	0	0	0	0	0	115	E1466 T2064	E1466-G2066 PolarHBondContact OE2-N 2.92Å; T2064-G2066 VanDerWaalsContact C-N 3.3Å; T2064-G2066 PolarHBondContact O-N 3.34Å
2067	A	31.4	Very low	33.4	Very low	87.6 Å²	87.6	125.2 Å²	125.2	72%	0.724	74%	0.737	S	S	*	*			cis	115.6	148.4	48.4	0	0	0	0	0	115.2
2068	I	34.7	Very low	33.4	Very low	162.2 Å²	162.2	124.4 Å²	124.4	83%	0.832	74%	0.736	S	S	*	*			trans	91.3	120.3	144.6	-28.5	165.3	0	0	0	117
2069	S	30.7	Very low	33.5	Very low	100 Å²	100	122.6 Å²	122.6	70%	0.699	73%	0.731	S	S	*	*			trans	68.8	124.7	130.3	-176.4	0	0	0	0	120.1
2070	S	30.6	Very low	33.4	Very low	86 Å²	86	123.8 Å²	123.8	60%	0.601	73%	0.733	S	S	*	*				125.3	161.9	83.3	62.6	0	0	0	0	117.3
2071	F	34.3	Very low	33.4	Very low	199.4 Å²	199.4	123.7 Å²	123.7	88%	0.875	73%	0.733	S	S	*	*			trans	86.6	126.6	148.8	-66.9	-71.1	0	0	0	120.5
2072	K	31.9	Very low	33.2	Very low	188.4 Å²	188.4	122.7 Å²	122.7	82%	0.819	73%	0.733	S	S	*	*			trans	-75.4	167.2	159.7	-101.4	-179.8	178.9	177.4	0	111.9
2073	P	35.9	Very low	33.1	Very low	117.4 Å²	117.4	123 Å²	123	76%	0.762	74%	0.735	S	S	*	*			cis	-135.1	172.7	45.4	30.2	-13	0	0	0	114.9
2074	S	31	Very low	33.2	Very low	103.4 Å²	103.4	122.3 Å²	122.3	72%	0.723	74%	0.736	S	S	*	*				78.5	140.9	99.3	-136.4	0	0	0	0	118
2075	A	33.2	Very low	33.2	Very low	84 Å²	84	122.5 Å²	122.5	69%	0.694	74%	0.737	S	S	*	*			trans	169.3	146.9	143.3	0	0	0	0	0	112.4
2076	E	35.2	Very low	33.3	Very low	166.4 Å²	166.4	121.6 Å²	121.6	78%	0.778	73%	0.733	S	S	*	*				165.8	153.4	95.8	-88.4	175.9	-152	0	0	113.5
2077	N	34.6	Very low	33.2	Very low	130.6 Å²	130.6	127.8 Å²	127.8	70%	0.698	74%	0.738	S	S	*	*			cis	-162.5	143.1	30.7	-109.9	-27.7	0	0	0	112.7
2078	V	35.3	Very low	33.2	Very low	111.8 Å²	111.8	130.2 Å²	130.2	68%	0.678	74%	0.737	S	S	*	*				72.9	125.6	97.2	166.6	0	0	0	0	116.7
2079	T	34	Very low	33.2	Very low	111.4 Å²	111.4	126.8 Å²	126.8	68%	0.683	73%	0.733	S	S	*	*			trans	87.2	141	131.5	50	0	0	0	0	117.3
2080	N	36.1	Very low	33.2	Very low	131.8 Å²	131.8	126.4 Å²	126.4	71%	0.705	73%	0.73	S	S	*	*				168.7	147	58.8	-91.9	-7.3	0	0	0	116.4
2081	N	33.6	Very low	33.3	Very low	130.4 Å²	130.4	128.8 Å²	128.8	70%	0.697	74%	0.736	S	S	*	*			trans	58.8	155.5	145.2	-65.3	20.9	0	0	0	119.6
2082	D	32.8	Very low	33.4	Very low	137.2 Å²	137.2	126 Å²	126	73%	0.734	73%	0.73	S	S	*	*				136.9	136.9	86.8	-89.7	-33.6	0	0	0	114
2083	S	31.5	Very low	33.4	Very low	112.2 Å²	112.2	123.8 Å²	123.8	79%	0.785	73%	0.727	S	S	*	*			trans	75.2	149.6	146.5	75.8	0	0	0	0	119.7
2084	A	33.4	Very low	33.4	Very low	88 Å²	88	123.5 Å²	123.5	73%	0.727	73%	0.725	S	S	*	*			trans	114.6	122.8	150.6	0	0	0	0	0	118.3
2085	T	32.1	Very low	33.5	Very low	129 Å²	129	124.2 Å²	124.2	79%	0.791	73%	0.725	S	S	*	*			trans	-23.3	158.9	140.8	57.2	0	0	0	0	114.9
2086	P	34.7	Very low	33.5	Very low	110.4 Å²	110.4	126.8 Å²	126.8	72%	0.717	73%	0.727	S	S	*	*			cis	-139.8	-175.5	37.6	32.9	-10.1	0	0	0	115.7
2087	Y	30	Very low	33.3	Very low	196.8 Å²	196.8	122.8 Å²	122.8	77%	0.772	72%	0.717	S	S	*	*				83.6	124.3	108.4	-100.7	-74.8	0	0	0	120.4	E2121	Y2087-E2121 HydrophobicContact CE1-CG 4.29Å
2088	I	32.4	Very low	33.2	Very low	137.6 Å²	137.6	123.2 Å²	123.2	71%	0.706	72%	0.719	S	S	*	*			trans	62.1	121.7	146.9	-52.4	177.5	0	0	0	118	A2119	I2088-A2119 HydrophobicContact CG2-CB 4.08Å
2089	A	33.5	Very low	33	Very low	90.4 Å²	90.4	125.9 Å²	125.9	75%	0.747	72%	0.721	S	S	*	*				150.7	151.6	114.8	0	0	0	0	0	114.5
2090	S	30.6	Very low	33	Very low	91 Å²	91	126 Å²	126	64%	0.636	72%	0.722	S	S	*	*			cis	153.9	156.2	-11.1	-145.4	0	0	0	0	112.8	N2117	S2090-N2117 PolarHBondContact OG-ND2 3.22Å; S2090-N2117 PolarHBondContact OG-OD1 3.18Å
2091	L	32.5	Very low	32.7	Very low	137.4 Å²	137.4	126.1 Å²	126.1	72%	0.719	72%	0.722	S	S	*	*			trans	51	133.2	162.2	-62.2	155.8	0	0	0	117	N2093	L2091-N2093 WeakPolarHBondContact CD2-ND2 3.27Å
2092	N	37.7	Very low	32.5	Very low	141.4 Å²	141.4	127.3 Å²	127.3	76%	0.756	73%	0.728	S	S	*	*			cis	-158.2	141.5	44.6	-72	-60	0	0	0	114.4
2093	N	31.7	Very low	32.3	Very low	141.6 Å²	141.6	125.7 Å²	125.7	76%	0.757	73%	0.728	S	S	*	*				-15.3	152.3	114.1	-86.4	-12.6	0	0	0	112.3	L2091 V2095	L2091-N2093 WeakPolarHBondContact CD2-ND2 3.27Å; N2093-V2095 HydrophobicContact CB-CG2 4.19Å
2094	P	35.8	Very low	32	Very low	111 Å²	111	126.5 Å²	126.5	72%	0.721	73%	0.732	S	S	*	*			cis	-140.7	-177.2	29	38	-21.1	0	0	0	114.7	D2096	P2094-D2096 PolarHBondContact O-N 3.05Å
2095	V	33	Very low	31.9	Very low	118.2 Å²	118.2	127 Å²	127	72%	0.716	73%	0.73	S	S	*	*			trans	52.1	132.1	132.7	164.8	0	0	0	0	115.3	N2093 S2097	N2093-V2095 HydrophobicContact CB-CG2 4.19Å; V2095-S2097 WeakPolarHBondContact CG1-OG 3.34Å
2096	D	33.8	Very low	32	Very low	138 Å²	138	126.2 Å²	126.2	74%	0.738	73%	0.725	S	S	*	*			trans	174	122.9	148.4	-90.4	-37.4	0	0	0	112.5	P2094	P2094-D2096 PolarHBondContact O-N 3.05Å
2097	S	30.5	Very low	31.9	Very low	81.8 Å²	81.8	128.8 Å²	128.8	57%	0.572	73%	0.727	S	S	*	*			cis	101.3	141.2	48.3	-126.6	0	0	0	0	115.5	V2095	V2095-S2097 WeakPolarHBondContact CG1-OG 3.34Å
2098	L	32.6	Very low	32.1	Very low	140 Å²	140	123.9 Å²	123.9	73%	0.733	72%	0.722	S	S	*	*			trans	57	139.6	162.5	-63.6	134.9	0	0	0	116.5
2099	K	30.7	Very low	32.3	Very low	168.4 Å²	168.4	125.1 Å²	125.1	73%	0.732	72%	0.724	S	S	*	*			cis	174.2	146.2	17.9	-150	172.7	-176.9	171.2	0	111.9
2100	T	33.8	Very low	32.2	Very low	112.4 Å²	112.4	127.5 Å²	127.5	69%	0.69	72%	0.723	S	S	*	*			trans	60.1	120.5	153.3	55.5	0	0	0	0	117.5
2101	N	30.5	Very low	32.3	Very low	135.6 Å²	135.6	128.5 Å²	128.5	73%	0.725	73%	0.726	S	S	*	*				78.3	126	67.3	-68.4	-21.1	0	0	0	115.9
2102	L	29.5	Very low	32.4	Very low	154.2 Å²	154.2	128.7 Å²	128.7	81%	0.807	73%	0.726	S	S	*	*				96.2	128.3	111.4	-82.1	141.8	0	0	0	112.8
2103	S	27.5	Very low	32.2	Very low	104.4 Å²	104.4	128 Å²	128	73%	0.73	73%	0.726	S	S	*	*				85.5	138	83.8	-59.8	0	0	0	0	114.3
2104	C	25.9	Very low	32.3	Very low	128.6 Å²	128.6	126.5 Å²	126.5	87%	0.869	72%	0.718	S	S	*	*			trans	-152.3	144.5	136.8	-86.8	0	0	0	0	112.5
2105	S	31.1	Very low	32.2	Very low	99.8 Å²	99.8	128.2 Å²	128.2	70%	0.698	72%	0.717	S	S	*	*				150.6	129.7	54	-163.6	0	0	0	0	112.2
2106	T	33.6	Very low	32.3	Very low	110.2 Å²	110.2	128.2 Å²	128.2	68%	0.676	72%	0.717	S	S	*	*				-71.2	154.9	108.6	25.6	0	0	0	0	115.2
2107	H	34	Very low	32.2	Very low	165.4 Å²	165.4	128.2 Å²	128.2	77%	0.766	72%	0.717	S	S	*	*				-137.2	170.6	62.5	-86.8	-90	0	0	0	112.8	E2109	H2107-E2109 IonicContact CE1-OE2 3.36Å; H2107-E2109 PolarHBondContact CE1-OE2 3.25Å; H2107-E2109 IonicContact CG-OE2 3.2Å; H2107-E2109 IonicContact ND1-OE2 2.67Å; H2107-E2109 PolarHBondContact ND1-OE2 3.13Å
2108	S	33.9	Very low	32.6	Very low	94.6 Å²	94.6	129.2 Å²	129.2	66%	0.662	72%	0.722	S	S	*	*			cis	-171.7	142.6	10.3	39	0	0	0	0	112.9
2109	E	35.1	Very low	32.5	Very low	162.6 Å²	162.6	126.4 Å²	126.4	76%	0.76	72%	0.718	S	S	*	*				162.6	139.5	63.9	-117.1	163.6	146.4	0	0	111.6	H2107	H2107-E2109 IonicContact CE1-OE2 3.36Å; H2107-E2109 PolarHBondContact CE1-OE2 3.25Å; H2107-E2109 IonicContact CG-OE2 3.2Å; H2107-E2109 IonicContact ND1-OE2 2.67Å; H2107-E2109 PolarHBondContact ND1-OE2 3.13Å
2110	I	32.7	Very low	32.7	Very low	141 Å²	141	126.8 Å²	126.8	72%	0.723	72%	0.72	S	S	*	*				44.3	139.2	69	-77.4	168.1	0	0	0	110.8
2111	T	33.2	Very low	32.6	Very low	112.4 Å²	112.4	127.9 Å²	127.9	69%	0.69	72%	0.718	S	S	*	*			cis	-177	145.5	22.1	-84.5	0	0	0	0	110.6
2112	I	32.8	Very low	32.8	Very low	141.6 Å²	141.6	127.6 Å²	127.6	73%	0.726	71%	0.714	S	S	*	*				64.3	123.5	96.5	-76.6	167.8	0	0	0	114.4
2113	V	34.7	Very low	32.9	Very low	125.6 Å²	125.6	125.6 Å²	125.6	76%	0.761	71%	0.709	S	S	*	*				-164.6	145.4	61.4	158.4	0	0	0	0	112.1
2114	N	33.5	Very low	33.2	Very low	110.2 Å²	110.2	125.7 Å²	125.7	59%	0.589	71%	0.705	S	S	*	*				55.9	147.6	117.7	-84.6	26.6	0	0	0	116.6	Y1885	Y1885-N2114 WeakPolarHBondContact CE2-ND2 2.96Å; Y1885-N2114 PolarHBondContact OH-ND2 3.48Å; Y1885-N2114 VanDerWaalsContact OH-ND2 3.07Å
2115	E	33.8	Very low	33.5	Very low	146.4 Å²	146.4	128.1 Å²	128.1	68%	0.684	70%	0.701	S	S	*	*			cis	155.3	146.6	39.7	-101.3	167.6	-171.4	0	0	116.1	Y1885	Y1885-E2115 PolarHBondContact OH-OE1 3.19Å
2116	T	35.5	Very low	33.6	Very low	118.6 Å²	118.6	128.3 Å²	128.3	73%	0.728	70%	0.7	S	S	*	*			trans	70.6	135.7	138.6	49.8	0	0	0	0	119.6
2117	N	30.3	Very low	33.3	Very low	137.6 Å²	137.6	127.9 Å²	127.9	74%	0.736	70%	0.702	S	S	*	*				55.9	155.3	79.9	-125.8	3.3	0	0	0	115.5	S2090	S2090-N2117 PolarHBondContact OG-ND2 3.22Å; S2090-N2117 PolarHBondContact OG-OD1 3.18Å
2118	P	39.3	Very low	33.5	Very low	104.2 Å²	104.2	124.7 Å²	124.7	68%	0.677	70%	0.696	S	S	*	*			cis	-131.2	-170.9	-33.1	39.2	-20.8	0	0	0	113.7
2119	A	30.9	Very low	33.4	Very low	79.6 Å²	79.6	129 Å²	129	66%	0.658	70%	0.702	S	S	*	*				111	145.7	103.9	0	0	0	0	0	118.6	I2088	I2088-A2119 HydrophobicContact CG2-CB 4.08Å
2120	K	34.3	Very low	33.2	Very low	178.2 Å²	178.2	127.2 Å²	127.2	78%	0.775	70%	0.698	S	S	*	*			trans	76.2	138.6	139.4	-75.6	-173.3	173.5	-142.7	0	119.2
2121	E	32.2	Very low	33.1	Very low	135 Å²	135	126.2 Å²	126.2	63%	0.631	69%	0.694	S	S	*	*			cis	150.8	162.2	14.9	-147	178.7	160.2	0	0	113.5	Y2087	Y2087-E2121 HydrophobicContact CE1-CG 4.29Å
2122	I	35.1	Very low	33	Very low	128.6 Å²	128.6	127 Å²	127	66%	0.659	69%	0.693	S	S	*	*			trans	72.4	100.8	160.2	-53.9	173.3	0	0	0	118.1	T2124	I2122-T2124 PolarHBondContact O-N 3.39Å; I2122-T2124 PolarHBondContact O-OG1 3.41Å
2123	T	32.3	Very low	32.9	Very low	113.4 Å²	113.4	128.3 Å²	128.3	70%	0.696	69%	0.694	S	S	*	*			trans	34.2	152.1	137.1	-52.5	0	0	0	0	116.7
2124	T	33.1	Very low	32.9	Very low	105.2 Å²	105.2	129.2 Å²	129.2	65%	0.645	69%	0.689	S	S	*	*				154.5	134.2	118.5	-20.1	0	0	0	0	114.6	I2122	I2122-T2124 PolarHBondContact O-N 3.39Å; I2122-T2124 PolarHBondContact O-OG1 3.41Å
2125	K	31.4	Very low	32.7	Very low	180.4 Å²	180.4	131.3 Å²	131.3	78%	0.784	70%	0.695	S	S	*	*			trans	-57.2	171.9	146.8	-67.1	-176	178.6	-179.3	0	115.5
2126	P	33.9	Very low	32.6	Very low	103.8 Å²	103.8	131.4 Å²	131.4	67%	0.674	70%	0.699	S	S	*	*			cis	-141.4	165.1	9.2	37.8	-18.8	0	0	0	117.5
2127	S	27.6	Very low	32.2	Very low	101.6 Å²	101.6	130.6 Å²	130.6	71%	0.71	70%	0.698	S	S	*	*			trans	30.8	178	151.8	-142.8	0	0	0	0	116.3	K2129	S2127-K2129 PolarHBondContact OG-N 3.25Å
2128	P	37.7	Very low	32.1	Very low	98.8 Å²	98.8	128.8 Å²	128.8	64%	0.642	70%	0.695	S	S	*	*				-137.3	171.1	-105.4	40.7	-23	0	0	0	117.1
2129	K	32.4	Very low	31.7	Very low	185 Å²	185	129.2 Å²	129.2	80%	0.804	70%	0.695	S	S	*	*			trans	114.9	136.7	144.3	-86.6	171.8	-179.2	-179.1	0	118.3	S2127	S2127-K2129 PolarHBondContact OG-N 3.25Å
2130	N	30.5	Very low	31.8	Very low	123.2 Å²	123.2	130.3 Å²	130.3	66%	0.659	70%	0.696	S	S	*	*			trans	57.9	148	136	-70.9	40.7	0	0	0	119.5
2131	D	31.3	Very low	31.5	Very low	120.2 Å²	120.2	127.4 Å²	127.4	64%	0.643	69%	0.693	S	S	*	*				119.9	136.1	99.9	-80.6	-21.5	0	0	0	117.7
2132	I	31.1	Very low	31.2	Very low	130.4 Å²	130.4	125.5 Å²	125.5	67%	0.669	70%	0.695	S	S	*	*				89.6	138.1	116.1	-74	165.6	0	0	0	115.8
2133	F	30.2	Very low	30.9	Very low	169 Å²	169	126.7 Å²	126.7	74%	0.741	70%	0.702	S	S	*	*			trans	87.4	146.1	157.9	-80.4	-80.5	0	0	0	117.6
2134	H	34.3	Very low	30.8	Very low	144.2 Å²	144.2	127.7 Å²	127.7	67%	0.668	70%	0.702	S	S	*	*			trans	110.6	142.5	154.8	-78.8	-52	0	0	0	114
2135	Q	30.1	Very low	30.5	Very low	153.2 Å²	153.2	131.6 Å²	131.6	72%	0.716	71%	0.71	S	S	*	*			cis	121	149.8	33.8	-146	-178.1	12.2	0	0	111.6
2136	I	30.7	Very low	30.3	Very low	150.2 Å²	150.2	127.8 Å²	127.8	77%	0.77	70%	0.702	S	S	*	*			trans	85.4	127.1	164.8	-50	169.5	0	0	0	113.2
2137	S	27.5	Very low	30.1	Very low	101.8 Å²	101.8	130.9 Å²	130.9	71%	0.712	71%	0.708	S	S	*	*				114.3	152.6	71.5	-169.3	0	0	0	0	114.8
2138	C	27.3	Very low	30.1	Very low	99.2 Å²	99.2	130.6 Å²	130.6	67%	0.67	71%	0.705	S	S	*	*			trans	92.3	129	153.1	-70.6	0	0	0	0	118.6	P2140 C2164 T2165	C2138-P2140 VanDerWaalsContact O-CD 3.23Å; C2138-P2140 WeakPolarHBondContact O-CD 3.48Å; C2138-C2164 WeakPolarHBondContact CA-O 3.37Å; C2138-C2164 VanDerWaalsContact CB-O 3.32Å; C2138-C2164 WeakPolarHBondContact CB-O 3.25Å; C2138-C2164 PolarHBondContact SG-O 3.18Å; C2138-T2165 HydrophobicContact CB-CG2 4.47Å
2139	V	31.9	Very low	29.7	Very low	111.4 Å²	111.4	131.8 Å²	131.8	68%	0.675	71%	0.711	S	S	*	*			trans	-88.1	144.8	154.6	169.4	0	0	0	0	109.8	V2163 C2164 T2165	V2139-V2163 HydrophobicContact CB-CG1 4.31Å; V2139-V2163 HydrophobicContact CG1-CG1 4.11Å; V2139-V2163 HydrophobicContact CG2-CB 4.19Å; V2139-V2163 HydrophobicContact CG2-CG1 3.68Å; V2139-C2164 WeakPolarHBondContact CG2-O 3.46Å; V2139-T2165 VanDerWaalsContact CB-OG1 3.24Å; V2139-T2165 WeakPolarHBondContact CB-OG1 3.46Å; V2139-T2165 WeakPolarHBondContact CG2-OG1 3.21Å
2140	P	32.5	Very low	29.6	Very low	103.2 Å²	103.2	128 Å²	128	67%	0.67	71%	0.708	S	S	*	*				-134.5	174.4	57.7	31.7	-12.9	0	0	0	112.4	C2138	C2138-P2140 VanDerWaalsContact O-CD 3.23Å; C2138-P2140 WeakPolarHBondContact O-CD 3.48Å
2141	T	28.7	Very low	29.5	Very low	117 Å²	117	128 Å²	128	72%	0.718	71%	0.712	S	S	*	*				85	119.6	75.9	-29.5	0	0	0	0	114.2
2142	S	26.5	Very low	29.5	Very low	95.6 Å²	95.6	128.2 Å²	128.2	67%	0.669	72%	0.718	S	S	*	*			trans	67.1	150	147.5	59.4	0	0	0	0	116.8
2143	L	28.8	Very low	29.3	Very low	153.6 Å²	153.6	126.4 Å²	126.4	80%	0.804	72%	0.716	S	S	*	*			trans	164.6	138.4	138.3	-89.7	163	0	0	0	112.5	F2145	L2143-F2145 PolarHBondContact O-N 3.41Å
2144	I	28.3	Very low	29.3	Very low	135.6 Å²	135.6	122.3 Å²	122.3	70%	0.695	71%	0.709	S	S	*	*			trans	63.2	125.4	138.8	-68.4	170.6	0	0	0	114.7	T2146	I2144-T2146 HydrophobicContact CG2-CG2 4.12Å
2145	F	27.3	Very low	29.1	Very low	187.2 Å²	187.2	122.7 Å²	122.7	82%	0.821	71%	0.711	S	S	*	*			trans	105.4	152.4	131.4	-120.5	-124.9	0	0	0	113.1	L2143	L2143-F2145 PolarHBondContact O-N 3.41Å
2146	T	28.3	Very low	28.9	Very low	100.2 Å²	100.2	121.6 Å²	121.6	62%	0.615	71%	0.71	S	S	*	*			trans	-173	161.5	155.2	31.6	0	0	0	0	116	I2144	I2144-T2146 HydrophobicContact CG2-CG2 4.12Å
2147	Q	28.9	Very low	28.9	Very low	168.8 Å²	168.8	119.6 Å²	119.6	79%	0.789	71%	0.709	S	S	*	*			trans	65.2	134	154.4	-71.1	170.7	35	0	0	116.4
2148	S	28.7	Very low	29	Very low	95.2 Å²	95.2	120.9 Å²	120.9	67%	0.666	71%	0.712	S	S	*	*				122.7	137.6	74.5	-67.3	0	0	0	0	115.1
2149	T	28.3	Very low	29	Very low	124 Å²	124	120.7 Å²	120.7	76%	0.761	71%	0.712	S	S	*	*				77.3	145.8	102.7	36.9	0	0	0	0	115.7
2150	S	29.5	Very low	28.8	Very low	104.6 Å²	104.6	124.9 Å²	124.9	73%	0.731	72%	0.722	S	S	*	*				107.8	142.2	127.7	54.2	0	0	0	0	116.9
2151	T	29.6	Very low	28.7	Very low	123.2 Å²	123.2	124.8 Å²	124.8	76%	0.756	72%	0.724	S	S	*	*				172.1	142	103.5	35.8	0	0	0	0	115.5
2152	V	30.2	Very low	28.8	Very low	125.2 Å²	125.2	124 Å²	124	76%	0.759	72%	0.722	S	S	*	*				72.7	120.5	117.6	-178.7	0	0	0	0	116.4
2153	S	28.4	Very low	29	Very low	91.2 Å²	91.2	125 Å²	125	64%	0.638	73%	0.725	S	S	*	*				96.2	155.7	87.5	129.3	0	0	0	0	115.6
2154	S	28.4	Very low	29.1	Very low	82.8 Å²	82.8	123 Å²	123	58%	0.579	72%	0.722	S	S	*	*				105.7	150.5	107.6	33.3	0	0	0	0	117.2
2155	H	30.1	Very low	29.2	Very low	153.2 Å²	153.2	121.5 Å²	121.5	71%	0.709	72%	0.719	S	S	*	*			trans	88.5	144.2	141.7	-71.4	-70.9	0	0	0	119.5
2156	D	27.9	Very low	29.2	Very low	131.2 Å²	131.2	121.1 Å²	121.1	70%	0.702	72%	0.718	S	S	*	*			trans	160.1	151.1	-171.3	-83.6	-53.6	0	0	0	116.9
2157	S	29.8	Very low	29.5	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	73%	0.726	S	S	*	*			trans	89.6	130	150.8	59	0	0	0	0	118.1
2158	V	28.6	Very low	29.6	Very low	129.6 Å²	129.6	122.2 Å²	122.2	79%	0.785	72%	0.724	S	S	*	*				-110.4	142.2	96	-136.4	0	0	0	0	115.1
2159	S	28.1	Very low	29.8	Very low	95.8 Å²	95.8	125.5 Å²	125.5	67%	0.67	73%	0.733	S	S	*	*				54.1	132.2	125.3	-172.9	0	0	0	0	118.5
2160	F	28.5	Very low	30.1	Very low	198.6 Å²	198.6	125.6 Å²	125.6	87%	0.871	73%	0.727	S	S	*	*			trans	-134.7	140	143.2	-78.3	-86.1	0	0	0	111
2161	S	28.7	Very low	30.3	Very low	101.4 Å²	101.4	128.1 Å²	128.1	71%	0.709	73%	0.733	S	S	*	*				154.2	129.9	79.9	157.1	0	0	0	0	112.1
2162	S	31.7	Very low	30.4	Very low	99.4 Å²	99.4	127.1 Å²	127.1	70%	0.695	73%	0.731	S	S	*	*			trans	-160.8	105	156.9	-178.6	0	0	0	0	109.6	C2164	S2162-C2164 PolarHBondContact O-N 3.4Å; S2162-C2164 PolarHBondContact OG-SG 3.46Å
2163	V	30.7	Very low	30.6	Very low	117.8 Å²	117.8	126.3 Å²	126.3	71%	0.714	73%	0.728	S	S	*	*			trans	8.4	99.9	132.1	-165.4	0	0	0	0	112.7	V2139 T2165	V2139-V2163 HydrophobicContact CB-CG1 4.31Å; V2139-V2163 HydrophobicContact CG1-CG1 4.11Å; V2139-V2163 HydrophobicContact CG2-CB 4.19Å; V2139-V2163 HydrophobicContact CG2-CG1 3.68Å; V2163-T2165 PolarHBondContact O-N 2.85Å
2164	C	30.2	Very low	30.8	Very low	110.8 Å²	110.8	129.5 Å²	129.5	75%	0.749	74%	0.737	S	S	*	*			trans	-142.4	123.3	148.5	-73.3	0	0	0	0	111.2	C2138 V2139 S2162	C2138-C2164 WeakPolarHBondContact CA-O 3.37Å; C2138-C2164 VanDerWaalsContact CB-O 3.32Å; C2138-C2164 WeakPolarHBondContact CB-O 3.25Å; C2138-C2164 PolarHBondContact SG-O 3.18Å; V2139-C2164 WeakPolarHBondContact CG2-O 3.46Å; S2162-C2164 PolarHBondContact O-N 3.4Å; S2162-C2164 PolarHBondContact OG-SG 3.46Å
2165	T	30.5	Very low	31	Very low	104.2 Å²	104.2	131.3 Å²	131.3	64%	0.639	74%	0.744	S	S	*	*				-157.2	136.9	99.1	-60.5	0	0	0	0	110.5	C2138 V2139 V2163	C2138-T2165 HydrophobicContact CB-CG2 4.47Å; V2139-T2165 VanDerWaalsContact CB-OG1 3.24Å; V2139-T2165 WeakPolarHBondContact CB-OG1 3.46Å; V2139-T2165 WeakPolarHBondContact CG2-OG1 3.21Å; V2163-T2165 PolarHBondContact O-N 2.85Å
2166	F	28	Very low	31.3	Very low	179 Å²	179	131.2 Å²	131.2	79%	0.785	75%	0.749	S	S	*	*			trans	-34	152.1	163	-70.7	-76.5	0	0	0	115.2	K2168	F2166-K2168 HydrophobicContact CB-CB 4.25Å; F2166-K2168 HydrophobicContact CD1-CB 4.21Å; F2166-K2168 HydrophobicContact CE1-CB 4.45Å; F2166-K2168 HydrophobicContact CG-CB 4.42Å; F2166-K2168 PolarHBondContact O-N 2.69Å; F2166-K2168 VanDerWaalsContact O-N 3.16Å
2167	P	34.1	Very low	31.5	Very low	122.8 Å²	122.8	130.8 Å²	130.8	80%	0.797	75%	0.746	S	S	*	*				-116.8	142.5	69.9	36.6	-29	0	0	0	115.7	L2169	P2167-L2169 PolarHBondContact O-N 2.59Å
2168	K	32.2	Very low	31.8	Very low	169.4 Å²	169.4	132.4 Å²	132.4	74%	0.737	75%	0.746	S	S	*	*			trans	-113.8	108.4	174.3	-178	-178.6	-177.9	178.9	0	109.1	F2166 I2170	F2166-K2168 HydrophobicContact CB-CB 4.25Å; F2166-K2168 HydrophobicContact CD1-CB 4.21Å; F2166-K2168 HydrophobicContact CE1-CB 4.45Å; F2166-K2168 HydrophobicContact CG-CB 4.42Å; F2166-K2168 PolarHBondContact O-N 2.69Å; F2166-K2168 VanDerWaalsContact O-N 3.16Å; K2168-I2170 HydrophobicContact CG-CG1 4.42Å; K2168-I2170 WeakPolarHBondContact O-CD1 3.35Å; K2168-I2170 WeakPolarHBondContact O-CG1 3.42Å; K2168-I2170 PolarHBondContact O-N 3.13Å
2169	L	33.1	Very low	32.1	Very low	163.8 Å²	163.8	135.2 Å²	135.2	86%	0.858	75%	0.748	S	S	*	*			trans	-106.1	109.5	171.8	-71.9	172.7	0	0	0	108.1	P2167	P2167-L2169 PolarHBondContact O-N 2.59Å
2170	I	34.1	Very low	32.3	Very low	126 Å²	126	136.2 Å²	136.2	65%	0.646	75%	0.752	S	S	*	*				46.7	114.4	96.9	-57.8	173.1	0	0	0	109.6	K2168	K2168-I2170 HydrophobicContact CG-CG1 4.42Å; K2168-I2170 WeakPolarHBondContact O-CD1 3.35Å; K2168-I2170 WeakPolarHBondContact O-CG1 3.42Å; K2168-I2170 PolarHBondContact O-N 3.13Å
2171	N	33.7	Very low	32.6	Very low	158 Å²	158	132.9 Å²	132.9	85%	0.845	75%	0.748	S	S	*	*			trans	-167	124.1	146.6	-94.2	-31	0	0	0	111.4
2172	S	31.7	Very low	32.7	Very low	102.6 Å²	102.6	134.2 Å²	134.2	72%	0.717	75%	0.747	S	S	*	*			trans	-95.6	-176.3	158.9	-10.1	0	0	0	0	109.6
2173	P	34.6	Very low	32.7	Very low	107.4 Å²	107.4	137.4 Å²	137.4	70%	0.697	75%	0.749	S	S	*	*			cis	-130.5	176.6	-29.8	34	-13.8	0	0	0	115.1
2174	L	32.9	Very low	32.8	Very low	158.2 Å²	158.2	140.6 Å²	140.6	83%	0.828	75%	0.753	S	S	*	*			trans	78.4	116.6	153.6	-71.3	165.5	0	0	0	116.3
2175	V	32.8	Very low	32.9	Very low	120.4 Å²	120.4	139.3 Å²	139.3	73%	0.73	75%	0.751	S	S	*	*				-172	129.9	110.8	167.9	0	0	0	0	110.8
2176	L	34.6	Very low	33	Very low	152.8 Å²	152.8	143.4 Å²	143.4	80%	0.8	75%	0.754	S	S	*	*			trans	-151	131.8	146.2	-131.1	75.8	0	0	0	111
2177	D	33.6	Very low	33.3	Very low	121.6 Å²	121.6	141.1 Å²	141.1	65%	0.65	75%	0.746	S	S	*	*				-167.7	153.4	124.9	-116.9	-17.1	0	0	0	115.3	K2179	D2177-K2179 IonicContact OD1-NZ 2.93Å; D2177-K2179 PolarHBondContact OD1-NZ 2.81Å
2178	N	35.9	Very low	33.3	Very low	140.8 Å²	140.8	143.7 Å²	143.7	75%	0.753	75%	0.745	S	S	*	*			trans	-126	127	148.7	-78.5	-60.9	0	0	0	115.3
2179	K	34.4	Very low	33.1	Very low	188.8 Å²	188.8	140.5 Å²	140.5	82%	0.821	74%	0.743	S	S	*	*			trans	-80.6	157.1	134.9	-95.9	-176.9	-179.4	166	0	114.6	D2177	D2177-K2179 IonicContact OD1-NZ 2.93Å; D2177-K2179 PolarHBondContact OD1-NZ 2.81Å
2180	P	33.3	Very low	33.3	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	74%	0.735	S	S	*	*			trans	-105.1	154.2	-147.2	35.8	-31.1	0	0	0	114.8
2181	V	34	Very low	33.2	Very low	128.4 Å²	128.4	140.1 Å²	140.1	78%	0.778	74%	0.744	S	S	*	*			trans	-155.3	124.8	160.9	-174.5	0	0	0	0	110.3	F2183	V2181-F2183 HydrophobicContact CG1-CD2 3.95Å; V2181-F2183 VanDerWaalsContact CG1-CD2 3.43Å; V2181-F2183 HydrophobicContact CG1-CE2 3.63Å
2182	N	30.4	Very low	33.1	Very low	128.2 Å²	128.2	138.3 Å²	138.3	69%	0.686	74%	0.739	S	S	*	*			trans	70.2	139.3	155.3	-131.2	-23.7	0	0	0	114.6	K2184	N2182-K2184 PolarHBondContact O-N 3.03Å
2183	F	32.3	Very low	33.2	Very low	167 Å²	167	139.6 Å²	139.6	73%	0.732	74%	0.742	S	S	*	*			trans	-147.2	121.9	166.1	-76.9	-67.3	0	0	0	114.9	V2181	V2181-F2183 HydrophobicContact CG1-CD2 3.95Å; V2181-F2183 VanDerWaalsContact CG1-CD2 3.43Å; V2181-F2183 HydrophobicContact CG1-CE2 3.63Å
2184	K	31.7	Very low	32.9	Very low	185.4 Å²	185.4	141.4 Å²	141.4	81%	0.806	74%	0.744	S	S	*	*			trans	-101.4	124	139.5	-95.9	172.7	-177.8	175	0	113.9	N2182	N2182-K2184 PolarHBondContact O-N 3.03Å
2185	A	32.4	Very low	32.9	Very low	84.2 Å²	84.2	142.2 Å²	142.2	70%	0.696	74%	0.744	S	S	*	*			trans	-156.9	134.8	148.2	0	0	0	0	0	109.4
2186	R	32.7	Very low	32.8	Very low	189.8 Å²	189.8	142.1 Å²	142.1	72%	0.716	74%	0.743	S	S	*	*				91.3	139.4	72.7	-140.6	-171	179.7	-167.2	5.3	111.7	K2188	R2186-K2188 PolarHBondContact O-N 2.94Å
2187	E	34.3	Very low	32.6	Very low	130.6 Å²	130.6	141.2 Å²	141.2	61%	0.61	74%	0.739	S	S	*	*				-113.1	148	127.1	-67.6	-178.8	147.4	0	0	115.1
2188	K	34.3	Very low	32.5	Very low	176.8 Å²	176.8	143.2 Å²	143.2	77%	0.769	74%	0.744	S	S	*	*				126.8	141.8	127.4	-79.4	169.5	-176.8	168.1	0	113.5	R2186	R2186-K2188 PolarHBondContact O-N 2.94Å
2189	S	29.1	Very low	32.5	Very low	102.2 Å²	102.2	140.9 Å²	140.9	72%	0.715	74%	0.744	S	S	*	*				-163.2	160.5	80.1	-161.6	0	0	0	0	111.4
2190	P	35.7	Very low	32.4	Very low	104.2 Å²	104.2	138.3 Å²	138.3	68%	0.677	74%	0.744	S	S	*	*				-118.5	177	-59	27.4	-10.2	0	0	0	112.8
2191	E	32.7	Very low	32.6	Very low	178.2 Å²	178.2	137.6 Å²	137.6	83%	0.833	74%	0.74	S	S	*	*				89.3	133.8	112.7	-133.7	165.1	-174.3	0	0	116.7
2192	T	32.2	Very low	32.6	Very low	119.8 Å²	119.8	142.5 Å²	142.5	74%	0.735	74%	0.744	S	S	*	*			trans	-140	140.5	159.1	49.6	0	0	0	0	114.1
2193	V	32.5	Very low	32.6	Very low	130.4 Å²	130.4	144.4 Å²	144.4	79%	0.79	75%	0.749	S	S	*	*				77.5	134.4	127.8	-178.1	0	0	0	0	110.8
2194	I	29.8	Very low	32.7	Very low	145.4 Å²	145.4	142.4 Å²	142.4	75%	0.746	75%	0.751	S	S	*	*				-135.2	139.4	98.6	-57.9	167.8	0	0	0	110.8	V2196	I2194-V2196 HydrophobicContact CG2-CG2 4.34Å
2195	Q	31.2	Very low	32.5	Very low	174.8 Å²	174.8	138.9 Å²	138.9	82%	0.817	75%	0.749	S	S	*	*			trans	94.2	127.9	155.9	-130.8	168	-4.2	0	0	115.2
2196	V	31	Very low	32.5	Very low	118.6 Å²	118.6	142.7 Å²	142.7	72%	0.719	76%	0.756	S	S	*	*				-123.5	141.4	126.1	171.1	0	0	0	0	110	I2194	I2194-V2196 HydrophobicContact CG2-CG2 4.34Å
2197	D	30.6	Very low	32.5	Very low	133.4 Å²	133.4	138 Å²	138	71%	0.713	75%	0.752	S	S	*	*			trans	-116	153.7	155	-106.3	-50.4	0	0	0	112.8
2198	H	32.3	Very low	32.4	Very low	163 Å²	163	139.2 Å²	139.2	76%	0.755	76%	0.763	S	S	*	*			trans	-134.5	133.8	132.3	-80.5	-67.1	0	0	0	114.9
2199	A	35.8	Very low	32.4	Very low	92 Å²	92	137.2 Å²	137.2	76%	0.76	77%	0.765	S	S	*	*			trans	-139.8	122.1	151	0	0	0	0	0	116.1
2200	V	32.8	Very low	32.5	Very low	134.6 Å²	134.6	140.6 Å²	140.6	82%	0.816	77%	0.767	S	S	*	*				-99.8	146.7	123.2	160.6	0	0	0	0	111.2
2201	P	37.1	Very low	32.3	Very low	103.4 Å²	103.4	140.8 Å²	140.8	67%	0.671	77%	0.768	S	S	*	*			cis	-129.1	-171.5	-12.1	36.1	-17.5	0	0	0	115
2202	R	32.8	Very low	32.1	Very low	230 Å²	230	139.8 Å²	139.8	87%	0.868	77%	0.766	S	S	*	*			trans	123.4	146	145.6	-86.4	170	168.4	151.6	-1.4	115.5
2203	Q	31.6	Very low	32.2	Very low	168 Å²	168	140 Å²	140	79%	0.785	77%	0.767	S	S	*	*				-123.3	146.6	93.6	-96.5	168.7	-29.5	0	0	112.3
2204	T	33.4	Very low	31.9	Very low	126.4 Å²	126.4	138.4 Å²	138.4	78%	0.775	76%	0.761	S	S	*	*			trans	-153.2	144.3	131.7	23.5	0	0	0	0	115
2205	C	27.5	Very low	31.9	Very low	112 Å²	112	139.1 Å²	139.1	76%	0.757	76%	0.764	S	S	*	*			trans	-145.9	149.9	137.6	-68.7	0	0	0	0	114.5
2206	L	32.1	Very low	31.7	Very low	163 Å²	163	136.1 Å²	136.1	85%	0.853	76%	0.762	S	S	*	*				140.3	140	128.1	-82.2	160.4	0	0	0	114.7
2207	S	33.7	Very low	31.6	Very low	91.2 Å²	91.2	135.6 Å²	135.6	64%	0.638	76%	0.764	S	S	*	*				99.4	130.7	109	60	0	0	0	0	118.2	V2209	S2207-V2209 PolarHBondContact O-N 3.31Å
2208	N	32.2	Very low	31.5	Very low	155.4 Å²	155.4	134.1 Å²	134.1	83%	0.831	76%	0.764	S	S	*	*			trans	57.4	106.8	134.6	-61.2	-4.7	0	0	0	120.5
2209	V	34.4	Very low	31.4	Very low	134.6 Å²	134.6	134.7 Å²	134.7	82%	0.816	77%	0.769	S	S	*	*			trans	132.6	122.1	131.6	-171	0	0	0	0	114.6	S2207 P2211	S2207-V2209 PolarHBondContact O-N 3.31Å; V2209-P2211 HydrophobicContact CG1-CG 4.43Å
2210	K	31	Very low	31.2	Very low	173.4 Å²	173.4	135.5 Å²	135.5	75%	0.754	77%	0.769	S	S	*	*			trans	82.5	128	145.3	-139.8	-179.5	-179	-177.3	0	116	N1634 M2212	N1634-K2210 PolarHBondContact ND2-NZ 3Å; N1634-K2210 VanDerWaalsContact ND2-NZ 3.17Å; N1634-K2210 PolarHBondContact OD1-NZ 2.95Å; K2210-M2212 HydrophobicContact CD-CG 4.24Å; K2210-M2212 HydrophobicContact CD-SD 4.08Å; K2210-M2212 VanDerWaalsContact CE-SD 3.57Å; K2210-M2212 HydrophobicContact CG-CG 4.45Å; K2210-M2212 PolarHBondContact NZ-SD 3.1Å
2211	P	31.5	Very low	31.1	Very low	108.4 Å²	108.4	137.4 Å²	137.4	70%	0.704	77%	0.774	S	S	*	*			trans	-113.2	141.3	-159.6	33.1	-20.5	0	0	0	113.2	V2209 T2213	V2209-P2211 HydrophobicContact CG1-CG 4.43Å; P2211-T2213 PolarHBondContact O-N 2.84Å
2212	M	29.3	Very low	31	Very low	157.4 Å²	157.4	140.2 Å²	140.2	78%	0.775	78%	0.783	S	S	*	*			trans	-63.9	108.2	142.7	-76.9	-179.3	66.3	0	0	112.5	K2210 S2214	K2210-M2212 HydrophobicContact CD-CG 4.24Å; K2210-M2212 HydrophobicContact CD-SD 4.08Å; K2210-M2212 VanDerWaalsContact CE-SD 3.57Å; K2210-M2212 HydrophobicContact CG-CG 4.45Å; K2210-M2212 PolarHBondContact NZ-SD 3.1Å; M2212-S2214 PolarHBondContact O-N 3.03Å
2213	T	33	Very low	31.1	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	78%	0.777	S	S	*	*			trans	-130.5	106.3	145.6	13.1	0	0	0	0	109.9	P2211 M2215	P2211-T2213 PolarHBondContact O-N 2.84Å; T2213-M2215 HydrophobicContact CG2-CG 4.43Å
2214	S	27.3	Very low	31.4	Very low	95.4 Å²	95.4	134 Å²	134	67%	0.667	78%	0.776	S	S	*	*			trans	-55.9	99.6	140.9	-28.8	0	0	0	0	113.6	N1632 M2212	N1632-S2214 WeakPolarHBondContact O-CB 3.24Å; N1632-S2214 PolarHBondContact O-OG 3.47Å; M2212-S2214 PolarHBondContact O-N 3.03Å
2215	M	29.7	Very low	32	Very low	161.6 Å²	161.6	131.9 Å²	131.9	80%	0.796	76%	0.764	S	S	*	*			trans	83.3	126	157.4	-62.3	-143.7	79.3	0	0	116.3	T2213	T2213-M2215 HydrophobicContact CG2-CG 4.43Å
2216	S	26.7	Very low	33.3	Very low	110.8 Å²	110.8	130.4 Å²	130.4	78%	0.775	75%	0.752	S	S	*	*			trans	-108	118.4	163.7	-51.1	0	0	0	0	114.6	S2218	S2216-S2218 PolarHBondContact O-N 3.41Å
2217	S	29.3	Very low	34.5	Very low	109.4 Å²	109.4	129 Å²	129	77%	0.765	74%	0.741	S	S	*	*			trans	-127.1	100	155	53.3	0	0	0	0	111.9	M2219	S2217-M2219 PolarHBondContact O-N 3.37Å; S2217-M2219 VanDerWaalsContact O-N 3.08Å
2218	S	27.3	Very low	35.9	Very low	101.6 Å²	101.6	128.9 Å²	128.9	71%	0.71	74%	0.736	S	S	*	*			trans	-57.2	92.4	161.3	59.1	0	0	0	0	113.2	S2216 S2220	S2216-S2218 PolarHBondContact O-N 3.41Å; S2218-S2220 PolarHBondContact O-N 3.35Å
2219	M	31.5	Very low	37.7	Very low	175 Å²	175	126.9 Å²	126.9	86%	0.862	72%	0.722	S	S	*	*			trans	-73.5	128.4	162.4	-64.4	-126.8	91.9	0	0	109.6	S2217 L2221	S2217-M2219 PolarHBondContact O-N 3.37Å; S2217-M2219 VanDerWaalsContact O-N 3.08Å; M2219-L2221 PolarHBondContact O-N 3.24Å
2220	S	30.3	Very low	39.3	Very low	108.8 Å²	108.8	123.7 Å²	123.7	76%	0.761	70%	0.7	S	S	*	*			trans	-76.7	111.7	173.1	-61.1	0	0	0	0	113.9	S2218 N2222	S2218-S2220 PolarHBondContact O-N 3.35Å; S2220-N2222 VanDerWaalsContact C-N 3.26Å; S2220-N2222 PolarHBondContact O-N 3.07Å; S2220-N2222 VanDerWaalsContact O-N 3.08Å
2221	L	31.2	Very low	41.5	Very low	174.4 Å²	174.4	119.8 Å²	119.8	91%	0.913	69%	0.686	S	S	*	*	S	Bend	trans	-71.1	86.2	168	-72.3	159.9	0	0	0	111.4	M2219	M2219-L2221 PolarHBondContact O-N 3.24Å
2222	N	34.1	Very low	43.9	Very low	162.2 Å²	162.2	118 Å²	118	87%	0.867	67%	0.673	S	S	*	*			trans	-168.2	43.3	170.6	-131	4.1	0	0	0	115.5	S2220	S2220-N2222 VanDerWaalsContact C-N 3.26Å; S2220-N2222 PolarHBondContact O-N 3.07Å; S2220-N2222 VanDerWaalsContact O-N 3.08Å
2223	S	36	Very low	46.3	Very low	107.8 Å²	107.8	117.6 Å²	117.6	75%	0.754	66%	0.663	S	S	*	*			trans	-124.7	119.7	156.6	59.2	0	0	0	0	109.8
2224	Q	38.6	Very low	48.9	Very low	160.6 Å²	160.6	118.4 Å²	118.4	75%	0.75	65%	0.653	S	S	*	*			trans	-63.2	130.1	177.4	-165	177	7.8	0	0	109.5	K1805 T2226	K1805-Q2224 HydrophobicContact CB-CG 4.01Å; K1805-Q2224 HydrophobicContact CD-CB 3.65Å; K1805-Q2224 HydrophobicContact CD-CG 3.71Å; K1805-Q2224 HydrophobicContact CG-CB 4.42Å; K1805-Q2224 HydrophobicContact CG-CG 3.95Å; K1805-Q2224 PolarHBondContact NZ-O 3.01Å; Q2224-T2226 PolarHBondContact O-N 3.07Å; Q2224-T2226 VanDerWaalsContact O-N 3.08Å
2225	P	44.8	Very low	51.8	Low	82.8 Å²	82.8	117.2 Å²	117.2	54%	0.538	64%	0.641	S	S	.	*			trans	-66.8	111.2	179.3	17.8	-21.3	0	0	0	109.7	K1805 E2227 D2230	K1805-P2225 VanDerWaalsContact CD-C 3.49Å; K1805-P2225 VanDerWaalsContact CD-O 3.25Å; K1805-P2225 WeakPolarHBondContact CD-O 3.46Å; P2225-E2227 PolarHBondContact O-N 3.05Å; P2225-D2230 VanDerWaalsContact CB-OD2 3.24Å; P2225-D2230 WeakPolarHBondContact CB-OD2 3.35Å
2226	T	56	Low	54.5	Low	80.2 Å²	80.2	114.7 Å²	114.7	49%	0.492	63%	0.628	S	S	.	*			trans	-68.8	133.8	173.1	12.6	0	0	0	0	109	K1805 I1808 Q2224 V2228 H2229 D2230	K1805-T2226 PolarHBondContact NZ-OG1 3.42Å; I1808-T2226 HydrophobicContact CB-CG2 3.98Å; I1808-T2226 HydrophobicContact CG2-CG2 3.44Å; I1808-T2226 VanDerWaalsContact CG2-CG2 3.44Å; Q2224-T2226 PolarHBondContact O-N 3.07Å; Q2224-T2226 VanDerWaalsContact O-N 3.08Å; T2226-V2228 HydrophobicContact CG2-CG2 4.19Å; T2226-V2228 PolarHBondContact O-N 3.21Å; T2226-H2229 WeakPolarHBondContact O-CA 3.42Å; T2226-H2229 VanDerWaalsContact O-CB 3.3Å; T2226-H2229 WeakPolarHBondContact O-CB 3.37Å; T2226-H2229 PolarHBondContact O-N 2.97Å; T2226-D2230 PolarHBondContact O-N 3.07Å
2227	E	56.9	Low	57.3	Low	133 Å²	133	111.5 Å²	111.5	62%	0.621	61%	0.606	S	S	*	*	H	α-helix	trans	-46	-37.3	-177.8	-170	176.8	-163	0	0	113.5	T1807 P2225 H2229 D2230 I2231	T1807-E2227 VanDerWaalsContact CB-CB 3.41Å; T1807-E2227 WeakPolarHBondContact CB-OE1 3.22Å; T1807-E2227 HydrophobicContact CG2-CB 3.56Å; T1807-E2227 HydrophobicContact CG2-CG 4.01Å; T1807-E2227 VanDerWaalsContact CG2-OE1 3.24Å; T1807-E2227 WeakPolarHBondContact CG2-OE1 3.2Å; T1807-E2227 VanDerWaalsContact OG1-CD 3.26Å; T1807-E2227 PolarHBondContact OG1-OE1 3.48Å; T1807-E2227 PolarHBondContact OG1-OE2 3.05Å; P2225-E2227 PolarHBondContact O-N 3.05Å; E2227-H2229 VanDerWaalsContact C-N 3.32Å; E2227-H2229 PolarHBondContact O-N 2.99Å; E2227-D2230 PolarHBondContact O-N 3.09Å; E2227-D2230 VanDerWaalsContact O-N 3.15Å; E2227-I2231 HydrophobicContact CG-CD1 3.89Å; E2227-I2231 HydrophobicContact CG-CG1 4.26Å; E2227-I2231 WeakPolarHBondContact O-CB 3.34Å; E2227-I2231 VanDerWaalsContact O-CG1 3.22Å; E2227-I2231 WeakPolarHBondContact O-CG1 3.37Å; E2227-I2231 PolarHBondContact O-N 3.18Å
2228	V	62.1	Low	60.2	Low	88.6 Å²	88.6	108.5 Å²	108.5	54%	0.537	58%	0.583	S	S	.	*	H	α-helix	trans	-56.1	-38.3	174.2	-173.3	0	0	0	0	113.4	I1808 T1810 T2226 I2231 T2232	I1808-V2228 HydrophobicContact CG2-CG2 3.69Å; T1810-V2228 HydrophobicContact CG2-CG1 4.41Å; T1810-V2228 HydrophobicContact CG2-CG2 3.59Å; T2226-V2228 HydrophobicContact CG2-CG2 4.19Å; T2226-V2228 PolarHBondContact O-N 3.21Å; V2228-I2231 PolarHBondContact O-N 3.28Å; V2228-T2232 VanDerWaalsContact O-CB 3.31Å; V2228-T2232 WeakPolarHBondContact O-CB 3.31Å; V2228-T2232 VanDerWaalsContact O-CG2 3.27Å; V2228-T2232 WeakPolarHBondContact O-CG2 3.33Å; V2228-T2232 PolarHBondContact O-N 3.2Å; V2228-T2232 PolarHBondContact O-OG1 3.36Å; V2228-T2232 VanDerWaalsContact O-OG1 3.11Å
2229	H	69.9	Low	63.2	Low	114.2 Å²	114.2	107.4 Å²	107.4	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-73.2	-34.1	178.6	-106.7	76.4	0	0	0	112.5	T2226 E2227 T2232 R2233	T2226-H2229 WeakPolarHBondContact O-CA 3.42Å; T2226-H2229 VanDerWaalsContact O-CB 3.3Å; T2226-H2229 WeakPolarHBondContact O-CB 3.37Å; T2226-H2229 PolarHBondContact O-N 2.97Å; E2227-H2229 VanDerWaalsContact C-N 3.32Å; E2227-H2229 PolarHBondContact O-N 2.99Å; H2229-T2232 VanDerWaalsContact CA-OG1 3.32Å; H2229-T2232 WeakPolarHBondContact CA-OG1 3.32Å; H2229-T2232 PolarHBondContact O-N 2.92Å; H2229-T2232 PolarHBondContact O-OG1 3.04Å; H2229-T2232 VanDerWaalsContact O-OG1 3.07Å; H2229-R2233 PolarHBondContact NE2-NE 2.94Å; H2229-R2233 VanDerWaalsContact O-CB 3.24Å; H2229-R2233 WeakPolarHBondContact O-CB 3.19Å; H2229-R2233 WeakPolarHBondContact O-CG 3.22Å; H2229-R2233 PolarHBondContact O-N 3.21Å; H2229-R2233 PolarHBondContact O-NE 3.25Å
2230	D	69.6	Low	65.8	Low	68 Å²	68	104.1 Å²	104.1	36%	0.364	55%	0.55	S	S	.	*	H	α-helix	trans	-78.7	-34.1	175.3	-72.9	-27.4	0	0	0	111.6	P2225 T2226 E2227 T2232 R2233 Y2234	P2225-D2230 VanDerWaalsContact CB-OD2 3.24Å; P2225-D2230 WeakPolarHBondContact CB-OD2 3.35Å; T2226-D2230 PolarHBondContact O-N 3.07Å; E2227-D2230 PolarHBondContact O-N 3.09Å; E2227-D2230 VanDerWaalsContact O-N 3.15Å; D2230-T2232 VanDerWaalsContact C-N 3.35Å; D2230-R2233 PolarHBondContact O-N 3.25Å; D2230-R2233 IonicContact OD1-CZ 3.02Å; D2230-R2233 IonicContact OD1-NE 3.49Å; D2230-R2233 PolarHBondContact OD1-NE 3.02Å; D2230-R2233 IonicContact OD1-NH2 3.14Å; D2230-R2233 PolarHBondContact OD1-NH2 3.26Å; D2230-Y2234 WeakPolarHBondContact O-CA 3.14Å; D2230-Y2234 WeakPolarHBondContact O-CB 3.23Å; D2230-Y2234 PolarHBondContact O-N 3.24Å
2231	I	77.2	Confident	68.4	Low	90.4 Å²	90.4	105 Å²	105	46%	0.464	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-46.1	167.9	-69.7	170	0	0	0	110.7	E2227 V2228 R2233 Y2234 V2235	E2227-I2231 HydrophobicContact CG-CD1 3.89Å; E2227-I2231 HydrophobicContact CG-CG1 4.26Å; E2227-I2231 WeakPolarHBondContact O-CB 3.34Å; E2227-I2231 VanDerWaalsContact O-CG1 3.22Å; E2227-I2231 WeakPolarHBondContact O-CG1 3.37Å; E2227-I2231 PolarHBondContact O-N 3.18Å; V2228-I2231 PolarHBondContact O-N 3.28Å; I2231-R2233 PolarHBondContact O-N 2.66Å; I2231-Y2234 PolarHBondContact O-N 3.32Å; I2231-V2235 HydrophobicContact CG2-CG2 4.24Å; I2231-V2235 VanDerWaalsContact O-CB 3.26Å; I2231-V2235 WeakPolarHBondContact O-CB 3.31Å; I2231-V2235 VanDerWaalsContact O-CG2 3.27Å; I2231-V2235 WeakPolarHBondContact O-CG2 3.32Å; I2231-V2235 PolarHBondContact O-N 3.12Å
2232	T	81.2	Confident	71.2	Confident	69.8 Å²	69.8	99.3 Å²	99.3	43%	0.428	51%	0.51	S	S	.	.	H	α-helix	trans	-66.2	-40.6	178.8	34	0	0	0	0	112.1	V2228 H2229 D2230 Y2234 V2235 Q2236	V2228-T2232 VanDerWaalsContact O-CB 3.31Å; V2228-T2232 WeakPolarHBondContact O-CB 3.31Å; V2228-T2232 VanDerWaalsContact O-CG2 3.27Å; V2228-T2232 WeakPolarHBondContact O-CG2 3.33Å; V2228-T2232 PolarHBondContact O-N 3.2Å; V2228-T2232 PolarHBondContact O-OG1 3.36Å; V2228-T2232 VanDerWaalsContact O-OG1 3.11Å; H2229-T2232 VanDerWaalsContact CA-OG1 3.32Å; H2229-T2232 WeakPolarHBondContact CA-OG1 3.32Å; H2229-T2232 PolarHBondContact O-N 2.92Å; H2229-T2232 PolarHBondContact O-OG1 3.04Å; H2229-T2232 VanDerWaalsContact O-OG1 3.07Å; D2230-T2232 VanDerWaalsContact C-N 3.35Å; T2232-Y2234 VanDerWaalsContact C-N 3.31Å; T2232-Y2234 PolarHBondContact O-N 3Å; T2232-V2235 PolarHBondContact O-N 3.26Å; T2232-Q2236 VanDerWaalsContact O-CB 3.31Å; T2232-Q2236 WeakPolarHBondContact O-CB 3.2Å; T2232-Q2236 VanDerWaalsContact O-CG 3.31Å; T2232-Q2236 WeakPolarHBondContact O-CG 3.28Å; T2232-Q2236 PolarHBondContact O-N 3.05Å; T2232-Q2236 PolarHBondContact O-OE1 3.37Å
2233	R	80.6	Confident	73.8	Confident	149 Å²	149	97.5 Å²	97.5	56%	0.562	49%	0.494	S	S	*	.	H	α-helix	trans	-65.8	-36.9	173.2	-72.5	-167.7	-64.1	-174.4	1.4	112.7	R1624 H2229 D2230 I2231 Q2236 S2237	R1624-R2233 PolarHBondContact NH1-O 2.79Å; R1624-R2233 PolarHBondContact NH2-O 2.96Å; H2229-R2233 PolarHBondContact NE2-NE 2.94Å; H2229-R2233 VanDerWaalsContact O-CB 3.24Å; H2229-R2233 WeakPolarHBondContact O-CB 3.19Å; H2229-R2233 WeakPolarHBondContact O-CG 3.22Å; H2229-R2233 PolarHBondContact O-N 3.21Å; H2229-R2233 PolarHBondContact O-NE 3.25Å; D2230-R2233 PolarHBondContact O-N 3.25Å; D2230-R2233 IonicContact OD1-CZ 3.02Å; D2230-R2233 IonicContact OD1-NE 3.49Å; D2230-R2233 PolarHBondContact OD1-NE 3.02Å; D2230-R2233 IonicContact OD1-NH2 3.14Å; D2230-R2233 PolarHBondContact OD1-NH2 3.26Å; I2231-R2233 PolarHBondContact O-N 2.66Å; R2233-Q2236 PolarHBondContact O-N 2.73Å; R2233-S2237 VanDerWaalsContact O-CB 3.23Å; R2233-S2237 WeakPolarHBondContact O-CB 3.36Å; R2233-S2237 PolarHBondContact O-N 3.21Å
2234	Y	85.9	Confident	76	Confident	143.2 Å²	143.2	94.8 Å²	94.8	56%	0.562	48%	0.478	S	S	*	.	H	α-helix	trans	-66.1	-47.7	174.1	177.7	-96.6	0	0	0	111.6	D2230 I2231 T2232 Q2236 S2237 V2238	D2230-Y2234 WeakPolarHBondContact O-CA 3.14Å; D2230-Y2234 WeakPolarHBondContact O-CB 3.23Å; D2230-Y2234 PolarHBondContact O-N 3.24Å; I2231-Y2234 PolarHBondContact O-N 3.32Å; T2232-Y2234 VanDerWaalsContact C-N 3.31Å; T2232-Y2234 PolarHBondContact O-N 3Å; Y2234-Q2236 VanDerWaalsContact C-N 3.32Å; Y2234-Q2236 PolarHBondContact O-N 3.06Å; Y2234-S2237 CarbonylContact O-C 3.32Å; Y2234-S2237 VanDerWaalsContact O-CA 3.22Å; Y2234-S2237 WeakPolarHBondContact O-CA 3.38Å; Y2234-S2237 WeakPolarHBondContact O-CB 3.39Å; Y2234-S2237 PolarHBondContact O-N 3.24Å; Y2234-S2237 VanDerWaalsContact O-N 3.13Å; Y2234-S2237 PolarHBondContact O-OG 2.78Å; Y2234-V2238 HydrophobicContact CD1-CG2 4.14Å; Y2234-V2238 HydrophobicContact CE1-CG2 3.69Å; Y2234-V2238 HydrophobicContact CE2-CG2 4.3Å; Y2234-V2238 HydrophobicContact CG-CG2 4.42Å; Y2234-V2238 WeakPolarHBondContact O-CB 3.36Å; Y2234-V2238 VanDerWaalsContact O-CG2 3.31Å; Y2234-V2238 WeakPolarHBondContact O-CG2 3.38Å; Y2234-V2238 PolarHBondContact O-N 3.07Å
2235	V	89	Confident	78.2	Confident	69.2 Å²	69.2	92.1 Å²	92.1	42%	0.419	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-41.5	176.6	168.7	0	0	0	0	110.9	I2231 T2232 S2237 V2238 I2239	I2231-V2235 HydrophobicContact CG2-CG2 4.24Å; I2231-V2235 VanDerWaalsContact O-CB 3.26Å; I2231-V2235 WeakPolarHBondContact O-CB 3.31Å; I2231-V2235 VanDerWaalsContact O-CG2 3.27Å; I2231-V2235 WeakPolarHBondContact O-CG2 3.32Å; I2231-V2235 PolarHBondContact O-N 3.12Å; T2232-V2235 PolarHBondContact O-N 3.26Å; V2235-S2237 VanDerWaalsContact C-N 3.35Å; V2235-S2237 PolarHBondContact O-N 2.87Å; V2235-V2238 PolarHBondContact O-N 3.1Å; V2235-I2239 HydrophobicContact CG1-CD1 3.75Å; V2235-I2239 HydrophobicContact CG1-CG1 4.39Å; V2235-I2239 VanDerWaalsContact O-CB 3.23Å; V2235-I2239 WeakPolarHBondContact O-CB 3.34Å; V2235-I2239 VanDerWaalsContact O-CG1 3.28Å; V2235-I2239 WeakPolarHBondContact O-CG1 3.26Å; V2235-I2239 PolarHBondContact O-N 2.98Å
2236	Q	85.3	Confident	80.1	Confident	109.8 Å²	109.8	93.9 Å²	93.9	51%	0.513	46%	0.461	S	S	.	.	H	α-helix	trans	-61	-44.3	171.6	-107.9	137.3	-12.9	0	0	111.4	R1624 T2232 R2233 Y2234 V2238 I2239 E2240	R1624-Q2236 VanDerWaalsContact NH2-CB 3.28Å; T2232-Q2236 VanDerWaalsContact O-CB 3.31Å; T2232-Q2236 WeakPolarHBondContact O-CB 3.2Å; T2232-Q2236 VanDerWaalsContact O-CG 3.31Å; T2232-Q2236 WeakPolarHBondContact O-CG 3.28Å; T2232-Q2236 PolarHBondContact O-N 3.05Å; T2232-Q2236 PolarHBondContact O-OE1 3.37Å; R2233-Q2236 PolarHBondContact O-N 2.73Å; Y2234-Q2236 VanDerWaalsContact C-N 3.32Å; Y2234-Q2236 PolarHBondContact O-N 3.06Å; Q2236-V2238 VanDerWaalsContact C-N 3.3Å; Q2236-V2238 PolarHBondContact O-N 3.12Å; Q2236-I2239 CarbonylContact O-C 3.09Å; Q2236-I2239 PolarHBondContact O-N 3.14Å; Q2236-I2239 VanDerWaalsContact O-N 3.14Å; Q2236-E2240 WeakPolarHBondContact O-CB 3.36Å; Q2236-E2240 WeakPolarHBondContact O-CG 3.38Å; Q2236-E2240 PolarHBondContact O-N 3.17Å
2237	S	87.1	Confident	81.5	Confident	44.4 Å²	44.4	93.7 Å²	93.7	31%	0.31	46%	0.46	S	S	.	.	H	α-helix	trans	-65.2	-28.5	175.7	170.1	0	0	0	0	113.9	R1624 R2233 Y2234 V2235 R2241	R1624-S2237 VanDerWaalsContact NH1-CB 3.26Å; R1624-S2237 PolarHBondContact NH1-OG 2.75Å; R2233-S2237 VanDerWaalsContact O-CB 3.23Å; R2233-S2237 WeakPolarHBondContact O-CB 3.36Å; R2233-S2237 PolarHBondContact O-N 3.21Å; Y2234-S2237 CarbonylContact O-C 3.32Å; Y2234-S2237 VanDerWaalsContact O-CA 3.22Å; Y2234-S2237 WeakPolarHBondContact O-CA 3.38Å; Y2234-S2237 WeakPolarHBondContact O-CB 3.39Å; Y2234-S2237 PolarHBondContact O-N 3.24Å; Y2234-S2237 VanDerWaalsContact O-N 3.13Å; Y2234-S2237 PolarHBondContact O-OG 2.78Å; V2235-S2237 VanDerWaalsContact C-N 3.35Å; V2235-S2237 PolarHBondContact O-N 2.87Å; S2237-R2241 WeakPolarHBondContact O-CB 3.35Å; S2237-R2241 WeakPolarHBondContact O-CG 3.37Å; S2237-R2241 PolarHBondContact O-N 3.09Å; S2237-R2241 VanDerWaalsContact O-N 3.12Å; S2237-R2241 PolarHBondContact O-NE 2.93Å; S2237-R2241 VanDerWaalsContact O-NE 3.13Å; S2237-R2241 PolarHBondContact OG-NE 2.91Å; S2237-R2241 VanDerWaalsContact OG-NE 3.12Å; S2237-R2241 PolarHBondContact OG-NH2 3.13Å
2238	V	89.5	Confident	82.8	Confident	45.8 Å²	45.8	91.9 Å²	91.9	28%	0.278	45%	0.451	S	S	.	.	H	α-helix	trans	-75.5	-47.8	172.6	171	0	0	0	0	109.6	Y2234 V2235 Q2236 E2240 R2241 V2242	Y2234-V2238 HydrophobicContact CD1-CG2 4.14Å; Y2234-V2238 HydrophobicContact CE1-CG2 3.69Å; Y2234-V2238 HydrophobicContact CE2-CG2 4.3Å; Y2234-V2238 HydrophobicContact CG-CG2 4.42Å; Y2234-V2238 WeakPolarHBondContact O-CB 3.36Å; Y2234-V2238 VanDerWaalsContact O-CG2 3.31Å; Y2234-V2238 WeakPolarHBondContact O-CG2 3.38Å; Y2234-V2238 PolarHBondContact O-N 3.07Å; V2235-V2238 PolarHBondContact O-N 3.1Å; Q2236-V2238 VanDerWaalsContact C-N 3.3Å; Q2236-V2238 PolarHBondContact O-N 3.12Å; V2238-E2240 VanDerWaalsContact C-N 3.34Å; V2238-E2240 PolarHBondContact O-N 3.05Å; V2238-E2240 VanDerWaalsContact O-N 3.1Å; V2238-R2241 VanDerWaalsContact CG2-NH2 3.34Å; V2238-R2241 CarbonylContact O-C 3.46Å; V2238-R2241 PolarHBondContact O-N 2.83Å; V2238-R2241 VanDerWaalsContact O-N 3.13Å; V2238-V2242 HydrophobicContact CG1-CG2 4.18Å; V2238-V2242 WeakPolarHBondContact O-CA 3.26Å; V2238-V2242 WeakPolarHBondContact O-CB 3.34Å; V2238-V2242 WeakPolarHBondContact O-CG2 3.18Å; V2238-V2242 PolarHBondContact O-N 2.9Å
2239	I	90.4	Very high	83.7	Confident	77.8 Å²	77.8	91.9 Å²	91.9	40%	0.399	45%	0.446	S	S	.	.	H	α-helix	trans	-57.9	-38.1	174.4	-70.2	167.4	0	0	0	111.1	V2235 Q2236 V2242 K2243	V2235-I2239 HydrophobicContact CG1-CD1 3.75Å; V2235-I2239 HydrophobicContact CG1-CG1 4.39Å; V2235-I2239 VanDerWaalsContact O-CB 3.23Å; V2235-I2239 WeakPolarHBondContact O-CB 3.34Å; V2235-I2239 VanDerWaalsContact O-CG1 3.28Å; V2235-I2239 WeakPolarHBondContact O-CG1 3.26Å; V2235-I2239 PolarHBondContact O-N 2.98Å; Q2236-I2239 CarbonylContact O-C 3.09Å; Q2236-I2239 PolarHBondContact O-N 3.14Å; Q2236-I2239 VanDerWaalsContact O-N 3.14Å; I2239-V2242 CarbonylContact O-C 3.4Å; I2239-K2243 HydrophobicContact CG2-CD 4.04Å; I2239-K2243 HydrophobicContact CG2-CG 4.28Å; I2239-K2243 WeakPolarHBondContact O-CA 3.46Å; I2239-K2243 VanDerWaalsContact O-CB 3.28Å; I2239-K2243 WeakPolarHBondContact O-CB 3.25Å; I2239-K2243 WeakPolarHBondContact O-CD 3.43Å; I2239-K2243 VanDerWaalsContact O-CG 3.28Å; I2239-K2243 WeakPolarHBondContact O-CG 3.32Å; I2239-K2243 PolarHBondContact O-N 2.95Å
2240	E	85	Confident	84.3	Confident	105.8 Å²	105.8	90.8 Å²	90.8	49%	0.494	44%	0.444	S	S	.	.	H	α-helix	trans	-74.4	-33.1	176.7	-86.6	-176.2	155.7	0	0	113.3	R1622 K1623 R1624 Q2236 V2238 K2243 A2244	R1622-E2240 HydrophobicContact CB-CG 4.18Å; R1622-E2240 HydrophobicContact CG-CB 4.43Å; R1622-E2240 HydrophobicContact CG-CG 3.15Å; R1622-E2240 IonicContact CZ-OE1 2.7Å; R1622-E2240 IonicContact NE-OE1 2.75Å; R1622-E2240 PolarHBondContact NE-OE1 3.13Å; R1622-E2240 IonicContact NH1-OE1 3.1Å; R1622-E2240 PolarHBondContact NH1-OE1 3.36Å; R1622-E2240 PolarHBondContact NH2-O 2.83Å; R1622-E2240 IonicContact NH2-OE1 2.76Å; R1622-E2240 PolarHBondContact NH2-OE1 3.15Å; K1623-E2240 VanDerWaalsContact CA-OE1 3.31Å; K1623-E2240 WeakPolarHBondContact CA-OE1 3.24Å; R1624-E2240 WeakPolarHBondContact CA-OE1 3.37Å; R1624-E2240 VanDerWaalsContact CB-CD 3.46Å; R1624-E2240 VanDerWaalsContact CB-OE1 3.32Å; R1624-E2240 WeakPolarHBondContact CB-OE1 3.25Å; R1624-E2240 WeakPolarHBondContact CB-OE2 3.46Å; R1624-E2240 VanDerWaalsContact CD-OE2 3.23Å; R1624-E2240 WeakPolarHBondContact CD-OE2 3.31Å; R1624-E2240 WeakPolarHBondContact CG-OE2 3.28Å; R1624-E2240 PolarHBondContact N-OE1 2.92Å; R1624-E2240 PolarHBondContact N-OE2 2.75Å; R1624-E2240 VanDerWaalsContact N-OE2 3.17Å; R1624-E2240 IonicContact NE-OE2 3.35Å; Q2236-E2240 WeakPolarHBondContact O-CB 3.36Å; Q2236-E2240 WeakPolarHBondContact O-CG 3.38Å; Q2236-E2240 PolarHBondContact O-N 3.17Å; V2238-E2240 VanDerWaalsContact C-N 3.34Å; V2238-E2240 PolarHBondContact O-N 3.05Å; V2238-E2240 VanDerWaalsContact O-N 3.1Å; E2240-K2243 PolarHBondContact O-N 3.1Å; E2240-A2244 WeakPolarHBondContact O-CB 3.3Å; E2240-A2244 PolarHBondContact O-N 3.16Å
2241	R	86.9	Confident	84.9	Confident	127.8 Å²	127.8	92.7 Å²	92.7	48%	0.482	45%	0.45	S	S	.	.	H	α-helix	trans	-70.7	-47.2	170.2	-77.2	179.8	-70.9	138.5	-4.7	111.6	S2237 V2238 K2243 A2244 E2245	S2237-R2241 WeakPolarHBondContact O-CB 3.35Å; S2237-R2241 WeakPolarHBondContact O-CG 3.37Å; S2237-R2241 PolarHBondContact O-N 3.09Å; S2237-R2241 VanDerWaalsContact O-N 3.12Å; S2237-R2241 PolarHBondContact O-NE 2.93Å; S2237-R2241 VanDerWaalsContact O-NE 3.13Å; S2237-R2241 PolarHBondContact OG-NE 2.91Å; S2237-R2241 VanDerWaalsContact OG-NE 3.12Å; S2237-R2241 PolarHBondContact OG-NH2 3.13Å; V2238-R2241 VanDerWaalsContact CG2-NH2 3.34Å; V2238-R2241 CarbonylContact O-C 3.46Å; V2238-R2241 PolarHBondContact O-N 2.83Å; V2238-R2241 VanDerWaalsContact O-N 3.13Å; R2241-K2243 VanDerWaalsContact C-N 3.28Å; R2241-K2243 PolarHBondContact O-N 3.03Å; R2241-A2244 CarbonylContact O-C 3.47Å; R2241-A2244 VanDerWaalsContact O-CA 3.25Å; R2241-A2244 WeakPolarHBondContact O-CA 3.36Å; R2241-A2244 WeakPolarHBondContact O-CB 2.92Å; R2241-A2244 PolarHBondContact O-N 3.05Å; R2241-A2244 VanDerWaalsContact O-N 3.13Å; R2241-E2245 VanDerWaalsContact O-CA 3.25Å; R2241-E2245 WeakPolarHBondContact O-CA 3.33Å; R2241-E2245 VanDerWaalsContact O-CB 3.25Å; R2241-E2245 WeakPolarHBondContact O-CB 3.4Å; R2241-E2245 PolarHBondContact O-N 3.21Å
2242	V	88.9	Confident	85.2	Confident	55.8 Å²	55.8	93.3 Å²	93.3	34%	0.338	45%	0.451	S	S	.	.	H	α-helix	trans	-64.1	-29.4	175.2	174.6	0	0	0	0	112.3	V2238 I2239 A2244 E2245 R2246	V2238-V2242 HydrophobicContact CG1-CG2 4.18Å; V2238-V2242 WeakPolarHBondContact O-CA 3.26Å; V2238-V2242 WeakPolarHBondContact O-CB 3.34Å; V2238-V2242 WeakPolarHBondContact O-CG2 3.18Å; V2238-V2242 PolarHBondContact O-N 2.9Å; I2239-V2242 CarbonylContact O-C 3.4Å; V2242-A2244 PolarHBondContact O-N 2.96Å; V2242-E2245 VanDerWaalsContact C-CB 3.43Å; V2242-E2245 WeakPolarHBondContact CA-OE2 3.36Å; V2242-E2245 WeakPolarHBondContact CB-OE2 3.23Å; V2242-E2245 WeakPolarHBondContact CG1-OE2 3.35Å; V2242-E2245 WeakPolarHBondContact CG2-OE2 3.06Å; V2242-E2245 WeakPolarHBondContact O-CB 3.17Å; V2242-E2245 PolarHBondContact O-N 2.63Å; V2242-R2246 VanDerWaalsContact O-CB 3.3Å; V2242-R2246 WeakPolarHBondContact O-CB 3.47Å; V2242-R2246 WeakPolarHBondContact O-CG 3.43Å; V2242-R2246 PolarHBondContact O-N 3Å; V2242-R2246 VanDerWaalsContact O-N 3.16Å
2243	K	88.1	Confident	85.1	Confident	124 Å²	124	92.1 Å²	92.1	54%	0.539	45%	0.448	S	S	.	.	H	α-helix	trans	-75.6	-35.8	170	-79.6	177	173.3	-174.7	0	112.3	K1621 R1622 I2239 E2240 R2241 E2245 R2246 V2247	K1621-K2243 WeakPolarHBondContact CD-O 3.19Å; K1621-K2243 VanDerWaalsContact CE-C 3.45Å; K1621-K2243 WeakPolarHBondContact CE-O 3.32Å; K1621-K2243 HydrophobicContact CG-CB 4.43Å; K1621-K2243 WeakPolarHBondContact CG-O 3.23Å; K1621-K2243 WeakPolarHBondContact O-CD 3.2Å; K1621-K2243 WeakPolarHBondContact O-CE 2.93Å; K1621-K2243 PolarHBondContact O-NZ 2.75Å; R1622-K2243 HydrophobicContact CB-CB 3.33Å; R1622-K2243 HydrophobicContact CB-CD 3.98Å; R1622-K2243 HydrophobicContact CB-CG 4.31Å; R1622-K2243 VanDerWaalsContact CB-O 3.23Å; R1622-K2243 WeakPolarHBondContact CB-O 3.4Å; R1622-K2243 WeakPolarHBondContact CD-O 3.37Å; R1622-K2243 HydrophobicContact CG-CB 3.84Å; R1622-K2243 WeakPolarHBondContact CG-O 3.28Å; I2239-K2243 HydrophobicContact CG2-CD 4.04Å; I2239-K2243 HydrophobicContact CG2-CG 4.28Å; I2239-K2243 WeakPolarHBondContact O-CA 3.46Å; I2239-K2243 VanDerWaalsContact O-CB 3.28Å; I2239-K2243 WeakPolarHBondContact O-CB 3.25Å; I2239-K2243 WeakPolarHBondContact O-CD 3.43Å; I2239-K2243 VanDerWaalsContact O-CG 3.28Å; I2239-K2243 WeakPolarHBondContact O-CG 3.32Å; I2239-K2243 PolarHBondContact O-N 2.95Å; E2240-K2243 PolarHBondContact O-N 3.1Å; R2241-K2243 VanDerWaalsContact C-N 3.28Å; R2241-K2243 PolarHBondContact O-N 3.03Å; K2243-E2245 PolarHBondContact O-N 3.45Å; K2243-R2246 PolarHBondContact O-N 2.86Å; K2243-V2247 WeakPolarHBondContact O-CB 3.43Å; K2243-V2247 VanDerWaalsContact O-CG2 3.25Å; K2243-V2247 WeakPolarHBondContact O-CG2 3.31Å; K2243-V2247 PolarHBondContact O-N 3.32Å; K2243-V2247 VanDerWaalsContact O-N 3.09Å
2244	A	82.5	Confident	84.8	Confident	49.6 Å²	49.6	87.2 Å²	87.2	41%	0.41	44%	0.44	S	S	.	.	H	α-helix	trans	-69.1	-35.8	171.9	0	0	0	0	0	111.5	K1621 R1622 E2240 R2241 V2242 R2246 V2247 E2248	K1621-A2244 WeakPolarHBondContact CE-O 3.35Å; K1621-A2244 PolarHBondContact NZ-O 2.73Å; R1622-A2244 VanDerWaalsContact NE-CB 3.26Å; E2240-A2244 WeakPolarHBondContact O-CB 3.3Å; E2240-A2244 PolarHBondContact O-N 3.16Å; R2241-A2244 CarbonylContact O-C 3.47Å; R2241-A2244 VanDerWaalsContact O-CA 3.25Å; R2241-A2244 WeakPolarHBondContact O-CA 3.36Å; R2241-A2244 WeakPolarHBondContact O-CB 2.92Å; R2241-A2244 PolarHBondContact O-N 3.05Å; R2241-A2244 VanDerWaalsContact O-N 3.13Å; V2242-A2244 PolarHBondContact O-N 2.96Å; A2244-R2246 VanDerWaalsContact C-N 3.32Å; A2244-R2246 PolarHBondContact O-N 3.26Å; A2244-V2247 CarbonylContact O-C 3.58Å; A2244-V2247 WeakPolarHBondContact O-CA 3.41Å; A2244-V2247 PolarHBondContact O-N 3.23Å; A2244-V2247 VanDerWaalsContact O-N 3.12Å; A2244-E2248 WeakPolarHBondContact O-CB 3.37Å; A2244-E2248 PolarHBondContact O-N 3.07Å
2245	E	85.3	Confident	84.3	Confident	104 Å²	104	82.4 Å²	82.4	49%	0.486	43%	0.43	S	S	.	.	H	α-helix	trans	-60.6	-58.2	176.5	-160.9	171.8	-169.8	0	0	111.7	K1621 R2241 V2242 K2243 V2247 E2248 E2249	K1621-E2245 VanDerWaalsContact CE-C 3.42Å; K1621-E2245 VanDerWaalsContact NZ-C 3.26Å; K1621-E2245 PolarHBondContact NZ-O 3.25Å; R2241-E2245 VanDerWaalsContact O-CA 3.25Å; R2241-E2245 WeakPolarHBondContact O-CA 3.33Å; R2241-E2245 VanDerWaalsContact O-CB 3.25Å; R2241-E2245 WeakPolarHBondContact O-CB 3.4Å; R2241-E2245 PolarHBondContact O-N 3.21Å; V2242-E2245 VanDerWaalsContact C-CB 3.43Å; V2242-E2245 WeakPolarHBondContact CA-OE2 3.36Å; V2242-E2245 WeakPolarHBondContact CB-OE2 3.23Å; V2242-E2245 WeakPolarHBondContact CG1-OE2 3.35Å; V2242-E2245 WeakPolarHBondContact CG2-OE2 3.06Å; V2242-E2245 WeakPolarHBondContact O-CB 3.17Å; V2242-E2245 PolarHBondContact O-N 2.63Å; K2243-E2245 PolarHBondContact O-N 3.45Å; E2245-V2247 VanDerWaalsContact C-N 3.33Å; E2245-V2247 CarbonylContact O-C 3.35Å; E2245-V2247 PolarHBondContact O-N 3.13Å; E2245-E2248 CarbonylContact O-C 3.45Å; E2245-E2248 WeakPolarHBondContact O-CA 3.23Å; E2245-E2248 VanDerWaalsContact O-CB 3.24Å; E2245-E2248 WeakPolarHBondContact O-CB 3.43Å; E2245-E2248 PolarHBondContact O-N 3.01Å; E2245-E2249 VanDerWaalsContact O-CB 3.29Å; E2245-E2249 WeakPolarHBondContact O-CB 3.3Å; E2245-E2249 PolarHBondContact O-N 3.24Å; E2245-E2249 VanDerWaalsContact O-N 3.15Å
2246	R	85.5	Confident	83.5	Confident	121.6 Å²	121.6	81.1 Å²	81.1	46%	0.459	43%	0.426	S	S	.	.	H	α-helix	trans	-66.8	-27.5	-179.8	-87.4	-149.1	160.8	142	4.8	114.7	N1620 K1621 V2242 K2243 A2244 E2248 E2249 N2250	N1620-R2246 WeakPolarHBondContact OD1-CB 3.41Å; K1621-R2246 VanDerWaalsContact CE-N 3.29Å; K1621-R2246 HydrophobicContact CG-CB 4.47Å; V2242-R2246 VanDerWaalsContact O-CB 3.3Å; V2242-R2246 WeakPolarHBondContact O-CB 3.47Å; V2242-R2246 WeakPolarHBondContact O-CG 3.43Å; V2242-R2246 PolarHBondContact O-N 3Å; V2242-R2246 VanDerWaalsContact O-N 3.16Å; K2243-R2246 PolarHBondContact O-N 2.86Å; A2244-R2246 VanDerWaalsContact C-N 3.32Å; A2244-R2246 PolarHBondContact O-N 3.26Å; R2246-E2248 CarbonylContact C-O 3.56Å; R2246-E2248 WeakPolarHBondContact CA-O 3.47Å; R2246-E2248 PolarHBondContact O-N 2.73Å; R2246-E2249 WeakPolarHBondContact CD-OE1 3.06Å; R2246-E2249 HydrophobicContact CG-CB 4.01Å; R2246-E2249 VanDerWaalsContact CZ-CD 3.48Å; R2246-E2249 IonicContact CZ-OE1 2.79Å; R2246-E2249 IonicContact CZ-OE2 3.27Å; R2246-E2249 VanDerWaalsContact CZ-OE2 3.25Å; R2246-E2249 IonicContact NE-OE1 2.67Å; R2246-E2249 PolarHBondContact NE-OE1 3.29Å; R2246-E2249 IonicContact NE-OE2 3.46Å; R2246-E2249 PolarHBondContact NE-OE2 2.79Å; R2246-E2249 IonicContact NH1-OE2 3.44Å; R2246-E2249 IonicContact NH2-OE1 3.04Å; R2246-E2249 PolarHBondContact NH2-OE1 3.22Å; R2246-E2249 IonicContact NH2-OE2 3.32Å; R2246-E2249 PolarHBondContact NH2-OE2 2.94Å; R2246-E2249 CarbonylContact O-C 3.6Å; R2246-E2249 WeakPolarHBondContact O-CA 3.41Å; R2246-E2249 WeakPolarHBondContact O-CB 3.31Å; R2246-E2249 PolarHBondContact O-N 2.77Å; R2246-E2249 VanDerWaalsContact O-N 3.13Å; R2246-N2250 HydrophobicContact CG-CB 4.11Å; R2246-N2250 VanDerWaalsContact O-CB 3.27Å; R2246-N2250 WeakPolarHBondContact O-CB 3.32Å; R2246-N2250 PolarHBondContact O-N 3.04Å; R2246-N2250 VanDerWaalsContact O-N 3.08Å
2247	V	84	Confident	82.8	Confident	75.4 Å²	75.4	77.9 Å²	77.9	46%	0.457	42%	0.418	S	S	.	.	H	α-helix	trans	-73.3	-26.4	166.5	171.9	0	0	0	0	110.7	N1620 K1621 K2243 A2244 E2245 N2250 Q2251	N1620-V2247 VanDerWaalsContact CG-CG2 3.46Å; N1620-V2247 WeakPolarHBondContact ND2-CG2 3.31Å; N1620-V2247 VanDerWaalsContact OD1-CG2 3.29Å; N1620-V2247 WeakPolarHBondContact OD1-CG2 3.3Å; N1620-V2247 PolarHBondContact OD1-N 3.01Å; K1621-V2247 HydrophobicContact CD-CB 3.85Å; K1621-V2247 HydrophobicContact CD-CG2 4.35Å; K1621-V2247 HydrophobicContact CG-CB 4.33Å; K1621-V2247 HydrophobicContact CG-CG2 4.28Å; K1621-V2247 PolarHBondContact NZ-O 2.73Å; K2243-V2247 WeakPolarHBondContact O-CB 3.43Å; K2243-V2247 VanDerWaalsContact O-CG2 3.25Å; K2243-V2247 WeakPolarHBondContact O-CG2 3.31Å; K2243-V2247 PolarHBondContact O-N 3.32Å; K2243-V2247 VanDerWaalsContact O-N 3.09Å; A2244-V2247 CarbonylContact O-C 3.58Å; A2244-V2247 WeakPolarHBondContact O-CA 3.41Å; A2244-V2247 PolarHBondContact O-N 3.23Å; A2244-V2247 VanDerWaalsContact O-N 3.12Å; E2245-V2247 VanDerWaalsContact C-N 3.33Å; E2245-V2247 CarbonylContact O-C 3.35Å; E2245-V2247 PolarHBondContact O-N 3.13Å; V2247-N2250 HydrophobicContact CB-CB 4.12Å; V2247-N2250 HydrophobicContact CG1-CB 4.17Å; V2247-N2250 HydrophobicContact CG2-CB 4.03Å; V2247-N2250 PolarHBondContact O-N 3.4Å; V2247-Q2251 HydrophobicContact CG1-CG 3.86Å; V2247-Q2251 WeakPolarHBondContact O-CB 3.35Å; V2247-Q2251 VanDerWaalsContact O-CG 3.27Å; V2247-Q2251 WeakPolarHBondContact O-CG 3.29Å; V2247-Q2251 PolarHBondContact O-N 2.95Å; V2247-Q2251 VanDerWaalsContact O-N 3.15Å; V2247-Q2251 PolarHBondContact O-NE2 3.27Å; V2247-Q2251 PolarHBondContact O-OE1 2.68Å
2248	E	84	Confident	81.6	Confident	95.4 Å²	95.4	78.1 Å²	78.1	45%	0.446	42%	0.422	S	S	.	.	H	α-helix	trans	-77.5	-61.7	164.4	-166.8	155.8	-166.9	0	0	109.7	A2244 E2245 R2246 N2250 Q2251 Q2252	A2244-E2248 WeakPolarHBondContact O-CB 3.37Å; A2244-E2248 PolarHBondContact O-N 3.07Å; E2245-E2248 CarbonylContact O-C 3.45Å; E2245-E2248 WeakPolarHBondContact O-CA 3.23Å; E2245-E2248 VanDerWaalsContact O-CB 3.24Å; E2245-E2248 WeakPolarHBondContact O-CB 3.43Å; E2245-E2248 PolarHBondContact O-N 3.01Å; R2246-E2248 CarbonylContact C-O 3.56Å; R2246-E2248 WeakPolarHBondContact CA-O 3.47Å; R2246-E2248 PolarHBondContact O-N 2.73Å; E2248-N2250 VanDerWaalsContact C-N 3.3Å; E2248-N2250 PolarHBondContact O-N 3.1Å; E2248-Q2251 CarbonylContact O-C 3.53Å; E2248-Q2251 WeakPolarHBondContact O-CA 3.18Å; E2248-Q2251 WeakPolarHBondContact O-CB 3.43Å; E2248-Q2251 PolarHBondContact O-N 2.99Å; E2248-Q2251 VanDerWaalsContact O-N 3.14Å; E2248-Q2252 WeakPolarHBondContact O-CB 3.44Å; E2248-Q2252 WeakPolarHBondContact O-CG 3.13Å; E2248-Q2252 PolarHBondContact O-N 3.1Å
2249	E	81	Confident	80.1	Confident	89.2 Å²	89.2	82.4 Å²	82.4	42%	0.417	44%	0.439	S	S	.	.	H	α-helix	trans	-40.1	-46.7	176.6	179.8	-162.7	-159.9	0	0	113.1	E2245 R2246 Q2251 Q2252 A2253 V2799	E2245-E2249 VanDerWaalsContact O-CB 3.29Å; E2245-E2249 WeakPolarHBondContact O-CB 3.3Å; E2245-E2249 PolarHBondContact O-N 3.24Å; E2245-E2249 VanDerWaalsContact O-N 3.15Å; R2246-E2249 WeakPolarHBondContact CD-OE1 3.06Å; R2246-E2249 HydrophobicContact CG-CB 4.01Å; R2246-E2249 VanDerWaalsContact CZ-CD 3.48Å; R2246-E2249 IonicContact CZ-OE1 2.79Å; R2246-E2249 IonicContact CZ-OE2 3.27Å; R2246-E2249 VanDerWaalsContact CZ-OE2 3.25Å; R2246-E2249 IonicContact NE-OE1 2.67Å; R2246-E2249 PolarHBondContact NE-OE1 3.29Å; R2246-E2249 IonicContact NE-OE2 3.46Å; R2246-E2249 PolarHBondContact NE-OE2 2.79Å; R2246-E2249 IonicContact NH1-OE2 3.44Å; R2246-E2249 IonicContact NH2-OE1 3.04Å; R2246-E2249 PolarHBondContact NH2-OE1 3.22Å; R2246-E2249 IonicContact NH2-OE2 3.32Å; R2246-E2249 PolarHBondContact NH2-OE2 2.94Å; R2246-E2249 CarbonylContact O-C 3.6Å; R2246-E2249 WeakPolarHBondContact O-CA 3.41Å; R2246-E2249 WeakPolarHBondContact O-CB 3.31Å; R2246-E2249 PolarHBondContact O-N 2.77Å; R2246-E2249 VanDerWaalsContact O-N 3.13Å; E2249-Q2251 PolarHBondContact O-N 3.19Å; E2249-Q2252 CarbonylContact O-C 3.3Å; E2249-Q2252 WeakPolarHBondContact O-CA 3.42Å; E2249-Q2252 VanDerWaalsContact O-CB 3.24Å; E2249-Q2252 WeakPolarHBondContact O-CB 3.19Å; E2249-Q2252 PolarHBondContact O-N 3.08Å; E2249-A2253 VanDerWaalsContact O-CB 3.27Å; E2249-A2253 WeakPolarHBondContact O-CB 3.42Å; E2249-A2253 PolarHBondContact O-N 3.13Å; E2249-V2799 HydrophobicContact CB-CB 4.49Å; E2249-V2799 HydrophobicContact CB-CG1 4.35Å; E2249-V2799 HydrophobicContact CG-CB 3.76Å; E2249-V2799 HydrophobicContact CG-CG1 3.53Å; E2249-V2799 WeakPolarHBondContact OE2-CG1 2.96Å
2250	N	83.1	Confident	78	Confident	91.2 Å²	91.2	82.6 Å²	82.6	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-67.3	-32.7	175.6	-149.5	57	0	0	0	111.9	R2246 V2247 E2248 Q2252 A2253 A2254	R2246-N2250 HydrophobicContact CG-CB 4.11Å; R2246-N2250 VanDerWaalsContact O-CB 3.27Å; R2246-N2250 WeakPolarHBondContact O-CB 3.32Å; R2246-N2250 PolarHBondContact O-N 3.04Å; R2246-N2250 VanDerWaalsContact O-N 3.08Å; V2247-N2250 HydrophobicContact CB-CB 4.12Å; V2247-N2250 HydrophobicContact CG1-CB 4.17Å; V2247-N2250 HydrophobicContact CG2-CB 4.03Å; V2247-N2250 PolarHBondContact O-N 3.4Å; E2248-N2250 VanDerWaalsContact C-N 3.3Å; E2248-N2250 PolarHBondContact O-N 3.1Å; N2250-Q2252 PolarHBondContact O-N 2.97Å; N2250-A2253 WeakPolarHBondContact O-CA 3.46Å; N2250-A2253 WeakPolarHBondContact O-CB 3.27Å; N2250-A2253 PolarHBondContact O-N 2.8Å; N2250-A2254 VanDerWaalsContact O-CB 3.27Å; N2250-A2254 WeakPolarHBondContact O-CB 3.39Å; N2250-A2254 PolarHBondContact O-N 3.07Å
2251	Q	82.8	Confident	76.2	Confident	106.8 Å²	106.8	84.4 Å²	84.4	50%	0.499	46%	0.455	S	S	.	.	H	α-helix	trans	-70.5	-31.9	171.6	-96.5	170	21.4	0	0	112.1	V2247 E2248 E2249 A2254 A2255	V2247-Q2251 HydrophobicContact CG1-CG 3.86Å; V2247-Q2251 WeakPolarHBondContact O-CB 3.35Å; V2247-Q2251 VanDerWaalsContact O-CG 3.27Å; V2247-Q2251 WeakPolarHBondContact O-CG 3.29Å; V2247-Q2251 PolarHBondContact O-N 2.95Å; V2247-Q2251 VanDerWaalsContact O-N 3.15Å; V2247-Q2251 PolarHBondContact O-NE2 3.27Å; V2247-Q2251 PolarHBondContact O-OE1 2.68Å; E2248-Q2251 CarbonylContact O-C 3.53Å; E2248-Q2251 WeakPolarHBondContact O-CA 3.18Å; E2248-Q2251 WeakPolarHBondContact O-CB 3.43Å; E2248-Q2251 PolarHBondContact O-N 2.99Å; E2248-Q2251 VanDerWaalsContact O-N 3.14Å; E2249-Q2251 PolarHBondContact O-N 3.19Å; Q2251-A2254 VanDerWaalsContact C-CB 3.42Å; Q2251-A2254 WeakPolarHBondContact O-CB 3.36Å; Q2251-A2254 PolarHBondContact O-N 3.03Å; Q2251-A2255 WeakPolarHBondContact O-CB 3.32Å; Q2251-A2255 PolarHBondContact O-N 2.9Å
2252	Q	83.1	Confident	74.2	Confident	103.4 Å²	103.4	85.4 Å²	85.4	48%	0.483	47%	0.465	S	S	.	.	H	α-helix	trans	-79	-34.9	174.6	-111.5	168.2	21.1	0	0	111.6	E2248 E2249 N2250 A2254 A2255 A2256	E2248-Q2252 WeakPolarHBondContact O-CB 3.44Å; E2248-Q2252 WeakPolarHBondContact O-CG 3.13Å; E2248-Q2252 PolarHBondContact O-N 3.1Å; E2249-Q2252 CarbonylContact O-C 3.3Å; E2249-Q2252 WeakPolarHBondContact O-CA 3.42Å; E2249-Q2252 VanDerWaalsContact O-CB 3.24Å; E2249-Q2252 WeakPolarHBondContact O-CB 3.19Å; E2249-Q2252 PolarHBondContact O-N 3.08Å; N2250-Q2252 PolarHBondContact O-N 2.97Å; Q2252-A2254 PolarHBondContact O-N 2.82Å; Q2252-A2255 VanDerWaalsContact C-N 3.33Å; Q2252-A2255 HydrophobicContact CB-CB 4.48Å; Q2252-A2255 HydrophobicContact CG-CB 4.48Å; Q2252-A2255 CarbonylContact O-C 3.19Å; Q2252-A2255 VanDerWaalsContact O-C 3.31Å; Q2252-A2255 VanDerWaalsContact O-CA 3.29Å; Q2252-A2255 WeakPolarHBondContact O-CA 3.48Å; Q2252-A2255 VanDerWaalsContact O-CB 3.28Å; Q2252-A2255 WeakPolarHBondContact O-CB 3.41Å; Q2252-A2255 PolarHBondContact O-N 3.11Å; Q2252-A2256 VanDerWaalsContact O-CB 3.31Å; Q2252-A2256 WeakPolarHBondContact O-CB 3.34Å; Q2252-A2256 PolarHBondContact O-N 3.08Å
2253	A	78.6	Confident	71.7	Confident	45 Å²	45	87.5 Å²	87.5	37%	0.372	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-40.5	169.1	0	0	0	0	0	111.6	E2249 N2250 A2256 A2257	E2249-A2253 VanDerWaalsContact O-CB 3.27Å; E2249-A2253 WeakPolarHBondContact O-CB 3.42Å; E2249-A2253 PolarHBondContact O-N 3.13Å; N2250-A2253 WeakPolarHBondContact O-CA 3.46Å; N2250-A2253 WeakPolarHBondContact O-CB 3.27Å; N2250-A2253 PolarHBondContact O-N 2.8Å; A2253-A2256 CarbonylContact O-C 2.87Å; A2253-A2256 WeakPolarHBondContact O-CA 3.34Å; A2253-A2256 WeakPolarHBondContact O-CB 3.46Å; A2253-A2256 PolarHBondContact O-N 3.03Å; A2253-A2257 VanDerWaalsContact O-CB 3.31Å; A2253-A2257 WeakPolarHBondContact O-CB 3.45Å; A2253-A2257 PolarHBondContact O-N 3.15Å
2254	A	75.4	Confident	69.2	Low	46.4 Å²	46.4	87.6 Å²	87.6	38%	0.383	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-43.4	171.6	0	0	0	0	0	112.4	N2250 Q2251 Q2252 A2256 A2257 A2258	N2250-A2254 VanDerWaalsContact O-CB 3.27Å; N2250-A2254 WeakPolarHBondContact O-CB 3.39Å; N2250-A2254 PolarHBondContact O-N 3.07Å; Q2251-A2254 VanDerWaalsContact C-CB 3.42Å; Q2251-A2254 WeakPolarHBondContact O-CB 3.36Å; Q2251-A2254 PolarHBondContact O-N 3.03Å; Q2252-A2254 PolarHBondContact O-N 2.82Å; A2254-A2256 PolarHBondContact O-N 3.26Å; A2254-A2257 PolarHBondContact O-N 3.18Å; A2254-A2258 VanDerWaalsContact O-CB 3.27Å; A2254-A2258 WeakPolarHBondContact O-CB 3.22Å; A2254-A2258 PolarHBondContact O-N 2.98Å
2255	A	75.1	Confident	67	Low	42.6 Å²	42.6	94.4 Å²	94.4	35%	0.352	52%	0.516	S	S	.	.	H	α-helix	trans	-65.5	-36.2	174.4	0	0	0	0	0	112.1	Q2251 Q2252 A2258 H2259	Q2251-A2255 WeakPolarHBondContact O-CB 3.32Å; Q2251-A2255 PolarHBondContact O-N 2.9Å; Q2252-A2255 VanDerWaalsContact C-N 3.33Å; Q2252-A2255 HydrophobicContact CB-CB 4.48Å; Q2252-A2255 HydrophobicContact CG-CB 4.48Å; Q2252-A2255 CarbonylContact O-C 3.19Å; Q2252-A2255 VanDerWaalsContact O-C 3.31Å; Q2252-A2255 VanDerWaalsContact O-CA 3.29Å; Q2252-A2255 WeakPolarHBondContact O-CA 3.48Å; Q2252-A2255 VanDerWaalsContact O-CB 3.28Å; Q2252-A2255 WeakPolarHBondContact O-CB 3.41Å; Q2252-A2255 PolarHBondContact O-N 3.11Å; A2255-A2258 PolarHBondContact O-N 3.17Å; A2255-H2259 WeakPolarHBondContact O-CB 3.3Å; A2255-H2259 PolarHBondContact O-N 3.21Å
2256	A	72.9	Confident	64.6	Low	42 Å²	42	97.9 Å²	97.9	35%	0.347	53%	0.532	S	S	.	.	H	α-helix	trans	-69.5	-34.3	174.1	0	0	0	0	0	112.4	Q2252 A2253 A2254 A2258 H2259 C2260	Q2252-A2256 VanDerWaalsContact O-CB 3.31Å; Q2252-A2256 WeakPolarHBondContact O-CB 3.34Å; Q2252-A2256 PolarHBondContact O-N 3.08Å; A2253-A2256 CarbonylContact O-C 2.87Å; A2253-A2256 WeakPolarHBondContact O-CA 3.34Å; A2253-A2256 WeakPolarHBondContact O-CB 3.46Å; A2253-A2256 PolarHBondContact O-N 3.03Å; A2254-A2256 PolarHBondContact O-N 3.26Å; A2256-A2258 VanDerWaalsContact C-N 3.34Å; A2256-A2258 PolarHBondContact O-N 3Å; A2256-H2259 CarbonylContact O-C 3.44Å; A2256-H2259 WeakPolarHBondContact O-CA 3.47Å; A2256-H2259 WeakPolarHBondContact O-CB 3.42Å; A2256-H2259 PolarHBondContact O-N 3.35Å; A2256-H2259 VanDerWaalsContact O-N 3.15Å; A2256-C2260 PolarHBondContact O-N 2.94Å; A2256-C2260 PolarHBondContact O-SG 2.92Å; A2256-C2260 VanDerWaalsContact O-SG 3.36Å
2257	A	69.6	Low	62.3	Low	42 Å²	42	97.6 Å²	97.6	35%	0.347	55%	0.545	S	S	.	.	H	α-helix	trans	-74	-31.7	172.1	0	0	0	0	0	114.1	A2253 A2254 H2259 C2260 H2261	A2253-A2257 VanDerWaalsContact O-CB 3.31Å; A2253-A2257 WeakPolarHBondContact O-CB 3.45Å; A2253-A2257 PolarHBondContact O-N 3.15Å; A2254-A2257 PolarHBondContact O-N 3.18Å; A2257-H2259 VanDerWaalsContact C-N 3.29Å; A2257-H2259 PolarHBondContact O-N 2.94Å; A2257-C2260 PolarHBondContact O-N 3.29Å; A2257-C2260 VanDerWaalsContact O-N 3.09Å; A2257-H2261 PolarHBondContact O-CD2 3.15Å; A2257-H2261 PolarHBondContact O-N 3.31Å
2258	A	61	Low	60.1	Low	47.6 Å²	47.6	99.9 Å²	99.9	39%	0.393	56%	0.56	S	S	.	*	H	α-helix	trans	-65.7	-42.5	173	0	0	0	0	0	113.6	A2254 A2255 A2256 H2261 H2262	A2254-A2258 VanDerWaalsContact O-CB 3.27Å; A2254-A2258 WeakPolarHBondContact O-CB 3.22Å; A2254-A2258 PolarHBondContact O-N 2.98Å; A2255-A2258 PolarHBondContact O-N 3.17Å; A2256-A2258 VanDerWaalsContact C-N 3.34Å; A2256-A2258 PolarHBondContact O-N 3Å; A2258-H2261 PolarHBondContact O-N 2.84Å; A2258-H2262 PolarHBondContact O-CE1 3.5Å; A2258-H2262 PolarHBondContact O-ND1 2.87Å
2259	H	58.2	Low	57.7	Low	136.6 Å²	136.6	101.5 Å²	101.5	63%	0.632	58%	0.576	S	S	*	*	H	α-helix	trans	-69.1	-41.7	176.9	-95.4	-53.7	0	0	0	115.2	A2255 A2256 A2257 H2261 H2262	A2255-H2259 WeakPolarHBondContact O-CB 3.3Å; A2255-H2259 PolarHBondContact O-N 3.21Å; A2256-H2259 CarbonylContact O-C 3.44Å; A2256-H2259 WeakPolarHBondContact O-CA 3.47Å; A2256-H2259 WeakPolarHBondContact O-CB 3.42Å; A2256-H2259 PolarHBondContact O-N 3.35Å; A2256-H2259 VanDerWaalsContact O-N 3.15Å; A2257-H2259 VanDerWaalsContact C-N 3.29Å; A2257-H2259 PolarHBondContact O-N 2.94Å; H2259-H2261 VanDerWaalsContact C-N 3.31Å; H2259-H2261 CarbonylContact O-C 3.18Å; H2259-H2261 VanDerWaalsContact O-C 3.29Å; H2259-H2261 PolarHBondContact O-N 3.24Å; H2259-H2261 VanDerWaalsContact O-N 3.12Å; H2259-H2262 PolarHBondContact O-N 2.86Å; H2259-H2262 VanDerWaalsContact O-N 3.11Å
2260	C	47.7	Very low	55.4	Low	81.8 Å²	81.8	102.3 Å²	102.3	55%	0.553	59%	0.592	S	S	*	*	H	α-helix	trans	-57.9	-31.5	-177.4	-73.3	0	0	0	0	113.5	A2256 A2257 H2262 S2263	A2256-C2260 PolarHBondContact O-N 2.94Å; A2256-C2260 PolarHBondContact O-SG 2.92Å; A2256-C2260 VanDerWaalsContact O-SG 3.36Å; A2257-C2260 PolarHBondContact O-N 3.29Å; A2257-C2260 VanDerWaalsContact O-N 3.09Å; C2260-H2262 PolarHBondContact O-N 3.31Å; C2260-H2262 VanDerWaalsContact O-N 3.12Å; C2260-S2263 PolarHBondContact O-N 2.96Å
2261	H	47.3	Very low	53	Low	144.6 Å²	144.6	104.2 Å²	104.2	67%	0.669	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	14.6	177.4	-74.4	-80	0	0	0	113.3	A2257 A2258 H2259 S2263	A2257-H2261 PolarHBondContact O-CD2 3.15Å; A2257-H2261 PolarHBondContact O-N 3.31Å; A2258-H2261 PolarHBondContact O-N 2.84Å; H2259-H2261 VanDerWaalsContact C-N 3.31Å; H2259-H2261 CarbonylContact O-C 3.18Å; H2259-H2261 VanDerWaalsContact O-C 3.29Å; H2259-H2261 PolarHBondContact O-N 3.24Å; H2259-H2261 VanDerWaalsContact O-N 3.12Å; H2261-S2263 VanDerWaalsContact C-N 3.34Å
2262	H	43.8	Very low	50.5	Low	149 Å²	149	107 Å²	107	69%	0.69	62%	0.622	S	S	*	*	S	Bend	trans	-121.9	39.6	169.6	-75.5	56.8	0	0	0	112.8	A2258 H2259 C2260	A2258-H2262 PolarHBondContact O-CE1 3.5Å; A2258-H2262 PolarHBondContact O-ND1 2.87Å; H2259-H2262 PolarHBondContact O-N 2.86Å; H2259-H2262 VanDerWaalsContact O-N 3.11Å; C2260-H2262 PolarHBondContact O-N 3.31Å; C2260-H2262 VanDerWaalsContact O-N 3.12Å
2263	S	36.2	Very low	48.1	Very low	98.8 Å²	98.8	107.3 Å²	107.3	69%	0.691	64%	0.636	S	S	*	*			trans	-143.9	48.4	176.1	-158.9	0	0	0	0	115.3	C2260 H2261	C2260-S2263 PolarHBondContact O-N 2.96Å; H2261-S2263 VanDerWaalsContact C-N 3.34Å
2264	T	35.4	Very low	45.9	Very low	126.6 Å²	126.6	111.1 Å²	111.1	78%	0.777	65%	0.654	S	S	*	*			trans	-145.2	70.2	170.8	-21.7	0	0	0	0	113.2
2265	H	37.1	Very low	43.9	Very low	192.4 Å²	192.4	114.5 Å²	114.5	89%	0.891	67%	0.672	S	S	*	*			trans	-148.8	110.6	155.1	-100.3	-70.6	0	0	0	111.1	P2267	H2265-P2267 VanDerWaalsContact O-CD 3.24Å; H2265-P2267 WeakPolarHBondContact O-CD 3.26Å
2266	H	36	Very low	41.8	Very low	177.4 Å²	177.4	118.4 Å²	118.4	82%	0.821	69%	0.691	S	S	*	*			trans	-91	142.7	168.5	-99	-87.8	0	0	0	109.6
2267	P	36.8	Very low	39.7	Very low	114.8 Å²	114.8	121.3 Å²	121.3	75%	0.745	71%	0.709	S	S	*	*			trans	-102.9	134.5	-171.2	30.4	-21.5	0	0	0	111.5	H2265 T2269	H2265-P2267 VanDerWaalsContact O-CD 3.24Å; H2265-P2267 WeakPolarHBondContact O-CD 3.26Å; P2267-T2269 PolarHBondContact O-N 3.02Å; P2267-T2269 VanDerWaalsContact O-N 3.13Å
2268	T	36.1	Very low	37.9	Very low	123.8 Å²	123.8	125.3 Å²	125.3	76%	0.76	73%	0.73	S	S	*	*			trans	-116.1	119.8	171.2	53.8	0	0	0	0	112.1
2269	T	34.4	Very low	36.3	Very low	129.4 Å²	129.4	130.5 Å²	130.5	79%	0.794	75%	0.75	S	S	*	*			trans	11.9	131.4	154.4	42.2	0	0	0	0	116	P2267	P2267-T2269 PolarHBondContact O-N 3.02Å; P2267-T2269 VanDerWaalsContact O-N 3.13Å
2270	S	32.3	Very low	35	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	75%	0.752	S	S	*	*			trans	-124.4	148.6	144.7	-85.8	0	0	0	0	114.2	M2272	S2270-M2272 CarbonylContact O-C 3.45Å; S2270-M2272 PolarHBondContact O-N 3.39Å; S2270-M2272 VanDerWaalsContact O-O 3.11Å
2271	T	33.9	Very low	34	Very low	130.2 Å²	130.2	130.3 Å²	130.3	80%	0.799	76%	0.76	S	S	*	*			trans	-91.6	142.6	151.1	30	0	0	0	0	111.8
2272	M	29.6	Very low	33.3	Very low	164.6 Å²	164.6	130.8 Å²	130.8	81%	0.811	77%	0.766	S	S	*	*			trans	-158.5	133.4	176.3	-72.8	-93.8	129.4	0	0	113.3	S2270	S2270-M2272 CarbonylContact O-C 3.45Å; S2270-M2272 PolarHBondContact O-N 3.39Å; S2270-M2272 VanDerWaalsContact O-O 3.11Å
2273	S	32.3	Very low	32.6	Very low	111 Å²	111	128.6 Å²	128.6	78%	0.776	77%	0.767	S	S	*	*			trans	174	120.4	132	34.5	0	0	0	0	114
2274	V	32.1	Very low	32.5	Very low	124.4 Å²	124.4	131 Å²	131	75%	0.754	77%	0.769	S	S	*	*			trans	6.8	140.6	155.6	175.3	0	0	0	0	113.8	V2276	V2274-V2276 HydrophobicContact CG1-CG2 3.9Å; V2274-V2276 VanDerWaalsContact CG1-N 3.33Å
2275	P	34.2	Very low	32.3	Very low	118.4 Å²	118.4	131 Å²	131	77%	0.769	77%	0.765	S	S	*	*				-126.7	146.3	81.9	31	-14.4	0	0	0	114
2276	V	30.1	Very low	32.2	Very low	124 Å²	124	130 Å²	130	75%	0.752	76%	0.76	S	S	*	*			trans	34.2	117.3	132.6	177	0	0	0	0	114.4	V2274	V2274-V2276 HydrophobicContact CG1-CG2 3.9Å; V2274-V2276 VanDerWaalsContact CG1-N 3.33Å
2277	S	29.9	Very low	32	Very low	103.2 Å²	103.2	127.8 Å²	127.8	72%	0.722	76%	0.759	S	S	*	*			trans	127.7	139.4	148.4	-65.6	0	0	0	0	117.1	L2279	S2277-L2279 PolarHBondContact O-N 2.93Å
2278	T	30.8	Very low	32	Very low	126.4 Å²	126.4	127.4 Å²	127.4	78%	0.775	76%	0.757	S	S	*	*				-164.2	130.9	96.6	14.1	0	0	0	0	112.7
2279	L	29.1	Very low	31.9	Very low	157 Å²	157	131.1 Å²	131.1	82%	0.822	76%	0.763	S	S	*	*			trans	0.2	149.4	147.6	-120.3	73.2	0	0	0	115.6	S2277	S2277-L2279 PolarHBondContact O-N 2.93Å
2280	S	29	Very low	31.8	Very low	97.6 Å²	97.6	130.6 Å²	130.6	68%	0.683	76%	0.759	S	S	*	*			trans	162.6	113.8	172.2	-61.7	0	0	0	0	116.4
2281	T	27.5	Very low	31.8	Very low	114.8 Å²	114.8	135.4 Å²	135.4	70%	0.704	76%	0.762	S	S	*	*			trans	45.4	124.1	130.5	49.6	0	0	0	0	118.7
2282	I	31.6	Very low	31.7	Very low	156 Å²	156	134.9 Å²	134.9	80%	0.8	76%	0.755	S	S	*	*				73.1	121.6	114.7	-60.2	165	0	0	0	116
2283	S	29.4	Very low	31.9	Very low	101.8 Å²	101.8	133.3 Å²	133.3	71%	0.712	75%	0.745	S	S	*	*			trans	-174.4	136.8	147.8	-172.3	0	0	0	0	113
2284	M	33.9	Very low	31.9	Very low	150.2 Å²	150.2	134.8 Å²	134.8	74%	0.74	74%	0.74	S	S	*	*				-158.3	150	100.7	-90.3	-38.6	163.4	0	0	114.7
2285	N	31.7	Very low	31.9	Very low	127 Å²	127	134.8 Å²	134.8	68%	0.679	74%	0.736	S	S	*	*			trans	28.4	128.1	151.6	-66.4	-31.5	0	0	0	118.2	G2400	N2285-G2400 VanDerWaalsContact O-CA 3.3Å; N2285-G2400 WeakPolarHBondContact O-CA 3.39Å
2286	Q	34.4	Very low	31.9	Very low	170.2 Å²	170.2	135.8 Å²	135.8	80%	0.795	73%	0.733	S	S	*	*				155	138.3	101.4	-97.2	167.3	62	0	0	113.2
2287	T	32.9	Very low	32	Very low	132 Å²	132	136.8 Å²	136.8	81%	0.81	73%	0.734	S	S	*	*				-142.5	161.1	115.3	39.9	0	0	0	0	110.4
2288	P	37.4	Very low	32.5	Very low	107 Å²	107	137.2 Å²	137.2	70%	0.695	73%	0.734	S	S	*	*			trans	-121.4	161.3	-167.5	38.1	-26.4	0	0	0	115.7
2289	K	33.5	Very low	32.5	Very low	201.4 Å²	201.4	134.5 Å²	134.5	88%	0.876	73%	0.731	S	S	*	*			trans	134.1	135.4	136.8	-83.1	169.3	-178.6	178.6	0	116.2
2290	V	32.6	Very low	32.6	Very low	118.6 Å²	118.6	136.1 Å²	136.1	72%	0.719	74%	0.737	S	S	*	*			trans	-147.3	139.4	131.6	172.9	0	0	0	0	112.7
2291	Y	32	Very low	32.7	Very low	207.6 Å²	207.6	136.1 Å²	136.1	81%	0.814	74%	0.742	S	S	*	*			trans	72.8	134.2	146.6	-90.1	-102.7	0	0	0	119.5
2292	N	32.2	Very low	32.8	Very low	119.8 Å²	119.8	135.6 Å²	135.6	64%	0.641	74%	0.744	S	S	*	*				96.6	158.7	127.8	-117.5	26.7	0	0	0	116.5
2293	E	32.9	Very low	33	Very low	131.2 Å²	131.2	132.7 Å²	132.7	61%	0.613	74%	0.735	S	S	*	*			cis	172.2	145.9	19.7	-108	-163	134.4	0	0	113.2
2294	Q	33.3	Very low	33.1	Very low	143.2 Å²	143.2	134.3 Å²	134.3	67%	0.669	73%	0.731	S	S	*	*			trans	67.3	142.7	142.3	-66.8	175.4	32.2	0	0	120.8
2295	N	32.1	Very low	33.1	Very low	123.2 Å²	123.2	132.2 Å²	132.2	66%	0.659	72%	0.723	S	S	*	*			cis	160.6	151.6	35.5	-101.7	-19.5	0	0	0	116.5
2296	I	33.7	Very low	33.2	Very low	139.2 Å²	139.2	134.3 Å²	134.3	71%	0.714	72%	0.721	S	S	*	*				88.9	123.8	123.3	-62	164	0	0	0	117.2	S2521 G2522	I2296-S2521 CarbonylContact C-O 3.59Å; I2296-S2521 CarbonylContact O-C 3.41Å; I2296-G2522 CarbonylContact C-O 3.51Å; I2296-G2522 CarbonylContact O-C 3.33Å; I2296-G2522 VanDerWaalsContact O-C 3.29Å; I2296-G2522 WeakPolarHBondContact O-CA 3.37Å
2297	L	33	Very low	33	Very low	146.2 Å²	146.2	134.9 Å²	134.9	77%	0.765	72%	0.716	S	S	*	*			trans	173.1	169.6	162.6	-145.6	71.5	0	0	0	112.8	S2521 G2522 A2523	L2297-S2521 CarbonylContact C-O 3.33Å; L2297-S2521 VanDerWaalsContact C-O 3.27Å; L2297-S2521 WeakPolarHBondContact CA-O 3.4Å; L2297-S2521 PolarHBondContact N-O 3.34Å; L2297-G2522 WeakPolarHBondContact CA-O 3.36Å; L2297-A2523 VanDerWaalsContact CB-O 3.3Å; L2297-A2523 WeakPolarHBondContact CB-O 3.23Å; L2297-A2523 WeakPolarHBondContact CD1-O 3.48Å; L2297-A2523 WeakPolarHBondContact CG-O 3.34Å
2298	P	39.2	Very low	33	Very low	111.6 Å²	111.6	133 Å²	133	73%	0.725	71%	0.708	S	S	*	*				-123.4	177.8	-99.9	39.7	-23.8	0	0	0	114.8	S2521	P2298-S2521 VanDerWaalsContact CA-C 3.46Å; P2298-S2521 WeakPolarHBondContact CA-O 3.41Å
2299	G	31.1	Very low	32.9	Very low	69.6 Å²	69.6	136.9 Å²	136.9	72%	0.718	71%	0.71	S	S	*	*			trans	-178.5	107.9	166.5	0	0	0	0	0	112.1
2300	M	31	Very low	32.9	Very low	190.8 Å²	190.8	132.4 Å²	132.4	94%	0.94	70%	0.704	S	S	*	*				45.3	125.4	99.4	-60.3	-171.1	75.2	0	0	115.5
2301	A	30.8	Very low	33	Very low	97 Å²	97	129.8 Å²	129.8	80%	0.802	70%	0.702	S	S	*	*				-160.1	155.8	109.7	0	0	0	0	0	113
2302	S	30.3	Very low	33.1	Very low	104.4 Å²	104.4	128 Å²	128	73%	0.73	70%	0.701	S	S	*	*			trans	136.5	157.4	159.7	-133.6	0	0	0	0	112.7	I2543	S2302-I2543 WeakPolarHBondContact OG-CD1 3.5Å
2303	P	35.8	Very low	33.2	Very low	94 Å²	94	133.2 Å²	133.2	61%	0.61	71%	0.711	S	S	*	*			cis	-128.6	-178.1	-3.2	37.4	-20.9	0	0	0	116.1
2304	H	32.3	Very low	33.3	Very low	136.2 Å²	136.2	137 Å²	137	63%	0.631	72%	0.72	S	S	*	*			trans	63.7	157.1	164	-70.4	-77.8	0	0	0	119.4	N2549 D2551	H2304-N2549 WeakPolarHBondContact CD2-CB 3.47Å; H2304-N2549 PolarHBondContact CD2-OD1 3.12Å; H2304-N2549 WeakPolarHBondContact NE2-CB 3.03Å; H2304-D2551 HydrophobicContact CB-CB 3.92Å; H2304-D2551 PolarHBondContact CE1-O 3.2Å; H2304-D2551 VanDerWaalsContact ND1-CA 3.31Å; H2304-D2551 WeakPolarHBondContact ND1-CA 2.91Å; H2304-D2551 VanDerWaalsContact ND1-CB 3.27Å; H2304-D2551 WeakPolarHBondContact ND1-CB 3.25Å; H2304-D2551 PolarHBondContact ND1-N 3.43Å; H2304-D2551 PolarHBondContact ND1-O 2.81Å
2305	N	32.2	Very low	33.2	Very low	106.6 Å²	106.6	135.3 Å²	135.3	57%	0.57	72%	0.724	S	S	*	*				-170.3	143.5	70.5	-141.6	-20.7	0	0	0	114.3	R2307 F2550 D2551	N2305-R2307 PolarHBondContact OD1-N 3.14Å; N2305-R2307 VanDerWaalsContact OD1-N 3.1Å; N2305-F2550 WeakPolarHBondContact OD1-CA 3.12Å; N2305-F2550 WeakPolarHBondContact OD1-CB 3.16Å; N2305-F2550 PolarHBondContact OD1-N 3.39Å; N2305-F2550 PolarHBondContact OD1-O 3.19Å; N2305-D2551 VanDerWaalsContact CA-OD2 3.3Å; N2305-D2551 WeakPolarHBondContact CA-OD2 3.45Å; N2305-D2551 PolarHBondContact N-OD2 3.43Å
2306	R	33.3	Very low	33.3	Very low	171 Å²	171	137 Å²	137	65%	0.645	73%	0.732	S	S	*	*			trans	62.8	129.4	145.8	-73.8	-174.1	-160.5	-142.1	4.8	118.6	P2548 F2550 D2551 S2554	R2306-P2548 PolarHBondContact NH2-O 3.05Å; R2306-F2550 WeakPolarHBondContact CA-O 3.46Å; R2306-F2550 HydrophobicContact CG-CB 3.4Å; R2306-F2550 HydrophobicContact CG-CD1 4.09Å; R2306-F2550 HydrophobicContact CG-CG 4.01Å; R2306-F2550 VanDerWaalsContact CZ-CD2 3.5Å; R2306-F2550 PolarHBondContact N-O 2.81Å; R2306-D2551 PolarHBondContact N-OD2 3.02Å; R2306-S2554 WeakPolarHBondContact CA-OG 3.27Å; R2306-S2554 PolarHBondContact O-OG 3.42Å
2307	R	31.6	Very low	33.3	Very low	182.4 Å²	182.4	138 Å²	138	69%	0.688	74%	0.738	S	S	*	*				118.6	126.2	86	-160.2	-178.9	-150.5	-144.8	4.2	116.3	N2305 Y2309 S2554 P2555 F2558	N2305-R2307 PolarHBondContact OD1-N 3.14Å; N2305-R2307 VanDerWaalsContact OD1-N 3.1Å; R2307-Y2309 WeakPolarHBondContact CD-OH 3.09Å; R2307-Y2309 HydrophobicContact CG-CD2 4.5Å; R2307-Y2309 HydrophobicContact CG-CE2 4.31Å; R2307-Y2309 PolarHBondContact NH1-OH 3.4Å; R2307-S2554 PolarHBondContact N-OG 2.8Å; R2307-P2555 VanDerWaalsContact O-CD 3.23Å; R2307-P2555 WeakPolarHBondContact O-CD 3.17Å; R2307-F2558 HydrophobicContact CB-CD1 3.72Å; R2307-F2558 HydrophobicContact CB-CE1 3.86Å; R2307-F2558 HydrophobicContact CB-CG 4.17Å; R2307-F2558 HydrophobicContact CB-CZ 4.43Å; R2307-F2558 HydrophobicContact CG-CE1 4.46Å
2308	S	32.9	Very low	33.3	Very low	92.8 Å²	92.8	136.6 Å²	136.6	65%	0.649	74%	0.735	S	S	*	*			trans	143.4	164.7	144.4	-62.1	0	0	0	0	116.5
2309	Y	34.7	Very low	32.8	Very low	188.8 Å²	188.8	136.8 Å²	136.8	74%	0.74	74%	0.735	S	S	*	*			trans	176.4	149.5	163.4	-78.7	-70.1	0	0	0	114.3	R2307 F2558	R2307-Y2309 WeakPolarHBondContact CD-OH 3.09Å; R2307-Y2309 HydrophobicContact CG-CD2 4.5Å; R2307-Y2309 HydrophobicContact CG-CE2 4.31Å; R2307-Y2309 PolarHBondContact NH1-OH 3.4Å; Y2309-F2558 HydrophobicContact CE2-CD2 4.48Å; Y2309-F2558 HydrophobicContact CE2-CE2 4.22Å; Y2309-F2558 WeakPolarHBondContact OH-CE2 3.06Å; Y2309-F2558 WeakPolarHBondContact OH-CZ 2.91Å
2310	S	34.6	Very low	32.9	Very low	105.8 Å²	105.8	139.6 Å²	139.6	74%	0.74	74%	0.738	S	S	*	*			trans	120	149.4	-170.3	56.9	0	0	0	0	114.7	D1824	D1824-S2310 PolarHBondContact OD2-OG 3.31Å
2311	G	34	Very low	32.8	Very low	65 Å²	65	135 Å²	135	67%	0.67	72%	0.724	S	S	*	*				168.4	124.4	111.4	0	0	0	0	0	115.6	R2313	G2311-R2313 PolarHBondContact O-N 2.85Å
2312	Q	34.4	Very low	32.9	Very low	169.6 Å²	169.6	136.8 Å²	136.8	79%	0.793	73%	0.725	S	S	*	*			trans	-136.2	133.2	158.2	-90.9	176.6	-0.8	0	0	111.8	E1811 P1812 R2314	E1811-Q2312 CarbonylContact C-O 3.39Å; E1811-Q2312 WeakPolarHBondContact CA-O 2.89Å; E1811-Q2312 WeakPolarHBondContact CB-O 2.98Å; E1811-Q2312 VanDerWaalsContact CD-O 3.29Å; E1811-Q2312 WeakPolarHBondContact CG-O 3.44Å; E1811-Q2312 WeakPolarHBondContact OE1-CB 3.46Å; E1811-Q2312 PolarHBondContact OE1-N 3.21Å; P1812-Q2312 CarbonylContact C-O 3.35Å; P1812-Q2312 VanDerWaalsContact CD-O 3.26Å; P1812-Q2312 WeakPolarHBondContact CD-O 3.27Å; P1812-Q2312 CarbonylContact O-C 3.55Å; Q2312-R2314 PolarHBondContact O-N 3.43Å
2313	R	33.7	Very low	32.8	Very low	227.8 Å²	227.8	137.2 Å²	137.2	86%	0.86	73%	0.727	S	S	*	*			trans	-51.8	126.1	154.3	-71.5	-172.8	167.7	-150.1	-6.6	114.8	E1811 P1812 G2311 S2315	E1811-R2313 CarbonylContact C-O 3.09Å; E1811-R2313 WeakPolarHBondContact CA-O 3.28Å; E1811-R2313 HydrophobicContact CB-CB 4.39Å; E1811-R2313 VanDerWaalsContact CB-O 3.24Å; E1811-R2313 WeakPolarHBondContact CB-O 3Å; E1811-R2313 PolarHBondContact N-O 3.32Å; E1811-R2313 CarbonylContact O-C 2.9Å; P1812-R2313 PolarHBondContact O-N 3.44Å; G2311-R2313 PolarHBondContact O-N 2.85Å; R2313-S2315 PolarHBondContact O-N 3.29Å
2314	R	35.1	Very low	32.6	Very low	211.8 Å²	211.8	138.1 Å²	138.1	80%	0.799	74%	0.735	S	S	*	*			trans	-124.6	142.8	176.9	-94	-177.7	179.8	-160.2	-1.4	111.5	I1808 S1809 E1811 Q2312 L2316	I1808-R2314 VanDerWaalsContact CG1-NH1 3.32Å; S1809-R2314 WeakPolarHBondContact O-CD 3.18Å; S1809-R2314 PolarHBondContact O-NE 2.81Å; S1809-R2314 VanDerWaalsContact O-NE 3.13Å; E1811-R2314 PolarHBondContact O-N 2.94Å; Q2312-R2314 PolarHBondContact O-N 3.43Å; R2314-L2316 PolarHBondContact O-N 3.16Å
2315	S	32	Very low	32.8	Very low	106.8 Å²	106.8	137.6 Å²	137.6	75%	0.747	74%	0.744	S	S	*	*			trans	-20.4	122.1	157.9	68	0	0	0	0	112.5	R2313 L2317	R2313-S2315 PolarHBondContact O-N 3.29Å; S2315-L2317 PolarHBondContact O-N 2.74Å
2316	L	33.3	Very low	32.7	Very low	159.2 Å²	159.2	138 Å²	138	83%	0.834	76%	0.755	S	S	*	*			trans	-53.7	111.6	132.7	-72.8	157.7	0	0	0	111.9	R2314 V2318	R2314-L2316 PolarHBondContact O-N 3.16Å; L2316-V2318 PolarHBondContact O-N 3.26Å
2317	L	33.2	Very low	32.5	Very low	160.4 Å²	160.4	139.3 Å²	139.3	84%	0.84	77%	0.765	S	S	*	*			trans	-107.8	116.6	148.9	-117.2	148	0	0	0	110.5	S2315 T2319	S2315-L2317 PolarHBondContact O-N 2.74Å; L2317-T2319 PolarHBondContact O-N 3.1Å; L2317-T2319 PolarHBondContact O-OG1 2.96Å
2318	V	33.5	Very low	32.5	Very low	117.6 Å²	117.6	136.6 Å²	136.6	71%	0.713	77%	0.769	S	S	*	*			trans	-48.5	98.3	166.2	-179.2	0	0	0	0	112.7	L2316 V2320	L2316-V2318 PolarHBondContact O-N 3.26Å; V2318-V2320 HydrophobicContact CG1-CB 4.44Å; V2318-V2320 HydrophobicContact CG1-CG1 4.09Å; V2318-V2320 HydrophobicContact CG1-CG2 4.31Å; V2318-V2320 PolarHBondContact O-N 3.13Å; V2318-V2320 VanDerWaalsContact O-N 3.12Å
2319	T	28.9	Very low	32.4	Very low	115.4 Å²	115.4	139.1 Å²	139.1	71%	0.708	78%	0.776	S	S	*	*			trans	-79.2	108.8	168.5	-34.6	0	0	0	0	110.3	L2317 S2321	L2317-T2319 PolarHBondContact O-N 3.1Å; L2317-T2319 PolarHBondContact O-OG1 2.96Å; T2319-S2321 VanDerWaalsContact C-N 3.28Å; T2319-S2321 PolarHBondContact O-N 3.27Å
2320	V	33.2	Very low	32.2	Very low	128.8 Å²	128.8	136.1 Å²	136.1	78%	0.781	78%	0.777	S	S	*	*			trans	-92.8	95.6	165.2	-79.8	0	0	0	0	110.3	V2318 T2322	V2318-V2320 HydrophobicContact CG1-CB 4.44Å; V2318-V2320 HydrophobicContact CG1-CG1 4.09Å; V2318-V2320 HydrophobicContact CG1-CG2 4.31Å; V2318-V2320 PolarHBondContact O-N 3.13Å; V2318-V2320 VanDerWaalsContact O-N 3.12Å; V2320-T2322 VanDerWaalsContact C-N 3.28Å; V2320-T2322 PolarHBondContact O-N 3.09Å
2321	S	29.6	Very low	32.1	Very low	92.6 Å²	92.6	136 Å²	136	65%	0.648	78%	0.776	S	S	*	*			trans	-75.8	119.9	178.5	-60.6	0	0	0	0	111.6	T2319 C2323	T2319-S2321 VanDerWaalsContact C-N 3.28Å; T2319-S2321 PolarHBondContact O-N 3.27Å; S2321-C2323 PolarHBondContact O-N 3.2Å; S2321-C2323 PolarHBondContact O-SG 3.21Å
2322	T	31.9	Very low	32	Very low	136.4 Å²	136.4	137.8 Å²	137.8	84%	0.837	78%	0.779	S	S	*	*			trans	-83.6	107.7	156.9	46.6	0	0	0	0	111.4	V2320 S2324	V2320-T2322 VanDerWaalsContact C-N 3.28Å; V2320-T2322 PolarHBondContact O-N 3.09Å; T2322-S2324 PolarHBondContact O-N 3.22Å
2323	C	29.4	Very low	31.9	Very low	111.8 Å²	111.8	140.8 Å²	140.8	76%	0.755	78%	0.783	S	S	*	*			trans	-94.9	134	-175.9	-41.3	0	0	0	0	111.5	S2321	S2321-C2323 PolarHBondContact O-N 3.2Å; S2321-C2323 PolarHBondContact O-SG 3.21Å
2324	S	30.8	Very low	31.8	Very low	113.8 Å²	113.8	135.4 Å²	135.4	80%	0.796	78%	0.78	S	S	*	*			trans	-102.5	133.7	163	-66.8	0	0	0	0	112	T2322 S2326	T2322-S2324 PolarHBondContact O-N 3.22Å; S2324-S2326 PolarHBondContact O-N 3.03Å; S2324-S2326 VanDerWaalsContact O-N 3.15Å
2325	P	35.6	Very low	31.6	Very low	124.8 Å²	124.8	129.8 Å²	129.8	81%	0.81	78%	0.779	S	S	*	*			trans	-94.2	124.6	-178.3	34.3	-32.2	0	0	0	113.4	K2327	P2325-K2327 VanDerWaalsContact C-N 3.3Å; P2325-K2327 PolarHBondContact O-N 3Å
2326	S	31	Very low	31.5	Very low	115.4 Å²	115.4	133.1 Å²	133.1	81%	0.807	78%	0.78	S	S	*	*			trans	-84.1	127.5	166.8	47.9	0	0	0	0	112	S2324	S2324-S2326 PolarHBondContact O-N 3.03Å; S2324-S2326 VanDerWaalsContact O-N 3.15Å
2327	K	29.3	Very low	31.3	Very low	198 Å²	198	132.5 Å²	132.5	86%	0.861	78%	0.777	S	S	*	*			trans	-115.3	124.5	162.9	-100	179.2	178.9	177.6	0	110.4	P2325	P2325-K2327 VanDerWaalsContact C-N 3.3Å; P2325-K2327 PolarHBondContact O-N 3Å
2328	T	30.9	Very low	31.2	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	77%	0.774	S	S	*	*			trans	-121	159	136	40.1	0	0	0	0	113.4
2329	N	31.4	Very low	31.2	Very low	147.2 Å²	147.2	130.6 Å²	130.6	79%	0.787	78%	0.776	S	S	*	*			trans	89.8	121.7	168.4	-93.5	4.3	0	0	0	116.2	S2331	N2329-S2331 PolarHBondContact O-N 2.97Å
2330	T	31.4	Very low	31.6	Very low	124.6 Å²	124.6	130.2 Å²	130.2	76%	0.764	78%	0.775	S	S	*	*				176	136.6	110.7	39.3	0	0	0	0	115.1
2331	S	31.7	Very low	31.4	Very low	104.4 Å²	104.4	131.1 Å²	131.1	73%	0.73	78%	0.776	S	S	*	*				110.3	125.2	124	-134.3	0	0	0	0	114.3	N2329	N2329-S2331 PolarHBondContact O-N 2.97Å
2332	S	31.7	Very low	31.5	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	78%	0.775	S	S	*	*				176.9	143.9	98.2	-74.7	0	0	0	0	114
2333	R	32.3	Very low	31.5	Very low	232 Å²	232	131.3 Å²	131.3	88%	0.875	77%	0.77	S	S	*	*			trans	92.2	145.6	140	-85.8	-179	169.3	-159.3	-2.2	117.9
2334	S	30.7	Very low	31.7	Very low	115.2 Å²	115.2	133.1 Å²	133.1	81%	0.806	77%	0.769	S	S	*	*			trans	108.9	131.6	161	-57.3	0	0	0	0	114.6
2335	A	31.9	Very low	31.7	Very low	92.8 Å²	92.8	132.9 Å²	132.9	77%	0.767	77%	0.767	S	S	*	*			cis	175.9	153.4	-0.2	0	0	0	0	0	111.3
2336	K	30.3	Very low	31.6	Very low	176.8 Å²	176.8	130.6 Å²	130.6	77%	0.769	77%	0.766	S	S	*	*			trans	169	148.3	170.1	-99.2	-177.1	170.4	-173.7	0	113.7	E1837	E1837-K2336 IonicContact OE1-NZ 3.71Å; E1837-K2336 PolarHBondContact OE1-NZ 3.47Å; E1837-K2336 VanDerWaalsContact OE2-CD 3.29Å; E1837-K2336 WeakPolarHBondContact OE2-CD 3.44Å; E1837-K2336 IonicContact OE2-NZ 3.44Å; E1837-K2336 PolarHBondContact OE2-NZ 2.87Å
2337	L	29.3	Very low	31.6	Very low	146.4 Å²	146.4	134 Å²	134	77%	0.766	77%	0.769	S	S	*	*			trans	89.5	139.6	140.1	-76.3	168.8	0	0	0	114.9
2338	V	30.9	Very low	32.1	Very low	131.2 Å²	131.2	129.6 Å²	129.6	80%	0.795	76%	0.76	S	S	*	*				117.3	134	106.7	-178.1	0	0	0	0	114.2
2339	S	32.4	Very low	32.1	Very low	107.2 Å²	107.2	129.8 Å²	129.8	75%	0.75	76%	0.761	S	S	*	*			trans	-108	176.5	162.9	-79.5	0	0	0	0	112.5
2340	P	36.9	Very low	32	Very low	106.4 Å²	106.4	126.9 Å²	126.9	69%	0.691	76%	0.757	S	S	*	*				-133	-177.2	61.3	40.5	-27.4	0	0	0	115.9	A2342	P2340-A2342 HydrophobicContact CB-CB 4.33Å
2341	N	29.6	Very low	31.9	Very low	148.6 Å²	148.6	127 Å²	127	80%	0.795	76%	0.758	S	S	*	*			trans	58	146.8	154.8	-72.1	-18	0	0	0	115.6
2342	A	31.2	Very low	31.8	Very low	74.6 Å²	74.6	127.6 Å²	127.6	62%	0.617	76%	0.761	S	S	*	*			cis	178.4	163	-1.2	0	0	0	0	0	112.3	P2340	P2340-A2342 HydrophobicContact CB-CB 4.33Å
2343	H	32	Very low	31.7	Very low	159 Å²	159	127.9 Å²	127.9	74%	0.736	76%	0.763	S	S	*	*			trans	86.7	145.7	151.8	-99.4	-126.3	0	0	0	117.1
2344	M	33.7	Very low	31.8	Very low	149.2 Å²	149.2	123.1 Å²	123.1	74%	0.735	76%	0.759	S	S	*	*				65.5	135.3	118.9	-64.9	-61.7	136.2	0	0	116.4
2345	S	31.6	Very low	31.8	Very low	109.8 Å²	109.8	124.3 Å²	124.3	77%	0.768	76%	0.757	S	S	*	*				109.9	123.2	95.9	107.9	0	0	0	0	112.6
2346	G	34	Very low	31.8	Very low	75.6 Å²	75.6	129.2 Å²	129.2	78%	0.779	76%	0.761	S	S	*	*			trans	-178	105.7	179.1	0	0	0	0	0	113.5
2347	H	30.9	Very low	32.1	Very low	187.8 Å²	187.8	126 Å²	126	87%	0.869	76%	0.759	S	S	*	*			trans	-48	175.3	172.7	-106.4	-49.4	0	0	0	112.9
2348	P	38.7	Very low	32.2	Very low	104.8 Å²	104.8	123.9 Å²	123.9	68%	0.681	76%	0.756	S	S	*	*			cis	-121.6	-174.2	-49.6	34.8	-15.2	0	0	0	114.9
2349	V	31.5	Very low	32.2	Very low	130 Å²	130	123.6 Å²	123.6	79%	0.788	75%	0.754	S	S	*	*			trans	94.9	120.2	153.4	-177.8	0	0	0	0	117.2	T2351	V2349-T2351 HydrophobicContact CG1-CG2 4.1Å
2350	A	29.5	Very low	32.1	Very low	85.4 Å²	85.4	126.4 Å²	126.4	71%	0.706	76%	0.755	S	S	*	*			trans	92.6	124.6	149.8	0	0	0	0	0	116.6
2351	T	28.8	Very low	31.8	Very low	127.8 Å²	127.8	126.6 Å²	126.6	78%	0.784	75%	0.754	S	S	*	*				116.2	143	114.2	26.2	0	0	0	0	116.5	V2349	V2349-T2351 HydrophobicContact CG1-CG2 4.1Å
2352	C	30.8	Very low	31.8	Very low	115 Å²	115	125.3 Å²	125.3	78%	0.777	75%	0.752	S	S	*	*			trans	93.5	133.4	162	-52.9	0	0	0	0	116.3
2353	S	28.9	Very low	31.7	Very low	111.2 Å²	111.2	128.6 Å²	128.6	78%	0.778	76%	0.759	S	S	*	*				85.8	139	127.1	-49.7	0	0	0	0	116.1
2354	V	33.2	Very low	31.5	Very low	129.4 Å²	129.4	126 Å²	126	78%	0.784	76%	0.758	S	S	*	*				160.4	144.7	119.6	-143.7	0	0	0	0	113
2355	D	31.6	Very low	31.4	Very low	141.4 Å²	141.4	124.4 Å²	124.4	76%	0.756	76%	0.757	S	S	*	*			trans	75	141.2	160.3	-79.7	-36.6	0	0	0	118.7
2356	F	31	Very low	31.5	Very low	194.8 Å²	194.8	126.4 Å²	126.4	85%	0.854	76%	0.758	S	S	*	*			trans	-41.9	164	150.7	-76.8	-84	0	0	0	115.6
2357	P	37.8	Very low	31.5	Very low	111.2 Å²	111.2	128.2 Å²	128.2	72%	0.722	76%	0.756	S	S	*	*				-124.7	-168.8	-102.7	39.4	-22.4	0	0	0	113.9
2358	S	30.5	Very low	31.4	Very low	102.4 Å²	102.4	124.4 Å²	124.4	72%	0.716	75%	0.749	S	S	*	*			trans	65	124.9	150.4	-135.1	0	0	0	0	117.6
2359	V	31.4	Very low	31	Very low	124 Å²	124	125.3 Å²	125.3	75%	0.752	75%	0.753	S	S	*	*				118.3	133	71.3	167.3	0	0	0	0	111.2
2360	H	30.1	Very low	31.1	Very low	166.8 Å²	166.8	124.8 Å²	124.8	77%	0.772	76%	0.755	S	S	*	*			trans	125.6	148.7	143.8	-111.7	-72.9	0	0	0	117.6
2361	V	30	Very low	31.2	Very low	109.6 Å²	109.6	124.2 Å²	124.2	66%	0.664	76%	0.757	S	S	*	*				76.6	128.5	115.9	164.4	0	0	0	0	113.2	N2363	V2361-N2363 HydrophobicContact CG1-CB 4.14Å
2362	T	31.1	Very low	31.3	Very low	122.2 Å²	122.2	126 Å²	126	75%	0.75	76%	0.761	S	S	*	*				-165.3	144.4	96.4	29.7	0	0	0	0	112
2363	N	28.3	Very low	31.5	Very low	143.8 Å²	143.8	125.9 Å²	125.9	77%	0.769	76%	0.759	S	S	*	*			trans	36.9	143.3	146.3	-93.4	0.7	0	0	0	117.6	V2361	V2361-N2363 HydrophobicContact CG1-CB 4.14Å
2364	S	28.5	Very low	31.6	Very low	102.8 Å²	102.8	129 Å²	129	72%	0.719	76%	0.761	S	S	*	*				89	144.4	123.3	-106.1	0	0	0	0	116.8
2365	T	30.6	Very low	31.8	Very low	116.4 Å²	116.4	127.7 Å²	127.7	71%	0.714	76%	0.755	S	S	*	*			cis	-167.2	153.2	33.1	-67.1	0	0	0	0	108.9
2366	I	33.5	Very low	31.8	Very low	153 Å²	153	130.1 Å²	130.1	79%	0.785	76%	0.759	S	S	*	*			trans	91.5	141.1	140.9	-71.4	166.6	0	0	0	113.4
2367	P	35.3	Very low	31.8	Very low	112.4 Å²	112.4	127.9 Å²	127.9	73%	0.73	75%	0.754	S	S	*	*			trans	-120.1	-161.2	-155.5	36.5	-20.9	0	0	0	113.5
2368	C	27.6	Very low	31.5	Very low	107.6 Å²	107.6	127.5 Å²	127.5	73%	0.727	75%	0.754	S	S	*	*			trans	169.1	144.2	168.3	-88.1	0	0	0	0	114.7
2369	T	30.8	Very low	31.6	Very low	124.4 Å²	124.4	127.5 Å²	127.5	76%	0.763	75%	0.754	S	S	*	*				148.3	137.9	109	38	0	0	0	0	116.2
2370	S	32.9	Very low	31.6	Very low	118.4 Å²	118.4	128.7 Å²	128.7	83%	0.828	76%	0.756	S	S	*	*				100.2	138	88.8	-47.5	0	0	0	0	118.1
2371	G	32.7	Very low	31.8	Very low	73 Å²	73	128.1 Å²	128.1	75%	0.753	76%	0.758	S	S	*	*			trans	154.4	125.6	145	0	0	0	0	0	116.3
2372	L	31.3	Very low	32	Very low	167 Å²	167	131.2 Å²	131.2	87%	0.874	77%	0.765	S	S	*	*				20.2	155.1	110.8	-74.2	155.3	0	0	0	115.1
2373	P	34.9	Very low	32.3	Very low	112.6 Å²	112.6	132.6 Å²	132.6	73%	0.731	77%	0.767	S	S	*	*			cis	-129.9	-170.4	-12.9	37.9	-19.1	0	0	0	114.5
2374	H	29.8	Very low	32.8	Very low	176.6 Å²	176.6	131 Å²	131	82%	0.818	77%	0.765	S	S	*	*			trans	-74.3	173.6	157.6	-94.8	-56.4	0	0	0	114.2
2375	P	37.1	Very low	33.1	Very low	101.6 Å²	101.6	131.3 Å²	131.3	66%	0.66	77%	0.767	S	S	*	*			cis	-124.4	-173.8	-36.6	35.2	-17.1	0	0	0	114.5	I2377	P2375-I2377 HydrophobicContact CB-CD1 4.19Å; P2375-I2377 HydrophobicContact CB-CG1 4.23Å; P2375-I2377 HydrophobicContact CG-CD1 3.61Å; P2375-I2377 HydrophobicContact CG-CG1 4.2Å
2376	K	32.2	Very low	33.5	Very low	191 Å²	191	133.3 Å²	133.3	83%	0.83	77%	0.772	S	S	*	*			trans	-174.8	133.8	141.8	-92.1	177.1	176.4	-178.5	0	112.6	S2378	K2376-S2378 PolarHBondContact O-N 3.39Å
2377	I	30.9	Very low	33.6	Very low	148.2 Å²	148.2	131.8 Å²	131.8	76%	0.76	77%	0.772	S	S	*	*				20.8	122.5	111.8	-43.5	173.6	0	0	0	112.5	P2375 S2379	P2375-I2377 HydrophobicContact CB-CD1 4.19Å; P2375-I2377 HydrophobicContact CB-CG1 4.23Å; P2375-I2377 HydrophobicContact CG-CD1 3.61Å; P2375-I2377 HydrophobicContact CG-CG1 4.2Å; I2377-S2379 PolarHBondContact O-N 2.68Å
2378	S	31.4	Very low	33.6	Very low	103.2 Å²	103.2	130 Å²	130	72%	0.722	77%	0.774	S	S	*	*				-162.1	155.2	118	-86.3	0	0	0	0	114.1	K2376	K2376-S2378 PolarHBondContact O-N 3.39Å
2379	S	33.1	Very low	34	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	78%	0.779	S	S	*	*			trans	-18.5	120	166.8	51.5	0	0	0	0	115.2	I2377 L2381	I2377-S2379 PolarHBondContact O-N 2.68Å; S2379-L2381 PolarHBondContact O-N 2.76Å; S2379-L2381 VanDerWaalsContact O-N 3.12Å
2380	D	31.8	Very low	34.1	Very low	148.6 Å²	148.6	132.6 Å²	132.6	80%	0.795	78%	0.78	S	S	*	*				-153.8	142.6	114.9	-113.4	-46.5	0	0	0	112.6
2381	L	34.4	Very low	34	Very low	155.2 Å²	155.2	131 Å²	131	81%	0.813	77%	0.774	S	S	*	*			trans	-98.7	126	175.4	-84	129.1	0	0	0	113.2	S2379 L2383	S2379-L2381 PolarHBondContact O-N 2.76Å; S2379-L2381 VanDerWaalsContact O-N 3.12Å; L2381-L2383 PolarHBondContact O-N 3.03Å; L2381-L2383 VanDerWaalsContact O-N 3.11Å
2382	Q	33.8	Very low	34.1	Very low	174.2 Å²	174.2	133.2 Å²	133.2	81%	0.814	78%	0.777	S	S	*	*			trans	-143.1	116.9	148.3	-136	165.3	9.5	0	0	113.3
2383	L	37.5	Very low	34.2	Very low	150.6 Å²	150.6	129.8 Å²	129.8	79%	0.788	77%	0.773	S	S	*	*			trans	-113.9	154.1	166.8	-77	173.9	0	0	0	111.3	L2381 S2385	L2381-L2383 PolarHBondContact O-N 3.03Å; L2381-L2383 VanDerWaalsContact O-N 3.11Å; L2383-S2385 PolarHBondContact O-N 3.36Å; L2383-S2385 VanDerWaalsContact O-N 3.15Å
2384	P	38.6	Very low	34.2	Very low	112.2 Å²	112.2	129.9 Å²	129.9	73%	0.729	77%	0.774	S	S	*	*			trans	-98.9	163.1	171.3	35.7	-32.6	0	0	0	113.3	I2386	P2384-I2386 PolarHBondContact O-N 3.22Å
2385	S	34.9	Very low	34.4	Very low	108.8 Å²	108.8	129 Å²	129	76%	0.761	77%	0.774	S	S	*	*			trans	-131.6	140.6	160.5	-61.3	0	0	0	0	114.1	L2383 P2387	L2383-S2385 PolarHBondContact O-N 3.36Å; L2383-S2385 VanDerWaalsContact O-N 3.15Å; S2385-P2387 WeakPolarHBondContact O-CD 3.47Å
2386	I	38.8	Very low	34.2	Very low	158 Å²	158	131 Å²	131	81%	0.81	78%	0.779	S	S	*	*			trans	-128.6	132.4	172.2	-58.3	178.9	0	0	0	112.2	P2384 G2388	P2384-I2386 PolarHBondContact O-N 3.22Å; I2386-G2388 PolarHBondContact O-N 3.47Å
2387	P	35.8	Very low	34.3	Very low	121.4 Å²	121.4	129 Å²	129	79%	0.788	78%	0.777	S	S	*	*			trans	-90.4	157.2	-173.6	3.6	13.8	0	0	0	113.2	S2385	S2385-P2387 WeakPolarHBondContact O-CD 3.47Å
2388	G	35.4	Very low	34.4	Very low	74.2 Å²	74.2	127.3 Å²	127.3	77%	0.765	78%	0.775	S	S	*	*			trans	152	-36.4	157.9	0	0	0	0	0	115.8	I2386 N2390	I2386-G2388 PolarHBondContact O-N 3.47Å; G2388-N2390 PolarHBondContact O-N 2.96Å
2389	V	35.3	Very low	34.5	Very low	137.4 Å²	137.4	128.5 Å²	128.5	83%	0.833	78%	0.778	S	S	*	*			trans	-79	117.7	179.9	-102	0	0	0	0	114.1	A2391	V2389-A2391 PolarHBondContact O-N 3.46Å; V2389-A2391 VanDerWaalsContact O-N 3.07Å
2390	N	34.3	Very low	34.4	Very low	148.6 Å²	148.6	126.6 Å²	126.6	80%	0.795	77%	0.774	S	S	*	*			trans	-131	100.9	165.2	-133.9	-3.9	0	0	0	113.3	G2388 C2392	G2388-N2390 PolarHBondContact O-N 2.96Å; N2390-C2392 VanDerWaalsContact C-N 3.35Å; N2390-C2392 PolarHBondContact O-N 2.87Å; N2390-C2392 WeakPolarHBondContact OD1-CB 3.41Å; N2390-C2392 PolarHBondContact OD1-SG 2.84Å
2391	A	30.4	Very low	34.4	Very low	85.4 Å²	85.4	128.2 Å²	128.2	71%	0.706	78%	0.777	S	S	*	*			trans	-106.5	114.4	144.3	0	0	0	0	0	114.1	V2389 A2393	V2389-A2391 PolarHBondContact O-N 3.46Å; V2389-A2391 VanDerWaalsContact O-N 3.07Å; A2391-A2393 PolarHBondContact O-N 3.34Å
2392	C	34.2	Very low	34.3	Very low	120.2 Å²	120.2	126.4 Å²	126.4	81%	0.812	77%	0.773	S	S	*	*			trans	78.1	105.2	167.9	-68.8	0	0	0	0	116.6	N2390	N2390-C2392 VanDerWaalsContact C-N 3.35Å; N2390-C2392 PolarHBondContact O-N 2.87Å; N2390-C2392 WeakPolarHBondContact OD1-CB 3.41Å; N2390-C2392 PolarHBondContact OD1-SG 2.84Å
2393	A	33.9	Very low	34.2	Very low	95.2 Å²	95.2	125.1 Å²	125.1	79%	0.787	77%	0.771	S	S	*	*			trans	-177.6	156.1	157.9	0	0	0	0	0	113.1	A2391	A2391-A2393 PolarHBondContact O-N 3.34Å
2394	P	34.6	Very low	34	Very low	114.6 Å²	114.6	122.9 Å²	122.9	74%	0.744	77%	0.768	S	S	*	*			trans	-107.5	156.5	168.7	33.7	-23.1	0	0	0	113.5	N2396	P2394-N2396 PolarHBondContact O-N 3.38Å
2395	L	34	Very low	33.7	Very low	158.4 Å²	158.4	123.5 Å²	123.5	83%	0.829	77%	0.77	S	S	*	*			trans	-114.4	118.6	153.9	-78.9	166.5	0	0	0	115	L2397	L2395-L2397 PolarHBondContact O-N 3Å
2396	N	32.5	Very low	33.5	Very low	143 Å²	143	129.1 Å²	129.1	77%	0.765	78%	0.775	S	S	*	*			trans	-23.1	125.6	147	-76	-27.1	0	0	0	116	P2394	P2394-N2396 PolarHBondContact O-N 3.38Å
2397	L	33.9	Very low	33.3	Very low	149 Å²	149	127.7 Å²	127.7	78%	0.78	77%	0.773	S	S	*	*			trans	-95.1	149.8	133.8	-77.2	163.9	0	0	0	112.8	L2395 V2399	L2395-L2397 PolarHBondContact O-N 3Å; L2397-V2399 HydrophobicContact CB-CG2 3.95Å; L2397-V2399 HydrophobicContact CD1-CG2 4.05Å; L2397-V2399 HydrophobicContact CD2-CG2 4.13Å; L2397-V2399 HydrophobicContact CG-CG2 4.26Å; L2397-V2399 PolarHBondContact O-N 3.07Å
2398	P	35	Very low	33.2	Very low	112 Å²	112	127 Å²	127	73%	0.727	77%	0.767	S	S	*	*				-111.7	150.7	54.4	24	-14.3	0	0	0	113.5
2399	V	31.6	Very low	33.1	Very low	128.6 Å²	128.6	133.8 Å²	133.8	78%	0.779	77%	0.769	S	S	*	*				43.1	101.9	121	-170.6	0	0	0	0	114.2	L2397	L2397-V2399 HydrophobicContact CB-CG2 3.95Å; L2397-V2399 HydrophobicContact CD1-CG2 4.05Å; L2397-V2399 HydrophobicContact CD2-CG2 4.13Å; L2397-V2399 HydrophobicContact CG-CG2 4.26Å; L2397-V2399 PolarHBondContact O-N 3.07Å
2400	G	32.6	Very low	33.1	Very low	62.4 Å²	62.4	134.7 Å²	134.7	64%	0.643	76%	0.764	S	S	*	*				-149.9	108.9	128	0	0	0	0	0	112.5	N2285 V2402	N2285-G2400 VanDerWaalsContact O-CA 3.3Å; N2285-G2400 WeakPolarHBondContact O-CA 3.39Å; G2400-V2402 PolarHBondContact O-N 2.93Å
2401	Q	30.3	Very low	33.1	Very low	182.2 Å²	182.2	132.7 Å²	132.7	85%	0.851	76%	0.762	S	S	*	*			trans	63	146.2	164.8	-69.4	-168.7	-16	0	0	113.7
2402	V	32.9	Very low	33.3	Very low	118.8 Å²	118.8	134.9 Å²	134.9	72%	0.72	77%	0.771	S	S	*	*				-178.2	153.2	51.7	-166.4	0	0	0	0	114.5	G2400	G2400-V2402 PolarHBondContact O-N 2.93Å
2403	N	32.6	Very low	33.3	Very low	146.8 Å²	146.8	132.3 Å²	132.3	79%	0.785	76%	0.764	S	S	*	*			trans	59.8	148.8	171.6	-71.2	-20.6	0	0	0	119.2
2404	S	31.8	Very low	33.2	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	76%	0.764	S	S	*	*				144.7	136.9	104.5	-107.8	0	0	0	0	114
2405	T	33.5	Very low	33.1	Very low	126 Å²	126	135.2 Å²	135.2	77%	0.773	76%	0.764	S	S	*	*				55.9	136.9	114.2	16.8	0	0	0	0	117.9
2406	R	29.4	Very low	32.9	Very low	226.6 Å²	226.6	133.4 Å²	133.4	86%	0.855	76%	0.755	S	S	*	*			trans	108.7	144.4	142.3	-152.3	-174	-170.1	-140.1	5	115
2407	V	35.9	Very low	32.7	Very low	127.6 Å²	127.6	131 Å²	131	77%	0.773	75%	0.75	S	S	*	*			trans	169	143.2	133.8	-175.9	0	0	0	0	113.8
2408	T	33.6	Very low	32.9	Very low	107.2 Å²	107.2	129 Å²	129	66%	0.658	75%	0.746	S	S	*	*			trans	171	135.3	-177	-17.2	0	0	0	0	116.8
2409	R	33.5	Very low	32.7	Very low	216.4 Å²	216.4	131.8 Å²	131.8	82%	0.817	75%	0.749	S	S	*	*			trans	154.9	142	137.1	-98	169.3	-179.4	-102.8	1.8	114.3
2410	Q	34	Very low	32.6	Very low	157 Å²	157	131.3 Å²	131.3	73%	0.734	75%	0.746	S	S	*	*				116.4	149.8	98.3	-80.1	168	-27.1	0	0	113.5
2411	S	35.5	Very low	32.6	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	75%	0.749	S	S	*	*			cis	-160.6	155.7	34.9	47.5	0	0	0	0	113.1
2412	C	33.3	Very low	32.6	Very low	131 Å²	131	131.4 Å²	131.4	89%	0.885	75%	0.745	S	S	*	*			trans	-119.8	165.9	132.3	-72.6	0	0	0	0	113.6
2413	G	34.1	Very low	32.5	Very low	64.6 Å²	64.6	134.4 Å²	134.4	67%	0.666	75%	0.748	S	S	*	*			cis	-159.3	-166.5	4.3	0	0	0	0	0	111.3
2414	T	33.5	Very low	32.2	Very low	127.2 Å²	127.2	137.8 Å²	137.8	78%	0.78	75%	0.75	S	S	*	*			cis	154.6	148.7	23.6	-26.3	0	0	0	0	113.2
2415	L	30.9	Very low	32	Very low	144.4 Å²	144.4	136.8 Å²	136.8	76%	0.756	74%	0.743	S	S	*	*			trans	57.1	152.6	161.6	-93	105	0	0	0	116.2
2416	D	31.5	Very low	31.8	Very low	120 Å²	120	137.8 Å²	137.8	64%	0.642	74%	0.739	S	S	*	*				143.4	163.7	113.3	-90.3	-46.8	0	0	0	117.2
2417	S	27.9	Very low	31.9	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	73%	0.733	S	S	*	*			trans	-137.8	176.4	-168.9	-129.2	0	0	0	0	110.8
2418	P	38.2	Very low	31.6	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	73%	0.728	S	S	*	*			cis	-124.5	-175.7	-47	37.2	-20.4	0	0	0	114.2
2419	Q	30	Very low	31.5	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.804	73%	0.731	S	S	*	*			trans	139.9	135.3	142	-89	-174.9	3.4	0	0	117.1
2420	T	30	Very low	31.5	Very low	116.2 Å²	116.2	130.3 Å²	130.3	71%	0.713	72%	0.724	S	S	*	*			trans	52.5	132.3	133.6	51.8	0	0	0	0	119.8
2421	S	31.3	Very low	31.3	Very low	100.6 Å²	100.6	129.3 Å²	129.3	70%	0.703	72%	0.724	S	S	*	*				152.8	144.7	96.6	64.4	0	0	0	0	116.6
2422	L	31	Very low	31.2	Very low	146 Å²	146	130.9 Å²	130.9	76%	0.764	72%	0.723	S	S	*	*			trans	71.3	122.2	140.5	-76.6	159	0	0	0	119.1
2423	K	30.5	Very low	31.1	Very low	182.8 Å²	182.8	130.7 Å²	130.7	80%	0.795	71%	0.713	S	S	*	*				113.9	137	118.5	-102.5	171.6	178.3	176.2	0	115.4
2424	R	27.4	Very low	31	Very low	217.4 Å²	217.4	133.3 Å²	133.3	82%	0.82	72%	0.716	S	S	*	*				75.2	134.9	96.7	-128.2	-174.5	170.2	168.5	-2.6	116.4	E2426	R2424-E2426 IonicContact CZ-OE1 2.7Å; R2424-E2426 IonicContact NE-OE1 3.96Å; R2424-E2426 PolarHBondContact NE-OE1 3.01Å; R2424-E2426 IonicContact NH2-OE1 3.31Å; R2424-E2426 PolarHBondContact NH2-OE1 3.17Å; R2424-E2426 IonicContact NH2-OE2 3.43Å; R2424-E2426 PolarHBondContact NH2-OE2 3.15Å
2425	S	27.7	Very low	31	Very low	82.6 Å²	82.6	132.1 Å²	132.1	58%	0.578	71%	0.713	S	S	*	*			cis	153.8	159.3	26.7	-136.3	0	0	0	0	112.6
2426	E	28.8	Very low	31	Very low	146.2 Å²	146.2	131.4 Å²	131.4	68%	0.683	72%	0.715	S	S	*	*				116.9	152.8	103.3	-93.3	154	-151	0	0	115.2	R2424	R2424-E2426 IonicContact CZ-OE1 2.7Å; R2424-E2426 IonicContact NE-OE1 3.96Å; R2424-E2426 PolarHBondContact NE-OE1 3.01Å; R2424-E2426 IonicContact NH2-OE1 3.31Å; R2424-E2426 PolarHBondContact NH2-OE1 3.17Å; R2424-E2426 IonicContact NH2-OE2 3.43Å; R2424-E2426 PolarHBondContact NH2-OE2 3.15Å
2427	I	32	Very low	31	Very low	141.8 Å²	141.8	129.8 Å²	129.8	73%	0.727	72%	0.718	S	S	*	*			trans	92.1	120.6	142.4	-79	140.5	0	0	0	115.8
2428	C	28.3	Very low	31.2	Very low	98 Å²	98	133 Å²	133	66%	0.662	73%	0.727	S	S	*	*				84.5	157.5	115.5	-67.3	0	0	0	0	116.5
2429	H	33.3	Very low	31.2	Very low	158.6 Å²	158.6	133.3 Å²	133.3	73%	0.734	73%	0.729	S	S	*	*			trans	123.9	135.3	138.1	-81.8	-5.1	0	0	0	116.3
2430	N	31.6	Very low	31.3	Very low	123.8 Å²	123.8	131.3 Å²	131.3	66%	0.662	73%	0.728	S	S	*	*				106.1	142.6	128.5	-73.7	-3.3	0	0	0	117.6
2431	N	30.4	Very low	31.4	Very low	135.6 Å²	135.6	130.5 Å²	130.5	73%	0.725	73%	0.727	S	S	*	*				92.6	135.4	127.6	-82.5	-0.6	0	0	0	118.7
2432	L	33.7	Very low	31.7	Very low	139.6 Å²	139.6	134.4 Å²	134.4	73%	0.731	74%	0.735	S	S	*	*				87.1	142.6	116	-124.4	64.2	0	0	0	116.3
2433	D	31.6	Very low	31.9	Very low	128.2 Å²	128.2	132 Å²	132	69%	0.686	74%	0.736	S	S	*	*				111.7	138.7	119.2	-93	-27.2	0	0	0	118.7
2434	T	32.4	Very low	32.1	Very low	117.4 Å²	117.4	128.6 Å²	128.6	72%	0.72	74%	0.735	S	S	*	*				89.4	105.6	120	-49	0	0	0	0	116.7
2435	S	32.9	Very low	32.3	Very low	102.6 Å²	102.6	128.4 Å²	128.4	72%	0.717	73%	0.734	S	S	*	*				111.1	127	117.4	-123.7	0	0	0	0	117.3
2436	T	31.6	Very low	32.6	Very low	129.6 Å²	129.6	135 Å²	135	80%	0.795	75%	0.746	S	S	*	*				112.3	135.8	127.1	-11.9	0	0	0	0	115.4
2437	A	31.7	Very low	32.8	Very low	87.4 Å²	87.4	135.6 Å²	135.6	72%	0.722	75%	0.749	S	S	*	*				172.9	152.9	111.2	0	0	0	0	0	116.9
2438	L	31.7	Very low	32.9	Very low	159.8 Å²	159.8	138.6 Å²	138.6	84%	0.837	75%	0.751	S	S	*	*			trans	-45.6	164.3	151.9	-62.2	168.9	0	0	0	115.4	V2440	L2438-V2440 HydrophobicContact CB-CG2 4.36Å
2439	P	36.8	Very low	33.2	Very low	113.2 Å²	113.2	144.3 Å²	144.3	74%	0.735	76%	0.759	S	S	*	*			cis	-126.9	176.6	-6.5	31.2	-11.6	0	0	0	113.9
2440	V	33.6	Very low	33.2	Very low	129.2 Å²	129.2	140.7 Å²	140.7	78%	0.783	75%	0.752	S	S	*	*			trans	86.7	125.5	145.8	-179.8	0	0	0	0	116.3	L2438	L2438-V2440 HydrophobicContact CB-CG2 4.36Å
2441	S	32.2	Very low	33.2	Very low	99.4 Å²	99.4	143 Å²	143	70%	0.695	76%	0.759	S	S	*	*			trans	-172.7	135.6	144.8	-149	0	0	0	0	112.8
2442	Q	35.8	Very low	33.3	Very low	183.2 Å²	183.2	141.6 Å²	141.6	86%	0.856	76%	0.76	S	S	*	*				103.5	135.9	106.4	-71	-177.5	4.8	0	0	116.2
2443	A	36.1	Very low	33.3	Very low	95.4 Å²	95.4	144 Å²	144	79%	0.788	76%	0.764	S	S	*	*				-174.5	138.5	126.9	0	0	0	0	0	115.9
2444	S	33.9	Very low	33.3	Very low	111.2 Å²	111.2	143.3 Å²	143.3	78%	0.778	77%	0.765	S	S	*	*			trans	87.7	133.6	132.6	-152.3	0	0	0	0	117
2445	R	32.8	Very low	33.3	Very low	213.4 Å²	213.4	144.9 Å²	144.9	81%	0.805	77%	0.767	S	S	*	*				127	125.2	105.9	-151.2	175	-167.9	-143.7	5	115.7
2446	R	33.2	Very low	33.4	Very low	220.6 Å²	220.6	144.6 Å²	144.6	83%	0.832	77%	0.765	S	S	*	*			trans	51.4	148.2	163.9	-69	174.8	149.9	-162.5	-1.8	117
2447	Q	32.9	Very low	33.4	Very low	159.6 Å²	159.6	145.3 Å²	145.3	75%	0.746	76%	0.764	S	S	*	*				-164	140.2	94.4	-173.4	166.2	-46.7	0	0	113.3
2448	R	33.8	Very low	33.4	Very low	204.2 Å²	204.2	147 Å²	147	77%	0.771	77%	0.766	S	S	*	*			trans	26.6	128.1	158.6	-65.6	176.5	166.4	169.8	-4.5	120
2449	R	35.5	Very low	33.6	Very low	217.6 Å²	217.6	145.4 Å²	145.4	82%	0.821	76%	0.762	S	S	*	*				115.2	153.6	106.1	-110	180	175.9	173.9	-4.1	119.5
2450	S	33	Very low	33.6	Very low	84.4 Å²	84.4	145.3 Å²	145.3	59%	0.59	76%	0.762	S	S	*	*			trans	55.2	124	156	50.9	0	0	0	0	121.5
2451	E	31.1	Very low	33.6	Very low	170.8 Å²	170.8	144.9 Å²	144.9	80%	0.798	76%	0.759	S	S	*	*			trans	75.9	146.2	131.5	-65.9	165.2	-124.6	0	0	121.3
2452	S	32.8	Very low	33.7	Very low	106.6 Å²	106.6	147.5 Å²	147.5	75%	0.745	76%	0.764	S	S	*	*			trans	153	132.1	166.6	-68.8	0	0	0	0	115.1
2453	K	33.7	Very low	33.5	Very low	191 Å²	191	146.2 Å²	146.2	83%	0.83	76%	0.756	S	S	*	*				87.9	147.7	95.1	-118.1	-173.5	178.8	178.7	0	117.1
2454	T	32.6	Very low	33.5	Very low	113.4 Å²	113.4	147 Å²	147	70%	0.696	75%	0.747	S	S	*	*			trans	89.2	147	137.1	13.3	0	0	0	0	118.4
2455	I	32.6	Very low	33.5	Very low	150.6 Å²	150.6	148.2 Å²	148.2	77%	0.772	75%	0.745	S	S	*	*			trans	81.7	135.2	131.5	-50.5	167	0	0	0	116
2456	S	33.4	Very low	33.5	Very low	95.6 Å²	95.6	143.9 Å²	143.9	67%	0.669	74%	0.742	S	S	*	*			cis	-151.4	157	31.4	-77.7	0	0	0	0	112.9
2457	N	31.3	Very low	33.5	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	74%	0.735	S	S	*	*			trans	76	162.5	149.6	-58.8	-12.9	0	0	0	115.9
2458	T	33.4	Very low	33.5	Very low	123.6 Å²	123.6	139.7 Å²	139.7	76%	0.758	74%	0.737	S	S	*	*			cis	-160.6	148.6	8.9	-29.1	0	0	0	0	110.1
2459	V	34.4	Very low	33.3	Very low	125.8 Å²	125.8	134 Å²	134	76%	0.762	73%	0.728	S	S	*	*			trans	-144.6	154.6	148.4	-169.3	0	0	0	0	113.4	V2461	V2459-V2461 HydrophobicContact CG1-CG2 3.99Å
2460	P	38.1	Very low	33.1	Very low	112.4 Å²	112.4	132.8 Å²	132.8	73%	0.73	73%	0.73	S	S	*	*			trans	-132	176.8	144	37.2	-18.7	0	0	0	116.5
2461	V	32.4	Very low	33	Very low	120 Å²	120	133.2 Å²	133.2	73%	0.727	74%	0.738	S	S	*	*			trans	125.8	140.7	142.1	166.4	0	0	0	0	117.8	V2459	V2459-V2461 HydrophobicContact CG1-CG2 3.99Å
2462	L	34	Very low	33	Very low	153.2 Å²	153.2	131.4 Å²	131.4	80%	0.802	74%	0.739	S	S	*	*			trans	111.2	130.1	157.7	-109.6	67	0	0	0	114.4
2463	K	33.1	Very low	33.2	Very low	156 Å²	156	131.8 Å²	131.8	68%	0.678	74%	0.739	S	S	*	*				86.6	140	54.3	-93.2	-177	163	-138.3	0	115.8
2464	D	34.7	Very low	33.1	Very low	113.6 Å²	113.6	126.8 Å²	126.8	61%	0.607	73%	0.733	S	S	*	*				172.1	149.3	61.5	-75	-35.6	0	0	0	118.2
2465	N	34.8	Very low	32.9	Very low	136.2 Å²	136.2	126.5 Å²	126.5	73%	0.728	73%	0.731	S	S	*	*			trans	59.1	129.6	141.7	-65.6	-8.4	0	0	0	122.7
2466	T	33.5	Very low	32.8	Very low	122.4 Å²	122.4	126.1 Å²	126.1	75%	0.751	73%	0.729	S	S	*	*				145.9	134.7	72.5	30.6	0	0	0	0	115.9
2467	V	32.7	Very low	32.6	Very low	112 Å²	112	127.1 Å²	127.1	68%	0.679	73%	0.731	S	S	*	*				110.4	140.9	85	157.7	0	0	0	0	118.1
2468	F	32.1	Very low	32.6	Very low	180.8 Å²	180.8	124.7 Å²	124.7	79%	0.793	73%	0.726	S	S	*	*			trans	86.3	139.2	152.4	-79.3	-73.4	0	0	0	119.4	F2470	F2468-F2470 HydrophobicContact CD1-CD2 4.2Å; F2468-F2470 AromaticContact CD1-CE2 3.82Å; F2468-F2470 HydrophobicContact CD1-CE2 3.94Å; F2468-F2470 HydrophobicContact CD1-CZ 4.3Å; F2468-F2470 HydrophobicContact CE1-CE2 4.2Å; F2468-F2470 HydrophobicContact CE1-CZ 4.32Å
2469	S	30	Very low	32.3	Very low	83.2 Å²	83.2	122.9 Å²	122.9	58%	0.582	72%	0.718	S	S	*	*			cis	159.2	158.6	-4.2	-68.1	0	0	0	0	116.7
2470	F	30.7	Very low	32.1	Very low	194.2 Å²	194.2	122.3 Å²	122.3	85%	0.852	72%	0.715	S	S	*	*			trans	90.9	154.1	153.2	-62.6	-72	0	0	0	118.2	F2468	F2468-F2470 HydrophobicContact CD1-CD2 4.2Å; F2468-F2470 AromaticContact CD1-CE2 3.82Å; F2468-F2470 HydrophobicContact CD1-CE2 3.94Å; F2468-F2470 HydrophobicContact CD1-CZ 4.3Å; F2468-F2470 HydrophobicContact CE1-CE2 4.2Å; F2468-F2470 HydrophobicContact CE1-CZ 4.32Å
2471	A	31.2	Very low	31.7	Very low	92.2 Å²	92.2	122.6 Å²	122.6	76%	0.762	71%	0.714	S	S	*	*			cis	165.4	144.4	24.3	0	0	0	0	0	114.9
2472	T	31.9	Very low	31.8	Very low	133.2 Å²	133.2	123.3 Å²	123.3	82%	0.817	72%	0.719	S	S	*	*			trans	-88.2	170.8	161.4	55.8	0	0	0	0	112.5
2473	P	37	Very low	31.6	Very low	114.4 Å²	114.4	122.3 Å²	122.3	74%	0.743	71%	0.714	S	S	*	*			cis	-137.4	177.4	-17.5	37.7	-18.8	0	0	0	115	V2475	P2473-V2475 HydrophobicContact CB-CG2 4.26Å; P2473-V2475 HydrophobicContact CG-CG2 4.29Å
2474	A	31.2	Very low	31.8	Very low	85.2 Å²	85.2	120 Å²	120	70%	0.704	72%	0.716	S	S	*	*			trans	152.5	126	130.1	0	0	0	0	0	114.4
2475	V	29.2	Very low	31.9	Very low	108.2 Å²	108.2	120.2 Å²	120.2	66%	0.656	72%	0.721	S	S	*	*				70.6	127	77.1	-178.9	0	0	0	0	115.2	P2473	P2473-V2475 HydrophobicContact CB-CG2 4.26Å; P2473-V2475 HydrophobicContact CG-CG2 4.29Å
2476	L	29.5	Very low	31.7	Very low	142.2 Å²	142.2	120.8 Å²	120.8	75%	0.745	72%	0.723	S	S	*	*			trans	89.3	135.8	145.5	-72.3	164.5	0	0	0	117.9	S2478	L2476-S2478 WeakPolarHBondContact CD2-OG 3.42Å
2477	T	29.6	Very low	31.7	Very low	115.4 Å²	115.4	122.2 Å²	122.2	71%	0.708	72%	0.724	S	S	*	*			trans	-3.5	126.6	145.3	54.1	0	0	0	0	117.2	S2479	T2477-S2479 PolarHBondContact O-N 2.94Å
2478	S	30.4	Very low	31.7	Very low	95.4 Å²	95.4	122.1 Å²	122.1	67%	0.667	73%	0.726	S	S	*	*			trans	119.7	112	146.8	-63.8	0	0	0	0	115.1	L2476	L2476-S2478 WeakPolarHBondContact CD2-OG 3.42Å
2479	S	28.9	Very low	31.7	Very low	84.6 Å²	84.6	119.8 Å²	119.8	59%	0.592	73%	0.727	S	S	*	*				122.6	130	126.7	58.5	0	0	0	0	116.2	T2477	T2477-S2479 PolarHBondContact O-N 2.94Å
2480	T	30.3	Very low	31.6	Very low	113.2 Å²	113.2	121 Å²	121	69%	0.694	74%	0.735	S	S	*	*			trans	106.2	112.5	135.4	26.2	0	0	0	0	117.4
2481	V	29.4	Very low	31.4	Very low	118.2 Å²	118.2	117.7 Å²	117.7	72%	0.716	74%	0.735	S	S	*	*				55.6	127.1	120.7	-157.5	0	0	0	0	119.6	N2483	V2481-N2483 HydrophobicContact CG1-CB 4.22Å
2482	V	33.7	Very low	31.4	Very low	134.8 Å²	134.8	117.6 Å²	117.6	82%	0.817	73%	0.734	S	S	*	*				170.2	132.7	119.5	-130.5	0	0	0	0	113
2483	N	30.1	Very low	31.5	Very low	132.6 Å²	132.6	116.8 Å²	116.8	71%	0.709	73%	0.731	S	S	*	*				169.1	148.5	59.5	-150	32.1	0	0	0	112.8	V2481 T2485	V2481-N2483 HydrophobicContact CG1-CB 4.22Å; N2483-T2485 VanDerWaalsContact CG-N 3.25Å; N2483-T2485 PolarHBondContact ND2-N 3.06Å; N2483-T2485 PolarHBondContact ND2-OG1 3.2Å; N2483-T2485 PolarHBondContact OD1-N 3.26Å
2484	P	38	Very low	31.2	Very low	108.8 Å²	108.8	116.4 Å²	116.4	71%	0.706	73%	0.731	S	S	*	*			trans	-104.2	157.4	145.5	38.1	-31.3	0	0	0	112.8
2485	T	35.2	Very low	31.1	Very low	118 Å²	118	118.3 Å²	118.3	72%	0.724	73%	0.734	S	S	*	*			trans	-158.4	141.1	145.2	-11.9	0	0	0	0	111.1	N2483	N2483-T2485 VanDerWaalsContact CG-N 3.25Å; N2483-T2485 PolarHBondContact ND2-N 3.06Å; N2483-T2485 PolarHBondContact ND2-OG1 3.2Å; N2483-T2485 PolarHBondContact OD1-N 3.26Å
2486	L	31.8	Very low	31.2	Very low	147.4 Å²	147.4	120.9 Å²	120.9	77%	0.772	74%	0.743	S	S	*	*			cis	-125.9	158.4	38	-77.4	151.9	0	0	0	112.5
2487	I	33.7	Very low	31.1	Very low	151.2 Å²	151.2	118.8 Å²	118.8	78%	0.775	74%	0.741	S	S	*	*				173.4	140	114.7	-83.3	167.3	0	0	0	113	V2489	I2487-V2489 HydrophobicContact CG2-CG2 4.33Å
2488	P	32.5	Very low	31.2	Very low	110.8 Å²	110.8	119.2 Å²	119.2	72%	0.719	74%	0.743	S	S	*	*			trans	-107.3	167.9	-173.8	30	-17.3	0	0	0	114.2
2489	V	31.6	Very low	31.2	Very low	132.8 Å²	132.8	123.2 Å²	123.2	81%	0.805	75%	0.748	S	S	*	*			trans	-176.9	126.4	135.9	-175.8	0	0	0	0	112.5	I2487	I2487-V2489 HydrophobicContact CG2-CG2 4.33Å
2490	S	27.5	Very low	31.4	Very low	108 Å²	108	123.9 Å²	123.9	76%	0.755	75%	0.753	S	S	*	*			trans	109.9	157.1	144	-126.3	0	0	0	0	116.3
2491	C	27.4	Very low	31.6	Very low	125.8 Å²	125.8	124 Å²	124	85%	0.85	75%	0.754	S	S	*	*			trans	83.5	131.5	168.7	-70.1	0	0	0	0	117.3
2492	A	30.4	Very low	31.7	Very low	88.4 Å²	88.4	126.1 Å²	126.1	73%	0.731	76%	0.756	S	S	*	*			trans	-75.8	166.4	170.3	0	0	0	0	0	112.8
2493	P	35	Very low	31.6	Very low	118 Å²	118	123.7 Å²	123.7	77%	0.766	75%	0.751	S	S	*	*				-120.8	164.9	68	36.1	-21.8	0	0	0	114.4
2494	S	29.6	Very low	31.9	Very low	105.2 Å²	105.2	123.6 Å²	123.6	74%	0.736	75%	0.748	S	S	*	*			trans	96.2	129.6	156	-52.3	0	0	0	0	117.1
2495	T	28.6	Very low	31.7	Very low	125.6 Å²	125.6	125.1 Å²	125.1	77%	0.771	75%	0.749	S	S	*	*			trans	26.3	141.8	146.1	63.1	0	0	0	0	116.7
2496	L	31.3	Very low	31.7	Very low	162.6 Å²	162.6	124.4 Å²	124.4	85%	0.851	75%	0.747	S	S	*	*			trans	-160.7	141.8	148.6	-114.1	62.7	0	0	0	112.3
2497	S	28.7	Very low	31.7	Very low	98.8 Å²	98.8	121.6 Å²	121.6	69%	0.691	74%	0.739	S	S	*	*				-144.5	124.3	83.5	-160.6	0	0	0	0	113.8
2498	T	32	Very low	31.6	Very low	123.8 Å²	123.8	122.3 Å²	122.3	76%	0.76	74%	0.739	S	S	*	*			trans	151.1	134.3	148	45.9	0	0	0	0	114.3
2499	K	30.5	Very low	31.6	Very low	178.4 Å²	178.4	121.5 Å²	121.5	78%	0.776	74%	0.736	S	S	*	*				103.5	136	58.2	-138.9	179.3	-174.2	-179.8	0	113.1	E2502	K2499-E2502 WeakPolarHBondContact CE-OE2 3.33Å; K2499-E2502 IonicContact NZ-OE1 3.66Å; K2499-E2502 PolarHBondContact NZ-OE1 3.36Å; K2499-E2502 IonicContact NZ-OE2 2.64Å; K2499-E2502 PolarHBondContact NZ-OE2 2.87Å
2500	S	32.4	Very low	31.6	Very low	98.8 Å²	98.8	120.3 Å²	120.3	69%	0.691	73%	0.728	S	S	*	*				175	146	111.1	-155.2	0	0	0	0	110.8
2501	T	34.8	Very low	31.9	Very low	115.4 Å²	115.4	122 Å²	122	71%	0.708	73%	0.728	S	S	*	*				95.7	133	102.8	-49.4	0	0	0	0	115.6
2502	E	31.1	Very low	32	Very low	162 Å²	162	121.1 Å²	121.1	76%	0.757	72%	0.718	S	S	*	*			trans	101.7	134.8	135.3	-144.8	176.3	160.3	0	0	114	K2499	K2499-E2502 WeakPolarHBondContact CE-OE2 3.33Å; K2499-E2502 IonicContact NZ-OE1 3.66Å; K2499-E2502 PolarHBondContact NZ-OE1 3.36Å; K2499-E2502 IonicContact NZ-OE2 2.64Å; K2499-E2502 PolarHBondContact NZ-OE2 2.87Å
2503	A	32.1	Very low	32	Very low	85.8 Å²	85.8	122.7 Å²	122.7	71%	0.709	72%	0.72	S	S	*	*				156	145.9	112.4	0	0	0	0	0	113.7
2504	I	35.1	Very low	31.8	Very low	129 Å²	129	121.9 Å²	121.9	66%	0.662	72%	0.717	S	S	*	*			trans	164	108.8	145.6	-84.6	173.2	0	0	0	111	K1764 Y1765 L1766	K1764-I2504 HydrophobicContact CB-CD1 4.27Å; K1764-I2504 HydrophobicContact CG-CD1 4.33Å; K1764-I2504 HydrophobicContact CG-CG2 4.21Å; Y1765-I2504 CarbonylContact C-O 3.59Å; Y1765-I2504 WeakPolarHBondContact CA-O 3.5Å; Y1765-I2504 PolarHBondContact N-O 3.25Å; L1766-I2504 VanDerWaalsContact CA-CG2 3.5Å; L1766-I2504 PolarHBondContact N-O 2.98Å; L1766-I2504 WeakPolarHBondContact O-CA 3.18Å; L1766-I2504 WeakPolarHBondContact O-CG2 3.48Å
2505	I	33.5	Very low	31.7	Very low	142.2 Å²	142.2	122.4 Å²	122.4	73%	0.729	72%	0.719	S	S	*	*				73	155.1	123.8	-65.2	166.4	0	0	0	114.8	Y1765	Y1765-I2505 CarbonylContact O-C 3.6Å
2506	P	37	Very low	31.8	Very low	102.8 Å²	102.8	121.6 Å²	121.6	67%	0.668	72%	0.718	S	S	*	*				-128	-167.1	-129.9	41.7	-25	0	0	0	113.3	Y1765 L1766	Y1765-P2506 WeakPolarHBondContact O-CD 3.35Å; L1766-P2506 HydrophobicContact CB-CB 3.86Å
2507	S	31.6	Very low	31.7	Very low	87.4 Å²	87.4	122.3 Å²	122.3	61%	0.611	72%	0.717	S	S	*	*			trans	160.3	134.2	140.9	-19.8	0	0	0	0	114.1	S1767 N1768	S1767-S2507 WeakPolarHBondContact O-CA 3.38Å; S1767-S2507 VanDerWaalsContact O-CB 3.29Å; S1767-S2507 WeakPolarHBondContact O-CB 3.41Å; N1768-S2507 CarbonylContact O-C 3.5Å; N1768-S2507 VanDerWaalsContact O-C 3.22Å; N1768-S2507 WeakPolarHBondContact O-CA 3.43Å; N1768-S2507 PolarHBondContact O-N 3.06Å
2508	H	31.7	Very low	31.8	Very low	166.8 Å²	166.8	123.6 Å²	123.6	77%	0.772	72%	0.721	S	S	*	*			trans	42.6	150.6	148	-74	-68	0	0	0	118.7	N1768	N1768-H2508 PolarHBondContact ND2-CE1 2.84Å; N1768-H2508 PolarHBondContact ND2-NE2 2.83Å; N1768-H2508 PolarHBondContact O-N 2.82Å
2509	S	30.9	Very low	31.7	Very low	93 Å²	93	121.3 Å²	121.3	65%	0.65	71%	0.714	S	S	*	*			cis	-161.8	164.8	-16.4	50.7	0	0	0	0	111.5
2510	V	32.3	Very low	31.8	Very low	108.2 Å²	108.2	120.7 Å²	120.7	66%	0.656	71%	0.714	S	S	*	*				72.2	120.3	129.9	162	0	0	0	0	117.8	C1770 T2512	C1770-V2510 HydrophobicContact CB-CG2 4.22Å; C1770-V2510 VanDerWaalsContact CB-N 3.26Å; C1770-V2510 VanDerWaalsContact SG-CA 3.59Å; C1770-V2510 PolarHBondContact SG-N 2.94Å; V2510-T2512 HydrophobicContact CG1-CG2 3.73Å; V2510-T2512 VanDerWaalsContact CG1-N 3.35Å
2511	I	33.1	Very low	31.9	Very low	143.8 Å²	143.8	121.2 Å²	121.2	74%	0.737	72%	0.717	S	S	*	*				175.7	120.3	128.7	-84.1	170.3	0	0	0	113.2	T2513	I2511-T2513 HydrophobicContact CG2-CG2 4.16Å
2512	T	29.5	Very low	31.7	Very low	106.8 Å²	106.8	119 Å²	119	66%	0.655	72%	0.717	S	S	*	*				-150.9	159.6	120.4	31.3	0	0	0	0	114.6	V2510	V2510-T2512 HydrophobicContact CG1-CG2 3.73Å; V2510-T2512 VanDerWaalsContact CG1-N 3.35Å
2513	T	32	Very low	31.7	Very low	123.2 Å²	123.2	115.9 Å²	115.9	76%	0.756	72%	0.719	S	S	*	*			trans	167.1	130.3	133.9	24.8	0	0	0	0	113.6	I2511	I2511-T2513 HydrophobicContact CG2-CG2 4.16Å
2514	S	29.3	Very low	31.7	Very low	101.2 Å²	101.2	115.9 Å²	115.9	71%	0.708	72%	0.719	S	S	*	*				98.1	146.3	112.8	68.6	0	0	0	0	115.9
2515	C	27.6	Very low	31.5	Very low	115 Å²	115	115 Å²	115	78%	0.777	73%	0.725	S	S	*	*			trans	120.7	127.9	146.6	-95.1	0	0	0	0	115.9
2516	S	30.5	Very low	31.5	Very low	108.2 Å²	108.2	113.4 Å²	113.4	76%	0.757	73%	0.726	S	S	*	*				112.1	163	121.5	51.4	0	0	0	0	116.8
2517	Q	29.5	Very low	31.2	Very low	176.8 Å²	176.8	114.3 Å²	114.3	83%	0.826	74%	0.735	S	S	*	*			trans	169	155	176.9	-97.5	179.3	-30.4	0	0	114.7
2518	V	31.2	Very low	31.3	Very low	127.2 Å²	127.2	114.1 Å²	114.1	77%	0.771	74%	0.739	S	S	*	*			trans	105.2	140	142.7	167.1	0	0	0	0	114.7
2519	A	30.8	Very low	31.2	Very low	75.4 Å²	75.4	113.7 Å²	113.7	62%	0.623	74%	0.742	S	S	*	*			trans	143.3	148.2	179.4	0	0	0	0	0	113.7
2520	H	32.9	Very low	31.1	Very low	166.2 Å²	166.2	114.2 Å²	114.2	77%	0.769	74%	0.744	S	S	*	*				70.6	112.5	115.4	-55.8	-58.1	0	0	0	118.6
2521	S	32.7	Very low	31	Very low	108.8 Å²	108.8	114.8 Å²	114.8	76%	0.761	75%	0.748	S	S	*	*				87.8	134.8	92.4	19.3	0	0	0	0	118.5	I2296 L2297 P2298	I2296-S2521 CarbonylContact C-O 3.59Å; I2296-S2521 CarbonylContact O-C 3.41Å; L2297-S2521 CarbonylContact C-O 3.33Å; L2297-S2521 VanDerWaalsContact C-O 3.27Å; L2297-S2521 WeakPolarHBondContact CA-O 3.4Å; L2297-S2521 PolarHBondContact N-O 3.34Å; P2298-S2521 VanDerWaalsContact CA-C 3.46Å; P2298-S2521 WeakPolarHBondContact CA-O 3.41Å
2522	G	31.3	Very low	31	Very low	68.6 Å²	68.6	115.6 Å²	115.6	71%	0.707	75%	0.749	S	S	*	*				133	129.1	129.5	0	0	0	0	0	118.8	I2296 L2297	I2296-G2522 CarbonylContact C-O 3.51Å; I2296-G2522 CarbonylContact O-C 3.33Å; I2296-G2522 VanDerWaalsContact O-C 3.29Å; I2296-G2522 WeakPolarHBondContact O-CA 3.37Å; L2297-G2522 WeakPolarHBondContact CA-O 3.36Å
2523	A	31.8	Very low	31	Very low	97.2 Å²	97.2	118.8 Å²	118.8	80%	0.803	75%	0.754	S	S	*	*			trans	39.9	160.8	169	0	0	0	0	0	116.1	L2297	L2297-A2523 VanDerWaalsContact CB-O 3.3Å; L2297-A2523 WeakPolarHBondContact CB-O 3.23Å; L2297-A2523 WeakPolarHBondContact CD1-O 3.48Å; L2297-A2523 WeakPolarHBondContact CG-O 3.34Å
2524	A	31.8	Very low	30.8	Very low	85.4 Å²	85.4	120.7 Å²	120.7	71%	0.706	76%	0.756	S	S	*	*			cis	-172.2	154.6	18.8	0	0	0	0	0	114.6
2525	S	31.5	Very low	31	Very low	111.8 Å²	111.8	125 Å²	125	78%	0.782	76%	0.762	S	S	*	*			trans	79.1	127.8	134	-43.4	0	0	0	0	119.8
2526	S	32.4	Very low	31	Very low	108.4 Å²	108.4	124.7 Å²	124.7	76%	0.758	76%	0.761	S	S	*	*				115.6	124.9	103.7	64.9	0	0	0	0	116
2527	S	30.7	Very low	31	Very low	121.2 Å²	121.2	125.4 Å²	125.4	85%	0.848	76%	0.764	S	S	*	*				116.3	118.1	68.8	164	0	0	0	0	112.4
2528	A	33.6	Very low	31.1	Very low	83.6 Å²	83.6	123.6 Å²	123.6	69%	0.691	76%	0.761	S	S	*	*				-168.5	148.6	58.7	0	0	0	0	0	110.6	C2530	A2528-C2530 PolarHBondContact O-N 2.79Å
2529	D	30.3	Very low	31.1	Very low	157 Å²	157	124.2 Å²	124.2	84%	0.84	76%	0.758	S	S	*	*			trans	-112	145.2	130	-98.3	-45.6	0	0	0	115.2
2530	C	28.5	Very low	31.1	Very low	103.6 Å²	103.6	128.8 Å²	128.8	70%	0.7	77%	0.766	S	S	*	*			trans	121.2	110.3	140	-145.7	0	0	0	0	117.7	A2528 Q2532	A2528-C2530 PolarHBondContact O-N 2.79Å; C2530-Q2532 VanDerWaalsContact C-N 3.35Å; C2530-Q2532 PolarHBondContact O-N 2.9Å
2531	V	30.3	Very low	31.1	Very low	120.6 Å²	120.6	126.6 Å²	126.6	73%	0.731	77%	0.765	S	S	*	*				54	122	128.8	161.7	0	0	0	0	117
2532	Q	32.1	Very low	31.2	Very low	160.8 Å²	160.8	126.9 Å²	126.9	75%	0.751	77%	0.767	S	S	*	*			trans	-64.2	136.8	157	-81.2	170.1	30.5	0	0	115.5	C2530	C2530-Q2532 VanDerWaalsContact C-N 3.35Å; C2530-Q2532 PolarHBondContact O-N 2.9Å
2533	K	30	Very low	31.6	Very low	175.2 Å²	175.2	130.5 Å²	130.5	76%	0.762	77%	0.768	S	S	*	*			trans	-142.8	126.6	133	-155.3	171.8	-178.7	169.8	0	110.1	K2535	K2533-K2535 PolarHBondContact O-N 2.89Å
2534	M	28.6	Very low	32.2	Very low	163.4 Å²	163.4	131.1 Å²	131.1	81%	0.805	76%	0.758	S	S	*	*			trans	34.5	131.6	145.4	-66.7	-175.4	176.7	0	0	114.9
2535	K	32.1	Very low	33.1	Very low	190.8 Å²	190.8	132.2 Å²	132.2	83%	0.83	76%	0.758	S	S	*	*				-152.4	141.1	69.4	-143.4	173.7	-178.2	-178.3	0	111.7	K2533 C2537	K2533-K2535 PolarHBondContact O-N 2.89Å; K2535-C2537 PolarHBondContact O-N 3.42Å
2536	S	28.7	Very low	33.7	Very low	108.4 Å²	108.4	136.8 Å²	136.8	76%	0.758	76%	0.76	S	S	*	*			trans	-27.3	130.7	170.2	-49.1	0	0	0	0	113.4
2537	C	30.5	Very low	34.5	Very low	122.6 Å²	122.6	138.9 Å²	138.9	83%	0.828	76%	0.757	S	S	*	*				-149.6	127.1	122.8	-85.3	0	0	0	0	109.9	K2535 I2539	K2535-C2537 PolarHBondContact O-N 3.42Å; C2537-I2539 PolarHBondContact O-N 2.9Å; C2537-I2539 VanDerWaalsContact O-N 3.1Å
2538	N	30.9	Very low	35.5	Very low	140.2 Å²	140.2	137.6 Å²	137.6	75%	0.75	75%	0.746	S	S	*	*			trans	-107.6	143.5	150.2	-112.1	5.2	0	0	0	110.8
2539	I	31.4	Very low	35.8	Very low	138.2 Å²	138.2	139.3 Å²	139.3	71%	0.709	74%	0.744	S	S	*	*			trans	81.2	120.8	140.6	-64.1	170.7	0	0	0	111.4	C2537 T2541	C2537-I2539 PolarHBondContact O-N 2.9Å; C2537-I2539 VanDerWaalsContact O-N 3.1Å; I2539-T2541 VanDerWaalsContact C-N 3.31Å; I2539-T2541 HydrophobicContact CG2-CG2 4.37Å; I2539-T2541 PolarHBondContact O-N 3.05Å
2540	H	31.5	Very low	36.4	Very low	171.8 Å²	171.8	139.9 Å²	139.9	80%	0.795	74%	0.739	S	S	*	*				-120.9	135.7	109.1	-123.4	-88.2	0	0	0	111.5
2541	T	32.7	Very low	37.2	Very low	122 Å²	122	141 Å²	141	75%	0.748	74%	0.738	S	S	*	*			trans	-93.9	140.1	161.5	45.9	0	0	0	0	112.6	I2539 I2543	I2539-T2541 VanDerWaalsContact C-N 3.31Å; I2539-T2541 HydrophobicContact CG2-CG2 4.37Å; I2539-T2541 PolarHBondContact O-N 3.05Å; T2541-I2543 PolarHBondContact O-N 2.82Å
2542	S	33.9	Very low	38.1	Very low	114.8 Å²	114.8	144.3 Å²	144.3	80%	0.803	75%	0.745	S	S	*	*			trans	-96.5	132.2	168.3	52.2	0	0	0	0	111.7	D2544	S2542-D2544 PolarHBondContact O-N 2.8Å
2543	I	39.8	Very low	39	Very low	144.4 Å²	144.4	145.5 Å²	145.5	74%	0.741	75%	0.751	S	S	*	*			trans	-98.9	140.7	168.8	-93.9	131.1	0	0	0	108.3	S2302 T2541 P2545	S2302-I2543 WeakPolarHBondContact OG-CD1 3.5Å; T2541-I2543 PolarHBondContact O-N 2.82Å; I2543-P2545 WeakPolarHBondContact O-CD 3.1Å
2544	D	45	Very low	39.9	Very low	108.4 Å²	108.4	140.8 Å²	140.8	58%	0.58	74%	0.74	S	S	*	*			trans	-93.3	135	164.9	-163.6	-16.8	0	0	0	110.3	S2542 Y2546 E2547	S2542-D2544 PolarHBondContact O-N 2.8Å; D2544-Y2546 PolarHBondContact O-N 3.07Å; D2544-Y2546 VanDerWaalsContact O-N 3.12Å; D2544-Y2546 WeakPolarHBondContact OD1-CB 3.42Å; D2544-Y2546 WeakPolarHBondContact OD1-CD2 3.16Å; D2544-Y2546 PolarHBondContact OD1-N 3.24Å; D2544-E2547 HydrophobicContact CB-CB 4.4Å; D2544-E2547 PolarHBondContact O-N 2.75Å
2545	P	51.5	Low	41.1	Very low	108.6 Å²	108.6	138 Å²	138	71%	0.705	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	8.2	-177.1	33.3	-33.9	0	0	0	114.5	I2543 E2547	I2543-P2545 WeakPolarHBondContact O-CD 3.1Å; P2545-E2547 PolarHBondContact O-N 3.39Å; P2545-E2547 VanDerWaalsContact O-N 3.17Å
2546	Y	44.1	Very low	41.8	Very low	209.6 Å²	209.6	136.5 Å²	136.5	82%	0.822	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	10.4	-174.4	-75	-72	0	0	0	115.7	D2544 P2548	D2544-Y2546 PolarHBondContact O-N 3.07Å; D2544-Y2546 VanDerWaalsContact O-N 3.12Å; D2544-Y2546 WeakPolarHBondContact OD1-CB 3.42Å; D2544-Y2546 WeakPolarHBondContact OD1-CD2 3.16Å; D2544-Y2546 PolarHBondContact OD1-N 3.24Å; Y2546-P2548 WeakPolarHBondContact O-CD 3.27Å
2547	E	49.3	Very low	42.9	Very low	151.2 Å²	151.2	134.6 Å²	134.6	71%	0.707	74%	0.739	S	S	*	*			trans	-99.6	115.8	176.3	-167	163.7	-139.6	0	0	111.8	D2544 P2545 N2549	D2544-E2547 HydrophobicContact CB-CB 4.4Å; D2544-E2547 PolarHBondContact O-N 2.75Å; P2545-E2547 PolarHBondContact O-N 3.39Å; P2545-E2547 VanDerWaalsContact O-N 3.17Å; E2547-N2549 PolarHBondContact O-N 3.14Å
2548	P	50.4	Low	43.8	Very low	93.6 Å²	93.6	135.6 Å²	135.6	61%	0.608	73%	0.729	S	S	*	*			trans	-79	100	180	13	-7.7	0	0	0	111.4	R2306 Y2546 F2550	R2306-P2548 PolarHBondContact NH2-O 3.05Å; Y2546-P2548 WeakPolarHBondContact O-CD 3.27Å; P2548-F2550 HydrophobicContact CB-CD2 4.32Å; P2548-F2550 HydrophobicContact CB-CE2 3.97Å; P2548-F2550 HydrophobicContact CG-CE2 4.38Å; P2548-F2550 WeakPolarHBondContact O-CD2 3.22Å; P2548-F2550 PolarHBondContact O-N 2.99Å
2549	N	39.8	Very low	44.9	Very low	120.6 Å²	120.6	133.4 Å²	133.4	65%	0.645	72%	0.717	S	S	*	*			trans	-72.1	109.8	174.2	-99.3	-16.6	0	0	0	110.8	H2304 E2547 D2551	H2304-N2549 WeakPolarHBondContact CD2-CB 3.47Å; H2304-N2549 PolarHBondContact CD2-OD1 3.12Å; H2304-N2549 WeakPolarHBondContact NE2-CB 3.03Å; E2547-N2549 PolarHBondContact O-N 3.14Å; N2549-D2551 PolarHBondContact O-N 3.12Å; N2549-D2551 VanDerWaalsContact O-N 3.08Å
2550	F	43.4	Very low	45.8	Very low	170 Å²	170	131.7 Å²	131.7	75%	0.746	72%	0.715	S	S	*	*			trans	-105	49.9	177.7	-85	-90.2	0	0	0	111.6	N2305 R2306 P2548 S2554	N2305-F2550 WeakPolarHBondContact OD1-CA 3.12Å; N2305-F2550 WeakPolarHBondContact OD1-CB 3.16Å; N2305-F2550 PolarHBondContact OD1-N 3.39Å; N2305-F2550 PolarHBondContact OD1-O 3.19Å; R2306-F2550 WeakPolarHBondContact CA-O 3.46Å; R2306-F2550 HydrophobicContact CG-CB 3.4Å; R2306-F2550 HydrophobicContact CG-CD1 4.09Å; R2306-F2550 HydrophobicContact CG-CG 4.01Å; R2306-F2550 VanDerWaalsContact CZ-CD2 3.5Å; R2306-F2550 PolarHBondContact N-O 2.81Å; P2548-F2550 HydrophobicContact CB-CD2 4.32Å; P2548-F2550 HydrophobicContact CB-CE2 3.97Å; P2548-F2550 HydrophobicContact CG-CE2 4.38Å; P2548-F2550 WeakPolarHBondContact O-CD2 3.22Å; P2548-F2550 PolarHBondContact O-N 2.99Å; F2550-S2554 PolarHBondContact O-OG 3.23Å
2551	D	45.2	Very low	46.4	Very low	125.2 Å²	125.2	128.1 Å²	128.1	67%	0.67	71%	0.709	S	S	*	*			trans	-123.9	109.8	170.7	-118.5	-23.3	0	0	0	111	H2304 N2305 R2306 N2549 E2553 S2554	H2304-D2551 HydrophobicContact CB-CB 3.92Å; H2304-D2551 PolarHBondContact CE1-O 3.2Å; H2304-D2551 VanDerWaalsContact ND1-CA 3.31Å; H2304-D2551 WeakPolarHBondContact ND1-CA 2.91Å; H2304-D2551 VanDerWaalsContact ND1-CB 3.27Å; H2304-D2551 WeakPolarHBondContact ND1-CB 3.25Å; H2304-D2551 PolarHBondContact ND1-N 3.43Å; H2304-D2551 PolarHBondContact ND1-O 2.81Å; N2305-D2551 VanDerWaalsContact CA-OD2 3.3Å; N2305-D2551 WeakPolarHBondContact CA-OD2 3.45Å; N2305-D2551 PolarHBondContact N-OD2 3.43Å; R2306-D2551 PolarHBondContact N-OD2 3.02Å; N2549-D2551 PolarHBondContact O-N 3.12Å; N2549-D2551 VanDerWaalsContact O-N 3.08Å; D2551-E2553 PolarHBondContact O-N 2.84Å; D2551-S2554 WeakPolarHBondContact OD1-CB 3.33Å; D2551-S2554 PolarHBondContact OD1-OG 3.19Å
2552	E	48.9	Very low	47.3	Very low	190.2 Å²	190.2	129.9 Å²	129.9	89%	0.889	71%	0.709	S	S	*	*	S	Bend	trans	-170.7	15.4	171.6	-71.2	-95.7	128.5	0	0	114.1
2553	E	50.6	Low	47.7	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.874	70%	0.703	S	S	*	*			trans	-139	66.2	166.9	-156.1	172.1	157	0	0	113	D2551 P2555	D2551-E2553 PolarHBondContact O-N 2.84Å; E2553-P2555 WeakPolarHBondContact O-CD 3.34Å
2554	S	49.7	Very low	47.9	Very low	76.4 Å²	76.4	131.5 Å²	131.5	53%	0.534	70%	0.704	S	S	.	*			trans	-96.5	125.8	168.1	-75.7	0	0	0	0	110.7	R2306 R2307 F2550 D2551 F2558	R2306-S2554 WeakPolarHBondContact CA-OG 3.27Å; R2306-S2554 PolarHBondContact O-OG 3.42Å; R2307-S2554 PolarHBondContact N-OG 2.8Å; F2550-S2554 PolarHBondContact O-OG 3.23Å; D2551-S2554 WeakPolarHBondContact OD1-CB 3.33Å; D2551-S2554 PolarHBondContact OD1-OG 3.19Å; S2554-F2558 WeakPolarHBondContact OG-CD1 3.17Å
2555	P	53.6	Low	47.7	Very low	104.8 Å²	104.8	134.1 Å²	134.1	68%	0.681	71%	0.712	S	S	*	*			trans	-70.6	142	-176.1	19.4	-22.6	0	0	0	112.2	R2307 E2553 G2557 F2558	R2307-P2555 VanDerWaalsContact O-CD 3.23Å; R2307-P2555 WeakPolarHBondContact O-CD 3.17Å; E2553-P2555 WeakPolarHBondContact O-CD 3.34Å; P2555-G2557 PolarHBondContact O-N 3.16Å; P2555-G2557 VanDerWaalsContact O-N 3.07Å; P2555-F2558 HydrophobicContact CG-CB 4.24Å; P2555-F2558 WeakPolarHBondContact O-CB 3.14Å; P2555-F2558 PolarHBondContact O-N 2.84Å
2556	V	47.1	Very low	47.1	Very low	158 Å²	158	137.5 Å²	137.5	96%	0.958	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	113.5	-174.9	-179.1	0	0	0	0	111.7
2557	G	51.1	Low	46.7	Very low	69.8 Å²	69.8	137.3 Å²	137.3	72%	0.72	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.9	21.2	168.9	0	0	0	0	0	116.9	P2555 N2559	P2555-G2557 PolarHBondContact O-N 3.16Å; P2555-G2557 VanDerWaalsContact O-N 3.07Å; G2557-N2559 PolarHBondContact O-N 3.35Å
2558	F	49.6	Very low	46.1	Very low	143.2 Å²	143.2	134.8 Å²	134.8	63%	0.628	72%	0.716	S	S	*	*			trans	-98.5	132.2	161	-146.9	-98.5	0	0	0	110.7	R2307 Y2309 S2554 P2555 L2563	R2307-F2558 HydrophobicContact CB-CD1 3.72Å; R2307-F2558 HydrophobicContact CB-CE1 3.86Å; R2307-F2558 HydrophobicContact CB-CG 4.17Å; R2307-F2558 HydrophobicContact CB-CZ 4.43Å; R2307-F2558 HydrophobicContact CG-CE1 4.46Å; Y2309-F2558 HydrophobicContact CE2-CD2 4.48Å; Y2309-F2558 HydrophobicContact CE2-CE2 4.22Å; Y2309-F2558 WeakPolarHBondContact OH-CE2 3.06Å; Y2309-F2558 WeakPolarHBondContact OH-CZ 2.91Å; S2554-F2558 WeakPolarHBondContact OG-CD1 3.17Å; P2555-F2558 HydrophobicContact CG-CB 4.24Å; P2555-F2558 WeakPolarHBondContact O-CB 3.14Å; P2555-F2558 PolarHBondContact O-N 2.84Å; F2558-L2563 HydrophobicContact CE1-CD1 4.12Å; F2558-L2563 HydrophobicContact CE1-CG 4.22Å; F2558-L2563 HydrophobicContact CZ-CD1 3.74Å; F2558-L2563 HydrophobicContact CZ-CD2 4.04Å; F2558-L2563 HydrophobicContact CZ-CG 3.66Å
2559	N	53.5	Low	45.4	Very low	92.8 Å²	92.8	135.4 Å²	135.4	50%	0.496	72%	0.722	S	S	.	*			trans	-117.1	114	-179.3	177.5	-0.6	0	0	0	109.8	G2557 S2561 Q2562	G2557-N2559 PolarHBondContact O-N 3.35Å; N2559-S2561 VanDerWaalsContact C-N 3.28Å; N2559-S2561 VanDerWaalsContact CG-OG 3.32Å; N2559-S2561 PolarHBondContact ND2-OG 3.07Å; N2559-S2561 VanDerWaalsContact ND2-OG 3.11Å; N2559-S2561 PolarHBondContact O-N 3.12Å; N2559-S2561 WeakPolarHBondContact OD1-CB 3.34Å; N2559-S2561 PolarHBondContact OD1-N 2.92Å; N2559-S2561 VanDerWaalsContact OD1-N 3.13Å; N2559-S2561 PolarHBondContact OD1-OG 3.1Å; N2559-Q2562 HydrophobicContact CB-CG 4.23Å; N2559-Q2562 WeakPolarHBondContact O-CB 3.42Å; N2559-Q2562 PolarHBondContact O-N 3.14Å
2560	P	50.9	Low	45.3	Very low	103.4 Å²	103.4	135.1 Å²	135.1	67%	0.671	73%	0.726	S	S	*	*			trans	-80.7	3.9	-179.9	21	-20	0	0	0	114.3	Q2562 L2563	P2560-Q2562 PolarHBondContact O-N 3.17Å; P2560-Q2562 VanDerWaalsContact O-N 3.13Å; P2560-L2563 WeakPolarHBondContact O-CB 3.07Å; P2560-L2563 PolarHBondContact O-N 2.98Å; P2560-L2563 VanDerWaalsContact O-N 3.09Å
2561	S	45.2	Very low	44.9	Very low	95.8 Å²	95.8	132 Å²	132	67%	0.67	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-90.6	16	178.8	80.2	0	0	0	0	115.7	N2559	N2559-S2561 VanDerWaalsContact C-N 3.28Å; N2559-S2561 VanDerWaalsContact CG-OG 3.32Å; N2559-S2561 PolarHBondContact ND2-OG 3.07Å; N2559-S2561 VanDerWaalsContact ND2-OG 3.11Å; N2559-S2561 PolarHBondContact O-N 3.12Å; N2559-S2561 WeakPolarHBondContact OD1-CB 3.34Å; N2559-S2561 PolarHBondContact OD1-N 2.92Å; N2559-S2561 VanDerWaalsContact OD1-N 3.13Å; N2559-S2561 PolarHBondContact OD1-OG 3.1Å
2562	Q	49.8	Very low	44.4	Very low	159.6 Å²	159.6	134 Å²	134	75%	0.746	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-120.3	36.5	174.2	-66.4	-172.2	-10	0	0	113.2	N2559 P2560 H2564	N2559-Q2562 HydrophobicContact CB-CG 4.23Å; N2559-Q2562 WeakPolarHBondContact O-CB 3.42Å; N2559-Q2562 PolarHBondContact O-N 3.14Å; P2560-Q2562 PolarHBondContact O-N 3.17Å; P2560-Q2562 VanDerWaalsContact O-N 3.13Å; Q2562-H2564 PolarHBondContact O-N 3.1Å; Q2562-H2564 VanDerWaalsContact O-N 3.1Å
2563	L	43	Very low	43.6	Very low	129.6 Å²	129.6	130.4 Å²	130.4	68%	0.679	73%	0.731	S	S	*	*			trans	-117	111.6	167.5	-84.1	163.6	0	0	0	111.9	F2558 P2560 H2565	F2558-L2563 HydrophobicContact CE1-CD1 4.12Å; F2558-L2563 HydrophobicContact CE1-CG 4.22Å; F2558-L2563 HydrophobicContact CZ-CD1 3.74Å; F2558-L2563 HydrophobicContact CZ-CD2 4.04Å; F2558-L2563 HydrophobicContact CZ-CG 3.66Å; P2560-L2563 WeakPolarHBondContact O-CB 3.07Å; P2560-L2563 PolarHBondContact O-N 2.98Å; P2560-L2563 VanDerWaalsContact O-N 3.09Å; L2563-H2565 PolarHBondContact O-N 3.17Å; L2563-H2565 PolarHBondContact O-ND1 2.73Å
2564	H	44.7	Very low	42.9	Very low	164.6 Å²	164.6	127.4 Å²	127.4	76%	0.762	73%	0.727	S	S	*	*			trans	-88.9	131.8	171.8	-83.1	-115.1	0	0	0	108.3	Q2562 H2566	Q2562-H2564 PolarHBondContact O-N 3.1Å; Q2562-H2564 VanDerWaalsContact O-N 3.1Å; H2564-H2566 PolarHBondContact O-CD2 3.06Å; H2564-H2566 PolarHBondContact O-N 3.05Å
2565	H	39.5	Very low	42.2	Very low	162.8 Å²	162.8	128.4 Å²	128.4	75%	0.754	73%	0.734	S	S	*	*			trans	-91.5	129.1	172.9	-63.8	61.9	0	0	0	110.9	L2563 R2567	L2563-H2565 PolarHBondContact O-N 3.17Å; L2563-H2565 PolarHBondContact O-ND1 2.73Å; H2565-R2567 PolarHBondContact O-N 2.9Å
2566	H	39.9	Very low	41.5	Very low	178.4 Å²	178.4	128.8 Å²	128.8	83%	0.826	74%	0.737	S	S	*	*			trans	-131.5	101.6	155.7	-81	-73.5	0	0	0	112.4	H2564 S2568	H2564-H2566 PolarHBondContact O-CD2 3.06Å; H2564-H2566 PolarHBondContact O-N 3.05Å; H2566-S2568 PolarHBondContact O-N 3.23Å
2567	R	35.3	Very low	40.8	Very low	205.8 Å²	205.8	128.4 Å²	128.4	78%	0.777	73%	0.729	S	S	*	*			trans	18.9	122.8	156	-90.7	173.4	162.7	-127.7	2.2	116.2	D1819 E1820 D1821 D1822 H2565	D1819-R2567 HydrophobicContact CB-CB 4.45Å; E1820-R2567 WeakPolarHBondContact O-CG 3.49Å; E1820-R2567 VanDerWaalsContact O-CZ 3.24Å; E1820-R2567 PolarHBondContact O-NE 3.05Å; E1820-R2567 PolarHBondContact O-NH2 3.08Å; D1821-R2567 HydrophobicContact CB-CB 4.25Å; D1821-R2567 WeakPolarHBondContact OD1-CB 3.39Å; D1821-R2567 VanDerWaalsContact OD1-CD 3.31Å; D1821-R2567 WeakPolarHBondContact OD1-CD 3.35Å; D1821-R2567 IonicContact OD1-CZ 3.25Å; D1821-R2567 IonicContact OD1-NE 3.34Å; D1821-R2567 PolarHBondContact OD1-NE 3Å; D1821-R2567 VanDerWaalsContact OD1-NE 3.14Å; D1821-R2567 IonicContact OD1-NH1 3.9Å; D1821-R2567 PolarHBondContact OD1-NH1 3.18Å; D1821-R2567 IonicContact OD1-NH2 3.03Å; D1821-R2567 WeakPolarHBondContact OD2-CB 3.28Å; D1822-R2567 IonicContact OD1-CZ 2.66Å; D1822-R2567 VanDerWaalsContact OD1-CZ 3.28Å; D1822-R2567 IonicContact OD1-NH1 3.43Å; D1822-R2567 PolarHBondContact OD1-NH1 3.28Å; D1822-R2567 VanDerWaalsContact OD1-NH1 3.09Å; D1822-R2567 IonicContact OD1-NH2 2.66Å; D1822-R2567 PolarHBondContact OD1-NH2 3.13Å; D1822-R2567 IonicContact OD2-CZ 3.34Å; D1822-R2567 IonicContact OD2-NH1 2.66Å; D1822-R2567 PolarHBondContact OD2-NH1 3.35Å; D1822-R2567 IonicContact OD2-NH2 3.84Å; H2565-R2567 PolarHBondContact O-N 2.9Å
2568	S	36.9	Very low	39.9	Very low	99.8 Å²	99.8	129.9 Å²	129.9	70%	0.698	73%	0.729	S	S	*	*			trans	-58.2	149.4	144.2	-46.3	0	0	0	0	116.8	D1819 E1820 D1821 H2566	D1819-S2568 VanDerWaalsContact C-OG 3.28Å; D1819-S2568 WeakPolarHBondContact CB-OG 3.12Å; D1819-S2568 PolarHBondContact O-OG 2.55Å; D1819-S2568 VanDerWaalsContact O-OG 3.09Å; E1820-S2568 PolarHBondContact O-OG 3.42Å; D1821-S2568 WeakPolarHBondContact CB-OG 3.42Å; D1821-S2568 PolarHBondContact N-OG 2.99Å; D1821-S2568 VanDerWaalsContact N-OG 3.09Å; D1821-S2568 PolarHBondContact OD2-N 2.87Å; H2566-S2568 PolarHBondContact O-N 3.23Å
2569	S	36.8	Very low	39.1	Very low	106 Å²	106	129.9 Å²	129.9	74%	0.741	73%	0.734	S	S	*	*			trans	-76.7	168.3	-178.1	49.9	0	0	0	0	115
2570	P	36.9	Very low	38.2	Very low	113.2 Å²	113.2	133 Å²	133	74%	0.735	75%	0.745	S	S	*	*				-125.5	149.9	91.3	35.1	-23.7	0	0	0	117.4
2571	S	35.1	Very low	37.4	Very low	106.6 Å²	106.6	135.2 Å²	135.2	75%	0.745	75%	0.746	S	S	*	*			trans	73.7	148.6	136.1	74.9	0	0	0	0	119.6
2572	L	33.4	Very low	36.7	Very low	165.6 Å²	165.6	136.7 Å²	136.7	87%	0.867	75%	0.752	S	S	*	*			trans	-155.8	126.9	172.2	-75.4	151	0	0	0	117.4
2573	C	32.1	Very low	35.8	Very low	116 Å²	116	139.4 Å²	139.4	78%	0.784	76%	0.755	S	S	*	*			trans	-66.3	158.9	163.7	-57.4	0	0	0	0	116.3
2574	P	36.1	Very low	35.3	Very low	123.6 Å²	123.6	141.9 Å²	141.9	80%	0.803	76%	0.76	S	S	*	*				-120	158.2	127	35	-22.8	0	0	0	113.2
2575	S	35.9	Very low	34.7	Very low	96.6 Å²	96.6	140.3 Å²	140.3	68%	0.676	76%	0.762	S	S	*	*			trans	-111.9	153.8	172	-53.4	0	0	0	0	112.6	N2577 L2601 P2602 S2603	S2575-N2577 PolarHBondContact O-N 2.86Å; S2575-L2601 VanDerWaalsContact CA-CD2 3.5Å; S2575-P2602 CarbonylContact C-O 3.6Å; S2575-P2602 VanDerWaalsContact CB-CD 3.49Å; S2575-P2602 WeakPolarHBondContact CB-O 3.25Å; S2575-S2603 PolarHBondContact O-OG 2.88Å
2576	P	38.2	Very low	34.4	Very low	113.8 Å²	113.8	138.3 Å²	138.3	74%	0.739	76%	0.764	S	S	*	*			trans	-125.1	131.4	155.5	35.2	-24.5	0	0	0	115.5	L2601 P2602	P2576-L2601 VanDerWaalsContact C-CB 3.42Å; P2576-L2601 WeakPolarHBondContact O-CB 3.33Å; P2576-P2602 VanDerWaalsContact CA-O 3.3Å; P2576-P2602 WeakPolarHBondContact CA-O 3.36Å
2577	N	32.9	Very low	33.8	Very low	149.2 Å²	149.2	135 Å²	135	80%	0.798	76%	0.76	S	S	*	*			trans	6.1	146.1	149.2	-72.1	-26.7	0	0	0	116.2	S2575 L2601	S2575-N2577 PolarHBondContact O-N 2.86Å; N2577-L2601 PolarHBondContact N-O 2.69Å
2578	S	32.1	Very low	33.5	Very low	102 Å²	102	131.2 Å²	131.2	71%	0.713	76%	0.759	S	S	*	*			cis	-164.7	153.5	17	-168.6	0	0	0	0	110.2
2579	I	32.3	Very low	33.2	Very low	141.8 Å²	141.8	132.5 Å²	132.5	73%	0.727	76%	0.763	S	S	*	*			trans	75.7	111.5	139.6	-62.6	171	0	0	0	117.8
2580	H	35.2	Very low	32.8	Very low	158.4 Å²	158.4	131.3 Å²	131.3	73%	0.733	76%	0.759	S	S	*	*			trans	77.3	130.7	144.1	-96.9	-105.4	0	0	0	120.8
2581	Q	34.7	Very low	32.4	Very low	150.8 Å²	150.8	134.1 Å²	134.1	71%	0.705	76%	0.763	S	S	*	*				92.1	102.5	128.6	-90.8	176.1	40	0	0	120.8	R2583	Q2581-R2583 PolarHBondContact O-N 2.73Å
2582	T	30.5	Very low	32.2	Very low	126.6 Å²	126.6	135.2 Å²	135.2	78%	0.777	76%	0.761	S	S	*	*			trans	34	128.2	134.3	49.1	0	0	0	0	119.4
2583	R	30.8	Very low	32	Very low	216.2 Å²	216.2	134.8 Å²	134.8	82%	0.816	76%	0.756	S	S	*	*			trans	167.5	118.3	138.8	-156.5	179.4	-169.1	-163.9	4.1	114.7	Q2581	Q2581-R2583 PolarHBondContact O-N 2.73Å
2584	K	31.3	Very low	31.9	Very low	182.4 Å²	182.4	134.4 Å²	134.4	79%	0.793	75%	0.75	S	S	*	*			trans	108.4	134.6	144.3	-74	-175.3	175.4	-174.6	0	117.9
2585	T	32	Very low	31.7	Very low	131.4 Å²	131.4	133.9 Å²	133.9	81%	0.806	75%	0.745	S	S	*	*			trans	-94.2	155.4	154.2	38.3	0	0	0	0	111.6
2586	P	33.1	Very low	31.5	Very low	120.4 Å²	120.4	134.9 Å²	134.9	78%	0.782	75%	0.747	S	S	*	*				-126.2	-176.3	82.3	39	-26	0	0	0	113.7
2587	C	27.1	Very low	31.1	Very low	109.2 Å²	109.2	136.3 Å²	136.3	74%	0.738	75%	0.749	S	S	*	*			trans	-52.6	152.9	165.5	-91.8	0	0	0	0	113
2588	T	29.9	Very low	31.1	Very low	124.8 Å²	124.8	133.7 Å²	133.7	77%	0.766	74%	0.742	S	S	*	*				154.3	146	105.7	37.3	0	0	0	0	114.7
2589	T	29.8	Very low	31.1	Very low	128 Å²	128	137.2 Å²	137.2	79%	0.785	75%	0.747	S	S	*	*				111.8	137.6	116.9	-54.2	0	0	0	0	115.8
2590	A	28.4	Very low	31.2	Very low	80 Å²	80	135.5 Å²	135.5	66%	0.661	75%	0.747	S	S	*	*			trans	52	153.8	139.1	0	0	0	0	0	119.5
2591	E	29.8	Very low	31.2	Very low	171.8 Å²	171.8	134.4 Å²	134.4	80%	0.803	75%	0.746	S	S	*	*			trans	70.2	125.2	140.9	-64.9	-176.1	177.8	0	0	120
2592	N	29.6	Very low	31.2	Very low	131.6 Å²	131.6	132.6 Å²	132.6	70%	0.704	75%	0.748	S	S	*	*				79.5	137.5	123.5	-90.1	-33.3	0	0	0	119.7
2593	M	29.7	Very low	31.2	Very low	155.6 Å²	155.6	130.8 Å²	130.8	77%	0.767	74%	0.74	S	S	*	*				112.3	120.6	121.3	-83.1	-107.7	-179.5	0	0	115.9
2594	T	30.4	Very low	31.3	Very low	107.8 Å²	107.8	126.6 Å²	126.6	66%	0.661	74%	0.739	S	S	*	*				66.1	129.4	118.9	14.9	0	0	0	0	118.5
2595	T	31.4	Very low	31.1	Very low	113.4 Å²	113.4	123.8 Å²	123.8	70%	0.696	74%	0.737	S	S	*	*			cis	154.3	153.3	46.4	25.1	0	0	0	0	116
2596	T	32.6	Very low	30.9	Very low	117.6 Å²	117.6	123.8 Å²	123.8	72%	0.721	74%	0.736	S	S	*	*			trans	69	126.6	144	52.7	0	0	0	0	122.5
2597	N	30	Very low	30.7	Very low	144 Å²	144	124.1 Å²	124.1	77%	0.77	74%	0.736	S	S	*	*				80.7	141.3	121.8	-96.8	-5	0	0	0	118.3
2598	S	32.3	Very low	30.8	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	74%	0.738	S	S	*	*				116	142.2	114.6	53.1	0	0	0	0	115.8
2599	Q	32.9	Very low	30.7	Very low	177.2 Å²	177.2	123 Å²	123	83%	0.828	73%	0.734	S	S	*	*				78.2	133.7	120	-62.1	178.4	20.4	0	0	117.6
2600	S	33.6	Very low	30.6	Very low	104.6 Å²	104.6	122 Å²	122	73%	0.731	73%	0.732	S	S	*	*			trans	94.7	144.2	133.3	54.9	0	0	0	0	116.6
2601	L	34.3	Very low	30.6	Very low	136.25 Å²	136.25	123.1 Å²	123.1	71%	0.713	74%	0.735	S	S	*	*			trans	-89.4	150.8	133.9	-73.5	90.3	0	0	0	111.9	S2575 P2576 N2577	S2575-L2601 VanDerWaalsContact CA-CD2 3.5Å; P2576-L2601 VanDerWaalsContact C-CB 3.42Å; P2576-L2601 WeakPolarHBondContact O-CB 3.33Å; N2577-L2601 PolarHBondContact N-O 2.69Å
2602	P	36	Very low	30.5	Very low	112.5 Å²	112.5	119.8 Å²	119.8	73%	0.731	73%	0.731	S	S	*	*				-118.3	169.5	93.1	35.7	-28.7	0	0	0	114.1	S2575 P2576	S2575-P2602 CarbonylContact C-O 3.6Å; S2575-P2602 VanDerWaalsContact CB-CD 3.49Å; S2575-P2602 WeakPolarHBondContact CB-O 3.25Å; P2576-P2602 VanDerWaalsContact CA-O 3.3Å; P2576-P2602 WeakPolarHBondContact CA-O 3.36Å
2603	S	30.8	Very low	30.6	Very low	89 Å²	89	118.5 Å²	118.5	62%	0.622	73%	0.732	S	S	*	*			trans	-93.8	139.3	152.2	-68.1	0	0	0	0	115.1	S2575	S2575-S2603 PolarHBondContact O-OG 2.88Å
2604	T	31.4	Very low	30.8	Very low	128.25 Å²	128.25	116.5 Å²	116.5	79%	0.787	73%	0.731	S	S	*	*			trans	60.6	121.7	145.7	-9.8	0	0	0	0	117.3
2605	T	27.5	Very low	30.7	Very low	123.75 Å²	123.75	117.9 Å²	117.9	76%	0.759	73%	0.733	S	S	*	*			trans	-133.5	149.4	143.1	-39.2	0	0	0	0	112.9	V2607	T2605-V2607 HydrophobicContact CG2-CG2 3.76Å
2606	V	29.3	Very low	30.6	Very low	130.25 Å²	130.25	119.8 Å²	119.8	79%	0.789	74%	0.739	S	S	*	*			trans	-129.9	141.2	149.9	-168.2	0	0	0	0	108.6
2607	V	27.1	Very low	30.6	Very low	126.5 Å²	126.5	119.1 Å²	119.1	77%	0.767	74%	0.738	S	S	*	*			trans	-108.8	143.3	174.7	-162	0	0	0	0	111.5	T2605	T2605-V2607 HydrophobicContact CG2-CG2 3.76Å
2608	V	30.3	Very low	30.7	Very low	131.25 Å²	131.25	117.6 Å²	117.6	80%	0.795	74%	0.739	S	S	*	*			trans	-145.4	136.4	154.1	179.6	0	0	0	0	108.6
2609	A	27.8	Very low	30.9	Very low	81.25 Å²	81.25	119 Å²	119	67%	0.671	75%	0.746	S	S	*	*			trans	54.8	129.7	151.8	0	0	0	0	0	116.7
2610	S	28.3	Very low	30.8	Very low	107 Å²	107	113.9 Å²	113.9	75%	0.748	74%	0.741	S	S	*	*				136.4	139.3	115.1	-79.7	0	0	0	0	116.5
2611	S	27.6	Very low	30.6	Very low	103.25 Å²	103.25	116.4 Å²	116.4	72%	0.722	75%	0.746	S	S	*	*			trans	59.5	114.4	132.9	68.1	0	0	0	0	119.3
2612	S	28.6	Very low	30.5	Very low	102.5 Å²	102.5	115.7 Å²	115.7	72%	0.717	75%	0.747	S	S	*	*				128.4	134.4	94.4	47.8	0	0	0	0	114.4	P2614	S2612-P2614 WeakPolarHBondContact O-CD 3.38Å
2613	S	31.3	Very low	30.2	Very low	103.5 Å²	103.5	117.4 Å²	117.4	72%	0.724	75%	0.748	S	S	*	*			trans	36.7	146.4	146.9	-51.5	0	0	0	0	116.8	I2615	S2613-I2615 WeakPolarHBondContact O-CD1 3.43Å; S2613-I2615 WeakPolarHBondContact O-CG1 3.34Å
2614	P	33.5	Very low	30.3	Very low	114.5 Å²	114.5	120.8 Å²	120.8	74%	0.744	76%	0.758	S	S	*	*				-123.8	145.5	119.6	32.5	-16.6	0	0	0	112.3	S2612	S2612-P2614 WeakPolarHBondContact O-CD 3.38Å
2615	I	28.3	Very low	30.2	Very low	137.25 Å²	137.25	120.5 Å²	120.5	70%	0.704	75%	0.752	S	S	*	*				66.4	103.4	94.3	-52.2	163.3	0	0	0	115.1	S2613	S2613-I2615 WeakPolarHBondContact O-CD1 3.43Å; S2613-I2615 WeakPolarHBondContact O-CG1 3.34Å
2616	N	29.8	Very low	30.4	Very low	152.25 Å²	152.25	119.6 Å²	119.6	81%	0.814	75%	0.747	S	S	*	*			trans	178.2	126.4	132.6	-105.7	-10.8	0	0	0	114.1
2617	S	31.7	Very low	30.6	Very low	103 Å²	103	122.1 Å²	122.1	72%	0.72	75%	0.747	S	S	*	*				-102.3	145	79.2	-55.5	0	0	0	0	115.1
2618	S	31.5	Very low	30.7	Very low	111.5 Å²	111.5	120.7 Å²	120.7	78%	0.78	74%	0.743	S	S	*	*			trans	-56.1	179.5	159.8	-49.2	0	0	0	0	113.6
2619	P	37.3	Very low	30.8	Very low	122.75 Å²	122.75	120.7 Å²	120.7	80%	0.797	74%	0.737	S	S	*	*			cis	-125.1	-176.2	-19.7	36.4	-17.8	0	0	0	113.3	L2621	P2619-L2621 PolarHBondContact O-N 2.83Å
2620	G	31.3	Very low	31	Very low	70.25 Å²	70.25	127.5 Å²	127.5	72%	0.724	75%	0.745	S	S	*	*			cis	164.1	153.8	17	0	0	0	0	0	110.9
2621	L	29.1	Very low	31	Very low	158 Å²	158	129.3 Å²	129.3	83%	0.827	75%	0.746	S	S	*	*				-170.9	152.5	85.1	-136.8	75.2	0	0	0	110.9	P2619 I2623	P2619-L2621 PolarHBondContact O-N 2.83Å; L2621-I2623 HydrophobicContact CD1-CD1 3.64Å; L2621-I2623 HydrophobicContact CD1-CG1 4.42Å; L2621-I2623 HydrophobicContact CG-CD1 4.12Å
2622	V	31.3	Very low	31.5	Very low	122 Å²	122	129.6 Å²	129.6	74%	0.739	75%	0.746	S	S	*	*				-110	139.3	96.9	-158.9	0	0	0	0	111.7	L2624	V2622-L2624 PolarHBondContact O-N 2.76Å
2623	I	30	Very low	31.7	Very low	147 Å²	147	133.3 Å²	133.3	75%	0.754	75%	0.752	S	S	*	*				-97.8	125	113.7	-61.7	173.1	0	0	0	109.6	L2621	L2621-I2623 HydrophobicContact CD1-CD1 3.64Å; L2621-I2623 HydrophobicContact CD1-CG1 4.42Å; L2621-I2623 HydrophobicContact CG-CD1 4.12Å
2624	L	33.5	Very low	31.6	Very low	160.5 Å²	160.5	135.1 Å²	135.1	84%	0.84	75%	0.752	S	S	*	*			trans	-176.5	137.4	134.1	-134.5	86.9	0	0	0	111.9	V2622	V2622-L2624 PolarHBondContact O-N 2.76Å
2625	D	28.8	Very low	31.6	Very low	121.25 Å²	121.25	136.8 Å²	136.8	65%	0.648	75%	0.753	S	S	*	*				-119.5	152.9	-123.2	-178.8	22.9	0	0	0	110.3	K2627	D2625-K2627 PolarHBondContact OD1-N 3.28Å; D2625-K2627 IonicContact OD1-NZ 3.77Å; D2625-K2627 IonicContact OD2-NZ 2.67Å; D2625-K2627 PolarHBondContact OD2-NZ 2.83Å
2626	T	32.9	Very low	31.5	Very low	106.75 Å²	106.75	135.3 Å²	135.3	66%	0.655	76%	0.755	S	S	*	*			trans	99.3	134.3	163.4	63.2	0	0	0	0	118.1
2627	K	32	Very low	31.5	Very low	181.75 Å²	181.75	133.3 Å²	133.3	79%	0.79	75%	0.752	S	S	*	*			trans	71.4	136.7	145.7	-70.7	159.3	-175	165.8	0	118.7	D2625	D2625-K2627 PolarHBondContact OD1-N 3.28Å; D2625-K2627 IonicContact OD1-NZ 3.77Å; D2625-K2627 IonicContact OD2-NZ 2.67Å; D2625-K2627 PolarHBondContact OD2-NZ 2.83Å
2628	S	30.1	Very low	31.3	Very low	97 Å²	97	135.6 Å²	135.6	68%	0.678	75%	0.754	S	S	*	*				130.8	131.7	105.6	-153.7	0	0	0	0	118
2629	I	31.8	Very low	31.2	Very low	132 Å²	132	136.1 Å²	136.1	68%	0.677	75%	0.753	S	S	*	*			trans	71.1	123	143	-63.8	169	0	0	0	118.9
2630	R	31.2	Very low	30.8	Very low	222.75 Å²	222.75	136.2 Å²	136.2	84%	0.841	75%	0.752	S	S	*	*				43.6	158.2	117.5	-75.1	158.2	-149.3	167.8	2.5	120.6
2631	N	30	Very low	30.8	Very low	145.25 Å²	145.25	137.5 Å²	137.5	78%	0.777	76%	0.755	S	S	*	*			trans	-107.8	166.2	153.7	-91.2	17.9	0	0	0	113
2632	P	37.8	Very low	30.7	Very low	110.75 Å²	110.75	135 Å²	135	72%	0.719	75%	0.751	S	S	*	*				-121.9	179	95.6	41.7	-28.4	0	0	0	115
2633	E	32.4	Very low	30.7	Very low	179.25 Å²	179.25	137.3 Å²	137.3	84%	0.838	76%	0.758	S	S	*	*			trans	155.2	147.7	152.8	-126.6	170.7	161.8	0	0	116.5
2634	I	30.1	Very low	30.7	Very low	142 Å²	142	135.4 Å²	135.4	73%	0.728	76%	0.758	S	S	*	*			trans	-145.4	145.8	166.3	-66.2	159.2	0	0	0	112.5
2635	I	32.8	Very low	30.6	Very low	149.5 Å²	149.5	132.2 Å²	132.2	77%	0.767	76%	0.755	S	S	*	*			trans	179.4	133.1	168.1	-94.4	157.1	0	0	0	110.9	C2637	I2635-C2637 HydrophobicContact CG2-CB 3.89Å
2636	S	27	Very low	30.8	Very low	106.75 Å²	106.75	131.7 Å²	131.7	75%	0.747	76%	0.758	S	S	*	*			trans	178.9	142	151.2	-60.6	0	0	0	0	113.5
2637	C	28	Very low	30.6	Very low	110.25 Å²	110.25	135.3 Å²	135.3	75%	0.745	77%	0.768	S	S	*	*				-148.7	131.2	87.3	-27.6	0	0	0	0	112.8	I2635	I2635-C2637 HydrophobicContact CG2-CB 3.89Å
2638	I	28.2	Very low	30.5	Very low	149.75 Å²	149.75	131.9 Å²	131.9	77%	0.768	77%	0.767	S	S	*	*				34.3	137.8	123.3	-39.4	166.3	0	0	0	116.6
2639	T	30.4	Very low	30.7	Very low	123.5 Å²	123.5	132.5 Å²	132.5	76%	0.758	77%	0.771	S	S	*	*				147.9	116.7	123.7	-50.8	0	0	0	0	114.2
2640	T	28.2	Very low	30.6	Very low	124.5 Å²	124.5	132.5 Å²	132.5	76%	0.764	78%	0.777	S	S	*	*				3.4	138.1	124.3	58.4	0	0	0	0	117.8
2641	A	30.8	Very low	30.6	Very low	96 Å²	96	129.1 Å²	129.1	79%	0.793	77%	0.774	S	S	*	*			trans	-171.7	120.7	142.5	0	0	0	0	0	112.7
2642	S	26.4	Very low	30.6	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	77%	0.773	S	S	*	*			trans	134.3	136.3	130.3	42.3	0	0	0	0	114.4
2643	L	32.5	Very low	30.4	Very low	170.5 Å²	170.5	129.6 Å²	129.6	89%	0.893	78%	0.775	S	S	*	*			trans	-158.9	158.6	142.4	-92.9	100.1	0	0	0	112.1
2644	S	29.1	Very low	30.5	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	77%	0.769	S	S	*	*				-152.1	162.7	-87.5	48.5	0	0	0	0	111.5
2645	A	31.1	Very low	30.6	Very low	93.25 Å²	93.25	125.7 Å²	125.7	77%	0.771	78%	0.775	S	S	*	*			trans	45.7	166.7	164.1	0	0	0	0	0	117.2
2646	P	33.2	Very low	30.6	Very low	110.5 Å²	110.5	122.8 Å²	122.8	72%	0.718	77%	0.773	S	S	*	*			cis	-137.5	172.6	0.4	35.1	-14.7	0	0	0	116.9
2647	E	29.9	Very low	30.7	Very low	182.5 Å²	182.5	124.1 Å²	124.1	85%	0.853	78%	0.776	S	S	*	*			trans	45.2	140.7	149.4	-64.9	171	162.7	0	0	121.8
2648	S	29.7	Very low	30.7	Very low	110.75 Å²	110.75	127.9 Å²	127.9	77%	0.774	78%	0.781	S	S	*	*				137.8	147.9	126.8	133.7	0	0	0	0	116.6
2649	S	32.8	Very low	30.5	Very low	108.25 Å²	108.25	126.3 Å²	126.3	76%	0.757	78%	0.782	S	S	*	*			trans	82.1	129.7	154.1	66.4	0	0	0	0	117.9
2650	V	30.3	Very low	30.5	Very low	132.5 Å²	132.5	126.4 Å²	126.4	80%	0.803	78%	0.782	S	S	*	*				-143.5	146.7	61.7	146.1	0	0	0	0	114.4
2651	L	30.9	Very low	30.5	Very low	150.75 Å²	150.75	126.7 Å²	126.7	79%	0.789	78%	0.784	S	S	*	*			trans	82.8	125.1	163.6	-125	73.1	0	0	0	118.5	V2653	L2651-V2653 PolarHBondContact O-N 3.37Å
2652	N	31.4	Very low	30.6	Very low	140.5 Å²	140.5	126.7 Å²	126.7	75%	0.751	78%	0.778	S	S	*	*			trans	88.4	117.4	137.5	-88.9	5.9	0	0	0	118.4
2653	V	33.2	Very low	30.9	Very low	127 Å²	127	126.6 Å²	126.6	77%	0.77	78%	0.777	S	S	*	*			trans	159.4	131	144.4	175.4	0	0	0	0	114	L2651	L2651-V2653 PolarHBondContact O-N 3.37Å
2654	P	34.8	Very low	31.1	Very low	109.75 Å²	109.75	128.2 Å²	128.2	71%	0.713	78%	0.78	S	S	*	*			trans	-96.2	165.1	130.3	27.5	-17.9	0	0	0	112.6	A2656	P2654-A2656 PolarHBondContact O-N 3.12Å
2655	P	32.5	Very low	31.8	Very low	129.75 Å²	129.75	126.7 Å²	126.7	84%	0.843	77%	0.77	S	S	*	*			trans	-79.6	131.1	-173.4	31.1	-34.2	0	0	0	113.3	T2657	P2655-T2657 PolarHBondContact O-N 3.12Å
2656	A	31.1	Very low	33	Very low	87.75 Å²	87.75	128.6 Å²	128.6	73%	0.725	77%	0.771	S	S	*	*			trans	-102.3	129.7	170.1	0	0	0	0	0	111.3	P2654 F2658	P2654-A2656 PolarHBondContact O-N 3.12Å; A2656-F2658 HydrophobicContact CB-CE2 4.44Å; A2656-F2658 WeakPolarHBondContact O-CD2 3.32Å; A2656-F2658 PolarHBondContact O-N 2.96Å
2657	T	30.3	Very low	34.5	Very low	133.5 Å²	133.5	127.3 Å²	127.3	82%	0.819	76%	0.758	S	S	*	*			trans	-29.8	110.9	171.2	-45.6	0	0	0	0	114.2	P2655 C2659	P2655-T2657 PolarHBondContact O-N 3.12Å; T2657-C2659 PolarHBondContact O-N 2.92Å; T2657-C2659 VanDerWaalsContact O-N 3.11Å
2658	F	27.3	Very low	36.8	Very low	191.75 Å²	191.75	122.1 Å²	122.1	84%	0.841	74%	0.739	S	S	*	*			trans	-69.4	109.2	170.9	-86.8	-95.5	0	0	0	111.1	A2656 V2660	A2656-F2658 HydrophobicContact CB-CE2 4.44Å; A2656-F2658 WeakPolarHBondContact O-CD2 3.32Å; A2656-F2658 PolarHBondContact O-N 2.96Å; F2658-V2660 VanDerWaalsContact C-N 3.32Å; F2658-V2660 HydrophobicContact CB-CG2 4.49Å; F2658-V2660 PolarHBondContact O-N 3.12Å; F2658-V2660 VanDerWaalsContact O-N 3.11Å
2659	C	25.2	Very low	39.2	Very low	116.25 Å²	116.25	122 Å²	122	79%	0.785	73%	0.733	S	S	*	*			trans	-73	106.1	159.7	-66.9	0	0	0	0	109.3	T2657 T2661	T2657-C2659 PolarHBondContact O-N 2.92Å; T2657-C2659 VanDerWaalsContact O-N 3.11Å; C2659-T2661 PolarHBondContact O-N 3.04Å; C2659-T2661 VanDerWaalsContact O-N 3.07Å
2660	V	29.6	Very low	41.4	Very low	124.5 Å²	124.5	122.3 Å²	122.3	76%	0.755	73%	0.727	S	S	*	*			trans	-81.9	106.8	168.3	179.1	0	0	0	0	108.1	F2658 S2662	F2658-V2660 VanDerWaalsContact C-N 3.32Å; F2658-V2660 HydrophobicContact CB-CG2 4.49Å; F2658-V2660 PolarHBondContact O-N 3.12Å; F2658-V2660 VanDerWaalsContact O-N 3.11Å; V2660-S2662 VanDerWaalsContact C-N 3.27Å; V2660-S2662 PolarHBondContact O-N 2.99Å
2661	T	28.5	Very low	43.9	Very low	131.5 Å²	131.5	120.7 Å²	120.7	81%	0.807	71%	0.71	S	S	*	*			trans	-73.9	87.8	169.5	49.8	0	0	0	0	109.3	C2659 S2663	C2659-T2661 PolarHBondContact O-N 3.04Å; C2659-T2661 VanDerWaalsContact O-N 3.07Å; T2661-S2663 PolarHBondContact O-N 3.35Å
2662	S	32.6	Very low	46.3	Very low	96 Å²	96	115.3 Å²	115.3	67%	0.671	68%	0.683	S	S	*	*			trans	-66.9	117.4	172.8	115.4	0	0	0	0	110.2	V2660 Q2664	V2660-S2662 VanDerWaalsContact C-N 3.27Å; V2660-S2662 PolarHBondContact O-N 2.99Å; S2662-Q2664 PolarHBondContact O-N 3Å
2663	S	31.8	Very low	48.8	Very low	103.75 Å²	103.75	112.5 Å²	112.5	73%	0.726	67%	0.668	S	S	*	*			trans	-80.5	128.4	178.4	38.1	0	0	0	0	111	T2661 S2665	T2661-S2663 PolarHBondContact O-N 3.35Å; S2663-S2665 PolarHBondContact O-N 3.3Å; S2663-S2665 VanDerWaalsContact O-N 3.15Å
2664	Q	37.5	Very low	51.3	Low	204.25 Å²	204.25	109.8 Å²	109.8	95%	0.954	65%	0.654	S	S	*	*	S	Bend	trans	5.2	72.4	175.2	-60.2	177.2	9.8	0	0	114.8	S2662	S2662-Q2664 PolarHBondContact O-N 3Å
2665	S	44.4	Very low	53.7	Low	76.75 Å²	76.75	107.8 Å²	107.8	54%	0.537	64%	0.638	S	S	.	*			trans	-109.8	144.8	155.3	48.4	0	0	0	0	109.3	S2663 D2667	S2663-S2665 PolarHBondContact O-N 3.3Å; S2663-S2665 VanDerWaalsContact O-N 3.15Å; S2665-D2667 PolarHBondContact OG-OD1 3.01Å
2666	V	56.7	Low	56.3	Low	133 Å²	133	105.5 Å²	105.5	81%	0.806	62%	0.621	S	S	*	*			trans	-89.2	109.9	163.6	-162.2	0	0	0	0	106.5	T2668	V2666-T2668 PolarHBondContact O-N 3.13Å
2667	D	64	Low	58.9	Low	82 Å²	82	106.1 Å²	106.1	44%	0.439	62%	0.619	S	S	.	*			trans	-57	131.6	-176.6	-48.5	-41.5	0	0	0	110.2	S2665 V2672	S2665-D2667 PolarHBondContact OG-OD1 3.01Å; D2667-V2672 HydrophobicContact CB-CG2 4.07Å
2668	T	78.8	Confident	61.7	Low	74 Å²	74	102.5 Å²	102.5	45%	0.454	60%	0.602	S	S	.	*			trans	-74.1	155.4	-177	61.1	0	0	0	0	111.2	V2666 D2670 E2671 V2672	V2666-T2668 PolarHBondContact O-N 3.13Å; T2668-D2670 PolarHBondContact O-N 3Å; T2668-E2671 VanDerWaalsContact CB-OE2 3.29Å; T2668-E2671 WeakPolarHBondContact CB-OE2 3.27Å; T2668-E2671 WeakPolarHBondContact CG2-OE2 3.41Å; T2668-E2671 PolarHBondContact N-OE2 2.91Å; T2668-E2671 VanDerWaalsContact N-OE2 3.11Å; T2668-E2671 WeakPolarHBondContact O-CB 3.29Å; T2668-E2671 PolarHBondContact O-N 3.17Å; T2668-E2671 VanDerWaalsContact O-N 3.07Å; T2668-E2671 VanDerWaalsContact OG1-CB 3.24Å; T2668-E2671 WeakPolarHBondContact OG1-CB 3.31Å; T2668-E2671 VanDerWaalsContact OG1-CD 3.27Å; T2668-E2671 VanDerWaalsContact OG1-CG 3.3Å; T2668-E2671 WeakPolarHBondContact OG1-CG 3.29Å; T2668-E2671 PolarHBondContact OG1-N 2.96Å; T2668-E2671 PolarHBondContact OG1-OE2 3.03Å; T2668-E2671 VanDerWaalsContact OG1-OE2 3.08Å; T2668-V2672 WeakPolarHBondContact O-CG2 3.4Å; T2668-V2672 PolarHBondContact O-N 3.1Å
2669	V	79	Confident	64.3	Low	108.5 Å²	108.5	96.5 Å²	96.5	66%	0.658	60%	0.595	S	S	*	*	H	α-helix	trans	-59.2	-35.5	-179.6	178	0	0	0	0	111.4	E2671 I2673	V2669-E2671 VanDerWaalsContact C-N 3.28Å; V2669-E2671 PolarHBondContact O-N 3.14Å; V2669-I2673 HydrophobicContact CG1-CD1 3.88Å; V2669-I2673 HydrophobicContact CG1-CG1 4.44Å; V2669-I2673 WeakPolarHBondContact O-CB 3.34Å; V2669-I2673 WeakPolarHBondContact O-CD1 3.35Å; V2669-I2673 WeakPolarHBondContact O-CG1 3.4Å; V2669-I2673 PolarHBondContact O-N 3.01Å
2670	D	79	Confident	67.1	Low	115.5 Å²	115.5	97.8 Å²	97.8	62%	0.618	59%	0.589	S	S	*	*	H	α-helix	trans	-71.6	-30.4	177.1	-62.1	-50.9	0	0	0	112.7	T2668 S2674	T2668-D2670 PolarHBondContact O-N 3Å; D2670-S2674 VanDerWaalsContact O-CB 3.26Å; D2670-S2674 WeakPolarHBondContact O-CB 3.36Å; D2670-S2674 PolarHBondContact O-N 2.99Å
2671	E	82.4	Confident	69.9	Low	98.5 Å²	98.5	95 Å²	95	46%	0.46	57%	0.567	S	S	.	*	H	α-helix	trans	-72.4	-44.7	174.2	-124.4	164.1	177.5	0	0	111.2	T2668 V2669 I2673 S2674 D2675	T2668-E2671 VanDerWaalsContact CB-OE2 3.29Å; T2668-E2671 WeakPolarHBondContact CB-OE2 3.27Å; T2668-E2671 WeakPolarHBondContact CG2-OE2 3.41Å; T2668-E2671 PolarHBondContact N-OE2 2.91Å; T2668-E2671 VanDerWaalsContact N-OE2 3.11Å; T2668-E2671 WeakPolarHBondContact O-CB 3.29Å; T2668-E2671 PolarHBondContact O-N 3.17Å; T2668-E2671 VanDerWaalsContact O-N 3.07Å; T2668-E2671 VanDerWaalsContact OG1-CB 3.24Å; T2668-E2671 WeakPolarHBondContact OG1-CB 3.31Å; T2668-E2671 VanDerWaalsContact OG1-CD 3.27Å; T2668-E2671 VanDerWaalsContact OG1-CG 3.3Å; T2668-E2671 WeakPolarHBondContact OG1-CG 3.29Å; T2668-E2671 PolarHBondContact OG1-N 2.96Å; T2668-E2671 PolarHBondContact OG1-OE2 3.03Å; T2668-E2671 VanDerWaalsContact OG1-OE2 3.08Å; V2669-E2671 VanDerWaalsContact C-N 3.28Å; V2669-E2671 PolarHBondContact O-N 3.14Å; E2671-I2673 VanDerWaalsContact C-N 3.31Å; E2671-I2673 PolarHBondContact O-N 3.04Å; E2671-S2674 WeakPolarHBondContact O-CA 3.36Å; E2671-S2674 VanDerWaalsContact O-CB 3.3Å; E2671-S2674 WeakPolarHBondContact O-CB 3.36Å; E2671-S2674 PolarHBondContact O-N 3.18Å; E2671-S2674 VanDerWaalsContact O-N 3.13Å; E2671-D2675 PolarHBondContact O-N 3.12Å
2672	V	83.1	Confident	72.6	Confident	35.75 Å²	35.75	92.4 Å²	92.4	22%	0.217	55%	0.548	C	S	.	.	H	α-helix	trans	-61	-40.8	172	176.5	0	0	0	0	111.3	D2667 T2668 D2675 V2676 F2681 Y2686	D2667-V2672 HydrophobicContact CB-CG2 4.07Å; T2668-V2672 WeakPolarHBondContact O-CG2 3.4Å; T2668-V2672 PolarHBondContact O-N 3.1Å; V2672-D2675 PolarHBondContact O-N 3.1Å; V2672-V2676 WeakPolarHBondContact O-CB 3.3Å; V2672-V2676 VanDerWaalsContact O-CG2 3.26Å; V2672-V2676 WeakPolarHBondContact O-CG2 3.32Å; V2672-V2676 PolarHBondContact O-N 3.08Å; V2672-F2681 HydrophobicContact CG1-CD2 4.14Å; V2672-F2681 HydrophobicContact CG1-CE2 3.82Å; V2672-F2681 HydrophobicContact CG1-CZ 4.31Å; V2672-Y2686 HydrophobicContact CG2-CE2 4.16Å
2673	I	83.9	Confident	74.9	Confident	82.75 Å²	82.75	91.4 Å²	91.4	42%	0.424	54%	0.538	S	S	.	.	H	α-helix	trans	-64.6	-40.7	173.5	-72.5	167.5	0	0	0	111	V2669 E2671 V2676 C2677	V2669-I2673 HydrophobicContact CG1-CD1 3.88Å; V2669-I2673 HydrophobicContact CG1-CG1 4.44Å; V2669-I2673 WeakPolarHBondContact O-CB 3.34Å; V2669-I2673 WeakPolarHBondContact O-CD1 3.35Å; V2669-I2673 WeakPolarHBondContact O-CG1 3.4Å; V2669-I2673 PolarHBondContact O-N 3.01Å; E2671-I2673 VanDerWaalsContact C-N 3.31Å; E2671-I2673 PolarHBondContact O-N 3.04Å; I2673-V2676 PolarHBondContact O-N 3.03Å; I2673-C2677 VanDerWaalsContact O-CB 3.32Å; I2673-C2677 WeakPolarHBondContact O-CB 3.29Å; I2673-C2677 PolarHBondContact O-N 3.12Å; I2673-C2677 PolarHBondContact O-SG 2.83Å
2674	S	83.7	Confident	76.9	Confident	69.75 Å²	69.75	92.5 Å²	92.5	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-59.9	-47.8	176	-178.2	0	0	0	0	111.6	D2670 E2671 C2677 A2678	D2670-S2674 VanDerWaalsContact O-CB 3.26Å; D2670-S2674 WeakPolarHBondContact O-CB 3.36Å; D2670-S2674 PolarHBondContact O-N 2.99Å; E2671-S2674 WeakPolarHBondContact O-CA 3.36Å; E2671-S2674 VanDerWaalsContact O-CB 3.3Å; E2671-S2674 WeakPolarHBondContact O-CB 3.36Å; E2671-S2674 PolarHBondContact O-N 3.18Å; E2671-S2674 VanDerWaalsContact O-N 3.13Å; S2674-C2677 CarbonylContact O-C 3.58Å; S2674-C2677 PolarHBondContact O-N 3.02Å; S2674-A2678 VanDerWaalsContact O-CB 3.28Å; S2674-A2678 WeakPolarHBondContact O-CB 3.34Å; S2674-A2678 PolarHBondContact O-N 3.32Å
2675	D	85.7	Confident	78.8	Confident	67.75 Å²	67.75	85.7 Å²	85.7	36%	0.362	51%	0.506	S	S	.	.	H	α-helix	trans	-69.1	-33.9	179.4	-78.9	-14.9	0	0	0	112.9	E2671 V2672 C2677 A2678 G2679 H2680 F2681	E2671-D2675 PolarHBondContact O-N 3.12Å; V2672-D2675 PolarHBondContact O-N 3.1Å; D2675-C2677 VanDerWaalsContact C-N 3.34Å; D2675-A2678 PolarHBondContact O-N 2.9Å; D2675-G2679 CarbonylContact O-C 3.5Å; D2675-G2679 PolarHBondContact O-N 3.17Å; D2675-H2680 HydrophobicContact CB-CB 4.33Å; D2675-H2680 PolarHBondContact O-N 3.07Å; D2675-F2681 HydrophobicContact CB-CB 4.2Å; D2675-F2681 PolarHBondContact O-N 3.36Å; D2675-F2681 VanDerWaalsContact O-N 3.14Å
2676	V	87.9	Confident	80.5	Confident	81.25 Å²	81.25	87.2 Å²	87.2	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-41	170.4	168.6	0	0	0	0	110.8	V2672 I2673 G2679 F2681	V2672-V2676 WeakPolarHBondContact O-CB 3.3Å; V2672-V2676 VanDerWaalsContact O-CG2 3.26Å; V2672-V2676 WeakPolarHBondContact O-CG2 3.32Å; V2672-V2676 PolarHBondContact O-N 3.08Å; I2673-V2676 PolarHBondContact O-N 3.03Å; V2676-G2679 PolarHBondContact O-N 3.02Å; V2676-F2681 HydrophobicContact CB-CB 4.36Å; V2676-F2681 HydrophobicContact CG2-CB 3.6Å; V2676-F2681 HydrophobicContact CG2-CD1 3.73Å; V2676-F2681 HydrophobicContact CG2-CD2 4.03Å; V2676-F2681 HydrophobicContact CG2-CE1 4.35Å; V2676-F2681 HydrophobicContact CG2-CG 3.51Å; V2676-F2681 VanDerWaalsContact CG2-CG 3.48Å
2677	C	85.5	Confident	81.5	Confident	101 Å²	101	85.2 Å²	85.2	68%	0.682	49%	0.485	S	S	*	.	H	α-helix	trans	-73.5	-29	177.7	-70.9	0	0	0	0	113.5	I2673 S2674 D2675	I2673-C2677 VanDerWaalsContact O-CB 3.32Å; I2673-C2677 WeakPolarHBondContact O-CB 3.29Å; I2673-C2677 PolarHBondContact O-N 3.12Å; I2673-C2677 PolarHBondContact O-SG 2.83Å; S2674-C2677 CarbonylContact O-C 3.58Å; S2674-C2677 PolarHBondContact O-N 3.02Å; D2675-C2677 VanDerWaalsContact C-N 3.34Å
2678	A	88.2	Confident	81.9	Confident	57.25 Å²	57.25	88.3 Å²	88.3	47%	0.473	50%	0.495	S	S	.	.	H	α-helix	trans	-81.5	-16	175	0	0	0	0	0	113.3	S2674 D2675 H2680	S2674-A2678 VanDerWaalsContact O-CB 3.28Å; S2674-A2678 WeakPolarHBondContact O-CB 3.34Å; S2674-A2678 PolarHBondContact O-N 3.32Å; D2675-A2678 PolarHBondContact O-N 2.9Å; A2678-H2680 VanDerWaalsContact C-N 3.34Å
2679	G	82	Confident	81.6	Confident	66.5 Å²	66.5	89 Å²	89	69%	0.686	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	18.8	-173.5	0	0	0	0	0	114	D2675 V2676	D2675-G2679 CarbonylContact O-C 3.5Å; D2675-G2679 PolarHBondContact O-N 3.17Å; V2676-G2679 PolarHBondContact O-N 3.02Å
2680	H	85.6	Confident	80.9	Confident	142.5 Å²	142.5	91.6 Å²	91.6	66%	0.66	49%	0.494	S	S	*	.			trans	-95.2	-11.6	177.8	-64.6	170.9	0	0	0	113.6	D2675 A2678 D2682	D2675-H2680 HydrophobicContact CB-CB 4.33Å; D2675-H2680 PolarHBondContact O-N 3.07Å; A2678-H2680 VanDerWaalsContact C-N 3.34Å; H2680-D2682 PolarHBondContact O-N 3.02Å; H2680-D2682 VanDerWaalsContact O-N 3.08Å
2681	F	86.8	Confident	79.7	Confident	67 Å²	67	89.2 Å²	89.2	29%	0.294	49%	0.486	S	S	.	.			trans	-66.5	102.4	-178.9	-178	-105.4	0	0	0	112.9	V2672 D2675 V2676 V2683 Y2686	V2672-F2681 HydrophobicContact CG1-CD2 4.14Å; V2672-F2681 HydrophobicContact CG1-CE2 3.82Å; V2672-F2681 HydrophobicContact CG1-CZ 4.31Å; D2675-F2681 HydrophobicContact CB-CB 4.2Å; D2675-F2681 PolarHBondContact O-N 3.36Å; D2675-F2681 VanDerWaalsContact O-N 3.14Å; V2676-F2681 HydrophobicContact CB-CB 4.36Å; V2676-F2681 HydrophobicContact CG2-CB 3.6Å; V2676-F2681 HydrophobicContact CG2-CD1 3.73Å; V2676-F2681 HydrophobicContact CG2-CD2 4.03Å; V2676-F2681 HydrophobicContact CG2-CE1 4.35Å; V2676-F2681 HydrophobicContact CG2-CG 3.51Å; V2676-F2681 VanDerWaalsContact CG2-CG 3.48Å; F2681-V2683 HydrophobicContact CD1-CG2 4.08Å; F2681-V2683 HydrophobicContact CE1-CB 4.33Å; F2681-V2683 HydrophobicContact CE1-CG2 3.87Å; F2681-V2683 PolarHBondContact O-N 3.08Å; F2681-Y2686 HydrophobicContact CE2-CD1 4.32Å; F2681-Y2686 AromaticContact CE2-CD2 3.77Å; F2681-Y2686 HydrophobicContact CE2-CD2 3.77Å; F2681-Y2686 HydrophobicContact CE2-CE2 4.37Å; F2681-Y2686 AromaticContact CE2-CG 3.83Å; F2681-Y2686 HydrophobicContact CE2-CG 3.83Å; F2681-Y2686 AromaticContact CZ-CD1 3.97Å; F2681-Y2686 HydrophobicContact CZ-CD1 4.08Å; F2681-Y2686 AromaticContact CZ-CD2 3.88Å; F2681-Y2686 HydrophobicContact CZ-CD2 4.08Å; F2681-Y2686 AromaticContact CZ-CG 3.72Å; F2681-Y2686 HydrophobicContact CZ-CG 3.72Å
2682	D	85.2	Confident	78	Confident	76 Å²	76	88.6 Å²	88.6	41%	0.406	49%	0.492	S	S	.	.			trans	-83.7	108	169.7	175.7	27.1	0	0	0	111.7	H2680 Q2684 S2685 Y2686	H2680-D2682 PolarHBondContact O-N 3.02Å; H2680-D2682 VanDerWaalsContact O-N 3.08Å; D2682-Q2684 VanDerWaalsContact C-N 3.27Å; D2682-Q2684 PolarHBondContact O-N 3.31Å; D2682-Q2684 VanDerWaalsContact OD1-CB 3.32Å; D2682-Q2684 WeakPolarHBondContact OD1-CB 3.26Å; D2682-Q2684 PolarHBondContact OD1-N 3.03Å; D2682-S2685 PolarHBondContact O-N 3.19Å; D2682-S2685 WeakPolarHBondContact OD2-CB 3.27Å; D2682-S2685 PolarHBondContact OD2-N 3.14Å; D2682-S2685 PolarHBondContact OD2-OG 3.14Å; D2682-Y2686 WeakPolarHBondContact O-CB 3.34Å; D2682-Y2686 PolarHBondContact O-N 3.04Å
2683	V	81.4	Confident	76.3	Confident	75 Å²	75	92.7 Å²	92.7	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-55.7	-34.9	173.9	-176.9	0	0	0	0	112.1	F2681 Y2686 L2687	F2681-V2683 HydrophobicContact CD1-CG2 4.08Å; F2681-V2683 HydrophobicContact CE1-CB 4.33Å; F2681-V2683 HydrophobicContact CE1-CG2 3.87Å; F2681-V2683 PolarHBondContact O-N 3.08Å; V2683-Y2686 PolarHBondContact O-N 2.89Å; V2683-L2687 HydrophobicContact CG1-CD1 4.02Å; V2683-L2687 HydrophobicContact CG1-CG 4.37Å; V2683-L2687 WeakPolarHBondContact O-CB 3.4Å; V2683-L2687 VanDerWaalsContact O-CG 3.28Å; V2683-L2687 WeakPolarHBondContact O-CG 3.44Å; V2683-L2687 PolarHBondContact O-N 3.05Å
2684	Q	74.8	Confident	74.2	Confident	127.75 Å²	127.75	93.7 Å²	93.7	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-73.7	-44.8	-177.4	-114.6	-179	7	0	0	111.5	D2682 Y2686 L2687 K2688	D2682-Q2684 VanDerWaalsContact C-N 3.27Å; D2682-Q2684 PolarHBondContact O-N 3.31Å; D2682-Q2684 VanDerWaalsContact OD1-CB 3.32Å; D2682-Q2684 WeakPolarHBondContact OD1-CB 3.26Å; D2682-Q2684 PolarHBondContact OD1-N 3.03Å; Q2684-Y2686 VanDerWaalsContact C-N 3.35Å; Q2684-Y2686 PolarHBondContact O-N 3.48Å; Q2684-L2687 PolarHBondContact O-N 3.2Å; Q2684-K2688 VanDerWaalsContact O-CB 3.29Å; Q2684-K2688 WeakPolarHBondContact O-CB 3.33Å; Q2684-K2688 PolarHBondContact O-N 3.19Å
2685	S	77.2	Confident	72	Confident	61 Å²	61	96.2 Å²	96.2	43%	0.427	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-42.4	171.6	-84.8	0	0	0	0	112	D2682 L2687 K2688 N2689	D2682-S2685 PolarHBondContact O-N 3.19Å; D2682-S2685 WeakPolarHBondContact OD2-CB 3.27Å; D2682-S2685 PolarHBondContact OD2-N 3.14Å; D2682-S2685 PolarHBondContact OD2-OG 3.14Å; S2685-L2687 PolarHBondContact O-N 2.88Å; S2685-K2688 WeakPolarHBondContact O-CB 3.18Å; S2685-K2688 PolarHBondContact O-N 3.07Å; S2685-N2689 WeakPolarHBondContact O-CB 3.48Å; S2685-N2689 VanDerWaalsContact O-CG 3.22Å; S2685-N2689 PolarHBondContact O-N 3.01Å
2686	Y	79.6	Confident	69.5	Low	108.5 Å²	108.5	98.2 Å²	98.2	43%	0.425	55%	0.554	S	S	.	*	H	α-helix	trans	-61.2	-49.4	175.9	-174.3	-95.6	0	0	0	112.2	V2672 F2681 D2682 V2683 Q2684 K2688 N2689 W2690	V2672-Y2686 HydrophobicContact CG2-CE2 4.16Å; F2681-Y2686 HydrophobicContact CE2-CD1 4.32Å; F2681-Y2686 AromaticContact CE2-CD2 3.77Å; F2681-Y2686 HydrophobicContact CE2-CD2 3.77Å; F2681-Y2686 HydrophobicContact CE2-CE2 4.37Å; F2681-Y2686 AromaticContact CE2-CG 3.83Å; F2681-Y2686 HydrophobicContact CE2-CG 3.83Å; F2681-Y2686 AromaticContact CZ-CD1 3.97Å; F2681-Y2686 HydrophobicContact CZ-CD1 4.08Å; F2681-Y2686 AromaticContact CZ-CD2 3.88Å; F2681-Y2686 HydrophobicContact CZ-CD2 4.08Å; F2681-Y2686 AromaticContact CZ-CG 3.72Å; F2681-Y2686 HydrophobicContact CZ-CG 3.72Å; D2682-Y2686 WeakPolarHBondContact O-CB 3.34Å; D2682-Y2686 PolarHBondContact O-N 3.04Å; V2683-Y2686 PolarHBondContact O-N 2.89Å; Q2684-Y2686 VanDerWaalsContact C-N 3.35Å; Q2684-Y2686 PolarHBondContact O-N 3.48Å; Y2686-K2688 VanDerWaalsContact C-N 3.29Å; Y2686-K2688 PolarHBondContact O-N 3.02Å; Y2686-N2689 PolarHBondContact O-N 3.07Å; Y2686-W2690 VanDerWaalsContact O-CB 3.29Å; Y2686-W2690 WeakPolarHBondContact O-CB 3.28Å; Y2686-W2690 PolarHBondContact O-N 3Å
2687	L	76.7	Confident	66.8	Low	90.25 Å²	90.25	99.5 Å²	99.5	47%	0.473	57%	0.567	S	S	.	*	H	α-helix	trans	-62	-35.4	176.1	-84.5	152.4	0	0	0	112.6	V2683 Q2684 S2685 W2690 S2691	V2683-L2687 HydrophobicContact CG1-CD1 4.02Å; V2683-L2687 HydrophobicContact CG1-CG 4.37Å; V2683-L2687 WeakPolarHBondContact O-CB 3.4Å; V2683-L2687 VanDerWaalsContact O-CG 3.28Å; V2683-L2687 WeakPolarHBondContact O-CG 3.44Å; V2683-L2687 PolarHBondContact O-N 3.05Å; Q2684-L2687 PolarHBondContact O-N 3.2Å; S2685-L2687 PolarHBondContact O-N 2.88Å; L2687-W2690 HydrophobicContact CD2-CE3 4.32Å; L2687-W2690 PolarHBondContact O-N 3.08Å; L2687-S2691 VanDerWaalsContact O-CB 3.29Å; L2687-S2691 WeakPolarHBondContact O-CB 3.22Å; L2687-S2691 PolarHBondContact O-N 3.13Å; L2687-S2691 PolarHBondContact O-OG 2.89Å
2688	K	72.3	Confident	64.4	Low	146.75 Å²	146.75	100.6 Å²	100.6	64%	0.638	57%	0.572	S	S	*	*	H	α-helix	trans	-69.3	-45.7	178.1	-169	175.2	-177.6	-179.5	0	111.6	Q2684 S2685 Y2686 W2690 S2691 C2692	Q2684-K2688 VanDerWaalsContact O-CB 3.29Å; Q2684-K2688 WeakPolarHBondContact O-CB 3.33Å; Q2684-K2688 PolarHBondContact O-N 3.19Å; S2685-K2688 WeakPolarHBondContact O-CB 3.18Å; S2685-K2688 PolarHBondContact O-N 3.07Å; Y2686-K2688 VanDerWaalsContact C-N 3.29Å; Y2686-K2688 PolarHBondContact O-N 3.02Å; K2688-W2690 PolarHBondContact O-N 3.19Å; K2688-S2691 WeakPolarHBondContact CA-OG 3.37Å; K2688-S2691 PolarHBondContact O-N 3.19Å; K2688-S2691 PolarHBondContact O-OG 3.23Å; K2688-S2691 VanDerWaalsContact O-OG 3.13Å; K2688-C2692 WeakPolarHBondContact O-CB 3.31Å; K2688-C2692 PolarHBondContact O-N 3.21Å; K2688-C2692 VanDerWaalsContact O-N 3.13Å; K2688-C2692 PolarHBondContact O-SG 3.18Å; K2688-C2692 VanDerWaalsContact O-SG 3.38Å
2689	N	73.8	Confident	61.7	Low	89.25 Å²	89.25	103.8 Å²	103.8	48%	0.477	59%	0.586	S	S	.	*	H	α-helix	trans	-63.4	-41.7	173.9	-76.9	-0.8	0	0	0	111.5	S2685 Y2686 S2691 C2692 N2693	S2685-N2689 WeakPolarHBondContact O-CB 3.48Å; S2685-N2689 VanDerWaalsContact O-CG 3.22Å; S2685-N2689 PolarHBondContact O-N 3.01Å; Y2686-N2689 PolarHBondContact O-N 3.07Å; N2689-S2691 VanDerWaalsContact C-N 3.29Å; N2689-S2691 PolarHBondContact O-N 3.1Å; N2689-C2692 PolarHBondContact O-N 3.02Å; N2689-N2693 WeakPolarHBondContact O-CB 3.28Å; N2689-N2693 PolarHBondContact O-N 3.18Å; N2689-N2693 VanDerWaalsContact O-N 3.16Å
2690	W	63.4	Low	59.2	Low	164.25 Å²	164.25	107.1 Å²	107.1	62%	0.622	59%	0.593	S	S	*	*	H	α-helix	trans	-63	-40.9	176.7	-169.8	63.5	0	0	0	112.6	Y2686 L2687 K2688 C2692 N2693 T2694	Y2686-W2690 VanDerWaalsContact O-CB 3.29Å; Y2686-W2690 WeakPolarHBondContact O-CB 3.28Å; Y2686-W2690 PolarHBondContact O-N 3Å; L2687-W2690 HydrophobicContact CD2-CE3 4.32Å; L2687-W2690 PolarHBondContact O-N 3.08Å; K2688-W2690 PolarHBondContact O-N 3.19Å; W2690-C2692 VanDerWaalsContact C-N 3.29Å; W2690-C2692 PolarHBondContact O-N 3Å; W2690-N2693 PolarHBondContact O-N 3.14Å; W2690-T2694 WeakPolarHBondContact O-CG2 3.46Å; W2690-T2694 PolarHBondContact O-N 2.86Å; W2690-T2694 PolarHBondContact O-OG1 3.09Å
2691	S	55.4	Low	56.6	Low	64.75 Å²	64.75	106 Å²	106	45%	0.453	60%	0.596	S	S	.	*	H	α-helix	trans	-71.2	-24.3	175.6	-4.2	0	0	0	0	113.7	L2687 K2688 N2689 N2693 T2694 R3153	L2687-S2691 VanDerWaalsContact O-CB 3.29Å; L2687-S2691 WeakPolarHBondContact O-CB 3.22Å; L2687-S2691 PolarHBondContact O-N 3.13Å; L2687-S2691 PolarHBondContact O-OG 2.89Å; K2688-S2691 WeakPolarHBondContact CA-OG 3.37Å; K2688-S2691 PolarHBondContact O-N 3.19Å; K2688-S2691 PolarHBondContact O-OG 3.23Å; K2688-S2691 VanDerWaalsContact O-OG 3.13Å; N2689-S2691 VanDerWaalsContact C-N 3.29Å; N2689-S2691 PolarHBondContact O-N 3.1Å; S2691-N2693 VanDerWaalsContact C-N 3.33Å; S2691-N2693 PolarHBondContact O-N 3.39Å; S2691-T2694 PolarHBondContact O-OG1 3.16Å; S2691-T2694 VanDerWaalsContact O-OG1 3.12Å; S2691-R3153 PolarHBondContact OG-NH2 2.97Å
2692	C	45.2	Very low	53.9	Low	84.75 Å²	84.75	109.1 Å²	109.1	57%	0.573	62%	0.621	S	S	*	*	H	α-helix	trans	-79.7	-35.1	172.6	-70.8	0	0	0	0	112.9	K2688 N2689 W2690 T2694	K2688-C2692 WeakPolarHBondContact O-CB 3.31Å; K2688-C2692 PolarHBondContact O-N 3.21Å; K2688-C2692 VanDerWaalsContact O-N 3.13Å; K2688-C2692 PolarHBondContact O-SG 3.18Å; K2688-C2692 VanDerWaalsContact O-SG 3.38Å; N2689-C2692 PolarHBondContact O-N 3.02Å; W2690-C2692 VanDerWaalsContact C-N 3.29Å; W2690-C2692 PolarHBondContact O-N 3Å; C2692-T2694 VanDerWaalsContact C-N 3.26Å; C2692-T2694 PolarHBondContact O-N 3.13Å; C2692-T2694 VanDerWaalsContact O-N 3.11Å
2693	N	47.1	Very low	51.4	Low	121.75 Å²	121.75	112 Å²	112	65%	0.651	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-2.7	-176.2	-74.7	-6.9	0	0	0	114.5	N2689 W2690 S2691 V2695	N2689-N2693 WeakPolarHBondContact O-CB 3.28Å; N2689-N2693 PolarHBondContact O-N 3.18Å; N2689-N2693 VanDerWaalsContact O-N 3.16Å; W2690-N2693 PolarHBondContact O-N 3.14Å; S2691-N2693 VanDerWaalsContact C-N 3.33Å; S2691-N2693 PolarHBondContact O-N 3.39Å; N2693-V2695 VanDerWaalsContact C-N 3.31Å; N2693-V2695 PolarHBondContact O-N 2.9Å; N2693-V2695 VanDerWaalsContact O-N 3.12Å
2694	T	40.2	Very low	49	Very low	105.5 Å²	105.5	111.8 Å²	111.8	65%	0.647	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	3.1	179.7	31	0	0	0	0	114.7	W2690 S2691 C2692	W2690-T2694 WeakPolarHBondContact O-CG2 3.46Å; W2690-T2694 PolarHBondContact O-N 2.86Å; W2690-T2694 PolarHBondContact O-OG1 3.09Å; S2691-T2694 PolarHBondContact O-OG1 3.16Å; S2691-T2694 VanDerWaalsContact O-OG1 3.12Å; C2692-T2694 VanDerWaalsContact C-N 3.26Å; C2692-T2694 PolarHBondContact O-N 3.13Å; C2692-T2694 VanDerWaalsContact O-N 3.11Å
2695	V	37.3	Very low	46.9	Very low	121.75 Å²	121.75	112 Å²	112	74%	0.738	67%	0.665	S	S	*	*	S	Bend	trans	-123.4	70.7	179.6	-166.3	0	0	0	0	111.8	N2693	N2693-V2695 VanDerWaalsContact C-N 3.31Å; N2693-V2695 PolarHBondContact O-N 2.9Å; N2693-V2695 VanDerWaalsContact O-N 3.12Å
2696	S	33.5	Very low	44.7	Very low	108.75 Å²	108.75	115.2 Å²	115.2	76%	0.76	68%	0.682	S	S	*	*			trans	-165.1	94.8	175.1	-65.9	0	0	0	0	113.4
2697	S	31.5	Very low	42.3	Very low	109 Å²	109	117.3 Å²	117.3	76%	0.762	70%	0.699	S	S	*	*			trans	-76.9	134.5	169.4	-81.5	0	0	0	0	110.7	V2699	S2697-V2699 PolarHBondContact O-N 3.32Å
2698	P	34.4	Very low	40	Very low	123.5 Å²	123.5	118.3 Å²	118.3	80%	0.802	71%	0.713	S	S	*	*			trans	-74.7	104	-178.9	29.6	-34	0	0	0	111.3	T2700	P2698-T2700 PolarHBondContact O-N 2.97Å; P2698-T2700 VanDerWaalsContact O-N 3.14Å
2699	V	32.6	Very low	38	Very low	126 Å²	126	117.6 Å²	117.6	76%	0.764	72%	0.721	S	S	*	*			trans	-79.2	114.6	169	178.5	0	0	0	0	108.8	S2697 T2701	S2697-V2699 PolarHBondContact O-N 3.32Å; V2699-T2701 PolarHBondContact O-N 3.08Å; V2699-T2701 PolarHBondContact O-OG1 2.8Å
2700	T	28.7	Very low	36	Very low	134.75 Å²	134.75	118.6 Å²	118.6	83%	0.827	74%	0.736	S	S	*	*			trans	-77.8	111	174.4	-5.9	0	0	0	0	110.4	P2698	P2698-T2700 PolarHBondContact O-N 2.97Å; P2698-T2700 VanDerWaalsContact O-N 3.14Å
2701	T	31.9	Very low	34.3	Very low	119.25 Å²	119.25	118 Å²	118	73%	0.732	74%	0.744	S	S	*	*			trans	-109.5	123.4	176.8	-47.2	0	0	0	0	111.2	V2699 V2703	V2699-T2701 PolarHBondContact O-N 3.08Å; V2699-T2701 PolarHBondContact O-OG1 2.8Å; T2701-V2703 HydrophobicContact CG2-CG2 3.73Å; T2701-V2703 PolarHBondContact O-N 3Å
2702	T	30.6	Very low	33.2	Very low	132 Å²	132	122 Å²	122	81%	0.81	76%	0.759	S	S	*	*			trans	-86.4	142.4	172.9	-55.4	0	0	0	0	110.8	G2704	T2702-G2704 PolarHBondContact O-N 3.18Å
2703	V	31.7	Very low	32.6	Very low	138.25 Å²	138.25	125.7 Å²	125.7	84%	0.838	77%	0.768	S	S	*	*			trans	-1	123.6	175.2	-177.3	0	0	0	0	113.6	T2701	T2701-V2703 HydrophobicContact CG2-CG2 3.73Å; T2701-V2703 PolarHBondContact O-N 3Å
2704	G	31	Very low	31.8	Very low	71 Å²	71	125 Å²	125	73%	0.732	77%	0.773	S	S	*	*			trans	159.7	109.7	163.3	0	0	0	0	0	113.8	T2702 T2706	T2702-G2704 PolarHBondContact O-N 3.18Å; G2704-T2706 PolarHBondContact O-N 2.63Å
2705	T	30.4	Very low	31.4	Very low	131.5 Å²	131.5	125 Å²	125	81%	0.807	78%	0.777	S	S	*	*			trans	-95.1	130.7	169.5	31.5	0	0	0	0	111.8
2706	T	30.7	Very low	31	Very low	128.5 Å²	128.5	128.2 Å²	128.2	79%	0.788	78%	0.781	S	S	*	*			trans	177.8	126.6	134.9	-9.3	0	0	0	0	113.3	G2704	G2704-T2706 PolarHBondContact O-N 2.63Å
2707	I	29.7	Very low	30.7	Very low	151.75 Å²	151.75	130 Å²	130	78%	0.778	78%	0.781	S	S	*	*			trans	-83.8	137.3	147.2	-67	169.9	0	0	0	111.1	T2709	I2707-T2709 HydrophobicContact CG2-CG2 4.14Å
2708	S	29.2	Very low	30.6	Very low	110.5 Å²	110.5	129.9 Å²	129.9	77%	0.773	78%	0.78	S	S	*	*			trans	-156.5	133	145.7	-81.5	0	0	0	0	111
2709	T	28.9	Very low	30.4	Very low	132 Å²	132	129.6 Å²	129.6	81%	0.81	78%	0.775	S	S	*	*			trans	-80.1	134.6	173.2	47.7	0	0	0	0	113.2	I2707	I2707-T2709 HydrophobicContact CG2-CG2 4.14Å
2710	S	32.7	Very low	30.3	Very low	111.5 Å²	111.5	130.5 Å²	130.5	78%	0.78	78%	0.776	S	S	*	*			trans	-154.6	126.4	140.3	47.9	0	0	0	0	110.4
2711	N	28.2	Very low	30.4	Very low	151.5 Å²	151.5	131 Å²	131	81%	0.81	77%	0.774	S	S	*	*				-2.8	149.9	125.8	-97.1	-20.8	0	0	0	113
2712	I	31.9	Very low	30.6	Very low	147.5 Å²	147.5	130.9 Å²	130.9	76%	0.756	78%	0.775	S	S	*	*			trans	133.5	128.5	145.3	-75.4	157.8	0	0	0	112
2713	Q	31.7	Very low	30.6	Very low	162.75 Å²	162.75	131.1 Å²	131.1	76%	0.761	77%	0.771	S	S	*	*			cis	115.6	118.9	15.6	-160.2	172.6	-22.8	0	0	112.6
2714	S	30.4	Very low	30.9	Very low	108.5 Å²	108.5	130.1 Å²	130.1	76%	0.759	77%	0.767	S	S	*	*			trans	177.6	153.6	143	-93.4	0	0	0	0	113	K2716	S2714-K2716 PolarHBondContact O-N 2.78Å
2715	S	31.8	Very low	30.9	Very low	104.75 Å²	104.75	133.8 Å²	133.8	73%	0.733	77%	0.765	S	S	*	*				-129.7	136	61.8	-40.4	0	0	0	0	112.4	I2717	S2715-I2717 VanDerWaalsContact C-N 3.3Å; S2715-I2717 PolarHBondContact O-N 2.88Å
2716	K	28.7	Very low	31	Very low	189.5 Å²	189.5	135.6 Å²	135.6	82%	0.824	76%	0.764	S	S	*	*			cis	-171.4	117.5	6.7	-169	-174.6	177.4	-176.9	0	111.6	S2714 S2718	S2714-K2716 PolarHBondContact O-N 2.78Å; K2716-S2718 PolarHBondContact O-N 2.71Å
2717	I	28.8	Very low	30.9	Very low	145.75 Å²	145.75	133.8 Å²	133.8	75%	0.747	76%	0.756	S	S	*	*			trans	72.4	130.9	161.2	-55.7	175.8	0	0	0	113.8	S2715 V2719	S2715-I2717 VanDerWaalsContact C-N 3.3Å; S2715-I2717 PolarHBondContact O-N 2.88Å; I2717-V2719 HydrophobicContact CG2-CG2 4.33Å
2718	S	28.4	Very low	31	Very low	106.5 Å²	106.5	134 Å²	134	75%	0.745	76%	0.757	S	S	*	*			trans	-171.1	137.1	139.5	-171.2	0	0	0	0	110.9	K2716	K2716-S2718 PolarHBondContact O-N 2.71Å
2719	V	30.1	Very low	31.1	Very low	117 Å²	117	133.6 Å²	133.6	71%	0.709	76%	0.755	S	S	*	*			trans	142	114.8	142.5	171.7	0	0	0	0	113.5	I2717	I2717-V2719 HydrophobicContact CG2-CG2 4.33Å
2720	N	31.7	Very low	31	Very low	146 Å²	146	134.7 Å²	134.7	78%	0.781	76%	0.755	S	S	*	*			trans	68.6	129.3	152.7	-71	-16.2	0	0	0	117.2
2721	N	30.7	Very low	31.2	Very low	145.25 Å²	145.25	135.1 Å²	135.1	78%	0.777	76%	0.755	S	S	*	*			trans	2.1	155.8	138.2	-105.5	6	0	0	0	115.5
2722	P	34.8	Very low	31.2	Very low	116.25 Å²	116.25	132.7 Å²	132.7	76%	0.755	75%	0.75	S	S	*	*			cis	-140.6	-179.6	20.7	37.5	-17.4	0	0	0	116.9
2723	L	32	Very low	31.2	Very low	137.75 Å²	137.75	133.5 Å²	133.5	72%	0.721	75%	0.754	S	S	*	*			trans	-44.8	164.1	162.1	-114.8	68.2	0	0	0	115.7	H2725	L2723-H2725 HydrophobicContact CD2-CB 4.31Å; L2723-H2725 HydrophobicContact CG-CB 4.36Å
2724	P	37.6	Very low	31.1	Very low	116.25 Å²	116.25	133.2 Å²	133.2	76%	0.755	76%	0.757	S	S	*	*				-138.3	176.9	58	40.7	-25	0	0	0	115.9
2725	H	30.9	Very low	31.2	Very low	149 Å²	149	131.7 Å²	131.7	69%	0.69	75%	0.751	S	S	*	*			trans	43.6	136.8	158	-89.3	-109.9	0	0	0	116.3	L2723	L2723-H2725 HydrophobicContact CD2-CB 4.31Å; L2723-H2725 HydrophobicContact CG-CB 4.36Å
2726	E	31.5	Very low	31.2	Very low	169 Å²	169	134 Å²	134	79%	0.79	76%	0.755	S	S	*	*				-175.9	163.3	112.5	-105.2	-171	159.3	0	0	114.6
2727	S	28.8	Very low	31.3	Very low	90.5 Å²	90.5	132 Å²	132	63%	0.633	75%	0.752	S	S	*	*				174.8	174.6	-96.3	58.8	0	0	0	0	114.5
2728	I	32.8	Very low	31.6	Very low	155.75 Å²	155.75	130.5 Å²	130.5	80%	0.799	75%	0.752	S	S	*	*			trans	97.4	127.9	155.5	-62.9	166.4	0	0	0	113.9
2729	S	30.1	Very low	31.7	Very low	102.5 Å²	102.5	131.4 Å²	131.4	72%	0.717	75%	0.753	S	S	*	*			cis	141.9	138.1	35.4	88.1	0	0	0	0	116.2
2730	L	27.7	Very low	31.7	Very low	154.75 Å²	154.75	131.7 Å²	131.7	81%	0.81	76%	0.759	S	S	*	*			trans	-77.5	172.5	160.4	-67.2	103	0	0	0	112.8
2731	P	36.1	Very low	31.6	Very low	121 Å²	121	130.2 Å²	130.2	79%	0.786	76%	0.755	S	S	*	*				-123.6	168.1	61.1	40	-29.4	0	0	0	115.3
2732	S	27.8	Very low	31.7	Very low	99.5 Å²	99.5	129.2 Å²	129.2	70%	0.696	76%	0.756	S	S	*	*			trans	151.6	145.4	148.9	-129.9	0	0	0	0	116.1
2733	I	32.1	Very low	31.4	Very low	166 Å²	166	128.8 Å²	128.8	85%	0.851	75%	0.752	S	S	*	*			trans	148.2	128	169.8	-55.4	168.8	0	0	0	111.1
2734	L	29.6	Very low	31.2	Very low	156 Å²	156	129.8 Å²	129.8	82%	0.817	76%	0.757	S	S	*	*			cis	149.9	152	22.2	-165	63.1	0	0	0	112
2735	A	32.6	Very low	30.7	Very low	77.5 Å²	77.5	129.2 Å²	129.2	64%	0.64	75%	0.751	S	S	*	*			trans	97.1	154.2	156.6	0	0	0	0	0	115.7
2736	N	31.5	Very low	30.5	Very low	153.25 Å²	153.25	129.1 Å²	129.1	82%	0.82	75%	0.754	S	S	*	*			cis	-161.8	153.2	13.9	-90.6	-21.9	0	0	0	114.9
2737	I	31.5	Very low	30.3	Very low	145.75 Å²	145.75	127 Å²	127	75%	0.747	75%	0.752	S	S	*	*			trans	-130.2	151	171	-66.7	166.7	0	0	0	110	T2739	I2737-T2739 HydrophobicContact CG2-CG2 4.06Å
2738	P	36.1	Very low	30.3	Very low	115.5 Å²	115.5	128.1 Å²	128.1	75%	0.75	76%	0.756	S	S	*	*				-122.5	149.4	72.7	20.4	-1.8	0	0	0	114.7	C2740	P2738-C2740 PolarHBondContact O-N 3.47Å
2739	T	30.5	Very low	30.1	Very low	124.25 Å²	124.25	124.9 Å²	124.9	76%	0.762	75%	0.753	S	S	*	*			trans	-51.6	138.6	167.3	54.5	0	0	0	0	116.1	I2737	I2737-T2739 HydrophobicContact CG2-CG2 4.06Å
2740	C	28.8	Very low	29.9	Very low	123.75 Å²	123.75	126 Å²	126	84%	0.836	76%	0.755	S	S	*	*				-145.8	131.2	125.7	-104.2	0	0	0	0	112.8	P2738	P2738-C2740 PolarHBondContact O-N 3.47Å
2741	T	30.1	Very low	30	Very low	115.5 Å²	115.5	125.7 Å²	125.7	71%	0.709	75%	0.753	S	S	*	*			trans	-58.2	147	166.6	29.5	0	0	0	0	113.9	T2743	T2741-T2743 PolarHBondContact O-N 2.82Å
2742	P	32.5	Very low	29.7	Very low	122.5 Å²	122.5	125 Å²	125	80%	0.795	75%	0.746	S	S	*	*				-108.6	142.9	125.8	36.1	-30	0	0	0	113.5	I2744	P2742-I2744 PolarHBondContact O-N 2.83Å
2743	T	28.3	Very low	29.7	Very low	109.75 Å²	109.75	125.6 Å²	125.6	67%	0.673	75%	0.746	S	S	*	*			trans	-141.8	124.7	167.5	-59.6	0	0	0	0	112	T2741 T2745	T2741-T2743 PolarHBondContact O-N 2.82Å; T2743-T2745 PolarHBondContact O-N 2.9Å; T2743-T2745 VanDerWaalsContact O-N 3.12Å; T2743-T2745 PolarHBondContact O-OG1 3.48Å
2744	I	28	Very low	29.6	Very low	158.5 Å²	158.5	122.8 Å²	122.8	81%	0.813	74%	0.736	S	S	*	*			trans	-91.9	107.3	170.6	-59.2	174	0	0	0	107.6	P2742 I2746	P2742-I2744 PolarHBondContact O-N 2.83Å; I2744-I2746 HydrophobicContact CG2-CG1 3.95Å; I2744-I2746 PolarHBondContact O-N 3.15Å; I2744-I2746 VanDerWaalsContact O-N 3.09Å
2745	T	28	Very low	29.6	Very low	103.75 Å²	103.75	123.7 Å²	123.7	64%	0.637	73%	0.734	S	S	*	*			trans	-103.8	105.8	147.8	-55.4	0	0	0	0	108.7	T2743 T2747	T2743-T2745 PolarHBondContact O-N 2.9Å; T2743-T2745 VanDerWaalsContact O-N 3.12Å; T2743-T2745 PolarHBondContact O-OG1 3.48Å; T2745-T2747 WeakPolarHBondContact CG2-OG1 3.43Å; T2745-T2747 PolarHBondContact O-N 2.9Å; T2745-T2747 PolarHBondContact O-OG1 2.84Å
2746	I	26.7	Very low	29.5	Very low	146.25 Å²	146.25	125.9 Å²	125.9	75%	0.75	74%	0.742	S	S	*	*			trans	-58.9	105.5	152.3	-58	171.9	0	0	0	108.4	I2744 T2748	I2744-I2746 HydrophobicContact CG2-CG1 3.95Å; I2744-I2746 PolarHBondContact O-N 3.15Å; I2744-I2746 VanDerWaalsContact O-N 3.09Å; I2746-T2748 VanDerWaalsContact C-N 3.33Å; I2746-T2748 HydrophobicContact CG2-CG2 4.29Å; I2746-T2748 PolarHBondContact O-N 2.96Å
2747	T	27.7	Very low	29.5	Very low	123.75 Å²	123.75	124 Å²	124	76%	0.759	74%	0.736	S	S	*	*			trans	-110.2	106.7	163.6	-60.7	0	0	0	0	108	T2745 A2749	T2745-T2747 WeakPolarHBondContact CG2-OG1 3.43Å; T2745-T2747 PolarHBondContact O-N 2.9Å; T2745-T2747 PolarHBondContact O-OG1 2.84Å; T2747-A2749 PolarHBondContact O-N 2.9Å; T2747-A2749 VanDerWaalsContact O-N 3.11Å
2748	T	27.7	Very low	29.4	Very low	115.5 Å²	115.5	124.6 Å²	124.6	71%	0.709	74%	0.739	S	S	*	*			trans	-72.1	114.6	171.9	-1.5	0	0	0	0	109.4	I2746 T2750	I2746-T2748 VanDerWaalsContact C-N 3.33Å; I2746-T2748 HydrophobicContact CG2-CG2 4.29Å; I2746-T2748 PolarHBondContact O-N 2.96Å; T2748-T2750 VanDerWaalsContact C-N 3.32Å; T2748-T2750 PolarHBondContact O-N 3.05Å; T2748-T2750 PolarHBondContact O-OG1 3.06Å
2749	A	28.8	Very low	29	Very low	88.5 Å²	88.5	123.7 Å²	123.7	73%	0.731	74%	0.735	S	S	*	*			trans	-102	101.9	167.2	0	0	0	0	0	108.8	T2747 I2751	T2747-A2749 PolarHBondContact O-N 2.9Å; T2747-A2749 VanDerWaalsContact O-N 3.11Å; A2749-I2751 PolarHBondContact O-N 3.04Å
2750	T	26.6	Very low	28.9	Very low	124.25 Å²	124.25	124.8 Å²	124.8	76%	0.762	74%	0.735	S	S	*	*			trans	-84.5	108	175.6	-35.2	0	0	0	0	108.7	T2748 T2752	T2748-T2750 VanDerWaalsContact C-N 3.32Å; T2748-T2750 PolarHBondContact O-N 3.05Å; T2748-T2750 PolarHBondContact O-OG1 3.06Å; T2750-T2752 PolarHBondContact O-N 3.25Å; T2750-T2752 PolarHBondContact O-OG1 3.2Å
2751	I	29.5	Very low	28.9	Very low	149.75 Å²	149.75	123.1 Å²	123.1	77%	0.768	73%	0.73	S	S	*	*			trans	-106.6	122.9	169.1	-59.7	-178.1	0	0	0	108.3	A2749 T2753	A2749-I2751 PolarHBondContact O-N 3.04Å; I2751-T2753 HydrophobicContact CG2-CG2 3.86Å; I2751-T2753 PolarHBondContact O-N 2.76Å
2752	T	28.3	Very low	29	Very low	104.5 Å²	104.5	123.4 Å²	123.4	64%	0.641	73%	0.732	S	S	*	*			trans	-60	119	-179	-22.6	0	0	0	0	113	T2750 T2754	T2750-T2752 PolarHBondContact O-N 3.25Å; T2750-T2752 PolarHBondContact O-OG1 3.2Å; T2752-T2754 HydrophobicContact CG2-CG2 4.21Å; T2752-T2754 PolarHBondContact O-N 3.19Å
2753	T	29.4	Very low	28.9	Very low	112.25 Å²	112.25	124.4 Å²	124.4	69%	0.689	73%	0.731	S	S	*	*			trans	-92.3	96.4	156	37.7	0	0	0	0	109.9	I2751 F2755	I2751-T2753 HydrophobicContact CG2-CG2 3.86Å; I2751-T2753 PolarHBondContact O-N 2.76Å; T2753-F2755 WeakPolarHBondContact O-CD2 3.42Å; T2753-F2755 PolarHBondContact O-N 2.85Å; T2753-F2755 WeakPolarHBondContact OG1-CE2 3.38Å
2754	T	29.5	Very low	29.2	Very low	107 Å²	107	124.4 Å²	124.4	66%	0.656	73%	0.733	S	S	*	*			trans	-71.2	109.1	155.9	35.4	0	0	0	0	112.8	T2752 P2756	T2752-T2754 HydrophobicContact CG2-CG2 4.21Å; T2752-T2754 PolarHBondContact O-N 3.19Å; T2754-P2756 WeakPolarHBondContact O-CD 3.49Å
2755	F	30	Very low	29.4	Very low	175.25 Å²	175.25	121.9 Å²	121.9	77%	0.769	73%	0.729	S	S	*	*			trans	-82	143.8	156.1	-74	-91.1	0	0	0	108.9	T2753 T2757	T2753-F2755 WeakPolarHBondContact O-CD2 3.42Å; T2753-F2755 PolarHBondContact O-N 2.85Å; T2753-F2755 WeakPolarHBondContact OG1-CE2 3.38Å; F2755-T2757 PolarHBondContact O-N 2.84Å; F2755-T2757 PolarHBondContact O-OG1 2.88Å
2756	P	30.9	Very low	29.4	Very low	124.75 Å²	124.75	122.7 Å²	122.7	81%	0.81	73%	0.734	S	S	*	*			trans	-69.9	103.7	169.8	29.9	-33.5	0	0	0	109.5	T2754 I2758	T2754-P2756 WeakPolarHBondContact O-CD 3.49Å; P2756-I2758 HydrophobicContact CB-CD1 4.18Å; P2756-I2758 HydrophobicContact CB-CG1 4.17Å; P2756-I2758 PolarHBondContact O-N 3.27Å
2757	T	30.2	Very low	29.6	Very low	112.5 Å²	112.5	124 Å²	124	69%	0.69	74%	0.737	S	S	*	*			trans	-99.7	109.7	176.4	-58.2	0	0	0	0	109.4	F2755 S2759	F2755-T2757 PolarHBondContact O-N 2.84Å; F2755-T2757 PolarHBondContact O-OG1 2.88Å; T2757-S2759 WeakPolarHBondContact CG2-OG 3.04Å; T2757-S2759 PolarHBondContact O-N 2.91Å; T2757-S2759 VanDerWaalsContact O-N 3.15Å; T2757-S2759 PolarHBondContact O-OG 3.4Å
2758	I	29.6	Very low	29.6	Very low	158.5 Å²	158.5	123.9 Å²	123.9	81%	0.813	74%	0.736	S	S	*	*			trans	-84.3	106.1	168.8	-65.1	175	0	0	0	107.9	P2756 I2760	P2756-I2758 HydrophobicContact CB-CD1 4.18Å; P2756-I2758 HydrophobicContact CB-CG1 4.17Å; P2756-I2758 PolarHBondContact O-N 3.27Å; I2758-I2760 HydrophobicContact CG2-CD1 3.42Å; I2758-I2760 VanDerWaalsContact CG2-CD1 3.42Å; I2758-I2760 HydrophobicContact CG2-CG1 3.56Å; I2758-I2760 PolarHBondContact O-N 2.81Å
2759	S	27.4	Very low	29.8	Very low	96 Å²	96	124.9 Å²	124.9	67%	0.671	74%	0.741	S	S	*	*			trans	-95.8	119	173.4	-59.5	0	0	0	0	110.2	T2757 A2761	T2757-S2759 WeakPolarHBondContact CG2-OG 3.04Å; T2757-S2759 PolarHBondContact O-N 2.91Å; T2757-S2759 VanDerWaalsContact O-N 3.15Å; T2757-S2759 PolarHBondContact O-OG 3.4Å; S2759-A2761 PolarHBondContact O-N 3.22Å
2760	I	28.9	Very low	29.8	Very low	147.25 Å²	147.25	127.3 Å²	127.3	76%	0.755	74%	0.742	S	S	*	*			trans	-106.7	118.7	135.8	-79.4	165	0	0	0	109.1	I2758 T2762	I2758-I2760 HydrophobicContact CG2-CD1 3.42Å; I2758-I2760 VanDerWaalsContact CG2-CD1 3.42Å; I2758-I2760 HydrophobicContact CG2-CG1 3.56Å; I2758-I2760 PolarHBondContact O-N 2.81Å; I2760-T2762 HydrophobicContact CG2-CG2 3.85Å; I2760-T2762 PolarHBondContact O-N 3.47Å
2761	A	29.4	Very low	29.9	Very low	88.5 Å²	88.5	126.6 Å²	126.6	73%	0.731	74%	0.742	S	S	*	*			trans	-104.9	138.5	147.6	0	0	0	0	0	109.8	S2759 N2763	S2759-A2761 PolarHBondContact O-N 3.22Å; A2761-N2763 PolarHBondContact O-N 2.95Å
2762	T	31.1	Very low	29.9	Very low	122.25 Å²	122.25	125.5 Å²	125.5	75%	0.75	74%	0.743	S	S	*	*			trans	-110	113.5	176.5	30.9	0	0	0	0	112.2	I2760	I2760-T2762 HydrophobicContact CG2-CG2 3.85Å; I2760-T2762 PolarHBondContact O-N 3.47Å
2763	N	30.1	Very low	29.9	Very low	143.25 Å²	143.25	127.8 Å²	127.8	77%	0.766	75%	0.75	S	S	*	*			trans	-141.3	150.3	146.6	-108.5	-33.9	0	0	0	113	A2761 S2765 V3002	A2761-N2763 PolarHBondContact O-N 2.95Å; N2763-S2765 PolarHBondContact O-N 2.91Å; N2763-V3002 HydrophobicContact CB-CG1 4.05Å; N2763-V3002 HydrophobicContact CB-CG2 4.36Å; N2763-V3002 WeakPolarHBondContact OD1-CG1 3.39Å; N2763-V3002 WeakPolarHBondContact OD1-CG2 3.36Å
2764	P	35.6	Very low	29.8	Very low	110.75 Å²	110.75	128.7 Å²	128.7	72%	0.719	75%	0.754	S	S	*	*			trans	-114.7	164.8	-156.6	39.2	-29.3	0	0	0	114.6
2765	S	31.4	Very low	29.7	Very low	105.75 Å²	105.75	129.6 Å²	129.6	74%	0.74	76%	0.76	S	S	*	*			trans	144.3	129	162.8	62	0	0	0	0	113.7	N2763	N2763-S2765 PolarHBondContact O-N 2.91Å
2766	V	29.4	Very low	29.5	Very low	120.25 Å²	120.25	128.5 Å²	128.5	73%	0.729	76%	0.762	S	S	*	*				150.7	136.4	56	163.7	0	0	0	0	113.3
2767	Q	30.5	Very low	29.5	Very low	174 Å²	174	130 Å²	130	81%	0.813	76%	0.762	S	S	*	*			trans	129	136.7	135	-97.6	164.4	45.8	0	0	116.6
2768	T	27.2	Very low	29.3	Very low	120.5 Å²	120.5	128.9 Å²	128.9	74%	0.739	76%	0.759	S	S	*	*				47.5	129.6	126.5	-41.1	0	0	0	0	115.1
2769	V	31.8	Very low	29.3	Very low	136.25 Å²	136.25	128.5 Å²	128.5	83%	0.826	76%	0.758	S	S	*	*				-148.5	149.3	95.9	-167.7	0	0	0	0	111.2
2770	N	28.8	Very low	29.3	Very low	139.25 Å²	139.25	130 Å²	130	75%	0.745	76%	0.764	S	S	*	*			trans	-70.7	142.2	175.1	-67.6	-23.1	0	0	0	116.6
2771	S	28.6	Very low	29.3	Very low	109.75 Å²	109.75	131.3 Å²	131.3	77%	0.767	77%	0.766	S	S	*	*				66	144.4	125	-57.4	0	0	0	0	117.3
2772	T	29.1	Very low	29.2	Very low	126.25 Å²	126.25	132.9 Å²	132.9	78%	0.775	77%	0.768	S	S	*	*				-176.8	147.7	116.5	-40.6	0	0	0	0	114.6
2773	I	29.1	Very low	28.9	Very low	154.5 Å²	154.5	130.5 Å²	130.5	79%	0.792	77%	0.766	S	S	*	*			trans	93.2	135.3	147.1	-58.3	172.8	0	0	0	116.5
2774	V	26.6	Very low	28.9	Very low	130 Å²	130	130.4 Å²	130.4	79%	0.788	76%	0.764	S	S	*	*			trans	-139.4	132.1	162.1	170.3	0	0	0	0	112
2775	T	28.4	Very low	28.5	Very low	125.5 Å²	125.5	129.8 Å²	129.8	77%	0.77	76%	0.761	S	S	*	*			trans	-161.4	134.8	153.8	-19.8	0	0	0	0	115.2
2776	N	26	Very low	28.5	Very low	152.5 Å²	152.5	133.9 Å²	133.9	82%	0.816	77%	0.765	S	S	*	*			trans	-24.1	127.5	166.6	-146.9	4.4	0	0	0	115.1
2777	I	29.4	Very low	28.4	Very low	156.25 Å²	156.25	132.8 Å²	132.8	80%	0.801	76%	0.763	S	S	*	*			trans	-156.9	126	168.6	-54.1	177.3	0	0	0	110.6
2778	S	27.4	Very low	28.3	Very low	89.25 Å²	89.25	131.5 Å²	131.5	62%	0.624	76%	0.761	S	S	*	*			trans	-95.3	169.9	-178.4	53.8	0	0	0	0	116.5
2779	N	28.7	Very low	28.3	Very low	149.75 Å²	149.75	130.8 Å²	130.8	80%	0.801	76%	0.759	S	S	*	*			trans	70.6	110.1	144.6	-67.7	2.2	0	0	0	117.2
2780	T	28	Very low	28.2	Very low	129 Å²	129	131.7 Å²	131.7	79%	0.791	76%	0.757	S	S	*	*			trans	104.7	130.8	153	44.3	0	0	0	0	115.4
2781	Q	28.1	Very low	28.1	Very low	173.25 Å²	173.25	131 Å²	131	81%	0.81	76%	0.758	S	S	*	*			trans	-168.7	121.3	131.8	-155.7	157.5	-15.4	0	0	115.3
2782	T	27	Very low	28.2	Very low	123.5 Å²	123.5	130.7 Å²	130.7	76%	0.758	76%	0.756	S	S	*	*			trans	46.7	125.8	154.5	53	0	0	0	0	118.7
2783	G	25.6	Very low	28.5	Very low	70.25 Å²	70.25	131.9 Å²	131.9	72%	0.724	75%	0.753	S	S	*	*			trans	148.7	116.6	153.4	0	0	0	0	0	117.4
2784	I	29.2	Very low	28.7	Very low	141.25 Å²	141.25	130 Å²	130	72%	0.724	75%	0.75	S	S	*	*			trans	45.9	125.2	164.5	-37.8	175.1	0	0	0	116.1	F2786	I2784-F2786 HydrophobicContact CG2-CD2 4.29Å; I2784-F2786 HydrophobicContact CG2-CE2 4.26Å; I2784-F2786 PolarHBondContact O-N 3.13Å
2785	P	28.5	Very low	29.2	Very low	98.5 Å²	98.5	129.8 Å²	129.8	64%	0.64	74%	0.744	S	S	*	*			trans	-95.1	130.1	-172.3	35	-28.6	0	0	0	113	S2787	P2785-S2787 PolarHBondContact O-N 3.17Å
2786	F	30.2	Very low	29.5	Very low	191.25 Å²	191.25	127.6 Å²	127.6	84%	0.839	73%	0.73	S	S	*	*			trans	-75.4	117.6	169.5	-92.3	-95.3	0	0	0	111.2	I2784 L2788	I2784-F2786 HydrophobicContact CG2-CD2 4.29Å; I2784-F2786 HydrophobicContact CG2-CE2 4.26Å; I2784-F2786 PolarHBondContact O-N 3.13Å; F2786-L2788 VanDerWaalsContact C-N 3.26Å; F2786-L2788 PolarHBondContact O-N 3.18Å
2787	S	27.5	Very low	30.3	Very low	97 Å²	97	121.9 Å²	121.9	68%	0.678	70%	0.704	S	S	*	*			trans	-85	107.8	174.4	-62.8	0	0	0	0	111	P2785	P2785-S2787 PolarHBondContact O-N 3.17Å
2788	L	29.5	Very low	30.9	Very low	146.75 Å²	146.75	117.6 Å²	117.6	77%	0.768	69%	0.692	S	S	*	*			trans	-78	141	159.3	-74.7	169.7	0	0	0	111.7	F2786 I2790	F2786-L2788 VanDerWaalsContact C-N 3.26Å; F2786-L2788 PolarHBondContact O-N 3.18Å; L2788-I2790 PolarHBondContact O-N 3.44Å; L2788-I2790 VanDerWaalsContact O-N 3.12Å
2789	P	27.2	Very low	31.8	Very low	107 Å²	107	114.9 Å²	114.9	70%	0.695	67%	0.671	S	S	*	*			trans	-93.1	120.6	173.6	23.3	-16	0	0	0	112.9	T2791	P2789-T2791 VanDerWaalsContact C-N 3.28Å; P2789-T2791 HydrophobicContact CB-CG2 4.47Å; P2789-T2791 PolarHBondContact O-N 3.01Å
2790	I	28.4	Very low	32.7	Very low	154.5 Å²	154.5	111.7 Å²	111.7	79%	0.792	66%	0.657	S	S	*	*			trans	-66.1	102.5	166.1	-44.1	172.1	0	0	0	110	L2788 S2792	L2788-I2790 PolarHBondContact O-N 3.44Å; L2788-I2790 VanDerWaalsContact O-N 3.12Å; I2790-S2792 PolarHBondContact O-N 3.24Å
2791	T	28.1	Very low	33.6	Very low	125.5 Å²	125.5	107.2 Å²	107.2	77%	0.77	63%	0.628	S	S	*	*			trans	-90.3	95.5	163.2	71.3	0	0	0	0	110	P2789 E2793	P2789-T2791 VanDerWaalsContact C-N 3.28Å; P2789-T2791 HydrophobicContact CB-CG2 4.47Å; P2789-T2791 PolarHBondContact O-N 3.01Å; T2791-E2793 VanDerWaalsContact C-N 3.27Å; T2791-E2793 PolarHBondContact O-N 3.43Å
2792	S	30.4	Very low	34.1	Very low	102 Å²	102	104.3 Å²	104.3	71%	0.713	62%	0.624	S	S	*	*			trans	-101.3	112.8	170	57.1	0	0	0	0	113.2	I2790	I2790-S2792 PolarHBondContact O-N 3.24Å
2793	E	34.6	Very low	34.9	Very low	153 Å²	153	101.5 Å²	101.5	72%	0.715	61%	0.607	S	S	*	*			trans	-77.5	141.6	163.6	-70.8	-169	118.6	0	0	111.1	T2791 I2795	T2791-E2793 VanDerWaalsContact C-N 3.27Å; T2791-E2793 PolarHBondContact O-N 3.43Å; E2793-I2795 VanDerWaalsContact C-N 3.25Å; E2793-I2795 PolarHBondContact O-N 3.23Å; E2793-I2795 VanDerWaalsContact O-N 3.13Å
2794	P	33.8	Very low	35.3	Very low	113 Å²	113	101.3 Å²	101.3	73%	0.734	61%	0.605	S	S	*	*			trans	-72	100.2	172.8	30	-33.1	0	0	0	109.8	V2796	P2794-V2796 VanDerWaalsContact C-N 3.32Å; P2794-V2796 VanDerWaalsContact O-CG2 3.25Å; P2794-V2796 WeakPolarHBondContact O-CG2 3.15Å; P2794-V2796 PolarHBondContact O-N 2.87Å
2795	I	36.1	Very low	35.5	Very low	127.5 Å²	127.5	104.1 Å²	104.1	65%	0.654	61%	0.612	S	S	*	*			trans	-66.7	103.5	169.4	-58.8	177	0	0	0	107.8	E2793 A2797 V2871	E2793-I2795 VanDerWaalsContact C-N 3.25Å; E2793-I2795 PolarHBondContact O-N 3.23Å; E2793-I2795 VanDerWaalsContact O-N 3.13Å; I2795-A2797 PolarHBondContact O-N 2.89Å; I2795-V2871 HydrophobicContact CB-CG2 4.12Å; I2795-V2871 HydrophobicContact CG2-CG2 3.73Å; I2795-V2871 VanDerWaalsContact O-CG2 3.24Å; I2795-V2871 WeakPolarHBondContact O-CG2 3.45Å; I2795-V2871 PolarHBondContact O-N 2.96Å
2796	V	36.4	Very low	35.7	Very low	78 Å²	78	105.5 Å²	105.5	47%	0.473	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.6	119.9	179.7	177.6	0	0	0	0	109.5	P2794 A2798 T2868 L2869	P2794-V2796 VanDerWaalsContact C-N 3.32Å; P2794-V2796 VanDerWaalsContact O-CG2 3.25Å; P2794-V2796 WeakPolarHBondContact O-CG2 3.15Å; P2794-V2796 PolarHBondContact O-N 2.87Å; V2796-A2798 PolarHBondContact O-N 2.84Å; V2796-T2868 HydrophobicContact CB-CG2 4.19Å; V2796-T2868 HydrophobicContact CG1-CG2 3.52Å; V2796-T2868 WeakPolarHBondContact CG1-OG1 3.48Å; V2796-T2868 HydrophobicContact CG2-CG2 4.02Å; V2796-L2869 WeakPolarHBondContact CG1-O 3.3Å
2797	A	41.7	Very low	35.7	Very low	32.75 Å²	32.75	101 Å²	101	27%	0.271	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	121.6	168.4	0	0	0	0	0	109.5	I2795 V2799 I2867 T2868 L2869 A2874	I2795-A2797 PolarHBondContact O-N 2.89Å; A2797-V2799 HydrophobicContact CB-CG2 4.4Å; A2797-I2867 VanDerWaalsContact O-O 3.04Å; A2797-T2868 CarbonylContact O-C 3.53Å; A2797-T2868 WeakPolarHBondContact O-CA 3.42Å; A2797-L2869 PolarHBondContact N-O 3.07Å; A2797-L2869 VanDerWaalsContact N-O 3.16Å; A2797-L2869 PolarHBondContact O-N 3.1Å; A2797-A2874 HydrophobicContact CB-CB 3.75Å
2798	A	42.9	Very low	35.8	Very low	66.5 Å²	66.5	104 Å²	104	55%	0.55	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	116.3	174	0	0	0	0	0	110.2	V2796 T2866 I2867	V2796-A2798 PolarHBondContact O-N 2.84Å; A2798-T2866 HydrophobicContact CB-CG2 3.97Å; A2798-I2867 WeakPolarHBondContact CA-O 3.46Å
2799	V	45.9	Very low	35.9	Very low	32.25 Å²	32.25	105.3 Å²	105.3	20%	0.195	63%	0.626	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.3	115.4	175.5	-172	0	0	0	0	109.3	E2249 A2797 I2801 T2866 I2867 L2869 A2874	E2249-V2799 HydrophobicContact CB-CB 4.49Å; E2249-V2799 HydrophobicContact CB-CG1 4.35Å; E2249-V2799 HydrophobicContact CG-CB 3.76Å; E2249-V2799 HydrophobicContact CG-CG1 3.53Å; E2249-V2799 WeakPolarHBondContact OE2-CG1 2.96Å; A2797-V2799 HydrophobicContact CB-CG2 4.4Å; V2799-I2801 HydrophobicContact CG1-CG1 4.39Å; V2799-T2866 WeakPolarHBondContact O-CA 3.31Å; V2799-I2867 HydrophobicContact CB-CD1 4.44Å; V2799-I2867 PolarHBondContact N-O 2.99Å; V2799-I2867 VanDerWaalsContact N-O 3.11Å; V2799-I2867 PolarHBondContact O-N 3.09Å; V2799-L2869 HydrophobicContact CG2-CD1 4.14Å; V2799-A2874 HydrophobicContact CG2-CB 4.36Å
2800	T	48.5	Very low	35.9	Very low	83.5 Å²	83.5	103.2 Å²	103.2	51%	0.512	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	125.4	178.8	-56.2	0	0	0	0	110.2	P2802 A2864 T2866	T2800-P2802 VanDerWaalsContact O-CD 3.32Å; T2800-P2802 WeakPolarHBondContact O-CD 3.38Å; T2800-A2864 HydrophobicContact CG2-CB 4.12Å; T2800-T2866 PolarHBondContact OG1-OG1 3.45Å
2801	I	45.2	Very low	36	Very low	34.3333 Å²	34.3333	105.4 Å²	105.4	18%	0.176	63%	0.628	C	S	.	*			trans	-102	114.5	178.7	-58.5	171.3	0	0	0	109.2	V2799 T2803 L2827 L2830 L2834 A2865 I2867	V2799-I2801 HydrophobicContact CG1-CG1 4.39Å; I2801-T2803 PolarHBondContact O-N 3.31Å; I2801-L2827 HydrophobicContact CG2-CD1 3.73Å; I2801-L2830 HydrophobicContact CD1-CD1 3.56Å; I2801-L2830 HydrophobicContact CD1-CD2 3.72Å; I2801-L2830 VanDerWaalsContact CD1-CD2 3.41Å; I2801-L2830 HydrophobicContact CD1-CG 4.11Å; I2801-L2834 HydrophobicContact CD1-CD1 4.49Å; I2801-A2865 PolarHBondContact N-O 3.31Å; I2801-A2865 PolarHBondContact O-N 2.79Å; I2801-A2865 VanDerWaalsContact O-N 3.08Å; I2801-I2867 HydrophobicContact CD1-CD1 4.02Å
2802	P	38.5	Very low	36.2	Very low	112.333 Å²	112.333	106.3 Å²	106.3	73%	0.729	63%	0.628	S	S	*	*			trans	-77	105.9	177.6	30.5	-33.5	0	0	0	110.9	T2800 G2804 I2862	T2800-P2802 VanDerWaalsContact O-CD 3.32Å; T2800-P2802 WeakPolarHBondContact O-CD 3.38Å; P2802-G2804 VanDerWaalsContact C-N 3.28Å; P2802-G2804 PolarHBondContact O-N 3.14Å; P2802-I2862 HydrophobicContact CB-CG2 4.49Å
2803	T	44.2	Very low	36.2	Very low	65.3333 Å²	65.3333	109.5 Å²	109.5	40%	0.401	64%	0.637	S	S	.	*			trans	-82.9	78.5	174	53.3	0	0	0	0	110.5	I2801 L2827 I2862 S2863 A2865	I2801-T2803 PolarHBondContact O-N 3.31Å; T2803-L2827 HydrophobicContact CG2-CD1 4.19Å; T2803-L2827 HydrophobicContact CG2-CD2 3.53Å; T2803-L2827 HydrophobicContact CG2-CG 4.42Å; T2803-I2862 PolarHBondContact OG1-O 2.71Å; T2803-S2863 PolarHBondContact N-O 3.39Å; T2803-S2863 VanDerWaalsContact OG1-CB 3.24Å; T2803-S2863 WeakPolarHBondContact OG1-CB 3.37Å; T2803-S2863 PolarHBondContact OG1-O 2.9Å; T2803-A2865 HydrophobicContact CG2-CB 4.45Å
2804	G	34.4	Very low	36.2	Very low	65 Å²	65	107.4 Å²	107.4	67%	0.67	64%	0.639	S	S	*	*			trans	-68.3	143.6	176.3	0	0	0	0	0	112.7	P2802 T2806	P2802-G2804 VanDerWaalsContact C-N 3.28Å; P2802-G2804 PolarHBondContact O-N 3.14Å; G2804-T2806 PolarHBondContact O-N 3.37Å
2805	K	34	Very low	36.2	Very low	200.667 Å²	200.667	107.7 Å²	107.7	87%	0.872	64%	0.644	S	S	*	*			trans	-60.6	133.9	174.3	-68.2	-175.9	178.5	-177.4	0	110.2	S2807	K2805-S2807 PolarHBondContact O-N 2.94Å
2806	T	33.3	Very low	35.9	Very low	128 Å²	128	108.5 Å²	108.5	79%	0.785	65%	0.649	S	S	*	*			trans	-60.8	104.8	172.9	47.4	0	0	0	0	110.4	G2804 N2808	G2804-T2806 PolarHBondContact O-N 3.37Å; T2806-N2808 PolarHBondContact O-N 3.42Å
2807	S	30.4	Very low	35.6	Very low	95.3333 Å²	95.3333	110.5 Å²	110.5	67%	0.667	66%	0.664	S	S	*	*			trans	-81.7	120.5	174.5	60.6	0	0	0	0	109.9	K2805 L2809	K2805-S2807 PolarHBondContact O-N 2.94Å; S2807-L2809 PolarHBondContact O-N 3.28Å; S2807-L2809 VanDerWaalsContact O-N 3.15Å
2808	N	29.4	Very low	35.1	Very low	161.667 Å²	161.667	116 Å²	116	87%	0.865	69%	0.687	S	S	*	*			trans	-37.1	89.6	171.2	-68.5	-30	0	0	0	113.1	T2806 G2810	T2806-N2808 PolarHBondContact O-N 3.42Å; N2808-G2810 PolarHBondContact O-N 3.12Å
2809	L	30	Very low	34.3	Very low	174 Å²	174	120 Å²	120	91%	0.911	70%	0.7	S	S	*	*			trans	-84.4	101.7	170.8	-156.4	76.3	0	0	0	108.9	S2807	S2807-L2809 PolarHBondContact O-N 3.28Å; S2807-L2809 VanDerWaalsContact O-N 3.15Å
2810	G	28.7	Very low	33.7	Very low	63 Å²	63	124.9 Å²	124.9	65%	0.649	72%	0.723	S	S	*	*			trans	173.9	91.4	-173.8	0	0	0	0	0	115.7	N2808	N2808-G2810 PolarHBondContact O-N 3.12Å
2811	K	29.3	Very low	32.9	Very low	200.667 Å²	200.667	123.5 Å²	123.5	87%	0.872	73%	0.725	S	S	*	*			trans	-116.9	100.3	163.7	-71.4	-172.3	177.8	-175.7	0	109.2
2812	N	32.8	Very low	32.8	Very low	143 Å²	143	125.6 Å²	125.6	77%	0.765	74%	0.74	S	S	*	*			trans	-133.7	135.7	148.7	-68.9	-12.8	0	0	0	109.1	S2814	N2812-S2814 PolarHBondContact O-N 3.13Å
2813	D	31.3	Very low	32.9	Very low	170.333 Å²	170.333	123 Å²	123	91%	0.911	73%	0.734	S	S	*	*			trans	-76	101.7	-164.7	-55.7	-82.9	0	0	0	113.9
2814	S	34.5	Very low	33.2	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	74%	0.739	S	S	*	*			trans	-149.3	141.8	157.7	57	0	0	0	0	110.3	N2812 N2816	N2812-S2814 PolarHBondContact O-N 3.13Å; S2814-N2816 PolarHBondContact O-N 3.26Å
2815	S	32.9	Very low	33.7	Very low	118 Å²	118	122.5 Å²	122.5	83%	0.825	73%	0.725	S	S	*	*	S	Bend	trans	-88.2	79.3	-163.3	56.4	0	0	0	0	114.1
2816	N	30.7	Very low	34.9	Very low	144.333 Å²	144.333	117.4 Å²	117.4	77%	0.772	71%	0.711	S	S	*	*			trans	-162.2	92.9	158.4	-120.4	-20	0	0	0	112.3	S2814 I2818	S2814-N2816 PolarHBondContact O-N 3.26Å; N2816-I2818 PolarHBondContact O-N 3.15Å
2817	P	30.3	Very low	36.3	Very low	121 Å²	121	113.3 Å²	113.3	79%	0.786	68%	0.684	S	S	*	*			trans	-79.5	94.7	179.7	31.7	-33.6	0	0	0	111.6	N2819	P2817-N2819 PolarHBondContact O-N 3.14Å; P2817-N2819 VanDerWaalsContact O-N 3.13Å
2818	I	29.5	Very low	37.7	Very low	148 Å²	148	112.9 Å²	112.9	76%	0.759	67%	0.674	S	S	*	*			trans	-72.9	101.6	163	-60.6	-179.8	0	0	0	107.4	N2816 I2820	N2816-I2818 PolarHBondContact O-N 3.15Å; I2818-I2820 HydrophobicContact CG2-CD1 4.35Å; I2818-I2820 HydrophobicContact CG2-CG1 4.18Å; I2818-I2820 PolarHBondContact O-N 3.21Å; I2818-I2820 VanDerWaalsContact O-N 3.16Å
2819	N	26.7	Very low	39.5	Very low	151 Å²	151	109.9 Å²	109.9	81%	0.807	66%	0.662	S	S	*	*			trans	-76.4	91	-175	-169.9	-2.2	0	0	0	110.7	P2817 G2821	P2817-N2819 PolarHBondContact O-N 3.14Å; P2817-N2819 VanDerWaalsContact O-N 3.13Å; N2819-G2821 PolarHBondContact O-N 3.24Å; N2819-G2821 WeakPolarHBondContact OD1-CA 3.28Å; N2819-G2821 PolarHBondContact OD1-N 3.08Å
2820	I	33.5	Very low	41.2	Very low	134.667 Å²	134.667	103.8 Å²	103.8	69%	0.691	63%	0.63	S	S	*	*			trans	-79.7	68.3	175.6	-53	-177.3	0	0	0	109.8	I2818 T2822	I2818-I2820 HydrophobicContact CG2-CD1 4.35Å; I2818-I2820 HydrophobicContact CG2-CG1 4.18Å; I2818-I2820 PolarHBondContact O-N 3.21Å; I2818-I2820 VanDerWaalsContact O-N 3.16Å; I2820-T2822 HydrophobicContact CG2-CG2 3.69Å; I2820-T2822 WeakPolarHBondContact CG2-OG1 3.37Å; I2820-T2822 PolarHBondContact O-N 3.15Å; I2820-T2822 VanDerWaalsContact O-N 3.08Å
2821	G	30.6	Very low	43.1	Very low	53.6667 Å²	53.6667	102.3 Å²	102.3	55%	0.553	61%	0.607	S	S	*	*			trans	-71.8	45.7	170.7	0	0	0	0	0	112.9	N2819 G2823	N2819-G2821 PolarHBondContact O-N 3.24Å; N2819-G2821 WeakPolarHBondContact OD1-CA 3.28Å; N2819-G2821 PolarHBondContact OD1-N 3.08Å; G2821-G2823 PolarHBondContact O-N 3.39Å
2822	T	43.3	Very low	45	Very low	78.6667 Å²	78.6667	95 Å²	95	48%	0.483	58%	0.584	S	S	.	*	H	α-helix	trans	-55.1	17	-171.9	53.1	0	0	0	0	115.1	I2820 S2824 A2825 V2826	I2820-T2822 HydrophobicContact CG2-CG2 3.69Å; I2820-T2822 WeakPolarHBondContact CG2-OG1 3.37Å; I2820-T2822 PolarHBondContact O-N 3.15Å; I2820-T2822 VanDerWaalsContact O-N 3.08Å; T2822-S2824 VanDerWaalsContact C-N 3.31Å; T2822-S2824 PolarHBondContact O-N 3.14Å; T2822-S2824 VanDerWaalsContact O-N 3.14Å; T2822-A2825 HydrophobicContact CG2-CB 4.15Å; T2822-A2825 CarbonylContact O-C 3.49Å; T2822-A2825 WeakPolarHBondContact O-CA 3.25Å; T2822-A2825 WeakPolarHBondContact O-CB 3.22Å; T2822-A2825 PolarHBondContact O-N 3Å; T2822-A2825 VanDerWaalsContact O-N 3.07Å; T2822-A2825 WeakPolarHBondContact OG1-CB 3.33Å; T2822-V2826 WeakPolarHBondContact O-CG2 3.47Å; T2822-V2826 PolarHBondContact O-N 2.93Å
2823	G	41.4	Very low	46.5	Very low	58.3333 Å²	58.3333	90.5 Å²	90.5	60%	0.601	57%	0.567	S	S	*	*	H	α-helix	trans	-52.3	-37.4	170.1	0	0	0	0	0	113.3	G2821 L2827	G2821-G2823 PolarHBondContact O-N 3.39Å; G2823-L2827 VanDerWaalsContact O-CB 3.31Å; G2823-L2827 WeakPolarHBondContact O-CB 3.37Å; G2823-L2827 PolarHBondContact O-N 3.16Å
2824	S	49.4	Very low	48.1	Very low	72.3333 Å²	72.3333	82.8 Å²	82.8	51%	0.506	53%	0.525	S	S	.	.	H	α-helix	trans	-69.2	-33.7	171.8	-175.8	0	0	0	0	113.7	T2822 L2827 N2828	T2822-S2824 VanDerWaalsContact C-N 3.31Å; T2822-S2824 PolarHBondContact O-N 3.14Å; T2822-S2824 VanDerWaalsContact O-N 3.14Å; S2824-L2827 PolarHBondContact O-N 2.93Å; S2824-N2828 VanDerWaalsContact O-CB 3.26Å; S2824-N2828 WeakPolarHBondContact O-CB 3.36Å; S2824-N2828 PolarHBondContact O-N 2.87Å; S2824-N2828 PolarHBondContact O-ND2 2.96Å; S2824-N2828 PolarHBondContact O-OD1 3.31Å
2825	A	46	Very low	49.7	Very low	47 Å²	47	83.5 Å²	83.5	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-73.7	-39.2	179.2	0	0	0	0	0	111.7	T2822 L2827 N2828 T2829	T2822-A2825 HydrophobicContact CG2-CB 4.15Å; T2822-A2825 CarbonylContact O-C 3.49Å; T2822-A2825 WeakPolarHBondContact O-CA 3.25Å; T2822-A2825 WeakPolarHBondContact O-CB 3.22Å; T2822-A2825 PolarHBondContact O-N 3Å; T2822-A2825 VanDerWaalsContact O-N 3.07Å; T2822-A2825 WeakPolarHBondContact OG1-CB 3.33Å; A2825-L2827 VanDerWaalsContact C-N 3.32Å; A2825-N2828 PolarHBondContact O-N 3.28Å; A2825-T2829 VanDerWaalsContact O-CB 3.29Å; A2825-T2829 WeakPolarHBondContact O-CB 3.32Å; A2825-T2829 PolarHBondContact O-N 3.05Å; A2825-T2829 PolarHBondContact O-OG1 3.21Å
2826	V	59.3	Low	51.5	Low	93.3333 Å²	93.3333	84.8 Å²	84.8	57%	0.566	51%	0.513	S	S	*	.	H	α-helix	trans	-62.8	-45.8	171.8	177.1	0	0	0	0	110.1	T2822 T2829 L2830	T2822-V2826 WeakPolarHBondContact O-CG2 3.47Å; T2822-V2826 PolarHBondContact O-N 2.93Å; V2826-T2829 PolarHBondContact O-N 3.23Å; V2826-L2830 VanDerWaalsContact O-CB 3.3Å; V2826-L2830 WeakPolarHBondContact O-CB 3.32Å; V2826-L2830 PolarHBondContact O-N 2.84Å
2827	L	62	Low	53.1	Low	41 Å²	41	79.7 Å²	79.7	22%	0.215	49%	0.486	C	S	.	.	H	α-helix	trans	-60.5	-47.5	176.1	-175.3	69.8	0	0	0	112.1	I2801 T2803 G2823 S2824 A2825 T2829 L2830 L2831 I2862	I2801-L2827 HydrophobicContact CG2-CD1 3.73Å; T2803-L2827 HydrophobicContact CG2-CD1 4.19Å; T2803-L2827 HydrophobicContact CG2-CD2 3.53Å; T2803-L2827 HydrophobicContact CG2-CG 4.42Å; G2823-L2827 VanDerWaalsContact O-CB 3.31Å; G2823-L2827 WeakPolarHBondContact O-CB 3.37Å; G2823-L2827 PolarHBondContact O-N 3.16Å; S2824-L2827 PolarHBondContact O-N 2.93Å; A2825-L2827 VanDerWaalsContact C-N 3.32Å; L2827-T2829 VanDerWaalsContact C-N 3.34Å; L2827-T2829 PolarHBondContact O-N 3.01Å; L2827-L2830 CarbonylContact O-C 3.57Å; L2827-L2830 PolarHBondContact O-N 3.38Å; L2827-L2831 HydrophobicContact CD1-CD1 4.18Å; L2827-L2831 HydrophobicContact CG-CD1 3.94Å; L2827-L2831 WeakPolarHBondContact O-CB 3.35Å; L2827-L2831 WeakPolarHBondContact O-CG 3.46Å; L2827-L2831 PolarHBondContact O-N 3.38Å; L2827-I2862 HydrophobicContact CD2-CB 4.36Å; L2827-I2862 HydrophobicContact CD2-CD1 3.69Å
2828	N	60.4	Low	54.3	Low	88.6667 Å²	88.6667	79.5 Å²	79.5	47%	0.474	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-38.3	179.8	-68.9	-9.3	0	0	0	112.1	S2824 A2825 L2830 L2831 A2832	S2824-N2828 VanDerWaalsContact O-CB 3.26Å; S2824-N2828 WeakPolarHBondContact O-CB 3.36Å; S2824-N2828 PolarHBondContact O-N 2.87Å; S2824-N2828 PolarHBondContact O-ND2 2.96Å; S2824-N2828 PolarHBondContact O-OD1 3.31Å; A2825-N2828 PolarHBondContact O-N 3.28Å; N2828-L2830 VanDerWaalsContact C-N 3.33Å; N2828-L2831 PolarHBondContact O-N 3.2Å; N2828-A2832 WeakPolarHBondContact O-CB 3.31Å; N2828-A2832 PolarHBondContact O-N 3.01Å
2829	T	68	Low	55.8	Low	98 Å²	98	75.6 Å²	75.6	60%	0.601	48%	0.481	S	S	*	.	H	α-helix	trans	-64.9	-41.2	174.8	-55.9	0	0	0	0	110.8	A2825 V2826 L2827 A2832 A2833	A2825-T2829 VanDerWaalsContact O-CB 3.29Å; A2825-T2829 WeakPolarHBondContact O-CB 3.32Å; A2825-T2829 PolarHBondContact O-N 3.05Å; A2825-T2829 PolarHBondContact O-OG1 3.21Å; V2826-T2829 PolarHBondContact O-N 3.23Å; L2827-T2829 VanDerWaalsContact C-N 3.34Å; L2827-T2829 PolarHBondContact O-N 3.01Å; T2829-A2832 PolarHBondContact O-N 3.14Å; T2829-A2833 VanDerWaalsContact O-CB 3.25Å; T2829-A2833 WeakPolarHBondContact O-CB 3.33Å; T2829-A2833 PolarHBondContact O-N 3.26Å
2830	L	64.3	Low	57.2	Low	45 Å²	45	69.5 Å²	69.5	24%	0.236	45%	0.45	C	S	.	.	H	α-helix	trans	-67.5	-42	176.1	-169.9	93.8	0	0	0	111.7	I2801 V2826 L2827 N2828 A2833 L2834 I2867 I2881	I2801-L2830 HydrophobicContact CD1-CD1 3.56Å; I2801-L2830 HydrophobicContact CD1-CD2 3.72Å; I2801-L2830 VanDerWaalsContact CD1-CD2 3.41Å; I2801-L2830 HydrophobicContact CD1-CG 4.11Å; V2826-L2830 VanDerWaalsContact O-CB 3.3Å; V2826-L2830 WeakPolarHBondContact O-CB 3.32Å; V2826-L2830 PolarHBondContact O-N 2.84Å; L2827-L2830 CarbonylContact O-C 3.57Å; L2827-L2830 PolarHBondContact O-N 3.38Å; N2828-L2830 VanDerWaalsContact C-N 3.33Å; L2830-A2833 PolarHBondContact O-N 3.04Å; L2830-L2834 HydrophobicContact CD1-CD1 4.21Å; L2830-L2834 HydrophobicContact CD1-CG 4.48Å; L2830-L2834 HydrophobicContact CD2-CD1 3.9Å; L2830-L2834 HydrophobicContact CG-CD1 4.06Å; L2830-L2834 WeakPolarHBondContact O-CB 3.33Å; L2830-L2834 WeakPolarHBondContact O-CD1 3.24Å; L2830-L2834 VanDerWaalsContact O-CG 3.24Å; L2830-L2834 WeakPolarHBondContact O-CG 3.41Å; L2830-L2834 PolarHBondContact O-N 3.3Å; L2830-I2867 HydrophobicContact CD2-CD1 4.33Å; L2830-I2881 HydrophobicContact CD1-CD1 4.01Å; L2830-I2881 HydrophobicContact CD1-CG1 4.08Å; L2830-I2881 HydrophobicContact CD2-CD1 4.25Å; L2830-I2881 HydrophobicContact CD2-CG1 4.31Å
2831	L	69.7	Low	58.3	Low	32 Å²	32	69.7 Å²	69.7	17%	0.168	45%	0.448	C	S	.	.	H	α-helix	trans	-61.4	-45.9	175.5	-121	99.7	0	0	0	111.2	L2827 N2828 L2834 Q2835 V2842 V2844 A2865 I2867	L2827-L2831 HydrophobicContact CD1-CD1 4.18Å; L2827-L2831 HydrophobicContact CG-CD1 3.94Å; L2827-L2831 WeakPolarHBondContact O-CB 3.35Å; L2827-L2831 WeakPolarHBondContact O-CG 3.46Å; L2827-L2831 PolarHBondContact O-N 3.38Å; N2828-L2831 PolarHBondContact O-N 3.2Å; L2831-L2834 PolarHBondContact O-N 2.98Å; L2831-Q2835 VanDerWaalsContact O-CB 3.27Å; L2831-Q2835 WeakPolarHBondContact O-CB 3.38Å; L2831-Q2835 VanDerWaalsContact O-CG 3.27Å; L2831-Q2835 WeakPolarHBondContact O-CG 3.25Å; L2831-Q2835 PolarHBondContact O-N 2.95Å; L2831-V2842 HydrophobicContact CD1-CG1 3.91Å; L2831-V2842 HydrophobicContact CD2-CG1 4.09Å; L2831-V2842 HydrophobicContact CG-CG1 4.17Å; L2831-V2844 HydrophobicContact CD1-CG2 4.25Å; L2831-A2865 HydrophobicContact CD1-CB 4.15Å; L2831-A2865 HydrophobicContact CD2-CB 4.11Å; L2831-I2867 HydrophobicContact CD1-CD1 3.92Å; L2831-I2867 HydrophobicContact CD2-CD1 3.71Å; L2831-I2867 HydrophobicContact CD2-CG1 4.13Å
2832	A	67.5	Low	59.4	Low	48.3333 Å²	48.3333	69 Å²	69	40%	0.399	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-44.1	175.2	0	0	0	0	0	112.1	N2828 T2829 L2834 Q2835 L2836	N2828-A2832 WeakPolarHBondContact O-CB 3.31Å; N2828-A2832 PolarHBondContact O-N 3.01Å; T2829-A2832 PolarHBondContact O-N 3.14Å; A2832-L2834 VanDerWaalsContact C-N 3.31Å; A2832-L2834 PolarHBondContact O-N 3.17Å; A2832-Q2835 PolarHBondContact O-N 3.23Å; A2832-L2836 VanDerWaalsContact O-CG 3.32Å; A2832-L2836 WeakPolarHBondContact O-CG 3.35Å; A2832-L2836 PolarHBondContact O-N 3.26Å; A2832-L2836 VanDerWaalsContact O-N 3.11Å
2833	A	65.4	Low	59.9	Low	47.6667 Å²	47.6667	68.9 Å²	68.9	39%	0.394	43%	0.432	S	S	.	.	H	α-helix	trans	-62.5	-33.4	177.1	0	0	0	0	0	113	T2829 L2830 I2837	T2829-A2833 VanDerWaalsContact O-CB 3.25Å; T2829-A2833 WeakPolarHBondContact O-CB 3.33Å; T2829-A2833 PolarHBondContact O-N 3.26Å; L2830-A2833 PolarHBondContact O-N 3.04Å; A2833-I2837 WeakPolarHBondContact O-CG1 3.48Å
2834	L	64.4	Low	60.2	Low	8.66667 Å²	8.66667	69.9 Å²	69.9	5%	0.045	43%	0.427	C	S	.	.	H	α-helix	trans	-81.3	-28.2	176.4	-66.2	170.3	0	0	0	112.7	I2801 L2830 L2831 A2832 L2836 I2837 S2840 V2842 I2867 L2869 A2877	I2801-L2834 HydrophobicContact CD1-CD1 4.49Å; L2830-L2834 HydrophobicContact CD1-CD1 4.21Å; L2830-L2834 HydrophobicContact CD1-CG 4.48Å; L2830-L2834 HydrophobicContact CD2-CD1 3.9Å; L2830-L2834 HydrophobicContact CG-CD1 4.06Å; L2830-L2834 WeakPolarHBondContact O-CB 3.33Å; L2830-L2834 WeakPolarHBondContact O-CD1 3.24Å; L2830-L2834 VanDerWaalsContact O-CG 3.24Å; L2830-L2834 WeakPolarHBondContact O-CG 3.41Å; L2830-L2834 PolarHBondContact O-N 3.3Å; L2831-L2834 PolarHBondContact O-N 2.98Å; A2832-L2834 VanDerWaalsContact C-N 3.31Å; A2832-L2834 PolarHBondContact O-N 3.17Å; L2834-L2836 VanDerWaalsContact C-N 3.3Å; L2834-L2836 PolarHBondContact O-N 3.17Å; L2834-I2837 HydrophobicContact CD2-CD1 4.15Å; L2834-I2837 WeakPolarHBondContact O-CB 3.4Å; L2834-I2837 PolarHBondContact O-N 2.94Å; L2834-I2837 VanDerWaalsContact O-N 3.13Å; L2834-S2840 VanDerWaalsContact O-CB 3.26Å; L2834-S2840 WeakPolarHBondContact O-CB 3.24Å; L2834-S2840 PolarHBondContact O-OG 3.36Å; L2834-V2842 HydrophobicContact CB-CG2 3.9Å; L2834-I2867 HydrophobicContact CB-CD1 3.97Å; L2834-I2867 HydrophobicContact CB-CG2 4.47Å; L2834-I2867 HydrophobicContact CD1-CD1 3.55Å; L2834-I2867 VanDerWaalsContact CD1-CD1 3.5Å; L2834-I2867 HydrophobicContact CD1-CG1 4.02Å; L2834-I2867 HydrophobicContact CD1-CG2 4.1Å; L2834-I2867 HydrophobicContact CD2-CG2 4.26Å; L2834-I2867 HydrophobicContact CG-CD1 4.42Å; L2834-L2869 HydrophobicContact CB-CD2 4.48Å; L2834-L2869 HydrophobicContact CD2-CD1 4.17Å; L2834-L2869 HydrophobicContact CD2-CD2 4.31Å; L2834-A2877 HydrophobicContact CD2-CB 3.64Å
2835	Q	67.9	Low	59.9	Low	123 Å²	123	70.4 Å²	70.4	58%	0.575	43%	0.427	S	S	*	.	H	α-helix	trans	-73.3	-21.9	173.4	-102.2	168.8	-6.5	0	0	113.1	L2831 A2832 I2837 V2842	L2831-Q2835 VanDerWaalsContact O-CB 3.27Å; L2831-Q2835 WeakPolarHBondContact O-CB 3.38Å; L2831-Q2835 VanDerWaalsContact O-CG 3.27Å; L2831-Q2835 WeakPolarHBondContact O-CG 3.25Å; L2831-Q2835 PolarHBondContact O-N 2.95Å; A2832-Q2835 PolarHBondContact O-N 3.23Å; Q2835-I2837 PolarHBondContact O-N 3.38Å; Q2835-V2842 HydrophobicContact CB-CG2 3.99Å; Q2835-V2842 HydrophobicContact CG-CG2 4.02Å
2836	L	70.2	Confident	59.5	Low	146 Å²	146	69.5 Å²	69.5	76%	0.764	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.6	173.3	-73.8	169.1	0	0	0	114	A2832 L2834 P2838	A2832-L2836 VanDerWaalsContact O-CG 3.32Å; A2832-L2836 WeakPolarHBondContact O-CG 3.35Å; A2832-L2836 PolarHBondContact O-N 3.26Å; A2832-L2836 VanDerWaalsContact O-N 3.11Å; L2834-L2836 VanDerWaalsContact C-N 3.3Å; L2834-L2836 PolarHBondContact O-N 3.17Å; L2836-P2838 WeakPolarHBondContact O-CD 3.23Å
2837	I	65.4	Low	58.4	Low	37 Å²	37	70.2 Å²	70.2	19%	0.19	43%	0.428	C	S	.	.	S	Bend	trans	-88.7	118.7	-179.4	-59.1	174.9	0	0	0	109.6	A2833 L2834 Q2835 G2839 S2840 L2869 A2873 A2877	A2833-I2837 WeakPolarHBondContact O-CG1 3.48Å; L2834-I2837 HydrophobicContact CD2-CD1 4.15Å; L2834-I2837 WeakPolarHBondContact O-CB 3.4Å; L2834-I2837 PolarHBondContact O-N 2.94Å; L2834-I2837 VanDerWaalsContact O-N 3.13Å; Q2835-I2837 PolarHBondContact O-N 3.38Å; I2837-G2839 PolarHBondContact O-N 2.94Å; I2837-S2840 WeakPolarHBondContact CB-OG 3.32Å; I2837-S2840 VanDerWaalsContact O-CB 3.26Å; I2837-S2840 WeakPolarHBondContact O-CB 3.37Å; I2837-S2840 PolarHBondContact O-N 3.06Å; I2837-S2840 VanDerWaalsContact O-N 3.07Å; I2837-S2840 PolarHBondContact O-OG 3.43Å; I2837-L2869 HydrophobicContact CB-CD2 4.41Å; I2837-L2869 HydrophobicContact CD1-CD2 4.31Å; I2837-L2869 HydrophobicContact CG2-CD2 4.14Å; I2837-A2873 HydrophobicContact CD1-CB 4.24Å; I2837-A2873 HydrophobicContact CG2-CB 3.58Å; I2837-A2873 VanDerWaalsContact CG2-CB 3.42Å; I2837-A2877 HydrophobicContact CD1-CB 3.73Å
2838	P	55.3	Low	57.2	Low	117.667 Å²	117.667	71.9 Å²	71.9	76%	0.764	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	134.6	-179.8	-26.5	35.6	0	0	0	113.1	L2836 S2840	L2836-P2838 WeakPolarHBondContact O-CD 3.23Å; P2838-S2840 VanDerWaalsContact C-N 3.33Å
2839	G	61.2	Low	56	Low	65.3333 Å²	65.3333	71.8 Å²	71.8	67%	0.674	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	1	-177.6	0	0	0	0	0	115.3	I2837	I2837-G2839 PolarHBondContact O-N 2.94Å
2840	S	56.6	Low	54.4	Low	23.6667 Å²	23.6667	71.7 Å²	71.7	17%	0.166	47%	0.469	C	S	.	.			trans	-75.7	134.7	177.1	-83.3	0	0	0	0	112.3	L2834 I2837 P2838 T2868 L2869	L2834-S2840 VanDerWaalsContact O-CB 3.26Å; L2834-S2840 WeakPolarHBondContact O-CB 3.24Å; L2834-S2840 PolarHBondContact O-OG 3.36Å; I2837-S2840 WeakPolarHBondContact CB-OG 3.32Å; I2837-S2840 VanDerWaalsContact O-CB 3.26Å; I2837-S2840 WeakPolarHBondContact O-CB 3.37Å; I2837-S2840 PolarHBondContact O-N 3.06Å; I2837-S2840 VanDerWaalsContact O-N 3.07Å; I2837-S2840 PolarHBondContact O-OG 3.43Å; P2838-S2840 VanDerWaalsContact C-N 3.33Å; S2840-T2868 VanDerWaalsContact CA-O 3.25Å; S2840-T2868 WeakPolarHBondContact CA-O 3.29Å; S2840-L2869 WeakPolarHBondContact OG-CD2 3.34Å
2841	Q	57.2	Low	52.9	Low	138 Å²	138	73.3 Å²	73.3	65%	0.645	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.3	169.1	-63	-169.3	23.4	0	0	110.3	T2843 I2867 T2868	Q2841-T2843 PolarHBondContact O-N 3.44Å; Q2841-T2843 VanDerWaalsContact O-N 3.1Å; Q2841-I2867 CarbonylContact O-C 3.53Å; Q2841-I2867 WeakPolarHBondContact O-CA 3.28Å; Q2841-T2868 PolarHBondContact N-O 2.93Å; Q2841-T2868 WeakPolarHBondContact O-CB 3.46Å; Q2841-T2868 PolarHBondContact O-N 2.98Å; Q2841-T2868 PolarHBondContact O-OG1 3.44Å
2842	V	52.4	Low	50.9	Low	39 Å²	39	76 Å²	76	24%	0.236	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.4	179.7	-179.5	0	0	0	0	109.7	L2831 L2834 Q2835 V2844 I2867	L2831-V2842 HydrophobicContact CD1-CG1 3.91Å; L2831-V2842 HydrophobicContact CD2-CG1 4.09Å; L2831-V2842 HydrophobicContact CG-CG1 4.17Å; L2834-V2842 HydrophobicContact CB-CG2 3.9Å; Q2835-V2842 HydrophobicContact CB-CG2 3.99Å; Q2835-V2842 HydrophobicContact CG-CG2 4.02Å; V2842-V2844 HydrophobicContact CG1-CG2 4.26Å; V2842-I2867 HydrophobicContact CG1-CG1 4.41Å; V2842-I2867 HydrophobicContact CG2-CD1 4.44Å; V2842-I2867 HydrophobicContact CG2-CG1 4.16Å; V2842-I2867 HydrophobicContact CG2-CG2 3.95Å
2843	T	53.3	Low	49.3	Very low	76 Å²	76	79.5 Å²	79.5	47%	0.466	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.2	173.1	-57.3	0	0	0	0	109.7	Q2841 T2845 T2866	Q2841-T2843 PolarHBondContact O-N 3.44Å; Q2841-T2843 VanDerWaalsContact O-N 3.1Å; T2843-T2845 HydrophobicContact CG2-CG2 4.3Å; T2843-T2845 PolarHBondContact O-N 2.89Å; T2843-T2866 PolarHBondContact N-O 3Å; T2843-T2866 PolarHBondContact O-N 3.33Å; T2843-T2866 VanDerWaalsContact O-O 3.13Å
2844	V	47.7	Very low	47.8	Very low	81 Å²	81	84.6 Å²	84.6	49%	0.491	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	98.6	177.7	-175.5	0	0	0	0	109.5	L2831 V2842 G2846 A2849 I2862 A2865	L2831-V2844 HydrophobicContact CD1-CG2 4.25Å; V2842-V2844 HydrophobicContact CG1-CG2 4.26Å; V2844-G2846 PolarHBondContact O-N 3.07Å; V2844-G2846 VanDerWaalsContact O-N 3.17Å; V2844-A2849 WeakPolarHBondContact O-CB 3.38Å; V2844-I2862 HydrophobicContact CG1-CG2 3.86Å; V2844-A2865 HydrophobicContact CG2-CB 4.47Å
2845	T	43.1	Very low	46.2	Very low	81.6667 Å²	81.6667	86.6 Å²	86.6	50%	0.501	59%	0.589	S	S	.	*			trans	-95.1	97.9	176.6	9.4	0	0	0	0	111.1	T2843 S2863 A2864	T2843-T2845 HydrophobicContact CG2-CG2 4.3Å; T2843-T2845 PolarHBondContact O-N 2.89Å; T2845-S2863 CarbonylContact C-O 3.07Å; T2845-A2864 CarbonylContact C-O 2.99Å; T2845-A2864 PolarHBondContact N-O 3.06Å; T2845-A2864 VanDerWaalsContact N-O 3.1Å; T2845-A2864 PolarHBondContact O-N 2.94Å; T2845-A2864 VanDerWaalsContact O-O 3.12Å; T2845-A2864 PolarHBondContact OG1-O 2.76Å
2846	G	37.4	Very low	44.6	Very low	28 Å²	28	87.6 Å²	87.6	29%	0.289	60%	0.598	S	S	.	*	S	Bend	trans	-136.2	158.1	172.7	0	0	0	0	0	111.5	V2844 A2848 A2849	V2844-G2846 PolarHBondContact O-N 3.07Å; V2844-G2846 VanDerWaalsContact O-N 3.17Å; G2846-A2848 PolarHBondContact O-N 3.15Å; G2846-A2848 VanDerWaalsContact O-N 3.08Å; G2846-A2849 WeakPolarHBondContact O-CB 3.25Å; G2846-A2849 PolarHBondContact O-N 2.97Å
2847	P	37	Very low	42.9	Very low	108 Å²	108	86.9 Å²	86.9	70%	0.701	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	11.1	-172.8	-7.5	13.9	0	0	0	114.7	T2861 S2863	P2847-T2861 HydrophobicContact CG-CG2 4.48Å; P2847-S2863 VanDerWaalsContact CD-OG 3.26Å; P2847-S2863 WeakPolarHBondContact CD-OG 3.48Å
2848	A	37.6	Very low	41.4	Very low	77.6667 Å²	77.6667	92.5 Å²	92.5	64%	0.642	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-5.8	178.9	0	0	0	0	0	114.4	G2846 A2850 A2851	G2846-A2848 PolarHBondContact O-N 3.15Å; G2846-A2848 VanDerWaalsContact O-N 3.08Å; A2848-A2850 VanDerWaalsContact C-N 3.3Å; A2848-A2850 PolarHBondContact O-N 3.1Å; A2848-A2850 VanDerWaalsContact O-N 3.16Å; A2848-A2851 PolarHBondContact O-N 3.33Å
2849	A	35	Very low	40.3	Very low	85.6667 Å²	85.6667	91.9 Å²	91.9	71%	0.708	62%	0.624	S	S	*	*	S	Bend	trans	-74.4	-8.9	-174.4	0	0	0	0	0	114.6	V2844 G2846	V2844-A2849 WeakPolarHBondContact O-CB 3.38Å; G2846-A2849 WeakPolarHBondContact O-CB 3.25Å; G2846-A2849 PolarHBondContact O-N 2.97Å
2850	A	33.8	Very low	39	Very low	97.3333 Å²	97.3333	98.2 Å²	98.2	80%	0.804	63%	0.628	S	S	*	*	S	Bend	trans	-116.1	35.4	178.7	0	0	0	0	0	112.8	A2848	A2848-A2850 VanDerWaalsContact C-N 3.3Å; A2848-A2850 PolarHBondContact O-N 3.1Å; A2848-A2850 VanDerWaalsContact O-N 3.16Å
2851	A	31.9	Very low	37.9	Very low	78 Å²	78	102 Å²	102	65%	0.645	65%	0.65	S	S	*	*			trans	-123.1	94.1	178.8	0	0	0	0	0	113.3	A2848 V2853	A2848-A2851 PolarHBondContact O-N 3.33Å; A2851-V2853 VanDerWaalsContact C-N 3.26Å; A2851-V2853 PolarHBondContact O-N 3.33Å
2852	G	29.2	Very low	36.8	Very low	88.3333 Å²	88.3333	99.7 Å²	99.7	91%	0.911	64%	0.641	S	S	*	*			trans	-74.6	85.7	176.3	0	0	0	0	0	113.3
2853	V	33.6	Very low	35.9	Very low	121.333 Å²	121.333	100.3 Å²	100.3	74%	0.735	65%	0.647	S	S	*	*			trans	-131.2	124	173.6	-176.9	0	0	0	0	110.4	A2851 G2855	A2851-V2853 VanDerWaalsContact C-N 3.26Å; A2851-V2853 PolarHBondContact O-N 3.33Å; V2853-G2855 PolarHBondContact O-N 3.23Å
2854	V	33.1	Very low	35.2	Very low	154.667 Å²	154.667	98.4 Å²	98.4	94%	0.937	64%	0.639	S	S	*	*			trans	-73.8	121.2	172.3	176.9	0	0	0	0	109
2855	G	30.7	Very low	35.4	Very low	50.6667 Å²	50.6667	95 Å²	95	52%	0.522	62%	0.62	S	S	.	*			trans	-160.1	102.1	-174.1	0	0	0	0	0	115.1	V2853 R2860	V2853-G2855 PolarHBondContact O-N 3.23Å; G2855-R2860 PolarHBondContact O-NH2 2.99Å
2856	N	34	Very low	35.7	Very low	143.667 Å²	143.667	93.1 Å²	93.1	77%	0.768	61%	0.608	S	S	*	*			trans	17.6	137.1	169.2	-132.2	-5.8	0	0	0	118.7	N2858	N2856-N2858 PolarHBondContact O-N 2.89Å
2857	N	34.6	Very low	36.6	Very low	131.667 Å²	131.667	91.8 Å²	91.8	70%	0.704	60%	0.595	S	S	*	*	S	Bend	trans	-11.7	130.4	149.8	-55.9	-29.4	0	0	0	116.4
2858	N	34.3	Very low	37.6	Very low	155.667 Å²	155.667	88.7 Å²	88.7	83%	0.832	57%	0.573	S	S	*	*	S	Bend	trans	121.5	106.7	153.8	-63.5	-19.5	0	0	0	113.9	N2856 R2860	N2856-N2858 PolarHBondContact O-N 2.89Å; N2858-R2860 PolarHBondContact O-N 3.23Å
2859	S	32.8	Very low	38.8	Very low	105 Å²	105	85 Å²	85	73%	0.734	54%	0.543	S	S	*	.			trans	13.1	92.8	173.9	-164.7	0	0	0	0	115.8	T2861	S2859-T2861 PolarHBondContact O-N 3.5Å
2860	R	33.3	Very low	40.1	Very low	198 Å²	198	83.6 Å²	83.6	75%	0.747	53%	0.526	S	S	*	.			trans	-101.3	102.1	165.6	-66.9	-170.3	-174.7	-149.8	4.2	110.7	G2855 N2858 I2862	G2855-R2860 PolarHBondContact O-NH2 2.99Å; N2858-R2860 PolarHBondContact O-N 3.23Å; R2860-I2862 PolarHBondContact O-N 3.31Å
2861	T	33.6	Very low	41.7	Very low	101.667 Å²	101.667	81.6 Å²	81.6	62%	0.624	50%	0.504	S	S	*	.			trans	-76.6	120.3	170.1	39.5	0	0	0	0	110.9	P2847 S2859 S2863	P2847-T2861 HydrophobicContact CG-CG2 4.48Å; S2859-T2861 PolarHBondContact O-N 3.5Å; T2861-S2863 PolarHBondContact O-N 2.84Å; T2861-S2863 VanDerWaalsContact O-N 3.14Å
2862	I	34.1	Very low	43.2	Very low	89.6667 Å²	89.6667	84.1 Å²	84.1	46%	0.46	51%	0.506	S	S	.	.			trans	-85.8	108.8	172.1	-62.9	169.1	0	0	0	107.8	P2802 T2803 L2827 V2844 R2860 A2864	P2802-I2862 HydrophobicContact CB-CG2 4.49Å; T2803-I2862 PolarHBondContact OG1-O 2.71Å; L2827-I2862 HydrophobicContact CD2-CB 4.36Å; L2827-I2862 HydrophobicContact CD2-CD1 3.69Å; V2844-I2862 HydrophobicContact CG1-CG2 3.86Å; R2860-I2862 PolarHBondContact O-N 3.31Å; I2862-A2864 PolarHBondContact O-N 3.02Å
2863	S	34.2	Very low	45	Very low	53.3333 Å²	53.3333	80.6 Å²	80.6	37%	0.373	47%	0.469	S	S	.	.			trans	-75.9	130.4	169.4	-59.6	0	0	0	0	110	T2803 T2845 P2847 T2861	T2803-S2863 PolarHBondContact N-O 3.39Å; T2803-S2863 VanDerWaalsContact OG1-CB 3.24Å; T2803-S2863 WeakPolarHBondContact OG1-CB 3.37Å; T2803-S2863 PolarHBondContact OG1-O 2.9Å; T2845-S2863 CarbonylContact C-O 3.07Å; P2847-S2863 VanDerWaalsContact CD-OG 3.26Å; P2847-S2863 WeakPolarHBondContact CD-OG 3.48Å; T2861-S2863 PolarHBondContact O-N 2.84Å; T2861-S2863 VanDerWaalsContact O-N 3.14Å
2864	A	38.3	Very low	46.7	Very low	36 Å²	36	75.4 Å²	75.4	30%	0.298	44%	0.439	S	S	.	.			trans	38.6	103.5	170.3	0	0	0	0	0	114.9	T2800 T2845 I2862	T2800-A2864 HydrophobicContact CG2-CB 4.12Å; T2845-A2864 CarbonylContact C-O 2.99Å; T2845-A2864 PolarHBondContact N-O 3.06Å; T2845-A2864 VanDerWaalsContact N-O 3.1Å; T2845-A2864 PolarHBondContact O-N 2.94Å; T2845-A2864 VanDerWaalsContact O-O 3.12Å; T2845-A2864 PolarHBondContact OG1-O 2.76Å; I2862-A2864 PolarHBondContact O-N 3.02Å
2865	A	50.9	Low	48.4	Very low	9.66667 Å²	9.66667	73.7 Å²	73.7	8%	0.08	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.3	162.1	0	0	0	0	0	109.5	I2801 T2803 L2831 V2844	I2801-A2865 PolarHBondContact N-O 3.31Å; I2801-A2865 PolarHBondContact O-N 2.79Å; I2801-A2865 VanDerWaalsContact O-N 3.08Å; T2803-A2865 HydrophobicContact CG2-CB 4.45Å; L2831-A2865 HydrophobicContact CD1-CB 4.15Å; L2831-A2865 HydrophobicContact CD2-CB 4.11Å; V2844-A2865 HydrophobicContact CG2-CB 4.47Å
2866	T	50.9	Low	50.3	Low	41.3333 Å²	41.3333	76.8 Å²	76.8	25%	0.254	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.3	175.4	-62.4	0	0	0	0	109.1	A2798 V2799 T2800 T2843	A2798-T2866 HydrophobicContact CB-CG2 3.97Å; V2799-T2866 WeakPolarHBondContact O-CA 3.31Å; T2800-T2866 PolarHBondContact OG1-OG1 3.45Å; T2843-T2866 PolarHBondContact N-O 3Å; T2843-T2866 PolarHBondContact O-N 3.33Å; T2843-T2866 VanDerWaalsContact O-O 3.13Å
2867	I	56	Low	51.8	Low	1.33333 Å²	1.33333	70.2 Å²	70.2	1%	0.007	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.1	-178.3	-50.3	166.5	0	0	0	109.1	A2797 A2798 V2799 I2801 L2830 L2831 L2834 Q2841 V2842 L2869	A2797-I2867 VanDerWaalsContact O-O 3.04Å; A2798-I2867 WeakPolarHBondContact CA-O 3.46Å; V2799-I2867 HydrophobicContact CB-CD1 4.44Å; V2799-I2867 PolarHBondContact N-O 2.99Å; V2799-I2867 VanDerWaalsContact N-O 3.11Å; V2799-I2867 PolarHBondContact O-N 3.09Å; I2801-I2867 HydrophobicContact CD1-CD1 4.02Å; L2830-I2867 HydrophobicContact CD2-CD1 4.33Å; L2831-I2867 HydrophobicContact CD1-CD1 3.92Å; L2831-I2867 HydrophobicContact CD2-CD1 3.71Å; L2831-I2867 HydrophobicContact CD2-CG1 4.13Å; L2834-I2867 HydrophobicContact CB-CD1 3.97Å; L2834-I2867 HydrophobicContact CB-CG2 4.47Å; L2834-I2867 HydrophobicContact CD1-CD1 3.55Å; L2834-I2867 VanDerWaalsContact CD1-CD1 3.5Å; L2834-I2867 HydrophobicContact CD1-CG1 4.02Å; L2834-I2867 HydrophobicContact CD1-CG2 4.1Å; L2834-I2867 HydrophobicContact CD2-CG2 4.26Å; L2834-I2867 HydrophobicContact CG-CD1 4.42Å; Q2841-I2867 CarbonylContact O-C 3.53Å; Q2841-I2867 WeakPolarHBondContact O-CA 3.28Å; V2842-I2867 HydrophobicContact CG1-CG1 4.41Å; V2842-I2867 HydrophobicContact CG2-CD1 4.44Å; V2842-I2867 HydrophobicContact CG2-CG1 4.16Å; V2842-I2867 HydrophobicContact CG2-CG2 3.95Å; I2867-L2869 HydrophobicContact CG2-CD1 4.38Å; I2867-L2869 HydrophobicContact CG2-CD2 3.86Å; I2867-L2869 HydrophobicContact CG2-CG 3.93Å
2868	T	57.7	Low	53.3	Low	41.3333 Å²	41.3333	66.6 Å²	66.6	25%	0.254	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.4	178.8	-42.5	0	0	0	0	108.9	V2796 A2797 S2840 Q2841	V2796-T2868 HydrophobicContact CB-CG2 4.19Å; V2796-T2868 HydrophobicContact CG1-CG2 3.52Å; V2796-T2868 WeakPolarHBondContact CG1-OG1 3.48Å; V2796-T2868 HydrophobicContact CG2-CG2 4.02Å; A2797-T2868 CarbonylContact O-C 3.53Å; A2797-T2868 WeakPolarHBondContact O-CA 3.42Å; S2840-T2868 VanDerWaalsContact CA-O 3.25Å; S2840-T2868 WeakPolarHBondContact CA-O 3.29Å; Q2841-T2868 PolarHBondContact N-O 2.93Å; Q2841-T2868 WeakPolarHBondContact O-CB 3.46Å; Q2841-T2868 PolarHBondContact O-N 2.98Å; Q2841-T2868 PolarHBondContact O-OG1 3.44Å
2869	L	63.4	Low	54.6	Low	1.33333 Å²	1.33333	61.7 Å²	61.7	1%	0.007	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.8	-177.4	-63.1	176	0	0	0	111.5	V2796 A2797 V2799 L2834 I2837 S2840 I2867 A2873 A2874 A2877	V2796-L2869 WeakPolarHBondContact CG1-O 3.3Å; A2797-L2869 PolarHBondContact N-O 3.07Å; A2797-L2869 VanDerWaalsContact N-O 3.16Å; A2797-L2869 PolarHBondContact O-N 3.1Å; V2799-L2869 HydrophobicContact CG2-CD1 4.14Å; L2834-L2869 HydrophobicContact CB-CD2 4.48Å; L2834-L2869 HydrophobicContact CD2-CD1 4.17Å; L2834-L2869 HydrophobicContact CD2-CD2 4.31Å; I2837-L2869 HydrophobicContact CB-CD2 4.41Å; I2837-L2869 HydrophobicContact CD1-CD2 4.31Å; I2837-L2869 HydrophobicContact CG2-CD2 4.14Å; S2840-L2869 WeakPolarHBondContact OG-CD2 3.34Å; I2867-L2869 HydrophobicContact CG2-CD1 4.38Å; I2867-L2869 HydrophobicContact CG2-CD2 3.86Å; I2867-L2869 HydrophobicContact CG2-CG 3.93Å; L2869-A2873 HydrophobicContact CB-CB 4.32Å; L2869-A2874 HydrophobicContact CB-CB 3.89Å; L2869-A2874 HydrophobicContact CD1-CB 4.39Å; L2869-A2877 HydrophobicContact CD1-CB 3.73Å; L2869-A2877 VanDerWaalsContact CD1-CB 3.42Å
2870	P	62.5	Low	56.1	Low	54.6667 Å²	54.6667	60.9 Å²	60.9	36%	0.355	34%	0.344	S	S	.	.			trans	-56.4	144.7	163.1	-22.8	33.2	0	0	0	111.2	N2872 A2873 A2874	P2870-N2872 VanDerWaalsContact C-N 3.34Å; P2870-N2872 PolarHBondContact O-N 2.93Å; P2870-N2872 VanDerWaalsContact O-N 3.13Å; P2870-A2873 HydrophobicContact CB-CB 4.3Å; P2870-A2873 HydrophobicContact CG-CB 4.44Å; P2870-A2873 CarbonylContact O-C 3.55Å; P2870-A2873 WeakPolarHBondContact O-CA 3.27Å; P2870-A2873 VanDerWaalsContact O-CB 3.3Å; P2870-A2873 WeakPolarHBondContact O-CB 3.34Å; P2870-A2873 PolarHBondContact O-N 2.95Å; P2870-A2874 PolarHBondContact O-N 3.02Å
2871	V	67	Low	57.7	Low	56 Å²	56	53.7 Å²	53.7	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-49.7	-47	-169.6	-178.7	0	0	0	0	114	I2795 A2873 A2874 Q2875	I2795-V2871 HydrophobicContact CB-CG2 4.12Å; I2795-V2871 HydrophobicContact CG2-CG2 3.73Å; I2795-V2871 VanDerWaalsContact O-CG2 3.24Å; I2795-V2871 WeakPolarHBondContact O-CG2 3.45Å; I2795-V2871 PolarHBondContact O-N 2.96Å; V2871-A2873 VanDerWaalsContact C-N 3.31Å; V2871-A2873 PolarHBondContact O-N 2.81Å; V2871-A2874 WeakPolarHBondContact O-CB 3.4Å; V2871-A2874 PolarHBondContact O-N 3.06Å; V2871-A2874 VanDerWaalsContact O-N 3.15Å; V2871-Q2875 HydrophobicContact CG1-CG 4.39Å; V2871-Q2875 WeakPolarHBondContact O-CG 3.37Å; V2871-Q2875 PolarHBondContact O-N 3.15Å
2872	N	63.3	Low	59.1	Low	130 Å²	130	55.8 Å²	55.8	70%	0.695	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-37.6	-179.6	-61.8	4.6	0	0	0	111.9	P2870 A2874 Q2875 Q2876	P2870-N2872 VanDerWaalsContact C-N 3.34Å; P2870-N2872 PolarHBondContact O-N 2.93Å; P2870-N2872 VanDerWaalsContact O-N 3.13Å; N2872-A2874 VanDerWaalsContact C-N 3.35Å; N2872-Q2875 PolarHBondContact O-N 3.08Å; N2872-Q2876 WeakPolarHBondContact O-CB 3.14Å; N2872-Q2876 PolarHBondContact O-N 3.19Å
2873	A	67.3	Low	59.9	Low	15 Å²	15	54.4 Å²	54.4	12%	0.124	32%	0.322	C	S	.	.	H	α-helix	trans	-70.7	-36.2	174.5	0	0	0	0	0	111.8	I2837 L2869 P2870 V2871 Q2876 A2877	I2837-A2873 HydrophobicContact CD1-CB 4.24Å; I2837-A2873 HydrophobicContact CG2-CB 3.58Å; I2837-A2873 VanDerWaalsContact CG2-CB 3.42Å; L2869-A2873 HydrophobicContact CB-CB 4.32Å; P2870-A2873 HydrophobicContact CB-CB 4.3Å; P2870-A2873 HydrophobicContact CG-CB 4.44Å; P2870-A2873 CarbonylContact O-C 3.55Å; P2870-A2873 WeakPolarHBondContact O-CA 3.27Å; P2870-A2873 VanDerWaalsContact O-CB 3.3Å; P2870-A2873 WeakPolarHBondContact O-CB 3.34Å; P2870-A2873 PolarHBondContact O-N 2.95Å; V2871-A2873 VanDerWaalsContact C-N 3.31Å; V2871-A2873 PolarHBondContact O-N 2.81Å; A2873-Q2876 PolarHBondContact O-N 3.18Å; A2873-A2877 WeakPolarHBondContact O-CB 3.43Å; A2873-A2877 PolarHBondContact O-N 3.19Å
2874	A	67.8	Low	60.8	Low	12 Å²	12	54.2 Å²	54.2	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-42.2	173.8	0	0	0	0	0	111.8	A2797 V2799 L2869 P2870 V2871 N2872 A2877 A2878	A2797-A2874 HydrophobicContact CB-CB 3.75Å; V2799-A2874 HydrophobicContact CG2-CB 4.36Å; L2869-A2874 HydrophobicContact CB-CB 3.89Å; L2869-A2874 HydrophobicContact CD1-CB 4.39Å; P2870-A2874 PolarHBondContact O-N 3.02Å; V2871-A2874 WeakPolarHBondContact O-CB 3.4Å; V2871-A2874 PolarHBondContact O-N 3.06Å; V2871-A2874 VanDerWaalsContact O-N 3.15Å; N2872-A2874 VanDerWaalsContact C-N 3.35Å; A2874-A2877 PolarHBondContact O-N 2.83Å; A2874-A2878 VanDerWaalsContact O-CB 3.28Å; A2874-A2878 WeakPolarHBondContact O-CB 3.31Å; A2874-A2878 PolarHBondContact O-N 2.89Å
2875	Q	68.8	Low	61.6	Low	120.333 Å²	120.333	56.3 Å²	56.3	56%	0.562	33%	0.333	S	S	*	.	H	α-helix	trans	-64.5	-45.8	174.7	-72.3	179.4	-6.1	0	0	111.9	V2871 N2872 A2878 A2879 Y3452	V2871-Q2875 HydrophobicContact CG1-CG 4.39Å; V2871-Q2875 WeakPolarHBondContact O-CG 3.37Å; V2871-Q2875 PolarHBondContact O-N 3.15Å; N2872-Q2875 PolarHBondContact O-N 3.08Å; Q2875-A2878 PolarHBondContact O-N 2.86Å; Q2875-A2879 WeakPolarHBondContact O-CB 3.28Å; Q2875-A2879 PolarHBondContact O-N 2.91Å; Q2875-Y3452 PolarHBondContact NE2-OH 2.8Å; Q2875-Y3452 VanDerWaalsContact NE2-OH 3.14Å
2876	Q	71.3	Confident	61.4	Low	115.333 Å²	115.333	61 Å²	61	54%	0.539	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-39.5	177.2	-169.2	93.3	42.3	0	0	112.2	N2872 A2873 A2879 N2880	N2872-Q2876 WeakPolarHBondContact O-CB 3.14Å; N2872-Q2876 PolarHBondContact O-N 3.19Å; A2873-Q2876 PolarHBondContact O-N 3.18Å; Q2876-A2879 PolarHBondContact O-N 3.2Å; Q2876-N2880 PolarHBondContact NE2-OD1 3.39Å; Q2876-N2880 WeakPolarHBondContact O-CB 3.32Å; Q2876-N2880 PolarHBondContact O-N 3.23Å; Q2876-N2880 PolarHBondContact O-OD1 2.93Å
2877	A	65.6	Low	61	Low	5.66667 Å²	5.66667	63.3 Å²	63.3	5%	0.047	37%	0.374	C	S	.	.	H	α-helix	trans	-61.7	-47	173.1	0	0	0	0	0	111.4	L2834 I2837 L2869 A2873 A2874 A2879 N2880 I2881	L2834-A2877 HydrophobicContact CD2-CB 3.64Å; I2837-A2877 HydrophobicContact CD1-CB 3.73Å; L2869-A2877 HydrophobicContact CD1-CB 3.73Å; L2869-A2877 VanDerWaalsContact CD1-CB 3.42Å; A2873-A2877 WeakPolarHBondContact O-CB 3.43Å; A2873-A2877 PolarHBondContact O-N 3.19Å; A2874-A2877 PolarHBondContact O-N 2.83Å; A2877-A2879 VanDerWaalsContact C-N 3.33Å; A2877-A2879 PolarHBondContact O-N 3.06Å; A2877-N2880 PolarHBondContact O-N 3.08Å; A2877-I2881 VanDerWaalsContact O-CB 3.26Å; A2877-I2881 WeakPolarHBondContact O-CB 3.34Å; A2877-I2881 WeakPolarHBondContact O-CD1 3.41Å; A2877-I2881 VanDerWaalsContact O-CG1 3.23Å; A2877-I2881 WeakPolarHBondContact O-CG1 3.29Å; A2877-I2881 PolarHBondContact O-N 3.3Å
2878	A	65.9	Low	60.6	Low	56 Å²	56	68.9 Å²	68.9	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-62.3	-39.6	176.8	0	0	0	0	0	112.3	A2874 Q2875 I2881 K2882	A2874-A2878 VanDerWaalsContact O-CB 3.28Å; A2874-A2878 WeakPolarHBondContact O-CB 3.31Å; A2874-A2878 PolarHBondContact O-N 2.89Å; Q2875-A2878 PolarHBondContact O-N 2.86Å; A2878-I2881 PolarHBondContact O-N 2.91Å; A2878-K2882 VanDerWaalsContact O-CB 3.24Å; A2878-K2882 WeakPolarHBondContact O-CB 3.33Å; A2878-K2882 PolarHBondContact O-N 2.91Å
2879	A	61.9	Low	59.8	Low	52.6667 Å²	52.6667	71.1 Å²	71.1	44%	0.435	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-46.6	174.3	0	0	0	0	0	112	Q2875 Q2876 A2877 K2882 A2883	Q2875-A2879 WeakPolarHBondContact O-CB 3.28Å; Q2875-A2879 PolarHBondContact O-N 2.91Å; Q2876-A2879 PolarHBondContact O-N 3.2Å; A2877-A2879 VanDerWaalsContact C-N 3.33Å; A2877-A2879 PolarHBondContact O-N 3.06Å; A2879-K2882 PolarHBondContact O-N 2.87Å; A2879-A2883 WeakPolarHBondContact O-CB 3.23Å; A2879-A2883 PolarHBondContact O-N 3.11Å
2880	N	64.1	Low	58.3	Low	87.6667 Å²	87.6667	76 Å²	76	47%	0.469	45%	0.448	S	S	.	.	H	α-helix	trans	-64.8	-42.5	178	-70.7	-2.8	0	0	0	111.9	Q2876 A2877 A2883 A2884	Q2876-N2880 PolarHBondContact NE2-OD1 3.39Å; Q2876-N2880 WeakPolarHBondContact O-CB 3.32Å; Q2876-N2880 PolarHBondContact O-N 3.23Å; Q2876-N2880 PolarHBondContact O-OD1 2.93Å; A2877-N2880 PolarHBondContact O-N 3.08Å; N2880-A2883 PolarHBondContact O-N 3.42Å; N2880-A2884 WeakPolarHBondContact O-CB 3.36Å; N2880-A2884 PolarHBondContact O-N 3.03Å
2881	I	66.5	Low	56.9	Low	45.6667 Å²	45.6667	78.9 Å²	78.9	23%	0.234	47%	0.467	C	S	.	.	H	α-helix	trans	-63.7	-43.6	175.1	-69.6	165	0	0	0	110.3	L2830 A2877 A2878 A2883 A2884 V2885	L2830-I2881 HydrophobicContact CD1-CD1 4.01Å; L2830-I2881 HydrophobicContact CD1-CG1 4.08Å; L2830-I2881 HydrophobicContact CD2-CD1 4.25Å; L2830-I2881 HydrophobicContact CD2-CG1 4.31Å; A2877-I2881 VanDerWaalsContact O-CB 3.26Å; A2877-I2881 WeakPolarHBondContact O-CB 3.34Å; A2877-I2881 WeakPolarHBondContact O-CD1 3.41Å; A2877-I2881 VanDerWaalsContact O-CG1 3.23Å; A2877-I2881 WeakPolarHBondContact O-CG1 3.29Å; A2877-I2881 PolarHBondContact O-N 3.3Å; A2878-I2881 PolarHBondContact O-N 2.91Å; I2881-A2883 VanDerWaalsContact C-N 3.34Å; I2881-A2883 PolarHBondContact O-N 3.2Å; I2881-A2884 PolarHBondContact O-N 3.13Å; I2881-V2885 HydrophobicContact CG2-CG2 4.32Å; I2881-V2885 WeakPolarHBondContact O-CB 3Å; I2881-V2885 VanDerWaalsContact O-CG2 3.27Å; I2881-V2885 WeakPolarHBondContact O-CG2 3.35Å; I2881-V2885 PolarHBondContact O-N 3.06Å
2882	K	62.9	Low	55.3	Low	146.667 Å²	146.667	83 Å²	83	64%	0.638	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-42	176.8	-172.3	175	-178	179	0	111.6	A2878 A2879 L2886	A2878-K2882 VanDerWaalsContact O-CB 3.24Å; A2878-K2882 WeakPolarHBondContact O-CB 3.33Å; A2878-K2882 PolarHBondContact O-N 2.91Å; A2879-K2882 PolarHBondContact O-N 2.87Å; K2882-L2886 HydrophobicContact CG-CD1 4.06Å; K2882-L2886 VanDerWaalsContact O-CB 3.29Å; K2882-L2886 WeakPolarHBondContact O-CB 3.42Å; K2882-L2886 WeakPolarHBondContact O-CD1 3.24Å; K2882-L2886 WeakPolarHBondContact O-CG 3.3Å; K2882-L2886 PolarHBondContact O-N 2.95Å
2883	A	52.5	Low	53.8	Low	60 Å²	60	83.1 Å²	83.1	50%	0.496	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-44.4	174.3	0	0	0	0	0	112.2	A2879 N2880 I2881 L2886 S2887	A2879-A2883 WeakPolarHBondContact O-CB 3.23Å; A2879-A2883 PolarHBondContact O-N 3.11Å; N2880-A2883 PolarHBondContact O-N 3.42Å; I2881-A2883 VanDerWaalsContact C-N 3.34Å; I2881-A2883 PolarHBondContact O-N 3.2Å; A2883-L2886 PolarHBondContact O-N 3.19Å; A2883-S2887 WeakPolarHBondContact O-CB 3.43Å; A2883-S2887 PolarHBondContact O-N 3.41Å; A2883-S2887 PolarHBondContact O-OG 3.24Å
2884	A	53.1	Low	52	Low	50.3333 Å²	50.3333	90 Å²	90	42%	0.416	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-46.7	177.3	0	0	0	0	0	112	N2880 I2881 L2886 S2887 V2888	N2880-A2884 WeakPolarHBondContact O-CB 3.36Å; N2880-A2884 PolarHBondContact O-N 3.03Å; I2881-A2884 PolarHBondContact O-N 3.13Å; A2884-L2886 PolarHBondContact O-N 3.18Å; A2884-S2887 PolarHBondContact O-N 3.01Å; A2884-S2887 VanDerWaalsContact O-N 3.14Å; A2884-S2887 PolarHBondContact O-OG 2.89Å; A2884-V2888 WeakPolarHBondContact O-CG2 3.4Å; A2884-V2888 PolarHBondContact O-N 2.94Å; A2884-V2888 VanDerWaalsContact O-N 3.09Å
2885	V	53.8	Low	50.3	Low	79.3333 Å²	79.3333	98.5 Å²	98.5	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-60.6	-47.9	175.7	171.5	0	0	0	0	110.7	I2881 S2887 V2888 T2889	I2881-V2885 HydrophobicContact CG2-CG2 4.32Å; I2881-V2885 WeakPolarHBondContact O-CB 3Å; I2881-V2885 VanDerWaalsContact O-CG2 3.27Å; I2881-V2885 WeakPolarHBondContact O-CG2 3.35Å; I2881-V2885 PolarHBondContact O-N 3.06Å; V2885-S2887 VanDerWaalsContact C-N 3.25Å; V2885-S2887 PolarHBondContact O-N 3.3Å; V2885-V2888 CarbonylContact O-C 3.6Å; V2885-V2888 PolarHBondContact O-N 3.16Å; V2885-T2889 HydrophobicContact CG1-CG2 4.13Å; V2885-T2889 WeakPolarHBondContact O-CB 3.15Å; V2885-T2889 WeakPolarHBondContact O-CG2 3.27Å; V2885-T2889 PolarHBondContact O-N 2.81Å; V2885-T2889 PolarHBondContact O-OG1 3.19Å
2886	L	47.2	Very low	48.4	Very low	107.667 Å²	107.667	96.2 Å²	96.2	56%	0.564	57%	0.569	S	S	*	*	H	α-helix	trans	-61.2	-31.1	177.5	-73.6	169.3	0	0	0	113.3	K2882 A2883 A2884 V2888 T2889	K2882-L2886 HydrophobicContact CG-CD1 4.06Å; K2882-L2886 VanDerWaalsContact O-CB 3.29Å; K2882-L2886 WeakPolarHBondContact O-CB 3.42Å; K2882-L2886 WeakPolarHBondContact O-CD1 3.24Å; K2882-L2886 WeakPolarHBondContact O-CG 3.3Å; K2882-L2886 PolarHBondContact O-N 2.95Å; A2883-L2886 PolarHBondContact O-N 3.19Å; A2884-L2886 PolarHBondContact O-N 3.18Å; L2886-V2888 VanDerWaalsContact C-N 3.3Å; L2886-V2888 PolarHBondContact O-N 2.76Å; L2886-T2889 WeakPolarHBondContact CA-OG1 3.4Å; L2886-T2889 PolarHBondContact O-OG1 2.74Å
2887	S	41.9	Very low	46.3	Very low	91.3333 Å²	91.3333	100.8 Å²	100.8	64%	0.639	59%	0.587	S	S	*	*	H	α-helix	trans	-72.3	-27.1	174.7	75.9	0	0	0	0	113.6	A2883 A2884 V2885	A2883-S2887 WeakPolarHBondContact O-CB 3.43Å; A2883-S2887 PolarHBondContact O-N 3.41Å; A2883-S2887 PolarHBondContact O-OG 3.24Å; A2884-S2887 PolarHBondContact O-N 3.01Å; A2884-S2887 VanDerWaalsContact O-N 3.14Å; A2884-S2887 PolarHBondContact O-OG 2.89Å; V2885-S2887 VanDerWaalsContact C-N 3.25Å; V2885-S2887 PolarHBondContact O-N 3.3Å
2888	V	47.5	Very low	44.6	Very low	118.667 Å²	118.667	105.4 Å²	105.4	72%	0.719	62%	0.624	S	S	*	*	H	α-helix	trans	-88.4	-29.1	178.6	175	0	0	0	0	111.9	A2884 V2885 L2886 N2890	A2884-V2888 WeakPolarHBondContact O-CG2 3.4Å; A2884-V2888 PolarHBondContact O-N 2.94Å; A2884-V2888 VanDerWaalsContact O-N 3.09Å; V2885-V2888 CarbonylContact O-C 3.6Å; V2885-V2888 PolarHBondContact O-N 3.16Å; L2886-V2888 VanDerWaalsContact C-N 3.3Å; L2886-V2888 PolarHBondContact O-N 2.76Å; V2888-N2890 PolarHBondContact O-N 3.34Å; V2888-N2890 VanDerWaalsContact O-N 3.07Å
2889	T	41.1	Very low	42.9	Very low	87.6667 Å²	87.6667	107 Å²	107	54%	0.538	64%	0.638	S	S	.	*	S	Bend	trans	-90.6	20.4	-176.6	59.9	0	0	0	0	114.9	V2885 L2886 P2891	V2885-T2889 HydrophobicContact CG1-CG2 4.13Å; V2885-T2889 WeakPolarHBondContact O-CB 3.15Å; V2885-T2889 WeakPolarHBondContact O-CG2 3.27Å; V2885-T2889 PolarHBondContact O-N 2.81Å; V2885-T2889 PolarHBondContact O-OG1 3.19Å; L2886-T2889 WeakPolarHBondContact CA-OG1 3.4Å; L2886-T2889 PolarHBondContact O-OG1 2.74Å; T2889-P2891 VanDerWaalsContact C-CD 3.46Å; T2889-P2891 VanDerWaalsContact O-CD 3.23Å; T2889-P2891 WeakPolarHBondContact O-CD 3.39Å
2890	N	31.6	Very low	41.2	Very low	103 Å²	103	111.3 Å²	111.3	55%	0.551	65%	0.654	S	S	*	*			trans	-109.2	81.6	177.5	-173.4	21.3	0	0	0	112.8	V2888 N2892	V2888-N2890 PolarHBondContact O-N 3.34Å; V2888-N2890 VanDerWaalsContact O-N 3.07Å; N2890-N2892 VanDerWaalsContact C-N 3.26Å; N2890-N2892 PolarHBondContact O-N 3.28Å; N2890-N2892 VanDerWaalsContact O-N 3.09Å
2891	P	33.4	Very low	39.7	Very low	116.333 Å²	116.333	114 Å²	114	76%	0.755	67%	0.666	S	S	*	*			trans	-83.2	36.6	-175.6	21.9	-16.7	0	0	0	113	T2889	T2889-P2891 VanDerWaalsContact C-CD 3.46Å; T2889-P2891 VanDerWaalsContact O-CD 3.23Å; T2889-P2891 WeakPolarHBondContact O-CD 3.39Å
2892	N	33.1	Very low	37.9	Very low	141.667 Å²	141.667	120.1 Å²	120.1	76%	0.758	69%	0.691	S	S	*	*			trans	-165	78.4	170.4	-99.6	-27.1	0	0	0	112.6	N2890	N2890-N2892 VanDerWaalsContact C-N 3.26Å; N2890-N2892 PolarHBondContact O-N 3.28Å; N2890-N2892 VanDerWaalsContact O-N 3.09Å
2893	N	32.4	Very low	36.1	Very low	133 Å²	133	124.3 Å²	124.3	71%	0.711	70%	0.703	S	S	*	*			trans	-163.8	60.8	146	-133.3	-5.3	0	0	0	114	Q2895	N2893-Q2895 PolarHBondContact O-N 2.85Å; N2893-Q2895 WeakPolarHBondContact OD1-CG 3.48Å
2894	N	30.4	Very low	34.9	Very low	160 Å²	160	128.1 Å²	128.1	86%	0.856	72%	0.715	S	S	*	*			trans	-102.6	77.2	173.5	-82	-26	0	0	0	111.2	G2896	N2894-G2896 PolarHBondContact O-N 2.87Å
2895	Q	30.8	Very low	33.8	Very low	190 Å²	190	133.6 Å²	133.6	89%	0.888	73%	0.732	S	S	*	*			trans	-107.3	130.4	155.4	-90.5	-175.3	25.3	0	0	111.5	N2893	N2893-Q2895 PolarHBondContact O-N 2.85Å; N2893-Q2895 WeakPolarHBondContact OD1-CG 3.48Å
2896	G	28.8	Very low	32.5	Very low	72.3333 Å²	72.3333	138 Å²	138	75%	0.746	75%	0.748	S	S	*	*			trans	78	77.4	153.1	0	0	0	0	0	118.7	N2894 A2898	N2894-G2896 PolarHBondContact O-N 2.87Å; G2896-A2898 PolarHBondContact O-N 3.28Å
2897	K	28.4	Very low	31.7	Very low	211.667 Å²	211.667	139.8 Å²	139.8	92%	0.92	76%	0.758	S	S	*	*			trans	-132.8	96.3	134.8	-99.6	171	-176.4	176.5	0	111.9	A2899	K2897-A2899 PolarHBondContact O-N 2.91Å
2898	A	28.5	Very low	31	Very low	101 Å²	101	140.2 Å²	140.2	84%	0.835	76%	0.761	S	S	*	*			trans	-94.1	136.7	167.2	0	0	0	0	0	109.8	G2896 N2900	G2896-A2898 PolarHBondContact O-N 3.28Å; A2898-N2900 PolarHBondContact O-N 2.97Å
2899	A	30.7	Very low	30.2	Very low	90.6667 Å²	90.6667	142.8 Å²	142.8	75%	0.749	77%	0.77	S	S	*	*			trans	-76.8	122.7	-178.6	0	0	0	0	0	111.3	K2897 I2901	K2897-A2899 PolarHBondContact O-N 2.91Å; A2899-I2901 VanDerWaalsContact C-N 3.25Å; A2899-I2901 HydrophobicContact CB-CG1 4.33Å; A2899-I2901 PolarHBondContact O-N 3.33Å
2900	N	26.4	Very low	29.5	Very low	142.667 Å²	142.667	145.3 Å²	145.3	76%	0.763	78%	0.78	S	S	*	*			trans	-73.7	105.8	170	-177.1	-33	0	0	0	109.3	A2898 K2902	A2898-N2900 PolarHBondContact O-N 2.97Å; N2900-K2902 PolarHBondContact O-N 3.12Å
2901	I	33.1	Very low	29.6	Very low	143.333 Å²	143.333	147.2 Å²	147.2	74%	0.735	79%	0.788	S	S	*	*			trans	-109.8	111.1	165.6	-58.3	-178.2	0	0	0	107.5	A2899 W2903	A2899-I2901 VanDerWaalsContact C-N 3.25Å; A2899-I2901 HydrophobicContact CB-CG1 4.33Å; A2899-I2901 PolarHBondContact O-N 3.33Å; I2901-W2903 PolarHBondContact O-N 3.09Å
2902	K	28.5	Very low	29.4	Very low	174 Å²	174	148.2 Å²	148.2	76%	0.757	79%	0.787	S	S	*	*			trans	-62.4	126.4	174.6	-77.9	-176.4	173	-178.3	0	111.2	N2900 N2904	N2900-K2902 PolarHBondContact O-N 3.12Å; K2902-N2904 PolarHBondContact O-N 3.07Å; K2902-N2904 VanDerWaalsContact O-N 3.16Å
2903	W	25	Very low	29.3	Very low	234.667 Å²	234.667	150 Å²	150	89%	0.889	79%	0.789	S	S	*	*			trans	-84	123.7	147.6	-86.1	76.2	0	0	0	109.4	I2901 Q2905	I2901-W2903 PolarHBondContact O-N 3.09Å; W2903-Q2905 HydrophobicContact CE3-CG 4.17Å; W2903-Q2905 HydrophobicContact CZ3-CG 4.49Å; W2903-Q2905 PolarHBondContact O-N 3.17Å; W2903-Q2905 VanDerWaalsContact O-N 3.14Å
2904	N	26.3	Very low	29.2	Very low	140.667 Å²	140.667	150.8 Å²	150.8	75%	0.752	79%	0.793	S	S	*	*			trans	-120.1	115.1	161.5	-128.9	22.4	0	0	0	110.2	K2902	K2902-N2904 PolarHBondContact O-N 3.07Å; K2902-N2904 VanDerWaalsContact O-N 3.16Å
2905	Q	29.9	Very low	29.3	Very low	165.333 Å²	165.333	149 Å²	149	77%	0.773	79%	0.788	S	S	*	*			trans	-111.2	129	158.8	-81.6	172.1	-12.3	0	0	108.3	W2903	W2903-Q2905 HydrophobicContact CE3-CG 4.17Å; W2903-Q2905 HydrophobicContact CZ3-CG 4.49Å; W2903-Q2905 PolarHBondContact O-N 3.17Å; W2903-Q2905 VanDerWaalsContact O-N 3.14Å
2906	Q	27.2	Very low	29.3	Very low	172 Å²	172	146.3 Å²	146.3	80%	0.804	78%	0.784	S	S	*	*				176.6	101.8	113.1	-166.3	169.5	-12.7	0	0	111
2907	D	30.1	Very low	29.4	Very low	146 Å²	146	151 Å²	151	78%	0.781	79%	0.787	S	S	*	*			trans	-99.9	151.8	161.2	-90.1	-55	0	0	0	114.1
2908	S	27.2	Very low	29.5	Very low	100 Å²	100	146 Å²	146	70%	0.699	78%	0.779	S	S	*	*			trans	-102.1	112.9	176.5	-55.6	0	0	0	0	114.5
2909	L	30.7	Very low	29.5	Very low	173.333 Å²	173.333	146.8 Å²	146.8	91%	0.908	77%	0.773	S	S	*	*			trans	-129.3	120.1	138.4	-97.4	141	0	0	0	114.1
2910	N	26	Very low	29.7	Very low	139 Å²	139	150.3 Å²	150.3	74%	0.743	77%	0.774	S	S	*	*			trans	-79	140.5	164	-177.6	18.1	0	0	0	113
2911	I	34	Very low	29.9	Very low	143 Å²	143	149.8 Å²	149.8	73%	0.733	77%	0.771	S	S	*	*			trans	157.7	112.6	146.6	-82	158.5	0	0	0	113.6
2912	N	29.7	Very low	29.8	Very low	138 Å²	138	151.1 Å²	151.1	74%	0.738	77%	0.774	S	S	*	*			trans	11.8	126.6	149.9	-68.9	-41.5	0	0	0	121
2913	K	32.1	Very low	30	Very low	179.333 Å²	179.333	149.2 Å²	149.2	78%	0.78	78%	0.777	S	S	*	*				92.6	108.8	122.9	-117.4	170.6	-174.7	179.9	0	118.9
2914	N	29	Very low	30.2	Very low	150 Å²	150	146.8 Å²	146.8	80%	0.802	77%	0.773	S	S	*	*			trans	-142.1	132.4	133.7	-71.8	-3.6	0	0	0	112.2
2915	T	31.8	Very low	30.4	Very low	123 Å²	123	146.6 Å²	146.6	76%	0.755	78%	0.776	S	S	*	*				142.5	135.2	109	-68.4	0	0	0	0	111.5
2916	T	31	Very low	30.4	Very low	132.333 Å²	132.333	143.1 Å²	143.1	81%	0.812	77%	0.771	S	S	*	*			trans	-143.5	146	172.1	-15.9	0	0	0	0	108.9
2917	E	30.8	Very low	30.6	Very low	170.333 Å²	170.333	143.7 Å²	143.7	80%	0.796	77%	0.773	S	S	*	*			trans	-148.9	160.6	164.5	-69.1	175.7	129	0	0	114.3
2918	S	30.7	Very low	30.6	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	77%	0.771	S	S	*	*			trans	-172.6	148.6	140.5	89.4	0	0	0	0	111.7
2919	T	29.1	Very low	30.8	Very low	116.333 Å²	116.333	142.4 Å²	142.4	71%	0.714	77%	0.774	S	S	*	*			cis	-169.8	147.8	33.3	31.7	0	0	0	0	113
2920	H	34.7	Very low	30.6	Very low	164.667 Å²	164.667	143.4 Å²	143.4	76%	0.762	77%	0.771	S	S	*	*			trans	89.1	144.8	153	-92.3	-84.1	0	0	0	116.9
2921	N	31.8	Very low	30.8	Very low	131.667 Å²	131.667	142 Å²	142	70%	0.704	77%	0.768	S	S	*	*			trans	-117.7	140	144.7	-69.3	-23.8	0	0	0	115.5
2922	E	30.7	Very low	30.9	Very low	171.667 Å²	171.667	140 Å²	140	80%	0.802	76%	0.764	S	S	*	*			trans	-146.5	143.2	139.5	-81.7	179.8	133.7	0	0	113.8	K2924	E2922-K2924 PolarHBondContact O-N 3.17Å
2923	T	31.5	Very low	31.2	Very low	133.667 Å²	133.667	139 Å²	139	82%	0.82	77%	0.765	S	S	*	*				-133.4	127.1	118.5	-61.3	0	0	0	0	113.6
2924	K	29.7	Very low	31.1	Very low	184.333 Å²	184.333	136.5 Å²	136.5	80%	0.801	76%	0.764	S	S	*	*			trans	-78.5	143.9	176.7	-104.7	173.3	179.9	171.6	0	113	E2922	E2922-K2924 PolarHBondContact O-N 3.17Å
2925	V	31.3	Very low	30.9	Very low	135.667 Å²	135.667	134.9 Å²	134.9	82%	0.822	76%	0.764	S	S	*	*			trans	-175.6	137.3	145	171.9	0	0	0	0	111
2926	S	29.9	Very low	30.8	Very low	93 Å²	93	134.5 Å²	134.5	65%	0.65	76%	0.761	S	S	*	*			cis	-144.5	147.3	-49	-100.6	0	0	0	0	110.8	G2928	S2926-G2928 PolarHBondContact O-N 2.75Å
2927	H	30.5	Very low	30.7	Very low	183.333 Å²	183.333	134.4 Å²	134.4	85%	0.849	76%	0.76	S	S	*	*			trans	-57.2	111.6	174.1	-67	-83.1	0	0	0	113.5	I2929	H2927-I2929 HydrophobicContact CB-CG1 4.39Å
2928	G	31.2	Very low	30.6	Very low	71.6667 Å²	71.6667	131 Å²	131	74%	0.739	76%	0.755	S	S	*	*			trans	-136.8	113.8	145.2	0	0	0	0	0	110.3	S2926 F2930	S2926-G2928 PolarHBondContact O-N 2.75Å; G2928-F2930 PolarHBondContact O-N 3.01Å
2929	I	29.8	Very low	30.6	Very low	148 Å²	148	130.5 Å²	130.5	76%	0.759	76%	0.758	S	S	*	*			trans	-81.4	112.6	130.9	-60.1	173.6	0	0	0	109.8	H2927 T2931	H2927-I2929 HydrophobicContact CB-CG1 4.39Å; I2929-T2931 HydrophobicContact CG2-CG2 4.24Å; I2929-T2931 PolarHBondContact O-N 3.11Å; I2929-T2931 VanDerWaalsContact O-N 3.08Å
2930	F	27.6	Very low	30.6	Very low	193.667 Å²	193.667	131.5 Å²	131.5	85%	0.849	76%	0.759	S	S	*	*			trans	-65.8	112.3	146.6	-126.7	-105.3	0	0	0	112.5	G2928 P2932	G2928-F2930 PolarHBondContact O-N 3.01Å; F2930-P2932 HydrophobicContact CD1-CG 4.05Å; F2930-P2932 HydrophobicContact CE1-CB 3.95Å; F2930-P2932 HydrophobicContact CE1-CG 3.77Å; F2930-P2932 HydrophobicContact CZ-CB 4.43Å; F2930-P2932 WeakPolarHBondContact O-CD 3.11Å
2931	T	30.5	Very low	30.4	Very low	110.667 Å²	110.667	131.4 Å²	131.4	68%	0.679	76%	0.763	S	S	*	*			trans	-109.7	132.8	174.7	31.5	0	0	0	0	110.6	I2929	I2929-T2931 HydrophobicContact CG2-CG2 4.24Å; I2929-T2931 PolarHBondContact O-N 3.11Å; I2929-T2931 VanDerWaalsContact O-N 3.08Å
2932	P	35.8	Very low	30.4	Very low	101.667 Å²	101.667	130.4 Å²	130.4	66%	0.66	76%	0.762	S	S	*	*			trans	-86.6	160.2	176	36.3	-35.8	0	0	0	112.3	F2930 V2934	F2930-P2932 HydrophobicContact CD1-CG 4.05Å; F2930-P2932 HydrophobicContact CE1-CB 3.95Å; F2930-P2932 HydrophobicContact CE1-CG 3.77Å; F2930-P2932 HydrophobicContact CZ-CB 4.43Å; F2930-P2932 WeakPolarHBondContact O-CD 3.11Å; P2932-V2934 WeakPolarHBondContact O-CG2 3.28Å; P2932-V2934 PolarHBondContact O-N 2.89Å
2933	P	34.9	Very low	30.4	Very low	116.667 Å²	116.667	129.1 Å²	129.1	76%	0.758	76%	0.76	S	S	*	*			trans	-107.7	126.3	-174.7	32.6	-26.9	0	0	0	112.5	C2935	P2933-C2935 PolarHBondContact O-N 3.19Å; P2933-C2935 VanDerWaalsContact O-N 3.14Å
2934	V	29.8	Very low	30.4	Very low	125.667 Å²	125.667	128.2 Å²	128.2	76%	0.762	76%	0.755	S	S	*	*			trans	-51.8	109.2	161.3	-170.1	0	0	0	0	113.5	P2932 V2936	P2932-V2934 WeakPolarHBondContact O-CG2 3.28Å; P2932-V2934 PolarHBondContact O-N 2.89Å; V2934-V2936 VanDerWaalsContact C-N 3.3Å; V2934-V2936 HydrophobicContact CB-CG2 4.42Å; V2934-V2936 HydrophobicContact CG1-CB 4.23Å; V2934-V2936 HydrophobicContact CG1-CG1 3.7Å; V2934-V2936 HydrophobicContact CG1-CG2 3.82Å; V2934-V2936 PolarHBondContact O-N 2.8Å
2935	C	26.5	Very low	30.6	Very low	116.333 Å²	116.333	124.5 Å²	124.5	79%	0.786	75%	0.748	S	S	*	*			trans	-57.9	104.3	166.5	-69.8	0	0	0	0	113.2	P2933 T2937	P2933-C2935 PolarHBondContact O-N 3.19Å; P2933-C2935 VanDerWaalsContact O-N 3.14Å; C2935-T2937 VanDerWaalsContact C-N 3.28Å; C2935-T2937 PolarHBondContact O-N 3.12Å
2936	V	28.7	Very low	30.8	Very low	114.333 Å²	114.333	125.5 Å²	125.5	69%	0.693	74%	0.743	S	S	*	*			trans	-104.5	111.8	138.6	-154.5	0	0	0	0	110.6	V2934 S2938	V2934-V2936 VanDerWaalsContact C-N 3.3Å; V2934-V2936 HydrophobicContact CB-CG2 4.42Å; V2934-V2936 HydrophobicContact CG1-CB 4.23Å; V2934-V2936 HydrophobicContact CG1-CG1 3.7Å; V2934-V2936 HydrophobicContact CG1-CG2 3.82Å; V2934-V2936 PolarHBondContact O-N 2.8Å; V2936-S2938 VanDerWaalsContact C-N 3.32Å; V2936-S2938 PolarHBondContact O-N 2.79Å
2937	T	29.6	Very low	30.9	Very low	131.333 Å²	131.333	127.8 Å²	127.8	81%	0.806	75%	0.748	S	S	*	*			trans	-65.9	107.2	167.3	44.5	0	0	0	0	111.3	C2935 A2939	C2935-T2937 VanDerWaalsContact C-N 3.28Å; C2935-T2937 PolarHBondContact O-N 3.12Å; T2937-A2939 PolarHBondContact O-N 3.29Å
2938	S	29.1	Very low	30.8	Very low	97.6667 Å²	97.6667	129 Å²	129	68%	0.683	75%	0.745	S	S	*	*			trans	-96.1	111.6	148.6	-51.3	0	0	0	0	112.6	V2936 N2940	V2936-S2938 VanDerWaalsContact C-N 3.32Å; V2936-S2938 PolarHBondContact O-N 2.79Å; S2938-N2940 PolarHBondContact O-N 3Å
2939	A	30.6	Very low	30.8	Very low	99 Å²	99	131.8 Å²	131.8	82%	0.818	74%	0.743	S	S	*	*			trans	-54	88.4	159.8	0	0	0	0	0	114.3	T2937 L2941	T2937-A2939 PolarHBondContact O-N 3.29Å; A2939-L2941 PolarHBondContact O-N 3.41Å
2940	N	28.8	Very low	30.9	Very low	137 Å²	137	130 Å²	130	73%	0.733	74%	0.738	S	S	*	*			trans	-73.9	98.8	170.7	-141.3	11	0	0	0	114.5	S2938 T2942	S2938-N2940 PolarHBondContact O-N 3Å; N2940-T2942 PolarHBondContact O-OG1 3.34Å
2941	L	30.8	Very low	31	Very low	162.667 Å²	162.667	126.8 Å²	126.8	85%	0.852	74%	0.735	S	S	*	*			trans	-90.8	113.5	157.8	-105.2	70.2	0	0	0	110.3	A2939	A2939-L2941 PolarHBondContact O-N 3.41Å
2942	T	30.5	Very low	31.1	Very low	109.667 Å²	109.667	125.9 Å²	125.9	67%	0.673	74%	0.739	S	S	*	*				-53.2	142.1	97.3	47.1	0	0	0	0	112.4	N2940	N2940-T2942 PolarHBondContact O-OG1 3.34Å
2943	N	30.3	Very low	30.8	Very low	145 Å²	145	126.7 Å²	126.7	78%	0.775	74%	0.742	S	S	*	*			trans	-142.6	133.4	151.5	-80.3	-12.2	0	0	0	113.4
2944	T	32.4	Very low	30.7	Very low	114.667 Å²	114.667	128.9 Å²	128.9	70%	0.703	74%	0.742	S	S	*	*				171.3	159	70.7	-4.5	0	0	0	0	115
2945	T	33	Very low	30.8	Very low	106 Å²	106	130.2 Å²	130.2	65%	0.65	74%	0.74	S	S	*	*			trans	-10.5	144.3	160	50.4	0	0	0	0	116.3
2946	H	35.7	Very low	31.1	Very low	157.667 Å²	157.667	131.1 Å²	131.1	73%	0.73	74%	0.736	S	S	*	*				-161.6	131.9	75.9	-106.4	-57.2	0	0	0	112.6
2947	N	32.2	Very low	31.2	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	74%	0.735	S	S	*	*			trans	3	132.3	141.3	-94.1	-6.1	0	0	0	116.9
2948	R	28.6	Very low	31.3	Very low	207.667 Å²	207.667	130.6 Å²	130.6	78%	0.784	73%	0.728	S	S	*	*				105.1	132.2	112.2	-170.7	-176.5	-177.5	-161.7	1.1	114.6
2949	L	31.9	Very low	31.3	Very low	130.333 Å²	130.333	132.6 Å²	132.6	68%	0.682	74%	0.737	S	S	*	*			trans	72	134.4	158.8	-102.5	55.9	0	0	0	118
2950	T	32	Very low	31.2	Very low	109.333 Å²	109.333	133 Å²	133	67%	0.671	73%	0.733	S	S	*	*			cis	171.5	144.8	12.7	11.5	0	0	0	0	115.1
2951	T	29.3	Very low	31.2	Very low	127.667 Å²	127.667	132.8 Å²	132.8	78%	0.783	74%	0.737	S	S	*	*			trans	25.9	125.7	140.6	14	0	0	0	0	120.2
2952	A	32.6	Very low	31.1	Very low	92 Å²	92	130.9 Å²	130.9	76%	0.76	73%	0.732	S	S	*	*				177.6	150.1	109	0	0	0	0	0	116
2953	T	29.7	Very low	31.1	Very low	117 Å²	117	130.5 Å²	130.5	72%	0.718	73%	0.733	S	S	*	*			trans	-126.9	135	151.7	37.5	0	0	0	0	111.2
2954	H	33.3	Very low	31.1	Very low	164 Å²	164	129.4 Å²	129.4	76%	0.759	73%	0.732	S	S	*	*			trans	162.2	148.1	137	-84.5	-72.8	0	0	0	110.8
2955	Q	31.2	Very low	30.9	Very low	152.667 Å²	152.667	129.9 Å²	129.9	71%	0.713	74%	0.739	S	S	*	*			cis	171.9	157.9	20.7	-96.2	176.6	12.6	0	0	112.6
2956	L	32.4	Very low	30.8	Very low	136.333 Å²	136.333	130.2 Å²	130.2	71%	0.714	75%	0.745	S	S	*	*				85.3	159.4	122.7	-80.1	167.6	0	0	0	115.7
2957	N	30.5	Very low	30.5	Very low	125.667 Å²	125.667	129.4 Å²	129.4	67%	0.672	75%	0.752	S	S	*	*			cis	-166.3	148.8	-22.5	-129.8	11.6	0	0	0	115
2958	T	32.1	Very low	30.4	Very low	108.333 Å²	108.333	127.3 Å²	127.3	67%	0.665	75%	0.753	S	S	*	*			trans	19.8	144.8	142.4	52.6	0	0	0	0	118.8
2959	T	29.2	Very low	30.4	Very low	140 Å²	140	125.4 Å²	125.4	86%	0.859	75%	0.754	S	S	*	*			trans	-155.4	150.5	147	38.4	0	0	0	0	116
2960	S	28.9	Very low	30.3	Very low	106.667 Å²	106.667	126.4 Å²	126.4	75%	0.746	76%	0.759	S	S	*	*			trans	95.4	137.4	165.9	177.6	0	0	0	0	115.9
2961	V	29.4	Very low	30.5	Very low	134.333 Å²	134.333	126.3 Å²	126.3	81%	0.814	76%	0.76	S	S	*	*				-157.1	150.1	107.9	-173.1	0	0	0	0	111
2962	V	29	Very low	30.5	Very low	121.667 Å²	121.667	129 Å²	129	74%	0.737	76%	0.761	S	S	*	*			trans	64	128.8	177.2	161.1	0	0	0	0	116
2963	S	29.4	Very low	30.5	Very low	100.667 Å²	100.667	131.7 Å²	131.7	70%	0.704	76%	0.763	S	S	*	*			trans	105.9	142.3	138.4	-92	0	0	0	0	119.9
2964	T	31.1	Very low	30.5	Very low	123.333 Å²	123.333	132.9 Å²	132.9	76%	0.757	77%	0.765	S	S	*	*				48.7	138.6	111.6	52.6	0	0	0	0	119.2
2965	C	27.2	Very low	30.4	Very low	125 Å²	125	132 Å²	132	85%	0.845	76%	0.764	S	S	*	*			trans	-72.6	135.6	164.8	-57.4	0	0	0	0	113.9
2966	S	31	Very low	30.2	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	77%	0.77	S	S	*	*				174	143.3	109	-65	0	0	0	0	113.7
2967	V	28.9	Very low	30.1	Very low	141.667 Å²	141.667	133.9 Å²	133.9	86%	0.859	77%	0.769	S	S	*	*			trans	18.8	124.5	167.3	-171.8	0	0	0	0	115.3
2968	A	30.1	Very low	29.9	Very low	96.3333 Å²	96.3333	134.5 Å²	134.5	80%	0.796	77%	0.773	S	S	*	*				-160.7	132.1	112.3	0	0	0	0	0	112.5
2969	Q	29.1	Very low	29.8	Very low	168.667 Å²	168.667	134 Å²	134	79%	0.788	77%	0.774	S	S	*	*			trans	-146.3	107.9	165.1	-175.9	176.9	-23.1	0	0	115.2
2970	L	30	Very low	29.7	Very low	150.667 Å²	150.667	134.2 Å²	134.2	79%	0.789	77%	0.769	S	S	*	*			trans	90.5	160	154.5	-69	176.9	0	0	0	115.6	F2972	L2970-F2972 HydrophobicContact CD2-CD2 4.41Å
2971	P	36.4	Very low	29.8	Very low	107.667 Å²	107.667	135.3 Å²	135.3	70%	0.699	77%	0.765	S	S	*	*			cis	-132.3	176.8	-24.5	40.1	-24.1	0	0	0	114.6
2972	F	29.2	Very low	29.9	Very low	184.667 Å²	184.667	136 Å²	136	81%	0.81	77%	0.765	S	S	*	*			trans	-64.3	131.3	162.8	-72.5	-88.6	0	0	0	113.6	L2970	L2970-F2972 HydrophobicContact CD2-CD2 4.41Å
2973	N	33.4	Very low	29.8	Very low	147.333 Å²	147.333	136.5 Å²	136.5	79%	0.788	76%	0.763	S	S	*	*			trans	-158.8	127.3	131.2	-128	-8.1	0	0	0	112.5	I2975	N2973-I2975 PolarHBondContact O-N 3.16Å
2974	N	29.5	Very low	30	Very low	142.333 Å²	142.333	137.5 Å²	137.5	76%	0.761	77%	0.766	S	S	*	*			trans	-56.6	120.4	162.6	-83.6	-14.4	0	0	0	115.3	Y2976	N2974-Y2976 PolarHBondContact O-N 2.87Å
2975	I	30.3	Very low	29.9	Very low	146.333 Å²	146.333	135.8 Å²	135.8	75%	0.75	76%	0.759	S	S	*	*			trans	-129.7	114.1	148.3	-66.5	180	0	0	0	113.7	N2973 V2977	N2973-I2975 PolarHBondContact O-N 3.16Å; I2975-V2977 HydrophobicContact CG2-CG2 3.41Å; I2975-V2977 VanDerWaalsContact CG2-CG2 3.41Å; I2975-V2977 PolarHBondContact O-N 3.35Å
2976	Y	28.1	Very low	30.1	Very low	211.667 Å²	211.667	139.9 Å²	139.9	83%	0.83	76%	0.758	S	S	*	*			trans	14.8	105	158.9	-115.1	-91.4	0	0	0	117.7	N2974 N2978	N2974-Y2976 PolarHBondContact O-N 2.87Å; Y2976-N2978 PolarHBondContact O-N 2.91Å
2977	V	28.9	Very low	30.1	Very low	116.333 Å²	116.333	142.7 Å²	142.7	71%	0.705	76%	0.758	S	S	*	*			trans	13.2	104.6	155.3	-166.9	0	0	0	0	115.4	I2975 S2979	I2975-V2977 HydrophobicContact CG2-CG2 3.41Å; I2975-V2977 VanDerWaalsContact CG2-CG2 3.41Å; I2975-V2977 PolarHBondContact O-N 3.35Å; V2977-S2979 VanDerWaalsContact CG1-OG 3.22Å; V2977-S2979 WeakPolarHBondContact CG1-OG 3.29Å; V2977-S2979 PolarHBondContact O-N 2.85Å
2978	N	27	Very low	30.2	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	76%	0.756	S	S	*	*				-147.9	136.6	109.2	-160.6	4.7	0	0	0	112.3	Y2976 N2980	Y2976-N2978 PolarHBondContact O-N 2.91Å; N2978-N2980 VanDerWaalsContact C-N 3.35Å; N2978-N2980 PolarHBondContact O-N 2.85Å
2979	S	30.1	Very low	30.4	Very low	98.6667 Å²	98.6667	144.3 Å²	144.3	69%	0.69	75%	0.748	S	S	*	*			trans	-22.5	115.5	165.7	-62.9	0	0	0	0	116.9	V2977	V2977-S2979 VanDerWaalsContact CG1-OG 3.22Å; V2977-S2979 WeakPolarHBondContact CG1-OG 3.29Å; V2977-S2979 PolarHBondContact O-N 2.85Å
2980	N	26.8	Very low	30.5	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	75%	0.748	S	S	*	*				-170.4	138.2	117	-156.9	9.2	0	0	0	115.7	N2978	N2978-N2980 VanDerWaalsContact C-N 3.35Å; N2978-N2980 PolarHBondContact O-N 2.85Å
2981	I	30.5	Very low	30.6	Very low	129 Å²	129	144.2 Å²	144.2	66%	0.662	74%	0.744	S	S	*	*			trans	78.8	118	166.5	-44.3	178.7	0	0	0	117	N2983	I2981-N2983 HydrophobicContact CG2-CB 4.18Å
2982	N	31.4	Very low	30.3	Very low	149.333 Å²	149.333	145.5 Å²	145.5	80%	0.799	74%	0.744	S	S	*	*			trans	136.7	120.9	132.6	-82.4	-32.2	0	0	0	114.9
2983	N	28.2	Very low	30.5	Very low	132 Å²	132	144.5 Å²	144.5	71%	0.706	74%	0.742	S	S	*	*				-155.6	148	53	-156.2	3.2	0	0	0	109.8	I2981	I2981-N2983 HydrophobicContact CG2-CB 4.18Å
2984	T	32.7	Very low	30.4	Very low	123 Å²	123	142.9 Å²	142.9	76%	0.755	74%	0.743	S	S	*	*			trans	94.2	154.2	147.6	59.8	0	0	0	0	115.7
2985	S	29.7	Very low	30.5	Very low	88 Å²	88	139.5 Å²	139.5	62%	0.615	74%	0.742	S	S	*	*			cis	163.2	131.7	-29.2	-173.1	0	0	0	0	112.5
2986	Y	30.5	Very low	30.4	Very low	210 Å²	210	138.3 Å²	138.3	82%	0.824	75%	0.745	S	S	*	*			trans	58.7	133.6	147	-64.4	-64.6	0	0	0	115.4
2987	Q	31.8	Very low	30.6	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.794	74%	0.742	S	S	*	*			cis	-155.9	138.1	44.6	-84.7	179.4	15.2	0	0	114.6
2988	H	30.1	Very low	30.7	Very low	175.333 Å²	175.333	136 Å²	136	81%	0.812	75%	0.746	S	S	*	*				87.6	152.3	77.3	-132	-127.4	0	0	0	114.8
2989	P	35.2	Very low	30.8	Very low	97 Å²	97	134.3 Å²	134.3	63%	0.63	75%	0.745	S	S	*	*			trans	-119.8	-174.3	-145.1	40	-26.8	0	0	0	115.4
2990	K	31.1	Very low	30.7	Very low	180.333 Å²	180.333	137.9 Å²	137.9	78%	0.784	75%	0.751	S	S	*	*				120.2	140	126.4	-95.7	175.1	-178.4	-179.2	0	118.9
2991	I	31.6	Very low	30.9	Very low	136.333 Å²	136.333	135.9 Å²	135.9	70%	0.699	75%	0.748	S	S	*	*			trans	80.3	110	140.7	-66.9	165.3	0	0	0	118.9
2992	L	31.2	Very low	31	Very low	136 Å²	136	134.6 Å²	134.6	71%	0.712	75%	0.745	S	S	*	*				63.3	138.7	119.1	-71	146	0	0	0	118.5
2993	Q	31.8	Very low	30.9	Very low	163 Å²	163	132.8 Å²	132.8	76%	0.762	74%	0.74	S	S	*	*				96.8	152.4	75.5	-91.8	173.5	-38.7	0	0	114.6
2994	S	32.1	Very low	30.9	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	74%	0.739	S	S	*	*			cis	164.1	153.1	15.8	52.6	0	0	0	0	116.1
2995	G	31.2	Very low	30.6	Very low	72 Å²	72	131.6 Å²	131.6	74%	0.742	74%	0.742	S	S	*	*			trans	117.3	130	159.9	0	0	0	0	0	114.9
2996	C	28.7	Very low	30.6	Very low	120.667 Å²	120.667	133.7 Å²	133.7	82%	0.815	75%	0.751	S	S	*	*			cis	175.5	154.7	41.6	-103.3	0	0	0	0	110.1
2997	T	31.5	Very low	30.4	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	75%	0.75	S	S	*	*			cis	177.7	163.5	41.3	-5	0	0	0	0	114.3
2998	I	30.9	Very low	30.2	Very low	153.667 Å²	153.667	128.8 Å²	128.8	79%	0.788	75%	0.75	S	S	*	*			trans	-177.8	127.6	151.8	-79.7	162.4	0	0	0	114.4
2999	S	29.6	Very low	30.3	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	75%	0.748	S	S	*	*			trans	83	124.5	149.8	65.3	0	0	0	0	119.2
3000	E	28.6	Very low	30	Very low	176 Å²	176	126.4 Å²	126.4	82%	0.822	75%	0.749	S	S	*	*			trans	97.1	148.2	130.3	-77.3	175.8	173.5	0	0	116.4
3001	S	31.6	Very low	30.1	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	75%	0.749	S	S	*	*				-160.1	131.8	80.1	56.3	0	0	0	0	114.1
3002	V	30.6	Very low	29.9	Very low	100 Å²	100	126.1 Å²	126.1	61%	0.606	75%	0.752	S	S	*	*			trans	48.3	137	137.4	-168.3	0	0	0	0	120.7	N2763	N2763-V3002 HydrophobicContact CB-CG1 4.05Å; N2763-V3002 HydrophobicContact CB-CG2 4.36Å; N2763-V3002 WeakPolarHBondContact OD1-CG1 3.39Å; N2763-V3002 WeakPolarHBondContact OD1-CG2 3.36Å
3003	T	31.1	Very low	30	Very low	112 Å²	112	130.2 Å²	130.2	69%	0.687	76%	0.759	S	S	*	*				136.4	139.5	65	22.9	0	0	0	0	114.4
3004	S	28.2	Very low	30.5	Very low	97.5 Å²	97.5	127.3 Å²	127.3	68%	0.682	75%	0.754	S	S	*	*				119.5	142.7	58.5	56.9	0	0	0	0	115.6
3005	T	26	Very low	30.3	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	76%	0.757	S	S	*	*			trans	-34.6	155.6	165.1	52.6	0	0	0	0	116.8
3006	T	28.2	Very low	30.2	Very low	131 Å²	131	133.5 Å²	133.5	80%	0.804	76%	0.756	S	S	*	*			trans	-126.9	166.2	147.7	32.3	0	0	0	0	114.1
3007	N	27.4	Very low	30.4	Very low	148.5 Å²	148.5	133.7 Å²	133.7	79%	0.794	75%	0.753	S	S	*	*			trans	1.1	159.5	157	-72.3	-23.3	0	0	0	116.1
3008	T	27.5	Very low	30.3	Very low	130.5 Å²	130.5	131.6 Å²	131.6	80%	0.801	75%	0.749	S	S	*	*			trans	-22.1	148.8	166.5	49.6	0	0	0	0	115.9
3009	T	31.1	Very low	30.3	Very low	127 Å²	127	132.6 Å²	132.6	78%	0.779	75%	0.753	S	S	*	*			trans	-170	115.3	134.9	-70.1	0	0	0	0	110.9
3010	S	30.1	Very low	30.2	Very low	93 Å²	93	135.7 Å²	135.7	65%	0.65	76%	0.756	S	S	*	*			trans	36.9	133.5	145.1	-47.4	0	0	0	0	121.6
3011	Q	32.2	Very low	30.3	Very low	168 Å²	168	132.9 Å²	132.9	79%	0.785	76%	0.756	S	S	*	*				-160.6	154.9	60.7	-81.6	-64.9	6.8	0	0	114.3
3012	L	29	Very low	30.2	Very low	142.5 Å²	142.5	132 Å²	132	75%	0.746	76%	0.755	S	S	*	*			trans	151.9	134.6	159.5	-79.2	166.5	0	0	0	118.4
3013	Y	31.6	Very low	30.6	Very low	222 Å²	222	132.3 Å²	132.3	87%	0.871	76%	0.759	S	S	*	*			trans	132.8	162	142.2	-93.4	-76.4	0	0	0	116.4
3014	P	42.3	Very low	30.7	Very low	102.5 Å²	102.5	135.3 Å²	135.3	67%	0.666	77%	0.767	S	S	*	*			trans	-132.5	-169.4	-140.2	41.4	-21.2	0	0	0	115.8
3015	L	29.6	Very low	30.8	Very low	161 Å²	161	141.5 Å²	141.5	84%	0.843	78%	0.775	S	S	*	*			trans	139.6	150.2	147.3	-118.5	67.3	0	0	0	114.1
3016	Q	28.7	Very low	31.3	Very low	155.5 Å²	155.5	140 Å²	140	73%	0.727	77%	0.768	S	S	*	*				-107.8	146.7	-98.7	-168.6	73.9	-5.2	0	0	113.3
3017	T	32.3	Very low	31.3	Very low	124 Å²	124	141.8 Å²	141.8	76%	0.761	77%	0.767	S	S	*	*			trans	-70.1	133.5	144.5	-34	0	0	0	0	114.4
3018	A	28.7	Very low	31.4	Very low	83 Å²	83	142 Å²	142	69%	0.686	77%	0.767	S	S	*	*				148.5	149.5	113.4	0	0	0	0	0	114.4
3019	M	31.6	Very low	31.5	Very low	174.5 Å²	174.5	140 Å²	140	86%	0.86	76%	0.764	S	S	*	*			trans	142.8	142.4	168	-56.8	-173.1	74.3	0	0	110.9
3020	E	27	Very low	31.5	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	76%	0.761	S	S	*	*			cis	134.5	136.7	-3.7	-169.8	166.9	136.6	0	0	112
3021	S	30.9	Very low	31.4	Very low	116.5 Å²	116.5	140.4 Å²	140.4	82%	0.815	77%	0.766	S	S	*	*			trans	136.3	126.4	155.5	69	0	0	0	0	114.1
3022	A	31.1	Very low	31.4	Very low	84 Å²	84	138.3 Å²	138.3	69%	0.694	77%	0.765	S	S	*	*				-124.5	-169.1	-119.6	0	0	0	0	0	106.8
3023	P	38.7	Very low	31.5	Very low	107 Å²	107	136.9 Å²	136.9	70%	0.695	76%	0.762	S	S	*	*			trans	-127.3	170.8	140.6	24.4	-0.6	0	0	0	114.5
3024	M	31.6	Very low	31.5	Very low	174.5 Å²	174.5	131.6 Å²	131.6	86%	0.86	75%	0.753	S	S	*	*				-166.6	162.4	91.9	-89.4	-64.8	152.8	0	0	115.4
3025	R	30.5	Very low	31	Very low	226.5 Å²	226.5	131.9 Å²	131.9	86%	0.855	75%	0.753	S	S	*	*			trans	-105.1	-170.6	174.5	-107.6	178.1	168.2	170.4	-4.7	108.3
3026	P	37.5	Very low	31	Very low	102 Å²	102	130.9 Å²	130.9	66%	0.662	75%	0.749	S	S	*	*			cis	-138	171.1	-9.8	36.1	-16.3	0	0	0	116.7
3027	H	27.9	Very low	31	Very low	168.5 Å²	168.5	127.9 Å²	127.9	78%	0.78	75%	0.745	S	S	*	*			trans	54.4	144.2	137.2	-114.6	-91.3	0	0	0	121.2
3028	L	28.9	Very low	30.9	Very low	154 Å²	154	127.4 Å²	127.4	81%	0.806	74%	0.742	S	S	*	*				162.1	-179.6	74.5	-150.3	69.3	0	0	0	117
3029	A	29.8	Very low	30.9	Very low	87 Å²	87	130.3 Å²	130.3	72%	0.719	74%	0.744	S	S	*	*			trans	-15.8	153.2	-173.7	0	0	0	0	0	116.3
3030	S	30.6	Very low	30.8	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	74%	0.738	S	S	*	*				145	118	74.1	-12	0	0	0	0	114.5
3031	V	28.6	Very low	30.8	Very low	126 Å²	126	124 Å²	124	76%	0.764	73%	0.731	S	S	*	*				66	129.9	94.6	174.3	0	0	0	0	116.8
3032	T	31.6	Very low	30.6	Very low	123 Å²	123	125.1 Å²	125.1	76%	0.755	73%	0.727	S	S	*	*			trans	68.9	149.2	165.3	43.1	0	0	0	0	118.2
3033	T	31.5	Very low	30.4	Very low	113 Å²	113	125.5 Å²	125.5	69%	0.693	73%	0.726	S	S	*	*			cis	-161.6	156.4	-3.1	-66.8	0	0	0	0	109.6
3034	V	31.7	Very low	29.8	Very low	112 Å²	112	126.3 Å²	126.3	68%	0.679	73%	0.733	S	S	*	*			cis	-25.8	-159.3	48.1	175.3	0	0	0	0	111.9
3035	T	31.9	Very low	29.6	Very low	108 Å²	108	122.6 Å²	122.6	66%	0.663	73%	0.725	S	S	*	*			cis	-166.5	157.3	-5.9	-8.5	0	0	0	0	109.7
3036	N	30	Very low	29.3	Very low	140 Å²	140	119 Å²	119	75%	0.749	72%	0.721	S	S	*	*	S	Bend		-26.4	130.7	56.6	-56	-20.5	0	0	0	113.3
3037	S	29.6	Very low	28.9	Very low	93 Å²	93	121.1 Å²	121.1	65%	0.65	73%	0.725	S	S	*	*				128.7	129.2	83	-56.8	0	0	0	0	113.4
3038	T	29.9	Very low	28.8	Very low	112 Å²	112	117.7 Å²	117.7	69%	0.687	72%	0.72	S	S	*	*			cis	133	141.9	35.3	-7.2	0	0	0	0	112.7
3039	I	29	Very low	28.7	Very low	144.5 Å²	144.5	116.4 Å²	116.4	74%	0.741	72%	0.719	S	S	*	*			trans	73.6	121.3	151.2	-60.4	165.4	0	0	0	116.5
3040	T	28.6	Very low	28.6	Very low	117.5 Å²	117.5	116.5 Å²	116.5	72%	0.721	72%	0.72	S	S	*	*				148.9	138.5	72.7	23.8	0	0	0	0	119.8
3041	S	27.3	Very low	28.5	Very low	90 Å²	90	117.2 Å²	117.2	63%	0.629	72%	0.724	S	S	*	*			trans	17.8	138.9	134.8	59.1	0	0	0	0	119.3
3042	N	26	Very low	28.5	Very low	140 Å²	140	117.6 Å²	117.6	75%	0.749	72%	0.721	S	S	*	*				130.3	128	120.8	-80.8	-14.8	0	0	0	116.9
3043	S	26.9	Very low	28.4	Very low	94 Å²	94	119.1 Å²	119.1	66%	0.657	72%	0.72	S	S	*	*				74.9	127.6	95.4	-58.6	0	0	0	0	117.5
3044	S	26.3	Very low	28.2	Very low	122 Å²	122	118.4 Å²	118.4	85%	0.853	72%	0.72	S	S	*	*			trans	69.9	163.2	157.8	-26.4	0	0	0	0	116.6
3045	S	26.5	Very low	28.1	Very low	97.5 Å²	97.5	120 Å²	120	68%	0.682	72%	0.724	S	S	*	*				-134.2	159	-86.3	47	0	0	0	0	112.6
3046	I	26.1	Very low	27.9	Very low	151 Å²	151	121.1 Å²	121.1	77%	0.774	73%	0.726	S	S	*	*			trans	69.2	138.9	145.1	-39.9	175.7	0	0	0	118.3
3047	I	27.8	Very low	28	Very low	145.5 Å²	145.5	120.4 Å²	120.4	75%	0.746	73%	0.726	S	S	*	*			trans	80.6	93.5	161.5	-59.5	175.2	0	0	0	118.4
3048	S	26.2	Very low	28.2	Very low	97.5 Å²	97.5	120 Å²	120	68%	0.682	73%	0.729	S	S	*	*				37.5	143	122.3	-45.8	0	0	0	0	122.8
3049	T	26.6	Very low	28.5	Very low	126.5 Å²	126.5	120 Å²	120	78%	0.776	73%	0.731	S	S	*	*			trans	59.6	117.5	145.1	50.7	0	0	0	0	119.3
3050	A	27.9	Very low	28.4	Very low	90 Å²	90	118.5 Å²	118.5	74%	0.744	73%	0.728	S	S	*	*				116.7	141.3	83	0	0	0	0	0	110.9
3051	C	28.4	Very low	28.4	Very low	118.5 Å²	118.5	122.2 Å²	122.2	80%	0.801	74%	0.735	S	S	*	*				72.7	85.8	126.7	-55.8	0	0	0	0	112.6
3052	D	28.1	Very low	28.5	Very low	134 Å²	134	122.3 Å²	122.3	72%	0.717	74%	0.741	S	S	*	*				122.9	156.3	86.9	-141.3	19.1	0	0	0	111.4
3053	Q	29.8	Very low	28.7	Very low	154 Å²	154	120.9 Å²	120.9	72%	0.72	74%	0.742	S	S	*	*				144.5	135.4	94.7	-95.6	144.5	63.2	0	0	110.9
3054	S	28.6	Very low	28.9	Very low	99.5 Å²	99.5	122.2 Å²	122.2	70%	0.696	75%	0.749	S	S	*	*				145.9	135.7	54.1	75	0	0	0	0	115
3055	L	29.2	Very low	29.3	Very low	145.5 Å²	145.5	119.7 Å²	119.7	76%	0.762	74%	0.743	S	S	*	*			trans	113.3	115.2	148	-72.9	164.1	0	0	0	112.9
3056	N	28.1	Very low	29.6	Very low	131 Å²	131	123 Å²	123	70%	0.701	75%	0.745	S	S	*	*			cis	137.3	147	45.8	-113.3	-5.8	0	0	0	113.6
3057	T	31.2	Very low	29.8	Very low	124 Å²	124	125.4 Å²	125.4	76%	0.761	75%	0.746	S	S	*	*			trans	74.9	108.9	135.2	-18	0	0	0	0	118.8
3058	A	33.7	Very low	30	Very low	86.5 Å²	86.5	124.1 Å²	124.1	72%	0.715	75%	0.745	S	S	*	*			trans	-14.4	177.2	138.3	0	0	0	0	0	114.9
3059	P	36.9	Very low	30.2	Very low	112 Å²	112	126.6 Å²	126.6	73%	0.727	75%	0.751	S	S	*	*				-112	-179.4	88.8	36.3	-23.8	0	0	0	114.6
3060	V	26.6	Very low	30.4	Very low	113 Å²	113	126.4 Å²	126.4	69%	0.685	75%	0.749	S	S	*	*			trans	54.1	132.5	163.7	-127.3	0	0	0	0	120
3061	F	27.5	Very low	30.6	Very low	194.5 Å²	194.5	127.8 Å²	127.8	85%	0.853	75%	0.748	S	S	*	*			trans	122.4	155.2	130.7	-87.6	-61.1	0	0	0	117.7
3062	A	31.3	Very low	30.9	Very low	91 Å²	91	127.3 Å²	127.3	75%	0.752	74%	0.744	S	S	*	*			trans	67.7	123.8	156.4	0	0	0	0	0	119.5
3063	S	29.4	Very low	31.2	Very low	111.5 Å²	111.5	127 Å²	127	78%	0.78	75%	0.747	S	S	*	*				-112.3	153.8	64.3	-148	0	0	0	0	111.1
3064	C	31.1	Very low	31.5	Very low	120.5 Å²	120.5	124.7 Å²	124.7	81%	0.814	75%	0.745	S	S	*	*			cis	179.6	121.8	43.6	-137.7	0	0	0	0	112.5
3065	G	34	Very low	31.5	Very low	69.5 Å²	69.5	127.3 Å²	127.3	72%	0.716	75%	0.75	S	S	*	*			trans	110.7	133.6	145.5	0	0	0	0	0	119
3066	K	33.7	Very low	31.6	Very low	168 Å²	168	124.5 Å²	124.5	73%	0.73	74%	0.742	S	S	*	*				-169.4	134.7	50.6	-107.2	171.4	-176.5	177.5	0	111.3
3067	Y	30.4	Very low	31.7	Very low	200 Å²	200	125.6 Å²	125.6	78%	0.784	74%	0.743	S	S	*	*	S	Bend	trans	57.2	133	159	-52.3	-50.3	0	0	0	118.4
3068	T	32.3	Very low	31.8	Very low	118.5 Å²	118.5	127.3 Å²	127.3	73%	0.727	74%	0.742	S	S	*	*	S	Bend	cis	-157.7	137.8	-11	36.1	0	0	0	0	110.1
3069	N	28.8	Very low	31.7	Very low	151.5 Å²	151.5	127.8 Å²	127.8	81%	0.81	74%	0.74	S	S	*	*			trans	54.6	137.3	147.2	-109.3	6.3	0	0	0	120.1
3070	V	32.7	Very low	31.6	Very low	121 Å²	121	127.5 Å²	127.5	73%	0.733	74%	0.741	S	S	*	*				75.3	103.6	122.6	-162.5	0	0	0	0	115.2
3071	T	31.1	Very low	31.9	Very low	119 Å²	119	129.4 Å²	129.4	73%	0.73	75%	0.746	S	S	*	*				13.7	155.7	117.4	-27.3	0	0	0	0	113.2
3072	P	35.6	Very low	32.3	Very low	108.5 Å²	108.5	126.2 Å²	126.2	71%	0.705	74%	0.743	S	S	*	*				-114.1	149	-97.6	34.8	-24.5	0	0	0	115
3073	T	33	Very low	32.5	Very low	129 Å²	129	125.8 Å²	125.8	79%	0.791	74%	0.735	S	S	*	*			trans	135.5	173.2	155.1	34	0	0	0	0	113.9
3074	P	37.5	Very low	32.8	Very low	104.5 Å²	104.5	128.7 Å²	128.7	68%	0.679	74%	0.736	S	S	*	*				-112.6	-169.4	-110.3	38.9	-32.5	0	0	0	114.7
3075	I	28.4	Very low	33.1	Very low	154 Å²	154	127.5 Å²	127.5	79%	0.79	73%	0.728	S	S	*	*			trans	80.7	120.7	162.1	-66.4	171.5	0	0	0	115.1
3076	S	29.5	Very low	33	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	73%	0.734	S	S	*	*				82	129.2	114.3	-131.5	0	0	0	0	116.7
3077	Q	30.7	Very low	32.9	Very low	156 Å²	156	131.8 Å²	131.8	73%	0.729	73%	0.732	S	S	*	*				128.3	144.1	71	-97.4	166.9	2.1	0	0	115.6
3078	H	33.5	Very low	33	Very low	158.5 Å²	158.5	127.7 Å²	127.7	73%	0.734	72%	0.724	S	S	*	*			trans	113.5	130.4	137.4	-78.9	-54.9	0	0	0	114.8
3079	S	32.2	Very low	33	Very low	97 Å²	97	127.9 Å²	127.9	68%	0.678	72%	0.721	S	S	*	*			cis	142.6	150.1	26.7	-102.1	0	0	0	0	111.3
3080	S	34.3	Very low	33.3	Very low	106.5 Å²	106.5	127 Å²	127	75%	0.745	72%	0.716	S	S	*	*				121.7	152.3	129.3	62.4	0	0	0	0	112.8
3081	L	33.8	Very low	33.3	Very low	151.5 Å²	151.5	128.3 Å²	128.3	79%	0.793	72%	0.717	S	S	*	*			cis	-145.7	156.1	-6.4	-93.5	129.1	0	0	0	110.4
3082	V	35.6	Very low	33.3	Very low	128 Å²	128	127.5 Å²	127.5	78%	0.776	72%	0.715	S	S	*	*			trans	62.3	132.4	143.3	165.7	0	0	0	0	118.8
3083	S	34.8	Very low	33.1	Very low	83.5 Å²	83.5	128.7 Å²	128.7	58%	0.584	72%	0.721	S	S	*	*			cis	-171.4	156.7	-7.1	-23.7	0	0	0	0	112.9
3084	H	36.5	Very low	32.9	Very low	172.5 Å²	172.5	127.4 Å²	127.4	80%	0.799	71%	0.713	S	S	*	*			trans	60.5	127.1	146.2	-70.4	-10.5	0	0	0	119.5
3085	S	36	Very low	32.7	Very low	93.5 Å²	93.5	130.8 Å²	130.8	65%	0.654	72%	0.717	S	S	*	*			cis	134.2	139.8	29.9	59.5	0	0	0	0	114.7
3086	Q	31.8	Very low	33	Very low	178 Å²	178	131.6 Å²	131.6	83%	0.832	72%	0.717	S	S	*	*			trans	2	143	157.1	-71	175.1	-21.2	0	0	116.3
3087	Q	32.8	Very low	33.2	Very low	151 Å²	151	131.9 Å²	131.9	71%	0.706	72%	0.719	S	S	*	*			cis	-173.2	153	46.7	-119.3	-176	-12.4	0	0	113.1
3088	N	32.4	Very low	33.4	Very low	113.5 Å²	113.5	133.2 Å²	133.2	61%	0.607	72%	0.723	S	S	*	*			trans	57.2	133.9	146.8	-61.3	-17	0	0	0	120
3089	N	33	Very low	33.5	Very low	123.5 Å²	123.5	130.9 Å²	130.9	66%	0.66	72%	0.72	S	S	*	*				129.1	142.2	51.3	-76.3	-10	0	0	0	114
3090	N	33.7	Very low	33.9	Very low	131.5 Å²	131.5	131.5 Å²	131.5	70%	0.703	72%	0.721	S	S	*	*			cis	148.1	139.3	40.9	-81.2	-4.8	0	0	0	115.3
3091	I	33.1	Very low	34.2	Very low	148.5 Å²	148.5	131.1 Å²	131.1	76%	0.762	72%	0.716	S	S	*	*			trans	82.1	157.5	145.9	-67.8	160.3	0	0	0	117.7
3092	C	31.2	Very low	34.3	Very low	102.5 Å²	102.5	127.8 Å²	127.8	69%	0.693	71%	0.706	S	S	*	*			trans	133	153.9	-132.8	-82.9	0	0	0	0	112.5
3093	T	31.3	Very low	34.6	Very low	133.5 Å²	133.5	126.8 Å²	126.8	82%	0.819	70%	0.7	S	S	*	*			cis	-120.9	127.5	15.1	18	0	0	0	0	115.4
3094	T	29.9	Very low	35	Very low	101.5 Å²	101.5	128 Å²	128	62%	0.623	71%	0.706	S	S	*	*			trans	-14.2	151	147.8	1	0	0	0	0	117.1
3095	K	32.1	Very low	34.8	Very low	175.5 Å²	175.5	126.6 Å²	126.6	76%	0.763	70%	0.703	S	S	*	*			trans	88.4	129.2	153	-66.4	171.8	-178	179.5	0	118.4
3096	Q	35.2	Very low	34.7	Very low	171.5 Å²	171.5	127.8 Å²	127.8	80%	0.801	71%	0.706	S	S	*	*				164.8	132.1	66.8	-96.4	159.7	-2.5	0	0	117.6
3097	S	34.2	Very low	34.7	Very low	91.5 Å²	91.5	125.2 Å²	125.2	64%	0.64	70%	0.702	S	S	*	*				83.1	123.3	108.3	-124.6	0	0	0	0	119
3098	F	33.1	Very low	34.7	Very low	184.5 Å²	184.5	125.4 Å²	125.4	81%	0.809	71%	0.708	S	S	*	*				157.1	127.8	71.8	-89.9	-114.8	0	0	0	118.1
3099	V	35.6	Very low	34.8	Very low	110 Å²	110	123.7 Å²	123.7	67%	0.667	72%	0.717	S	S	*	*				68.5	117.3	99.6	174.9	0	0	0	0	117.6
3100	P	41.7	Very low	34.8	Very low	109.5 Å²	109.5	124.5 Å²	124.5	71%	0.711	73%	0.727	S	S	*	*			trans	-102.9	166.8	172.6	40.8	-34.1	0	0	0	113.3
3101	P	40.8	Very low	34.9	Very low	98.5 Å²	98.5	124 Å²	124	64%	0.64	73%	0.734	S	S	*	*				-124.6	-171.7	127.9	39.7	-27.3	0	0	0	115.6
3102	S	35.4	Very low	34.9	Very low	81.5 Å²	81.5	125.4 Å²	125.4	57%	0.57	74%	0.737	S	S	*	*			trans	133	131.5	-174.6	-77.8	0	0	0	0	119.5
3103	T	42.5	Very low	35.3	Very low	107.5 Å²	107.5	125.1 Å²	125.1	66%	0.66	73%	0.734	S	S	*	*			trans	-5	171.6	146.5	59.4	0	0	0	0	116.9
3104	P	42.2	Very low	35.5	Very low	108.5 Å²	108.5	127 Å²	127	71%	0.705	73%	0.733	S	S	*	*			trans	-136.7	169.4	172.3	39.8	-22.1	0	0	0	113.9
3105	I	33	Very low	35.6	Very low	142.5 Å²	142.5	128.4 Å²	128.4	73%	0.731	74%	0.736	S	S	*	*				121.9	139.2	86.6	-77.6	168.8	0	0	0	111.8
3106	V	32.8	Very low	35.7	Very low	118.5 Å²	118.5	125.5 Å²	125.5	72%	0.718	73%	0.733	S	S	*	*				-122.5	164.8	-88.5	122.2	0	0	0	0	110
3107	T	33.7	Very low	35.6	Very low	124.5 Å²	124.5	122 Å²	122	76%	0.764	73%	0.727	S	S	*	*				-169.7	148.8	114.7	-33.9	0	0	0	0	111.7
3108	N	31.2	Very low	35.6	Very low	154.5 Å²	154.5	128.3 Å²	128.3	83%	0.826	74%	0.737	S	S	*	*			trans	-40.6	156.1	164.4	-57.7	-17	0	0	0	116.3
3109	G	35	Very low	35.7	Very low	78 Å²	78	125.1 Å²	125.1	80%	0.804	73%	0.732	S	S	*	*				179.6	144.5	87.1	0	0	0	0	0	115.3
3110	T	33.9	Very low	35.7	Very low	141 Å²	141	126.1 Å²	126.1	87%	0.865	74%	0.739	S	S	*	*			trans	-68.5	137.8	-177.3	7.1	0	0	0	0	114.9
3111	S	34.7	Very low	35.4	Very low	120.5 Å²	120.5	125.4 Å²	125.4	84%	0.843	74%	0.736	S	S	*	*			trans	-175.5	157.3	130.4	48.8	0	0	0	0	113.5
3112	H	33.8	Very low	35.2	Very low	178 Å²	178	128.5 Å²	128.5	82%	0.824	75%	0.747	S	S	*	*			trans	-103.8	-164.3	-178.6	-137.5	-38	0	0	0	112.4
3113	P	40	Very low	35.3	Very low	97 Å²	97	129.1 Å²	129.1	63%	0.63	76%	0.758	S	S	*	*				-115.7	162.8	-64.5	38.1	-25.2	0	0	0	117.6
3114	Q	33.7	Very low	35.3	Very low	172.5 Å²	172.5	129.8 Å²	129.8	81%	0.806	76%	0.764	S	S	*	*			trans	135.1	148.3	143.9	-82.7	-162.4	1.1	0	0	118.5
3115	I	32.9	Very low	35.8	Very low	131 Å²	131	130.2 Å²	130.2	67%	0.672	77%	0.766	S	S	*	*			cis	142.7	140.6	44.1	-113.6	175.6	0	0	0	116.5
3116	T	34.4	Very low	36.6	Very low	115 Å²	115	129 Å²	129	71%	0.706	77%	0.767	S	S	*	*			trans	66	134.1	154.7	-5.9	0	0	0	0	121.9
3117	S	34	Very low	37	Very low	96.5 Å²	96.5	129 Å²	129	68%	0.675	77%	0.771	S	S	*	*				128.4	164.8	58.8	169.2	0	0	0	0	115.7
3118	R	33.8	Very low	37.2	Very low	225.5 Å²	225.5	129.5 Å²	129.5	85%	0.851	77%	0.773	S	S	*	*				136.3	137.9	67.7	-93.2	162.8	-172.1	-141.1	1.7	114
3119	T	33.7	Very low	37.3	Very low	116.5 Å²	116.5	127.6 Å²	127.6	72%	0.715	77%	0.772	S	S	*	*				68.4	116.9	111.5	-39.5	0	0	0	0	117.6
3120	V	37	Very low	37.4	Very low	131.5 Å²	131.5	129.4 Å²	129.4	80%	0.797	77%	0.77	S	S	*	*				151.2	-179.4	71.4	-160.6	0	0	0	0	116.2
3121	S	36	Very low	37.3	Very low	93.5 Å²	93.5	128.6 Å²	128.6	65%	0.654	76%	0.764	S	S	*	*				141.7	129.4	81	-50.5	0	0	0	0	118.3
3122	N	35.7	Very low	37.2	Very low	164 Å²	164	130.3 Å²	130.3	88%	0.877	76%	0.762	S	S	*	*			trans	50.4	132.8	139.5	-61.5	0.7	0	0	0	121.7
3123	A	38.3	Very low	37	Very low	95.5 Å²	95.5	129.7 Å²	129.7	79%	0.789	76%	0.764	S	S	*	*			trans	-148.4	168.2	165.1	0	0	0	0	0	109.1
3124	P	41.7	Very low	36.5	Very low	122 Å²	122	128.2 Å²	128.2	79%	0.792	77%	0.767	S	S	*	*	P	Polyproline II helix		-116.4	-177.6	102.2	40.4	-27.7	0	0	0	114.4
3125	P	53.4	Low	36.2	Very low	116 Å²	116	131.5 Å²	131.5	75%	0.753	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-107.6	-175.6	-159.3	34	-20.2	0	0	0	114.1
3126	P	48.7	Very low	35.9	Very low	116.5 Å²	116.5	132.2 Å²	132.2	76%	0.756	78%	0.777	S	S	*	*			trans	-98.2	-170.7	-131.5	37.6	-29.4	0	0	0	112.6
3127	P	41.6	Very low	35.7	Very low	120.5 Å²	120.5	131.3 Å²	131.3	78%	0.782	78%	0.775	S	S	*	*				-104.6	169	-81.8	38.3	-31.2	0	0	0	114.4
3128	T	37.5	Very low	35.5	Very low	134 Å²	134	132 Å²	132	82%	0.822	78%	0.78	S	S	*	*				-126	145.9	93	3.7	0	0	0	0	111.5
3129	S	33	Very low	35.6	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-83.5	158.7	-171.7	-54.7	0	0	0	0	114.5	V3131	S3129-V3131 PolarHBondContact O-N 3.45Å
3130	P	37.6	Very low	35.7	Very low	117 Å²	117	125.4 Å²	125.4	76%	0.76	77%	0.768	S	S	*	*			trans	-97	146.8	-163.5	35	-34.6	0	0	0	115.4	I3132	P3130-I3132 PolarHBondContact O-N 3.38Å
3131	V	31.7	Very low	35.9	Very low	123.5 Å²	123.5	124.1 Å²	124.1	75%	0.748	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	3.6	120.4	147.8	166	0	0	0	0	115.6	S3129 L3133	S3129-V3131 PolarHBondContact O-N 3.45Å; V3131-L3133 PolarHBondContact O-N 3.37Å
3132	I	31.7	Very low	36.4	Very low	156.5 Å²	156.5	122.6 Å²	122.6	80%	0.803	75%	0.747	S	S	*	*			trans	9.2	120.2	153.8	-73	178.7	0	0	0	115.8	P3130	P3130-I3132 PolarHBondContact O-N 3.38Å
3133	L	30.5	Very low	37.1	Very low	164.5 Å²	164.5	119.3 Å²	119.3	86%	0.861	74%	0.743	S	S	*	*			trans	-3.3	137.7	174.3	-139.7	64.8	0	0	0	116.9	V3131	V3131-L3133 PolarHBondContact O-N 3.37Å
3134	G	29.2	Very low	38	Very low	66 Å²	66	116.8 Å²	116.8	68%	0.68	72%	0.716	S	S	*	*			trans	-127.9	138.7	173.1	0	0	0	0	0	114.3	N3136	G3134-N3136 PolarHBondContact O-N 2.94Å
3135	R	27.2	Very low	39.1	Very low	241 Å²	241	115.3 Å²	115.3	91%	0.909	71%	0.706	S	S	*	*			trans	-76.7	111.2	168.2	-95.2	-178.4	169.9	169.3	-4.3	111	S3137	R3135-S3137 PolarHBondContact O-N 3.49Å
3136	N	27.7	Very low	39.8	Very low	147 Å²	147	114 Å²	114	79%	0.786	70%	0.696	S	S	*	*			trans	-6.6	101.6	166.3	-67.7	2.6	0	0	0	112.6	G3134 S3138	G3134-N3136 PolarHBondContact O-N 2.94Å; N3136-S3138 PolarHBondContact O-N 3.47Å
3137	S	30.7	Very low	40.6	Very low	96.5 Å²	96.5	109.3 Å²	109.3	68%	0.675	67%	0.665	S	S	*	*			trans	-108.5	70.1	163.6	-67.2	0	0	0	0	109.8	R3135 V3139	R3135-S3137 PolarHBondContact O-N 3.49Å; S3137-V3139 PolarHBondContact O-N 3.13Å
3138	S	29.8	Very low	41.8	Very low	110 Å²	110	107 Å²	107	77%	0.769	64%	0.643	S	S	*	*			trans	-70.5	88.4	171.5	54.2	0	0	0	0	109.4	N3136 S3140	N3136-S3138 PolarHBondContact O-N 3.47Å; S3138-S3140 PolarHBondContact O-N 3.02Å; S3138-S3140 VanDerWaalsContact O-N 3.14Å
3139	V	35.6	Very low	43.3	Very low	103.5 Å²	103.5	104 Å²	104	63%	0.627	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-62.7	120.2	167.1	-178.8	0	0	0	0	107.2	S3137 Y3192	S3137-V3139 PolarHBondContact O-N 3.13Å; V3139-Y3192 HydrophobicContact CG1-CD2 4.37Å
3140	S	35.6	Very low	45	Very low	99.5 Å²	99.5	101.7 Å²	101.7	70%	0.696	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-54.3	133.2	177.7	-56.2	0	0	0	0	110	S3138 L3142	S3138-S3140 PolarHBondContact O-N 3.02Å; S3138-S3140 VanDerWaalsContact O-N 3.14Å; S3140-L3142 PolarHBondContact O-N 3.02Å
3141	P	41.4	Very low	46.5	Very low	105 Å²	105	97.6 Å²	97.6	68%	0.682	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-59.4	128.9	178.9	25.1	-33.5	0	0	0	109.1	A3143	P3141-A3143 PolarHBondContact O-N 3Å
3142	L	45.6	Very low	48.3	Very low	62 Å²	62	96.9 Å²	96.9	33%	0.325	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-64.5	108.3	176.4	-171.9	76	0	0	0	107.9	S3140 N3144 L3147 Q3188 V3189 Y3192	S3140-L3142 PolarHBondContact O-N 3.02Å; L3142-N3144 HydrophobicContact CD2-CB 4.04Å; L3142-N3144 HydrophobicContact CG-CB 4.36Å; L3142-N3144 PolarHBondContact O-N 3.28Å; L3142-L3147 HydrophobicContact CD2-CB 3.96Å; L3142-L3147 HydrophobicContact CD2-CD1 3.7Å; L3142-L3147 HydrophobicContact CD2-CG 4.46Å; L3142-Q3188 HydrophobicContact CD1-CB 4.09Å; L3142-Q3188 HydrophobicContact CD1-CG 3.69Å; L3142-V3189 HydrophobicContact CD2-CG2 4.05Å; L3142-Y3192 HydrophobicContact CB-CD1 4.11Å; L3142-Y3192 HydrophobicContact CB-CE1 4.22Å; L3142-Y3192 HydrophobicContact CD2-CD1 4.12Å
3143	A	51.2	Low	49.9	Very low	94.5 Å²	94.5	98.2 Å²	98.2	78%	0.781	56%	0.562	S	S	*	*	S	Bend	trans	-68.6	33.5	-173.1	0	0	0	0	0	113.5	P3141 P3145	P3141-A3143 PolarHBondContact O-N 3Å; A3143-P3145 VanDerWaalsContact O-CD 3.3Å; A3143-P3145 WeakPolarHBondContact O-CD 3.37Å
3144	N	57.4	Low	51.6	Low	43 Å²	43	91.5 Å²	91.5	23%	0.23	53%	0.526	C	S	.	.			trans	-93.1	103	173.4	-175.2	-26.9	0	0	0	109	L3142 V3146 L3147 Q3148	L3142-N3144 HydrophobicContact CD2-CB 4.04Å; L3142-N3144 HydrophobicContact CG-CB 4.36Å; L3142-N3144 PolarHBondContact O-N 3.28Å; N3144-V3146 PolarHBondContact O-N 3.09Å; N3144-V3146 VanDerWaalsContact O-N 3.1Å; N3144-V3146 VanDerWaalsContact OD1-CB 3.32Å; N3144-V3146 WeakPolarHBondContact OD1-CB 3.34Å; N3144-V3146 PolarHBondContact OD1-N 2.85Å; N3144-V3146 VanDerWaalsContact OD1-N 3.08Å; N3144-L3147 HydrophobicContact CB-CB 4.39Å; N3144-L3147 HydrophobicContact CB-CD1 4.08Å; N3144-L3147 HydrophobicContact CB-CG 4.06Å; N3144-L3147 PolarHBondContact O-N 3.17Å; N3144-L3147 PolarHBondContact OD1-N 2.87Å; N3144-Q3148 PolarHBondContact O-N 2.78Å; N3144-Q3148 VanDerWaalsContact O-N 3.17Å
3145	P	65.1	Low	52.7	Low	91 Å²	91	90.9 Å²	90.9	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-19.7	-176.3	27.4	-35.7	0	0	0	112.9	A3143 T3149	A3143-P3145 VanDerWaalsContact O-CD 3.3Å; A3143-P3145 WeakPolarHBondContact O-CD 3.37Å; P3145-T3149 VanDerWaalsContact O-CB 3.23Å; P3145-T3149 WeakPolarHBondContact O-CB 3.35Å; P3145-T3149 PolarHBondContact O-N 3.14Å; P3145-T3149 PolarHBondContact O-OG1 3.13Å
3146	V	66.3	Low	54	Low	88.5 Å²	88.5	81.7 Å²	81.7	54%	0.536	50%	0.501	S	S	.	.	H	α-helix	trans	-69.4	-41.6	175.4	-172.6	0	0	0	0	110.5	N3144 L3150 A3170	N3144-V3146 PolarHBondContact O-N 3.09Å; N3144-V3146 VanDerWaalsContact O-N 3.1Å; N3144-V3146 VanDerWaalsContact OD1-CB 3.32Å; N3144-V3146 WeakPolarHBondContact OD1-CB 3.34Å; N3144-V3146 PolarHBondContact OD1-N 2.85Å; N3144-V3146 VanDerWaalsContact OD1-N 3.08Å; V3146-L3150 VanDerWaalsContact O-CB 3.3Å; V3146-L3150 WeakPolarHBondContact O-CB 3.44Å; V3146-L3150 PolarHBondContact O-N 2.89Å; V3146-A3170 HydrophobicContact CG1-CB 4.25Å
3147	L	66.1	Low	55.5	Low	18.5 Å²	18.5	81.5 Å²	81.5	10%	0.097	50%	0.499	C	S	.	.	H	α-helix	trans	-68.6	-42.9	176.2	-85.9	174	0	0	0	111.4	L3142 N3144 T3149 L3150 I3151 F3167 L3171 V3189 L3193	L3142-L3147 HydrophobicContact CD2-CB 3.96Å; L3142-L3147 HydrophobicContact CD2-CD1 3.7Å; L3142-L3147 HydrophobicContact CD2-CG 4.46Å; N3144-L3147 HydrophobicContact CB-CB 4.39Å; N3144-L3147 HydrophobicContact CB-CD1 4.08Å; N3144-L3147 HydrophobicContact CB-CG 4.06Å; N3144-L3147 PolarHBondContact O-N 3.17Å; N3144-L3147 PolarHBondContact OD1-N 2.87Å; L3147-T3149 PolarHBondContact O-N 3.47Å; L3147-L3150 WeakPolarHBondContact O-CB 3.49Å; L3147-L3150 PolarHBondContact O-N 3.19Å; L3147-L3150 VanDerWaalsContact O-N 3.16Å; L3147-I3151 VanDerWaalsContact O-CG1 3.27Å; L3147-I3151 WeakPolarHBondContact O-CG1 3.21Å; L3147-I3151 PolarHBondContact O-N 3.17Å; L3147-F3167 HydrophobicContact CD2-CB 4.15Å; L3147-F3167 HydrophobicContact CD2-CD1 3.59Å; L3147-F3167 HydrophobicContact CD2-CE1 4.39Å; L3147-F3167 HydrophobicContact CD2-CG 4.21Å; L3147-L3171 HydrophobicContact CD1-CD2 4.42Å; L3147-V3189 HydrophobicContact CD1-CB 4.31Å; L3147-V3189 HydrophobicContact CD1-CG1 3.68Å; L3147-V3189 HydrophobicContact CD1-CG2 3.65Å; L3147-L3193 HydrophobicContact CD2-CD2 4.03Å
3148	Q	66.8	Low	57.2	Low	72 Å²	72	79.1 Å²	79.1	34%	0.336	48%	0.481	S	S	.	.	H	α-helix	trans	-62.2	-45.5	174.8	-168.3	62.9	53.2	0	0	111.5	N3144 L3150 I3151 D3152 Y3192	N3144-Q3148 PolarHBondContact O-N 2.78Å; N3144-Q3148 VanDerWaalsContact O-N 3.17Å; Q3148-L3150 VanDerWaalsContact C-N 3.26Å; Q3148-L3150 PolarHBondContact O-N 3.19Å; Q3148-I3151 WeakPolarHBondContact O-CB 3.3Å; Q3148-I3151 PolarHBondContact O-N 3.14Å; Q3148-I3151 VanDerWaalsContact O-N 3.1Å; Q3148-D3152 PolarHBondContact NE2-OD1 3.07Å; Q3148-D3152 WeakPolarHBondContact O-CB 3.22Å; Q3148-D3152 PolarHBondContact O-N 3.26Å; Q3148-Y3192 PolarHBondContact OE1-OH 3.41Å; Q3148-Y3192 VanDerWaalsContact OE1-OH 3.1Å
3149	T	69.7	Low	59.2	Low	71.5 Å²	71.5	77.6 Å²	77.6	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-33.3	176	-57.5	0	0	0	0	112.3	P3145 L3147 R3153	P3145-T3149 VanDerWaalsContact O-CB 3.23Å; P3145-T3149 WeakPolarHBondContact O-CB 3.35Å; P3145-T3149 PolarHBondContact O-N 3.14Å; P3145-T3149 PolarHBondContact O-OG1 3.13Å; L3147-T3149 PolarHBondContact O-N 3.47Å; T3149-R3153 VanDerWaalsContact O-CB 3.29Å; T3149-R3153 WeakPolarHBondContact O-CB 3.3Å; T3149-R3153 WeakPolarHBondContact O-CD 3.42Å; T3149-R3153 WeakPolarHBondContact O-CG 3.32Å; T3149-R3153 PolarHBondContact O-N 3.04Å
3150	L	67.9	Low	60.9	Low	64.5 Å²	64.5	75 Å²	75	34%	0.338	45%	0.447	S	S	.	.	H	α-helix	trans	-71.1	-43.3	173.7	-127.4	158.9	0	0	0	111.1	V3146 L3147 Q3148 D3152 R3153 L3154 F3167 A3170	V3146-L3150 VanDerWaalsContact O-CB 3.3Å; V3146-L3150 WeakPolarHBondContact O-CB 3.44Å; V3146-L3150 PolarHBondContact O-N 2.89Å; L3147-L3150 WeakPolarHBondContact O-CB 3.49Å; L3147-L3150 PolarHBondContact O-N 3.19Å; L3147-L3150 VanDerWaalsContact O-N 3.16Å; Q3148-L3150 VanDerWaalsContact C-N 3.26Å; Q3148-L3150 PolarHBondContact O-N 3.19Å; L3150-D3152 VanDerWaalsContact C-N 3.35Å; L3150-D3152 PolarHBondContact O-N 3.24Å; L3150-R3153 CarbonylContact O-C 3.29Å; L3150-R3153 PolarHBondContact O-N 3.18Å; L3150-L3154 HydrophobicContact CB-CD1 4.41Å; L3150-L3154 HydrophobicContact CD2-CD1 3.85Å; L3150-L3154 HydrophobicContact CD2-CD2 4.27Å; L3150-L3154 HydrophobicContact CD2-CG 4.12Å; L3150-L3154 WeakPolarHBondContact O-CB 3.47Å; L3150-L3154 VanDerWaalsContact O-CG 3.23Å; L3150-L3154 WeakPolarHBondContact O-CG 3.28Å; L3150-L3154 PolarHBondContact O-N 3.3Å; L3150-F3167 HydrophobicContact CB-CD1 4.34Å; L3150-F3167 HydrophobicContact CB-CE1 3.85Å; L3150-F3167 HydrophobicContact CD1-CD1 4.3Å; L3150-A3170 HydrophobicContact CD1-CB 3.5Å
3151	I	69.2	Low	62.7	Low	32 Å²	32	73.2 Å²	73.2	16%	0.164	43%	0.434	C	S	.	.	H	α-helix	trans	-61.3	-47.1	176.7	-71.1	161.9	0	0	0	111	L3147 Q3148 R3153 L3154 G3155 F3167 Y3192 V3196 F3200	L3147-I3151 VanDerWaalsContact O-CG1 3.27Å; L3147-I3151 WeakPolarHBondContact O-CG1 3.21Å; L3147-I3151 PolarHBondContact O-N 3.17Å; Q3148-I3151 WeakPolarHBondContact O-CB 3.3Å; Q3148-I3151 PolarHBondContact O-N 3.14Å; Q3148-I3151 VanDerWaalsContact O-N 3.1Å; I3151-R3153 VanDerWaalsContact C-N 3.28Å; I3151-R3153 PolarHBondContact O-N 2.94Å; I3151-L3154 PolarHBondContact O-N 2.88Å; I3151-L3154 VanDerWaalsContact O-N 3.09Å; I3151-G3155 PolarHBondContact O-N 3.05Å; I3151-F3167 HydrophobicContact CG1-CE1 4.01Å; I3151-F3167 HydrophobicContact CG1-CZ 4Å; I3151-Y3192 HydrophobicContact CD1-CD1 4.24Å; I3151-Y3192 HydrophobicContact CD1-CE1 3.41Å; I3151-Y3192 VanDerWaalsContact CD1-CE1 3.41Å; I3151-V3196 HydrophobicContact CD1-CG1 4.16Å; I3151-F3200 HydrophobicContact CB-CZ 4.03Å; I3151-F3200 HydrophobicContact CG1-CE2 4.1Å; I3151-F3200 HydrophobicContact CG1-CZ 3.82Å; I3151-F3200 HydrophobicContact CG2-CE1 4.43Å; I3151-F3200 HydrophobicContact CG2-CZ 3.83Å
3152	D	69.8	Low	64.3	Low	108 Å²	108	71.6 Å²	71.6	58%	0.578	42%	0.422	S	S	*	.	H	α-helix	trans	-63.8	-27.6	177.9	-61.2	-12.6	0	0	0	112.2	Q3148 L3150	Q3148-D3152 PolarHBondContact NE2-OD1 3.07Å; Q3148-D3152 WeakPolarHBondContact O-CB 3.22Å; Q3148-D3152 PolarHBondContact O-N 3.26Å; L3150-D3152 VanDerWaalsContact C-N 3.35Å; L3150-D3152 PolarHBondContact O-N 3.24Å
3153	R	65.2	Low	65.7	Low	184.5 Å²	184.5	68.7 Å²	68.7	70%	0.696	41%	0.408	S	S	*	.	H	α-helix	trans	-87.8	-26.2	177.2	-78.4	-175.3	165.2	-156.9	-5.3	114.7	S2691 T3149 L3150 I3151	S2691-R3153 PolarHBondContact OG-NH2 2.97Å; T3149-R3153 VanDerWaalsContact O-CB 3.29Å; T3149-R3153 WeakPolarHBondContact O-CB 3.3Å; T3149-R3153 WeakPolarHBondContact O-CD 3.42Å; T3149-R3153 WeakPolarHBondContact O-CG 3.32Å; T3149-R3153 PolarHBondContact O-N 3.04Å; L3150-R3153 CarbonylContact O-C 3.29Å; L3150-R3153 PolarHBondContact O-N 3.18Å; I3151-R3153 VanDerWaalsContact C-N 3.28Å; I3151-R3153 PolarHBondContact O-N 2.94Å
3154	L	66.8	Low	66.9	Low	23 Å²	23	65.9 Å²	65.9	12%	0.12	38%	0.379	C	S	.	.	H	α-helix	trans	-79.7	-30.6	176.2	-66.9	174.9	0	0	0	111.9	L3150 I3151 G3156 N3157 V3158 L3166 F3167	L3150-L3154 HydrophobicContact CB-CD1 4.41Å; L3150-L3154 HydrophobicContact CD2-CD1 3.85Å; L3150-L3154 HydrophobicContact CD2-CD2 4.27Å; L3150-L3154 HydrophobicContact CD2-CG 4.12Å; L3150-L3154 WeakPolarHBondContact O-CB 3.47Å; L3150-L3154 VanDerWaalsContact O-CG 3.23Å; L3150-L3154 WeakPolarHBondContact O-CG 3.28Å; L3150-L3154 PolarHBondContact O-N 3.3Å; I3151-L3154 PolarHBondContact O-N 2.88Å; I3151-L3154 VanDerWaalsContact O-N 3.09Å; L3154-G3156 VanDerWaalsContact C-N 3.25Å; L3154-G3156 PolarHBondContact O-N 2.91Å; L3154-G3156 VanDerWaalsContact O-N 3.12Å; L3154-N3157 PolarHBondContact O-N 2.73Å; L3154-N3157 VanDerWaalsContact O-N 3.14Å; L3154-V3158 HydrophobicContact CB-CB 4.43Å; L3154-V3158 HydrophobicContact CB-CG2 3.99Å; L3154-V3158 HydrophobicContact CD2-CB 4.12Å; L3154-V3158 HydrophobicContact CD2-CG1 4.3Å; L3154-V3158 HydrophobicContact CD2-CG2 3.75Å; L3154-V3158 HydrophobicContact CG-CG2 4.44Å; L3154-V3158 WeakPolarHBondContact O-CB 3.3Å; L3154-V3158 PolarHBondContact O-N 3.14Å; L3154-L3166 HydrophobicContact CD1-CD1 4.25Å; L3154-L3166 HydrophobicContact CD2-CD1 3.68Å; L3154-F3167 HydrophobicContact CD1-CE1 4.03Å; L3154-F3167 HydrophobicContact CD1-CZ 4.01Å
3155	G	52	Low	67.8	Low	53 Å²	53	66.5 Å²	66.5	55%	0.546	39%	0.39	S	S	.	.	H	α-helix	trans	-3.5	7.6	171.8	0	0	0	0	0	116	I3151 N3157	I3151-G3155 PolarHBondContact O-N 3.05Å; G3155-N3157 PolarHBondContact O-N 3.17Å
3156	G	55.2	Low	68.4	Low	49 Å²	49	65.6 Å²	65.6	51%	0.505	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-9.5	-9.3	174.3	0	0	0	0	0	116.3	L3154	L3154-G3156 VanDerWaalsContact C-N 3.25Å; L3154-G3156 PolarHBondContact O-N 2.91Å; L3154-G3156 VanDerWaalsContact O-N 3.12Å
3157	N	58.4	Low	68.9	Low	141.5 Å²	141.5	61.6 Å²	61.6	76%	0.757	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	1.4	-168.3	-117	4.8	0	0	0	115.5	L3154 G3155	L3154-N3157 PolarHBondContact O-N 2.73Å; L3154-N3157 VanDerWaalsContact O-N 3.14Å; G3155-N3157 PolarHBondContact O-N 3.17Å
3158	V	66.8	Low	69.3	Low	47 Å²	47	64.6 Å²	64.6	29%	0.285	37%	0.369	S	S	.	.	S	Bend	trans	-102.6	135	178.6	177.3	0	0	0	0	110.3	L3154 V3162 A3163	L3154-V3158 HydrophobicContact CB-CB 4.43Å; L3154-V3158 HydrophobicContact CB-CG2 3.99Å; L3154-V3158 HydrophobicContact CD2-CB 4.12Å; L3154-V3158 HydrophobicContact CD2-CG1 4.3Å; L3154-V3158 HydrophobicContact CD2-CG2 3.75Å; L3154-V3158 HydrophobicContact CG-CG2 4.44Å; L3154-V3158 WeakPolarHBondContact O-CB 3.3Å; L3154-V3158 PolarHBondContact O-N 3.14Å; V3158-V3162 HydrophobicContact CG1-CB 3.74Å; V3158-V3162 HydrophobicContact CG1-CG1 3.62Å; V3158-A3163 HydrophobicContact CG1-CB 4.24Å
3159	E	71.4	Confident	69.5	Low	78.5 Å²	78.5	63.9 Å²	63.9	37%	0.367	38%	0.375	S	S	.	.			trans	-64.1	139.4	179.3	-173	-75.2	133.2	0	0	110.5	S3161 V3162 A3163 R3204	E3159-S3161 VanDerWaalsContact C-N 3.33Å; E3159-S3161 VanDerWaalsContact CD-N 3.3Å; E3159-S3161 VanDerWaalsContact CD-OG 3.25Å; E3159-S3161 PolarHBondContact O-N 2.78Å; E3159-S3161 VanDerWaalsContact O-N 3.15Å; E3159-S3161 VanDerWaalsContact OE1-CB 3.26Å; E3159-S3161 WeakPolarHBondContact OE1-CB 3.28Å; E3159-S3161 PolarHBondContact OE1-N 2.92Å; E3159-S3161 PolarHBondContact OE1-OG 3.12Å; E3159-S3161 VanDerWaalsContact OE2-CA 3.3Å; E3159-S3161 WeakPolarHBondContact OE2-CA 3.39Å; E3159-S3161 WeakPolarHBondContact OE2-CB 3.48Å; E3159-S3161 PolarHBondContact OE2-N 3.09Å; E3159-S3161 PolarHBondContact OE2-OG 3.31Å; E3159-V3162 HydrophobicContact CB-CG2 4.4Å; E3159-V3162 WeakPolarHBondContact O-CA 3.5Å; E3159-V3162 WeakPolarHBondContact O-CB 3.33Å; E3159-V3162 PolarHBondContact O-N 2.82Å; E3159-V3162 VanDerWaalsContact O-N 3.1Å; E3159-V3162 WeakPolarHBondContact OE2-CG2 3.29Å; E3159-V3162 PolarHBondContact OE2-N 2.84Å; E3159-A3163 PolarHBondContact O-N 3.3Å; E3159-R3204 IonicContact OE1-CZ 2.67Å; E3159-R3204 IonicContact OE1-NH2 2.67Å; E3159-R3204 PolarHBondContact OE1-NH2 2.87Å; E3159-R3204 IonicContact OE2-NH2 3.58Å
3160	P	71.5	Confident	69.6	Low	47.5 Å²	47.5	61.8 Å²	61.8	31%	0.308	37%	0.365	S	S	.	.	H	α-helix	trans	-51.4	-41.4	-174.1	-32.3	36.7	0	0	0	115.6	V3162 A3163 I3164 F3200	P3160-V3162 VanDerWaalsContact C-N 3.29Å; P3160-V3162 PolarHBondContact O-N 2.81Å; P3160-A3163 PolarHBondContact O-N 3Å; P3160-I3164 WeakPolarHBondContact O-CB 3.27Å; P3160-I3164 VanDerWaalsContact O-CD1 3.27Å; P3160-I3164 WeakPolarHBondContact O-CD1 3.3Å; P3160-I3164 VanDerWaalsContact O-CG1 3.22Å; P3160-I3164 WeakPolarHBondContact O-CG1 3.38Å; P3160-I3164 PolarHBondContact O-N 2.97Å; P3160-F3200 HydrophobicContact CB-CD1 4.03Å; P3160-F3200 HydrophobicContact CG-CD1 4.26Å
3161	S	73.6	Confident	69.6	Low	62 Å²	62	60.7 Å²	60.7	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-38.2	177.3	-27.9	0	0	0	0	111.9	E3159 I3164 A3165 R3204	E3159-S3161 VanDerWaalsContact C-N 3.33Å; E3159-S3161 VanDerWaalsContact CD-N 3.3Å; E3159-S3161 VanDerWaalsContact CD-OG 3.25Å; E3159-S3161 PolarHBondContact O-N 2.78Å; E3159-S3161 VanDerWaalsContact O-N 3.15Å; E3159-S3161 VanDerWaalsContact OE1-CB 3.26Å; E3159-S3161 WeakPolarHBondContact OE1-CB 3.28Å; E3159-S3161 PolarHBondContact OE1-N 2.92Å; E3159-S3161 PolarHBondContact OE1-OG 3.12Å; E3159-S3161 VanDerWaalsContact OE2-CA 3.3Å; E3159-S3161 WeakPolarHBondContact OE2-CA 3.39Å; E3159-S3161 WeakPolarHBondContact OE2-CB 3.48Å; E3159-S3161 PolarHBondContact OE2-N 3.09Å; E3159-S3161 PolarHBondContact OE2-OG 3.31Å; S3161-I3164 PolarHBondContact O-N 3.46Å; S3161-A3165 VanDerWaalsContact O-CB 3.3Å; S3161-A3165 WeakPolarHBondContact O-CB 3.27Å; S3161-A3165 PolarHBondContact O-N 3.13Å; S3161-R3204 PolarHBondContact OG-NH1 3.15Å; S3161-R3204 PolarHBondContact OG-NH2 2.99Å
3162	V	74.7	Confident	69.6	Low	71.5 Å²	71.5	65.2 Å²	65.2	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-67.8	-40.4	174.2	180	0	0	0	0	111	V3158 E3159 P3160 A3165 L3166	V3158-V3162 HydrophobicContact CG1-CB 3.74Å; V3158-V3162 HydrophobicContact CG1-CG1 3.62Å; E3159-V3162 HydrophobicContact CB-CG2 4.4Å; E3159-V3162 WeakPolarHBondContact O-CA 3.5Å; E3159-V3162 WeakPolarHBondContact O-CB 3.33Å; E3159-V3162 PolarHBondContact O-N 2.82Å; E3159-V3162 VanDerWaalsContact O-N 3.1Å; E3159-V3162 WeakPolarHBondContact OE2-CG2 3.29Å; E3159-V3162 PolarHBondContact OE2-N 2.84Å; P3160-V3162 VanDerWaalsContact C-N 3.29Å; P3160-V3162 PolarHBondContact O-N 2.81Å; V3162-A3165 PolarHBondContact O-N 2.92Å; V3162-L3166 HydrophobicContact CG1-CD1 4.1Å; V3162-L3166 HydrophobicContact CG1-CG 4.45Å; V3162-L3166 WeakPolarHBondContact O-CB 3.19Å; V3162-L3166 VanDerWaalsContact O-CG 3.29Å; V3162-L3166 WeakPolarHBondContact O-CG 3.35Å; V3162-L3166 PolarHBondContact O-N 3.13Å
3163	A	75.6	Confident	68.8	Low	2 Å²	2	62.2 Å²	62.2	2%	0.017	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-48.5	174	0	0	0	0	0	111.4	V3158 E3159 P3160 A3165 L3166 F3167 F3200	V3158-A3163 HydrophobicContact CG1-CB 4.24Å; E3159-A3163 PolarHBondContact O-N 3.3Å; P3160-A3163 PolarHBondContact O-N 3Å; A3163-A3165 VanDerWaalsContact C-N 3.32Å; A3163-A3165 PolarHBondContact O-N 2.96Å; A3163-L3166 PolarHBondContact O-N 3.26Å; A3163-F3167 HydrophobicContact CB-CE2 4.06Å; A3163-F3167 WeakPolarHBondContact O-CD2 3.43Å; A3163-F3167 VanDerWaalsContact O-CG 3.24Å; A3163-F3167 WeakPolarHBondContact O-CG 3.34Å; A3163-F3167 PolarHBondContact O-N 3.03Å; A3163-F3200 HydrophobicContact CB-CZ 4.49Å
3164	I	76.3	Confident	68.1	Low	34.5 Å²	34.5	56.4 Å²	56.4	18%	0.177	37%	0.366	C	S	.	.	H	α-helix	trans	-58.5	-42.7	174.9	-68.5	159.9	0	0	0	111.1	P3160 S3161 F3167 H3168 A3197 F3200 L3201	P3160-I3164 WeakPolarHBondContact O-CB 3.27Å; P3160-I3164 VanDerWaalsContact O-CD1 3.27Å; P3160-I3164 WeakPolarHBondContact O-CD1 3.3Å; P3160-I3164 VanDerWaalsContact O-CG1 3.22Å; P3160-I3164 WeakPolarHBondContact O-CG1 3.38Å; P3160-I3164 PolarHBondContact O-N 2.97Å; S3161-I3164 PolarHBondContact O-N 3.46Å; I3164-F3167 PolarHBondContact O-N 3.4Å; I3164-H3168 WeakPolarHBondContact O-CB 3.48Å; I3164-H3168 PolarHBondContact O-N 2.94Å; I3164-A3197 HydrophobicContact CD1-CB 3.88Å; I3164-A3197 HydrophobicContact CG1-CB 3.75Å; I3164-F3200 HydrophobicContact CD1-CB 3.88Å; I3164-F3200 HydrophobicContact CG1-CB 3.65Å; I3164-L3201 HydrophobicContact CD1-CD1 3.7Å; I3164-L3201 HydrophobicContact CG1-CD1 4.27Å; I3164-L3201 HydrophobicContact CG2-CD1 4.21Å
3165	A	76.1	Confident	67.2	Low	57.5 Å²	57.5	61.4 Å²	61.4	48%	0.475	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-40.5	177.2	0	0	0	0	0	112.3	S3161 V3162 A3163 H3168 A3169	S3161-A3165 VanDerWaalsContact O-CB 3.3Å; S3161-A3165 WeakPolarHBondContact O-CB 3.27Å; S3161-A3165 PolarHBondContact O-N 3.13Å; V3162-A3165 PolarHBondContact O-N 2.92Å; A3163-A3165 VanDerWaalsContact C-N 3.32Å; A3163-A3165 PolarHBondContact O-N 2.96Å; A3165-H3168 PolarHBondContact O-N 2.95Å; A3165-A3169 WeakPolarHBondContact O-CB 3.4Å; A3165-A3169 PolarHBondContact O-N 3.12Å
3166	L	76.8	Confident	66.9	Low	71.5 Å²	71.5	64.8 Å²	64.8	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-40.1	174.5	-73.5	168.3	0	0	0	112	L3154 V3162 A3163 A3169 A3170	L3154-L3166 HydrophobicContact CD1-CD1 4.25Å; L3154-L3166 HydrophobicContact CD2-CD1 3.68Å; V3162-L3166 HydrophobicContact CG1-CD1 4.1Å; V3162-L3166 HydrophobicContact CG1-CG 4.45Å; V3162-L3166 WeakPolarHBondContact O-CB 3.19Å; V3162-L3166 VanDerWaalsContact O-CG 3.29Å; V3162-L3166 WeakPolarHBondContact O-CG 3.35Å; V3162-L3166 PolarHBondContact O-N 3.13Å; A3163-L3166 PolarHBondContact O-N 3.26Å; L3166-A3169 PolarHBondContact O-N 3.29Å; L3166-A3170 WeakPolarHBondContact O-CB 3.37Å; L3166-A3170 PolarHBondContact O-N 3.29Å
3167	F	77.8	Confident	66.5	Low	3.5 Å²	3.5	71.2 Å²	71.2	2%	0.015	41%	0.405	C	S	.	.	H	α-helix	trans	-67.8	-40.6	174.8	-60.8	-44.3	0	0	0	112.2	L3147 L3150 I3151 L3154 A3163 I3164 A3169 A3170 L3171 L3193 V3196 A3197 F3200	L3147-F3167 HydrophobicContact CD2-CB 4.15Å; L3147-F3167 HydrophobicContact CD2-CD1 3.59Å; L3147-F3167 HydrophobicContact CD2-CE1 4.39Å; L3147-F3167 HydrophobicContact CD2-CG 4.21Å; L3150-F3167 HydrophobicContact CB-CD1 4.34Å; L3150-F3167 HydrophobicContact CB-CE1 3.85Å; L3150-F3167 HydrophobicContact CD1-CD1 4.3Å; I3151-F3167 HydrophobicContact CG1-CE1 4.01Å; I3151-F3167 HydrophobicContact CG1-CZ 4Å; L3154-F3167 HydrophobicContact CD1-CE1 4.03Å; L3154-F3167 HydrophobicContact CD1-CZ 4.01Å; A3163-F3167 HydrophobicContact CB-CE2 4.06Å; A3163-F3167 WeakPolarHBondContact O-CD2 3.43Å; A3163-F3167 VanDerWaalsContact O-CG 3.24Å; A3163-F3167 WeakPolarHBondContact O-CG 3.34Å; A3163-F3167 PolarHBondContact O-N 3.03Å; I3164-F3167 PolarHBondContact O-N 3.4Å; F3167-A3169 PolarHBondContact O-N 2.97Å; F3167-A3170 PolarHBondContact O-N 3.18Å; F3167-L3171 VanDerWaalsContact O-CG 3.28Å; F3167-L3171 WeakPolarHBondContact O-CG 3.4Å; F3167-L3171 PolarHBondContact O-N 3.22Å; F3167-L3193 HydrophobicContact CB-CD1 4.35Å; F3167-L3193 HydrophobicContact CB-CD2 3.76Å; F3167-L3193 HydrophobicContact CD1-CD2 3.81Å; F3167-L3193 HydrophobicContact CD2-CD2 4.42Å; F3167-L3193 HydrophobicContact CE1-CD2 4.24Å; F3167-L3193 HydrophobicContact CG-CD2 4.27Å; F3167-V3196 HydrophobicContact CD2-CG1 4.15Å; F3167-V3196 HydrophobicContact CE2-CG1 3.84Å; F3167-V3196 HydrophobicContact CZ-CG1 4.09Å; F3167-A3197 HydrophobicContact CB-CB 4.15Å; F3167-A3197 HydrophobicContact CD2-CB 4.34Å; F3167-F3200 AromaticContact CE2-CD2 3.89Å; F3167-F3200 HydrophobicContact CE2-CD2 3.89Å; F3167-F3200 AromaticContact CE2-CE2 3.81Å; F3167-F3200 HydrophobicContact CE2-CE2 3.96Å; F3167-F3200 AromaticContact CZ-CE2 3.85Å; F3167-F3200 HydrophobicContact CZ-CE2 4.15Å; F3167-F3200 HydrophobicContact CZ-CZ 4.33Å
3168	H	73.9	Confident	65.8	Low	83 Å²	83	74 Å²	74	38%	0.384	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-41.1	171.5	-106.2	132.4	0	0	0	112.2	I3164 A3165 A3170 L3171 N3172 N3190	I3164-H3168 WeakPolarHBondContact O-CB 3.48Å; I3164-H3168 PolarHBondContact O-N 2.94Å; A3165-H3168 PolarHBondContact O-N 2.95Å; H3168-A3170 VanDerWaalsContact C-N 3.32Å; H3168-L3171 PolarHBondContact O-N 3.05Å; H3168-N3172 WeakPolarHBondContact O-CB 3.47Å; H3168-N3172 PolarHBondContact O-N 3.15Å; H3168-N3172 PolarHBondContact O-ND2 3.1Å; H3168-N3190 PolarHBondContact CE1-OD1 2.94Å
3169	A	71.2	Confident	64.8	Low	57 Å²	57	78.6 Å²	78.6	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-66.6	-34.3	176	0	0	0	0	0	112.3	A3165 L3166 F3167 G3173	A3165-A3169 WeakPolarHBondContact O-CB 3.4Å; A3165-A3169 PolarHBondContact O-N 3.12Å; L3166-A3169 PolarHBondContact O-N 3.29Å; F3167-A3169 PolarHBondContact O-N 2.97Å; A3169-G3173 WeakPolarHBondContact O-CA 3.38Å; A3169-G3173 PolarHBondContact O-N 3.05Å
3170	A	70.8	Confident	63.5	Low	26 Å²	26	79.1 Å²	79.1	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-68.2	-42	173.8	0	0	0	0	0	112.2	V3146 L3150 L3166 F3167 H3168 N3172 G3173 L3193	V3146-A3170 HydrophobicContact CG1-CB 4.25Å; L3150-A3170 HydrophobicContact CD1-CB 3.5Å; L3166-A3170 WeakPolarHBondContact O-CB 3.37Å; L3166-A3170 PolarHBondContact O-N 3.29Å; F3167-A3170 PolarHBondContact O-N 3.18Å; H3168-A3170 VanDerWaalsContact C-N 3.32Å; A3170-N3172 PolarHBondContact O-N 3.23Å; A3170-G3173 PolarHBondContact O-N 3.07Å; A3170-L3193 HydrophobicContact CB-CD1 3.98Å
3171	L	69.1	Low	61.9	Low	43 Å²	43	84 Å²	84	23%	0.225	46%	0.456	C	S	.	.	H	α-helix	trans	-65.5	-44.6	176	-69.8	169.4	0	0	0	112	L3147 F3167 H3168 G3173 S3174 V3189 N3190 L3193 R3194	L3147-L3171 HydrophobicContact CD1-CD2 4.42Å; F3167-L3171 VanDerWaalsContact O-CG 3.28Å; F3167-L3171 WeakPolarHBondContact O-CG 3.4Å; F3167-L3171 PolarHBondContact O-N 3.22Å; H3168-L3171 PolarHBondContact O-N 3.05Å; L3171-G3173 PolarHBondContact O-N 2.99Å; L3171-S3174 PolarHBondContact O-N 3.47Å; L3171-S3174 PolarHBondContact O-OG 2.89Å; L3171-V3189 HydrophobicContact CD1-CG1 3.96Å; L3171-N3190 HydrophobicContact CD2-CB 3.98Å; L3171-N3190 WeakPolarHBondContact CD2-OD1 3.38Å; L3171-L3193 HydrophobicContact CD1-CD1 4.1Å; L3171-L3193 HydrophobicContact CD2-CB 4.21Å; L3171-L3193 HydrophobicContact CG-CB 4.38Å; L3171-R3194 HydrophobicContact CD1-CB 4.38Å
3172	N	67.7	Low	60.3	Low	125.5 Å²	125.5	87.6 Å²	87.6	67%	0.671	47%	0.47	S	S	*	.	H	α-helix	trans	-80.3	-19	-179.3	-68.4	-27.4	0	0	0	113.7	H3168 A3170 S3174	H3168-N3172 WeakPolarHBondContact O-CB 3.47Å; H3168-N3172 PolarHBondContact O-N 3.15Å; H3168-N3172 PolarHBondContact O-ND2 3.1Å; A3170-N3172 PolarHBondContact O-N 3.23Å; N3172-S3174 VanDerWaalsContact C-N 3.28Å; N3172-S3174 PolarHBondContact O-N 3.09Å
3173	G	54.6	Low	58.8	Low	45.5 Å²	45.5	92.1 Å²	92.1	47%	0.469	49%	0.492	S	S	.	.			trans	-83.5	38.7	-173	0	0	0	0	0	114.6	A3169 A3170 L3171 N3175 M3176 R3177	A3169-G3173 WeakPolarHBondContact O-CA 3.38Å; A3169-G3173 PolarHBondContact O-N 3.05Å; A3170-G3173 PolarHBondContact O-N 3.07Å; L3171-G3173 PolarHBondContact O-N 2.99Å; G3173-N3175 PolarHBondContact O-N 3.28Å; G3173-M3176 PolarHBondContact O-N 3.14Å; G3173-R3177 PolarHBondContact O-N 3.45Å
3174	S	50.2	Low	57.4	Low	62 Å²	62	96.4 Å²	96.4	43%	0.434	52%	0.518	S	S	.	.	S	Bend	trans	-75	59.5	173.8	69.2	0	0	0	0	112.9	L3171 N3172 M3176	L3171-S3174 PolarHBondContact O-N 3.47Å; L3171-S3174 PolarHBondContact O-OG 2.89Å; N3172-S3174 VanDerWaalsContact C-N 3.28Å; N3172-S3174 PolarHBondContact O-N 3.09Å; S3174-M3176 PolarHBondContact O-N 3.27Å
3175	N	48.3	Very low	56.2	Low	127.5 Å²	127.5	97.8 Å²	97.8	68%	0.682	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.5	175	-81	-51.1	0	0	0	114.2	G3173 R3177 R3178	G3173-N3175 PolarHBondContact O-N 3.28Å; N3175-R3177 VanDerWaalsContact C-N 3.34Å; N3175-R3178 PolarHBondContact OD1-NH2 2.99Å
3176	M	45.9	Very low	55	Low	125 Å²	125	99 Å²	99	62%	0.616	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-76.1	-22.3	178.4	-71.2	-64.2	-135.8	0	0	112.7	G3173 S3174 R3178 N3179	G3173-M3176 PolarHBondContact O-N 3.14Å; S3174-M3176 PolarHBondContact O-N 3.27Å; M3176-R3178 PolarHBondContact O-N 3.45Å; M3176-N3179 PolarHBondContact O-N 3.24Å
3177	R	45.8	Very low	54.1	Low	183.5 Å²	183.5	100.9 Å²	100.9	69%	0.692	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-60.9	-10.5	-179.6	-156.6	172.6	-176.8	-157.7	0.9	114.3	G3173 N3175 D3186	G3173-R3177 PolarHBondContact O-N 3.45Å; N3175-R3177 VanDerWaalsContact C-N 3.34Å; R3177-D3186 IonicContact CZ-OD2 3.49Å; R3177-D3186 IonicContact NE-OD1 3.75Å; R3177-D3186 IonicContact NE-OD2 3.67Å; R3177-D3186 PolarHBondContact NE-OD2 2.92Å; R3177-D3186 IonicContact NH2-OD2 2.68Å; R3177-D3186 PolarHBondContact NH2-OD2 3.42Å
3178	R	43.3	Very low	53.4	Low	199.5 Å²	199.5	107.1 Å²	107.1	75%	0.753	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-86.7	0.6	175.9	-77.2	-168.9	-81.9	-175.1	-6.5	115.6	N3175 M3176	N3175-R3178 PolarHBondContact OD1-NH2 2.99Å; M3176-R3178 PolarHBondContact O-N 3.45Å
3179	N	45.7	Very low	53	Low	144 Å²	144	104.7 Å²	104.7	77%	0.77	56%	0.562	S	S	*	*	S	Bend	trans	-118.7	3.9	175.1	-99.6	-60.6	0	0	0	114.2	M3176	M3176-N3179 PolarHBondContact O-N 3.24Å
3180	L	44.6	Very low	52.9	Low	89.5 Å²	89.5	104.5 Å²	104.5	47%	0.469	55%	0.553	S	S	.	*			trans	-99.5	104.2	164.6	-75.3	82.1	0	0	0	108	D3182	L3180-D3182 PolarHBondContact O-N 2.88Å
3181	N	38.2	Very low	53.1	Low	151.5 Å²	151.5	106.5 Å²	106.5	81%	0.81	56%	0.564	S	S	*	*			trans	-71.5	101.1	175.9	-121.6	35.6	0	0	0	110.6	N3183 T3184	N3181-N3183 PolarHBondContact O-N 3.37Å; N3181-T3184 PolarHBondContact O-N 3.06Å; N3181-T3184 PolarHBondContact O-OG1 3.36Å
3182	D	40.4	Very low	53.2	Low	136 Å²	136	107.1 Å²	107.1	73%	0.727	56%	0.563	S	S	*	*			trans	-104.7	60.5	179.2	-94.5	-51.7	0	0	0	113.7	L3180 T3184 T3185	L3180-D3182 PolarHBondContact O-N 2.88Å; D3182-T3184 PolarHBondContact O-N 3.1Å; D3182-T3185 HydrophobicContact CB-CG2 4.24Å; D3182-T3185 PolarHBondContact O-N 3.31Å; D3182-T3185 PolarHBondContact O-OG1 2.91Å; D3182-T3185 VanDerWaalsContact O-OG1 3.05Å
3183	N	42.9	Very low	53.7	Low	166 Å²	166	101.4 Å²	101.4	89%	0.888	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	17.6	-174.5	-74.9	-28	0	0	0	114.3	N3181	N3181-N3183 PolarHBondContact O-N 3.37Å
3184	T	45	Very low	54.7	Low	92.5 Å²	92.5	107.6 Å²	107.6	57%	0.567	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	43.1	173.8	40	0	0	0	0	112.4	N3181 D3182 T3187	N3181-T3184 PolarHBondContact O-N 3.06Å; N3181-T3184 PolarHBondContact O-OG1 3.36Å; D3182-T3184 PolarHBondContact O-N 3.1Å; T3184-T3187 PolarHBondContact O-OG1 2.96Å
3185	T	51.3	Low	55.9	Low	65 Å²	65	109.8 Å²	109.8	40%	0.399	55%	0.545	S	S	.	.	S	Bend	trans	-77	-118.7	-179.6	50.5	0	0	0	0	113.3	D3182 T3187 Q3188 V3189	D3182-T3185 HydrophobicContact CB-CG2 4.24Å; D3182-T3185 PolarHBondContact O-N 3.31Å; D3182-T3185 PolarHBondContact O-OG1 2.91Å; D3182-T3185 VanDerWaalsContact O-OG1 3.05Å; T3185-T3187 VanDerWaalsContact C-N 3.26Å; T3185-T3187 WeakPolarHBondContact CB-OG1 3.37Å; T3185-T3187 PolarHBondContact O-N 3.12Å; T3185-T3187 PolarHBondContact OG1-OG1 2.91Å; T3185-Q3188 PolarHBondContact O-N 3.47Å; T3185-Q3188 VanDerWaalsContact O-N 3.09Å; T3185-V3189 WeakPolarHBondContact O-CB 3.49Å; T3185-V3189 WeakPolarHBondContact O-CG2 3.35Å; T3185-V3189 PolarHBondContact O-N 2.92Å
3186	D	52	Low	57.2	Low	82 Å²	82	104.3 Å²	104.3	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-58.1	-21.8	-174.1	-80.7	-59.7	0	0	0	114.4	R3177 Q3188 N3190	R3177-D3186 IonicContact CZ-OD2 3.49Å; R3177-D3186 IonicContact NE-OD1 3.75Å; R3177-D3186 IonicContact NE-OD2 3.67Å; R3177-D3186 PolarHBondContact NE-OD2 2.92Å; R3177-D3186 IonicContact NH2-OD2 2.68Å; R3177-D3186 PolarHBondContact NH2-OD2 3.42Å; D3186-Q3188 VanDerWaalsContact C-N 3.32Å; D3186-Q3188 PolarHBondContact O-N 3.17Å; D3186-N3190 PolarHBondContact O-N 3.13Å; D3186-N3190 PolarHBondContact O-ND2 2.94Å; D3186-N3190 PolarHBondContact OD1-ND2 2.84Å
3187	T	58.2	Low	58.4	Low	112 Å²	112	98.7 Å²	98.7	69%	0.687	49%	0.49	S	S	*	.	H	α-helix	trans	-65.7	-22	175.8	22.9	0	0	0	0	115	T3184 T3185 P3191	T3184-T3187 PolarHBondContact O-OG1 2.96Å; T3185-T3187 VanDerWaalsContact C-N 3.26Å; T3185-T3187 WeakPolarHBondContact CB-OG1 3.37Å; T3185-T3187 PolarHBondContact O-N 3.12Å; T3185-T3187 PolarHBondContact OG1-OG1 2.91Å; T3187-P3191 WeakPolarHBondContact O-CD 3.43Å; T3187-P3191 VanDerWaalsContact O-CG 3.27Å; T3187-P3191 WeakPolarHBondContact O-CG 3.4Å
3188	Q	61.5	Low	59.6	Low	133 Å²	133	94.5 Å²	94.5	62%	0.621	48%	0.478	S	S	*	.	H	α-helix	trans	-103.4	-32.8	178.3	-113.5	-173.2	32.8	0	0	113.3	L3142 T3185 D3186 Y3192	L3142-Q3188 HydrophobicContact CD1-CB 4.09Å; L3142-Q3188 HydrophobicContact CD1-CG 3.69Å; T3185-Q3188 PolarHBondContact O-N 3.47Å; T3185-Q3188 VanDerWaalsContact O-N 3.09Å; D3186-Q3188 VanDerWaalsContact C-N 3.32Å; D3186-Q3188 PolarHBondContact O-N 3.17Å; Q3188-Y3192 WeakPolarHBondContact O-CB 3.42Å; Q3188-Y3192 PolarHBondContact O-N 2.82Å
3189	V	65.9	Low	60.9	Low	32.5 Å²	32.5	90.1 Å²	90.1	20%	0.197	47%	0.466	C	S	.	.	H	α-helix	trans	-69.6	-45.5	-179.9	177.4	0	0	0	0	111.6	L3142 L3147 L3171 T3185 Y3192 L3193	L3142-V3189 HydrophobicContact CD2-CG2 4.05Å; L3147-V3189 HydrophobicContact CD1-CB 4.31Å; L3147-V3189 HydrophobicContact CD1-CG1 3.68Å; L3147-V3189 HydrophobicContact CD1-CG2 3.65Å; L3171-V3189 HydrophobicContact CD1-CG1 3.96Å; T3185-V3189 WeakPolarHBondContact O-CB 3.49Å; T3185-V3189 WeakPolarHBondContact O-CG2 3.35Å; T3185-V3189 PolarHBondContact O-N 2.92Å; V3189-Y3192 PolarHBondContact O-N 2.85Å; V3189-L3193 HydrophobicContact CG1-CD1 3.8Å; V3189-L3193 HydrophobicContact CG1-CG 4.07Å; V3189-L3193 WeakPolarHBondContact O-CG 3.36Å; V3189-L3193 PolarHBondContact O-N 3.35Å
3190	N	69.7	Low	61.9	Low	52.5 Å²	52.5	85.1 Å²	85.1	28%	0.281	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-42.9	-175.6	-72.8	-70.4	0	0	0	113.8	H3168 L3171 D3186 L3193 R3194	H3168-N3190 PolarHBondContact CE1-OD1 2.94Å; L3171-N3190 HydrophobicContact CD2-CB 3.98Å; L3171-N3190 WeakPolarHBondContact CD2-OD1 3.38Å; D3186-N3190 PolarHBondContact O-N 3.13Å; D3186-N3190 PolarHBondContact O-ND2 2.94Å; D3186-N3190 PolarHBondContact OD1-ND2 2.84Å; N3190-L3193 PolarHBondContact O-N 3.1Å; N3190-R3194 WeakPolarHBondContact O-CB 3.25Å; N3190-R3194 WeakPolarHBondContact O-CG 3.46Å; N3190-R3194 PolarHBondContact O-N 3.04Å; N3190-R3194 VanDerWaalsContact O-N 3.11Å
3191	P	75.7	Confident	63.4	Low	68 Å²	68	85.1 Å²	85.1	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-41.7	171.2	-25.9	36.1	0	0	0	113	T3187 R3194 H3195	T3187-P3191 WeakPolarHBondContact O-CD 3.43Å; T3187-P3191 VanDerWaalsContact O-CG 3.27Å; T3187-P3191 WeakPolarHBondContact O-CG 3.4Å; P3191-R3194 PolarHBondContact O-N 3.16Å; P3191-H3195 WeakPolarHBondContact O-CB 3.49Å; P3191-H3195 PolarHBondContact O-CD2 3.42Å; P3191-H3195 VanDerWaalsContact O-CD2 3.27Å; P3191-H3195 PolarHBondContact O-N 3.1Å
3192	Y	71.1	Confident	65	Low	55.5 Å²	55.5	82 Å²	82	22%	0.218	42%	0.421	C	S	.	.	H	α-helix	trans	-64.4	-48	179.2	-179.5	-114.1	0	0	0	112.1	V3139 L3142 Q3148 I3151 Q3188 V3189 R3194 H3195 V3196	V3139-Y3192 HydrophobicContact CG1-CD2 4.37Å; L3142-Y3192 HydrophobicContact CB-CD1 4.11Å; L3142-Y3192 HydrophobicContact CB-CE1 4.22Å; L3142-Y3192 HydrophobicContact CD2-CD1 4.12Å; Q3148-Y3192 PolarHBondContact OE1-OH 3.41Å; Q3148-Y3192 VanDerWaalsContact OE1-OH 3.1Å; I3151-Y3192 HydrophobicContact CD1-CD1 4.24Å; I3151-Y3192 HydrophobicContact CD1-CE1 3.41Å; I3151-Y3192 VanDerWaalsContact CD1-CE1 3.41Å; Q3188-Y3192 WeakPolarHBondContact O-CB 3.42Å; Q3188-Y3192 PolarHBondContact O-N 2.82Å; V3189-Y3192 PolarHBondContact O-N 2.85Å; Y3192-R3194 VanDerWaalsContact C-N 3.29Å; Y3192-R3194 PolarHBondContact O-N 2.91Å; Y3192-H3195 PolarHBondContact O-N 3.11Å; Y3192-H3195 VanDerWaalsContact O-N 3.17Å; Y3192-V3196 HydrophobicContact CD1-CG2 4.4Å; Y3192-V3196 HydrophobicContact CD2-CG2 4.13Å; Y3192-V3196 HydrophobicContact CE1-CG2 4.18Å; Y3192-V3196 HydrophobicContact CE2-CG2 3.99Å; Y3192-V3196 WeakPolarHBondContact O-CG2 3.38Å; Y3192-V3196 PolarHBondContact O-N 3.46Å
3193	L	77.9	Confident	66	Low	6.5 Å²	6.5	82.1 Å²	82.1	3%	0.034	42%	0.422	C	S	.	.	H	α-helix	trans	-60.8	-36.8	175.3	-69.3	-178.4	0	0	0	112.4	L3147 F3167 A3170 L3171 V3189 N3190 A3197	L3147-L3193 HydrophobicContact CD2-CD2 4.03Å; F3167-L3193 HydrophobicContact CB-CD1 4.35Å; F3167-L3193 HydrophobicContact CB-CD2 3.76Å; F3167-L3193 HydrophobicContact CD1-CD2 3.81Å; F3167-L3193 HydrophobicContact CD2-CD2 4.42Å; F3167-L3193 HydrophobicContact CE1-CD2 4.24Å; F3167-L3193 HydrophobicContact CG-CD2 4.27Å; A3170-L3193 HydrophobicContact CB-CD1 3.98Å; L3171-L3193 HydrophobicContact CD1-CD1 4.1Å; L3171-L3193 HydrophobicContact CD2-CB 4.21Å; L3171-L3193 HydrophobicContact CG-CB 4.38Å; V3189-L3193 HydrophobicContact CG1-CD1 3.8Å; V3189-L3193 HydrophobicContact CG1-CG 4.07Å; V3189-L3193 WeakPolarHBondContact O-CG 3.36Å; V3189-L3193 PolarHBondContact O-N 3.35Å; N3190-L3193 PolarHBondContact O-N 3.1Å; L3193-A3197 VanDerWaalsContact O-CB 3.29Å; L3193-A3197 WeakPolarHBondContact O-CB 3.33Å; L3193-A3197 PolarHBondContact O-N 3.22Å
3194	R	75.7	Confident	66.5	Low	176.5 Å²	176.5	81.1 Å²	81.1	67%	0.666	41%	0.405	S	S	*	.	H	α-helix	trans	-66.7	-40.4	173.1	-120.6	-171.4	-120.7	-179	0.7	112.2	L3171 N3190 P3191 Y3192 A3197 Q3198	L3171-R3194 HydrophobicContact CD1-CB 4.38Å; N3190-R3194 WeakPolarHBondContact O-CB 3.25Å; N3190-R3194 WeakPolarHBondContact O-CG 3.46Å; N3190-R3194 PolarHBondContact O-N 3.04Å; N3190-R3194 VanDerWaalsContact O-N 3.11Å; P3191-R3194 PolarHBondContact O-N 3.16Å; Y3192-R3194 VanDerWaalsContact C-N 3.29Å; Y3192-R3194 PolarHBondContact O-N 2.91Å; R3194-A3197 PolarHBondContact O-N 3.05Å; R3194-Q3198 WeakPolarHBondContact O-CB 3.32Å; R3194-Q3198 PolarHBondContact O-N 3.02Å
3195	H	76	Confident	66.5	Low	106.5 Å²	106.5	79.8 Å²	79.8	49%	0.493	41%	0.41	S	S	.	.	H	α-helix	trans	-67.2	-40.9	177	-114.3	5.1	0	0	0	112.2	P3191 Y3192 Q3198 Q3199	P3191-H3195 WeakPolarHBondContact O-CB 3.49Å; P3191-H3195 PolarHBondContact O-CD2 3.42Å; P3191-H3195 VanDerWaalsContact O-CD2 3.27Å; P3191-H3195 PolarHBondContact O-N 3.1Å; Y3192-H3195 PolarHBondContact O-N 3.11Å; Y3192-H3195 VanDerWaalsContact O-N 3.17Å; H3195-Q3198 WeakPolarHBondContact O-CB 3.47Å; H3195-Q3198 PolarHBondContact O-N 3Å; H3195-Q3199 WeakPolarHBondContact O-CG 3.27Å; H3195-Q3199 PolarHBondContact O-N 3.06Å
3196	V	73.7	Confident	65.6	Low	12 Å²	12	82.2 Å²	82.2	7%	0.073	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-45.3	173.7	172.6	0	0	0	0	110.6	I3151 F3167 Y3192 Q3198 Q3199 F3200	I3151-V3196 HydrophobicContact CD1-CG1 4.16Å; F3167-V3196 HydrophobicContact CD2-CG1 4.15Å; F3167-V3196 HydrophobicContact CE2-CG1 3.84Å; F3167-V3196 HydrophobicContact CZ-CG1 4.09Å; Y3192-V3196 HydrophobicContact CD1-CG2 4.4Å; Y3192-V3196 HydrophobicContact CD2-CG2 4.13Å; Y3192-V3196 HydrophobicContact CE1-CG2 4.18Å; Y3192-V3196 HydrophobicContact CE2-CG2 3.99Å; Y3192-V3196 WeakPolarHBondContact O-CG2 3.38Å; Y3192-V3196 PolarHBondContact O-N 3.46Å; V3196-Q3198 VanDerWaalsContact C-N 3.28Å; V3196-Q3198 PolarHBondContact O-N 3.2Å; V3196-Q3199 PolarHBondContact O-N 2.89Å; V3196-F3200 HydrophobicContact CG1-CD2 3.84Å; V3196-F3200 HydrophobicContact CG1-CE2 3.9Å; V3196-F3200 VanDerWaalsContact O-CD2 3.27Å; V3196-F3200 WeakPolarHBondContact O-CD2 3.32Å; V3196-F3200 PolarHBondContact O-N 3.12Å
3197	A	72.3	Confident	64.7	Low	8 Å²	8	83.1 Å²	83.1	7%	0.066	44%	0.441	C	S	.	.	H	α-helix	trans	-60.7	-36.5	174.1	0	0	0	0	0	112.6	I3164 F3167 L3193 R3194 F3200 L3201	I3164-A3197 HydrophobicContact CD1-CB 3.88Å; I3164-A3197 HydrophobicContact CG1-CB 3.75Å; F3167-A3197 HydrophobicContact CB-CB 4.15Å; F3167-A3197 HydrophobicContact CD2-CB 4.34Å; L3193-A3197 VanDerWaalsContact O-CB 3.29Å; L3193-A3197 WeakPolarHBondContact O-CB 3.33Å; L3193-A3197 PolarHBondContact O-N 3.22Å; R3194-A3197 PolarHBondContact O-N 3.05Å; A3197-F3200 WeakPolarHBondContact O-CB 3.46Å; A3197-F3200 PolarHBondContact O-N 3.04Å; A3197-L3201 PolarHBondContact O-N 3.48Å; A3197-L3201 VanDerWaalsContact O-N 3.1Å
3198	Q	71.2	Confident	63.4	Low	95 Å²	95	80.3 Å²	80.3	44%	0.444	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-42.5	175	-166	64.5	50.9	0	0	111.8	R3194 H3195 V3196 F3200 L3201 D3202	R3194-Q3198 WeakPolarHBondContact O-CB 3.32Å; R3194-Q3198 PolarHBondContact O-N 3.02Å; H3195-Q3198 WeakPolarHBondContact O-CB 3.47Å; H3195-Q3198 PolarHBondContact O-N 3Å; V3196-Q3198 VanDerWaalsContact C-N 3.28Å; V3196-Q3198 PolarHBondContact O-N 3.2Å; Q3198-F3200 VanDerWaalsContact C-N 3.31Å; Q3198-F3200 PolarHBondContact O-N 3.1Å; Q3198-F3200 VanDerWaalsContact O-N 3.17Å; Q3198-L3201 CarbonylContact O-C 3.57Å; Q3198-L3201 WeakPolarHBondContact O-CA 3.35Å; Q3198-L3201 VanDerWaalsContact O-CB 3.24Å; Q3198-L3201 WeakPolarHBondContact O-CB 3.36Å; Q3198-L3201 PolarHBondContact O-N 3.18Å; Q3198-D3202 PolarHBondContact NE2-OD1 3.23Å; Q3198-D3202 PolarHBondContact O-N 2.98Å
3199	Q	70.4	Confident	62.2	Low	107.5 Å²	107.5	80.4 Å²	80.4	50%	0.502	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-30.3	174.8	-74	-176.8	-45.3	0	0	113.1	H3195 V3196 L3201 D3202 N3203	H3195-Q3199 WeakPolarHBondContact O-CG 3.27Å; H3195-Q3199 PolarHBondContact O-N 3.06Å; V3196-Q3199 PolarHBondContact O-N 2.89Å; Q3199-L3201 VanDerWaalsContact C-N 3.29Å; Q3199-L3201 PolarHBondContact O-N 3.48Å; Q3199-D3202 PolarHBondContact O-N 3.41Å; Q3199-N3203 WeakPolarHBondContact O-CB 3.32Å; Q3199-N3203 PolarHBondContact O-N 3.27Å
3200	F	67.1	Low	60.6	Low	39.5 Å²	39.5	85.4 Å²	85.4	17%	0.173	48%	0.477	C	S	.	.	H	α-helix	trans	-70.2	-27.1	170.9	-80.4	-76.5	0	0	0	113.4	I3151 P3160 A3163 I3164 F3167 V3196 A3197 Q3198	I3151-F3200 HydrophobicContact CB-CZ 4.03Å; I3151-F3200 HydrophobicContact CG1-CE2 4.1Å; I3151-F3200 HydrophobicContact CG1-CZ 3.82Å; I3151-F3200 HydrophobicContact CG2-CE1 4.43Å; I3151-F3200 HydrophobicContact CG2-CZ 3.83Å; P3160-F3200 HydrophobicContact CB-CD1 4.03Å; P3160-F3200 HydrophobicContact CG-CD1 4.26Å; A3163-F3200 HydrophobicContact CB-CZ 4.49Å; I3164-F3200 HydrophobicContact CD1-CB 3.88Å; I3164-F3200 HydrophobicContact CG1-CB 3.65Å; F3167-F3200 AromaticContact CE2-CD2 3.89Å; F3167-F3200 HydrophobicContact CE2-CD2 3.89Å; F3167-F3200 AromaticContact CE2-CE2 3.81Å; F3167-F3200 HydrophobicContact CE2-CE2 3.96Å; F3167-F3200 AromaticContact CZ-CE2 3.85Å; F3167-F3200 HydrophobicContact CZ-CE2 4.15Å; F3167-F3200 HydrophobicContact CZ-CZ 4.33Å; V3196-F3200 HydrophobicContact CG1-CD2 3.84Å; V3196-F3200 HydrophobicContact CG1-CE2 3.9Å; V3196-F3200 VanDerWaalsContact O-CD2 3.27Å; V3196-F3200 WeakPolarHBondContact O-CD2 3.32Å; V3196-F3200 PolarHBondContact O-N 3.12Å; A3197-F3200 WeakPolarHBondContact O-CB 3.46Å; A3197-F3200 PolarHBondContact O-N 3.04Å; Q3198-F3200 VanDerWaalsContact C-N 3.31Å; Q3198-F3200 PolarHBondContact O-N 3.1Å; Q3198-F3200 VanDerWaalsContact O-N 3.17Å
3201	L	75	Confident	58.8	Low	89 Å²	89	91.7 Å²	91.7	47%	0.466	50%	0.502	S	S	.	.	H	α-helix	trans	-73	-50.8	169.8	-121.5	80.1	0	0	0	111.4	I3164 A3197 Q3198 Q3199 N3203 R3204	I3164-L3201 HydrophobicContact CD1-CD1 3.7Å; I3164-L3201 HydrophobicContact CG1-CD1 4.27Å; I3164-L3201 HydrophobicContact CG2-CD1 4.21Å; A3197-L3201 PolarHBondContact O-N 3.48Å; A3197-L3201 VanDerWaalsContact O-N 3.1Å; Q3198-L3201 CarbonylContact O-C 3.57Å; Q3198-L3201 WeakPolarHBondContact O-CA 3.35Å; Q3198-L3201 VanDerWaalsContact O-CB 3.24Å; Q3198-L3201 WeakPolarHBondContact O-CB 3.36Å; Q3198-L3201 PolarHBondContact O-N 3.18Å; Q3199-L3201 VanDerWaalsContact C-N 3.29Å; Q3199-L3201 PolarHBondContact O-N 3.48Å; L3201-N3203 VanDerWaalsContact C-N 3.31Å; L3201-N3203 PolarHBondContact O-N 3.14Å; L3201-R3204 WeakPolarHBondContact O-CB 3.49Å; L3201-R3204 PolarHBondContact O-N 2.89Å
3202	D	72.5	Confident	56.7	Low	86 Å²	86	94.1 Å²	94.1	46%	0.46	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-37.4	-173.2	-62.6	-14.7	0	0	0	111	Q3198 Q3199 R3204 G3205	Q3198-D3202 PolarHBondContact NE2-OD1 3.23Å; Q3198-D3202 PolarHBondContact O-N 2.98Å; Q3199-D3202 PolarHBondContact O-N 3.41Å; D3202-R3204 PolarHBondContact O-N 2.89Å; D3202-G3205 PolarHBondContact O-N 3.22Å
3203	N	61.4	Low	54.8	Low	139 Å²	139	96.8 Å²	96.8	74%	0.743	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.7	173.1	-80.9	-8.9	0	0	0	114.3	Q3199 L3201	Q3199-N3203 WeakPolarHBondContact O-CB 3.32Å; Q3199-N3203 PolarHBondContact O-N 3.27Å; L3201-N3203 VanDerWaalsContact C-N 3.31Å; L3201-N3203 PolarHBondContact O-N 3.14Å
3204	R	54.1	Low	52.8	Low	144 Å²	144	103.3 Å²	103.3	54%	0.543	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-13.7	168.5	-84.9	-175.8	163.6	-167.5	-0.9	113.4	E3159 S3161 L3201 D3202	E3159-R3204 IonicContact OE1-CZ 2.67Å; E3159-R3204 IonicContact OE1-NH2 2.67Å; E3159-R3204 PolarHBondContact OE1-NH2 2.87Å; E3159-R3204 IonicContact OE2-NH2 3.58Å; S3161-R3204 PolarHBondContact OG-NH1 3.15Å; S3161-R3204 PolarHBondContact OG-NH2 2.99Å; L3201-R3204 WeakPolarHBondContact O-CB 3.49Å; L3201-R3204 PolarHBondContact O-N 2.89Å; D3202-R3204 PolarHBondContact O-N 2.89Å
3205	G	43.6	Very low	50.7	Low	65 Å²	65	100.3 Å²	100.3	67%	0.67	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-13.8	-174.4	0	0	0	0	0	115.9	D3202	D3202-G3205 PolarHBondContact O-N 3.22Å
3206	C	33.3	Very low	48.6	Very low	116 Å²	116	101.8 Å²	101.8	78%	0.784	59%	0.592	S	S	*	*			trans	-121.8	86.5	-165.9	-67.5	0	0	0	0	114.1
3207	S	33.3	Very low	46.6	Very low	101 Å²	101	106.7 Å²	106.7	71%	0.706	63%	0.626	S	S	*	*			trans	-139	59.9	161.9	-161.4	0	0	0	0	111.3
3208	G	31	Very low	44.6	Very low	53 Å²	53	114.3 Å²	114.3	55%	0.546	66%	0.66	S	S	.	*	S	Bend	trans	-98.9	152.5	163.4	0	0	0	0	0	110.4	V3210	G3208-V3210 PolarHBondContact O-N 3.48Å
3209	P	34.3	Very low	42.8	Very low	136 Å²	136	115.4 Å²	115.4	88%	0.883	68%	0.679	S	S	*	*			trans	-73.2	92.9	-173.7	29.3	-35.2	0	0	0	112.1	K3211	P3209-K3211 PolarHBondContact O-N 2.97Å
3210	V	33.9	Very low	40.7	Very low	137 Å²	137	119.5 Å²	119.5	83%	0.83	70%	0.698	S	S	*	*			trans	-74.1	97.3	173.5	-176.4	0	0	0	0	109.7	G3208	G3208-V3210 PolarHBondContact O-N 3.48Å
3211	K	30.3	Very low	39	Very low	184 Å²	184	122.8 Å²	122.8	80%	0.8	73%	0.725	S	S	*	*			trans	-58.4	126.4	168.4	-178.2	178.7	-178.6	178.5	0	109.4	P3209 S3213	P3209-K3211 PolarHBondContact O-N 2.97Å; K3211-S3213 PolarHBondContact O-N 2.87Å
3212	P	32.5	Very low	36.8	Very low	119 Å²	119	127 Å²	127	77%	0.773	74%	0.743	S	S	*	*			trans	-68.3	108.4	-179.4	26.8	-33.6	0	0	0	110.4
3213	S	32.2	Very low	34.9	Very low	112 Å²	112	128.1 Å²	128.1	78%	0.783	75%	0.752	S	S	*	*			trans	-96.4	109.7	170.4	-174.4	0	0	0	0	108.8	K3211	K3211-S3213 PolarHBondContact O-N 2.87Å
3214	I	35.7	Very low	33.4	Very low	143 Å²	143	129 Å²	129	73%	0.733	75%	0.752	S	S	*	*			trans	-75.7	125.2	172.3	-61.4	172.9	0	0	0	107.6	I3216	I3214-I3216 PolarHBondContact O-N 2.89Å; I3214-I3216 VanDerWaalsContact O-N 3.15Å
3215	P	31.9	Very low	32.4	Very low	114 Å²	114	127.5 Å²	127.5	74%	0.74	76%	0.763	S	S	*	*			trans	-76.1	103.4	179.1	29.9	-33.3	0	0	0	110.6	S3217	P3215-S3217 PolarHBondContact O-N 3.29Å
3216	I	29.8	Very low	31.7	Very low	138 Å²	138	128.6 Å²	128.6	71%	0.708	77%	0.766	S	S	*	*			trans	-77.3	115.4	170.1	-62.6	177.2	0	0	0	108.3	I3214	I3214-I3216 PolarHBondContact O-N 2.89Å; I3214-I3216 VanDerWaalsContact O-N 3.15Å
3217	S	32	Very low	31.7	Very low	114 Å²	114	128.7 Å²	128.7	80%	0.797	77%	0.768	S	S	*	*			trans	-99.2	129.2	170	-59	0	0	0	0	109.1	P3215	P3215-S3217 PolarHBondContact O-N 3.29Å
3218	H	30.7	Very low	31.4	Very low	169 Å²	169	129.3 Å²	129.3	78%	0.782	77%	0.772	S	S	*	*			trans	-89	139.2	-176.2	-69.9	-113.5	0	0	0	111.9
3219	S	32.8	Very low	31.5	Very low	118 Å²	118	134 Å²	134	83%	0.825	78%	0.784	S	S	*	*			trans	-155	130.1	158.9	56.8	0	0	0	0	109.6
3220	E	27	Very low	31.2	Very low	193 Å²	193	133.3 Å²	133.3	90%	0.902	78%	0.78	S	S	*	*			trans	-96.8	135.4	-169	-65.5	162.9	73.4	0	0	113.7
3221	S	31.7	Very low	31	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	78%	0.775	S	S	*	*			trans	-164.6	109.8	135.5	54.9	0	0	0	0	107.5
3222	Q	28.1	Very low	31.1	Very low	177 Å²	177	131.4 Å²	131.4	83%	0.827	78%	0.777	S	S	*	*				88.7	153.1	79.5	-163.8	179	31.7	0	0	112
3223	V	32.5	Very low	30.8	Very low	110 Å²	110	130.4 Å²	130.4	67%	0.667	77%	0.773	S	S	*	*			trans	85.5	91.8	175.7	-166.8	0	0	0	0	116.4
3224	H	31.5	Very low	30.8	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.736	78%	0.78	S	S	*	*				27.6	136.7	128.2	-29.6	121.6	0	0	0	118.8
3225	S	32	Very low	30.5	Very low	111 Å²	111	131 Å²	131	78%	0.776	77%	0.774	S	S	*	*			cis	-156.5	141.2	23.9	-76.8	0	0	0	0	109.1
3226	A	29.7	Very low	30.9	Very low	89 Å²	89	132 Å²	132	74%	0.736	78%	0.781	S	S	*	*				75.1	139.2	69.9	0	0	0	0	0	116.1
3227	S	31.8	Very low	30.8	Very low	118 Å²	118	129.6 Å²	129.6	83%	0.825	78%	0.777	S	S	*	*			trans	65.7	126.3	-172.7	67.7	0	0	0	0	116.1
3228	S	28.7	Very low	30.9	Very low	113 Å²	113	131 Å²	131	79%	0.79	77%	0.774	S	S	*	*			cis	86.8	156.8	11.6	-155.5	0	0	0	0	117.8
3229	I	32.8	Very low	30.8	Very low	153 Å²	153	127.8 Å²	127.8	79%	0.785	77%	0.767	S	S	*	*			trans	79.6	114.1	-179	-51.4	171.7	0	0	0	113.4
3230	C	26.8	Very low	30.8	Very low	121 Å²	121	128.9 Å²	128.9	82%	0.818	76%	0.761	S	S	*	*			cis	95.2	102.4	28.7	-171.9	0	0	0	0	115.4
3231	A	31.5	Very low	31.1	Very low	86 Å²	86	127.3 Å²	127.3	71%	0.711	75%	0.753	S	S	*	*			trans	-166.4	151.7	157.6	0	0	0	0	0	110.6
3232	K	30.6	Very low	31	Very low	195 Å²	195	130 Å²	130	85%	0.848	75%	0.753	S	S	*	*			cis	-158.6	137.3	-18.2	-115.1	165	-170	171.9	0	110.1
3233	S	27.6	Very low	31.1	Very low	98 Å²	98	128 Å²	128	69%	0.685	75%	0.747	S	S	*	*			trans	19.9	125.3	138.7	-175.8	0	0	0	0	120
3234	L	32.5	Very low	31.2	Very low	180 Å²	180	128.2 Å²	128.2	94%	0.942	75%	0.751	S	S	*	*			trans	-149.9	113.4	133.7	-110.6	156.1	0	0	0	109.6
3235	S	29.4	Very low	31.3	Very low	87 Å²	87	125.2 Å²	125.2	61%	0.608	75%	0.754	S	S	*	*			trans	-126.9	144.1	-173.4	55.2	0	0	0	0	111.2
3236	P	39.9	Very low	31.3	Very low	135 Å²	135	126.2 Å²	126.2	88%	0.877	76%	0.755	S	S	*	*			trans	-92.5	94	156.5	33.4	-27.6	0	0	0	110.4
3237	S	27.8	Very low	31.2	Very low	88 Å²	88	129 Å²	129	62%	0.615	76%	0.758	S	S	*	*			trans	-80	151.5	142.5	-158.8	0	0	0	0	106.3
3238	L	33.4	Very low	31	Very low	142 Å²	142	130 Å²	130	74%	0.743	75%	0.753	S	S	*	*				-175	123	78.9	-91.3	171.2	0	0	0	112.4
3239	T	29	Very low	30.8	Very low	103 Å²	103	129.4 Å²	129.4	63%	0.632	75%	0.748	S	S	*	*			trans	56.6	165.8	132.6	61.6	0	0	0	0	123.6
3240	M	33.3	Very low	30.6	Very low	141 Å²	141	132 Å²	132	70%	0.695	75%	0.75	S	S	*	*			trans	83.5	129.9	174.2	-49.1	-70.9	92.6	0	0	114
3241	Q	32	Very low	30.6	Very low	160 Å²	160	131.5 Å²	131.5	75%	0.748	75%	0.748	S	S	*	*			cis	-160.3	149	-1.4	-118	164.9	18.8	0	0	110.5
3242	H	30.8	Very low	30.7	Very low	163 Å²	163	133 Å²	133	76%	0.755	75%	0.75	S	S	*	*			trans	55.3	126.4	160	-113.8	-100.4	0	0	0	119.5
3243	I	30.3	Very low	31	Very low	136 Å²	136	129.3 Å²	129.3	70%	0.697	75%	0.748	S	S	*	*			cis	71.7	136.5	37.2	-53.7	173.3	0	0	0	112.6
3244	P	33.2	Very low	31.7	Very low	114 Å²	114	129.7 Å²	129.7	74%	0.74	75%	0.749	S	S	*	*			cis	-121.5	-163.7	-3.3	39.5	-22.9	0	0	0	113.9
3245	A	34.5	Very low	31.9	Very low	97 Å²	97	129.3 Å²	129.3	80%	0.802	74%	0.742	S	S	*	*			trans	-125.5	140.6	170.3	0	0	0	0	0	113.2
3246	T	32.1	Very low	32.4	Very low	132 Å²	132	134.3 Å²	134.3	81%	0.81	75%	0.747	S	S	*	*			trans	-156	124.9	167.6	46.6	0	0	0	0	106.5
3247	N	27	Very low	32.5	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	75%	0.745	S	S	*	*			cis	77.7	137.8	36.6	-158.3	13.3	0	0	0	114.5
3248	I	27.7	Very low	33.3	Very low	140 Å²	140	133.3 Å²	133.3	72%	0.718	74%	0.739	S	S	*	*			trans	66	137	-179.1	-26	179.7	0	0	0	111.3
3249	S	25.9	Very low	33.6	Very low	100 Å²	100	131 Å²	131	70%	0.699	74%	0.74	S	S	*	*			cis	-169.3	142.1	44.2	-164.6	0	0	0	0	114.5
3250	Y	27.3	Very low	34.2	Very low	207 Å²	207	131.7 Å²	131.7	81%	0.812	75%	0.749	S	S	*	*			trans	11	138	149.3	-65.1	-90.8	0	0	0	124.5
3251	S	27.1	Very low	34.4	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	75%	0.749	S	S	*	*			trans	76.8	160.1	138.8	-147.5	0	0	0	0	119.7
3252	P	34.3	Very low	34.7	Very low	118 Å²	118	128.5 Å²	128.5	77%	0.766	76%	0.755	S	S	*	*			cis	-123.1	-179.2	-34.5	24	-2.5	0	0	0	113.5
3253	S	37	Very low	35	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	75%	0.751	S	S	*	*			trans	-75.3	162.1	173.2	-39.8	0	0	0	0	114.7
3254	P	41.4	Very low	35.2	Very low	106 Å²	106	127.7 Å²	127.7	69%	0.688	76%	0.755	S	S	*	*			trans	-130.9	134.1	146.5	20.2	0.3	0	0	0	115.5
3255	H	36.9	Very low	35.4	Very low	172 Å²	172	128.8 Å²	128.8	80%	0.796	76%	0.759	S	S	*	*			trans	41.6	124.4	146	-48.9	-54	0	0	0	121.7
3256	R	40.5	Very low	35.4	Very low	192 Å²	192	128.6 Å²	128.6	73%	0.725	75%	0.752	S	S	*	*				79.2	118.7	54.7	-165.3	-168.8	-160.7	-128.2	1.9	113.5	P3258	R3256-P3258 HydrophobicContact CG-CB 4.09Å; R3256-P3258 HydrophobicContact CG-CG 4.46Å; R3256-P3258 VanDerWaalsContact CZ-CB 3.42Å
3257	P	42.1	Very low	35.7	Very low	127 Å²	127	128.2 Å²	128.2	83%	0.825	75%	0.752	S	S	*	*				-115.5	169.6	109.8	-9.3	28.7	0	0	0	114.4
3258	P	42.8	Very low	36.1	Very low	76 Å²	76	127.7 Å²	127.7	49%	0.494	75%	0.753	S	S	.	*			trans	-142.6	170.7	-157	42.5	-24.2	0	0	0	120.4	R3256	R3256-P3258 HydrophobicContact CG-CB 4.09Å; R3256-P3258 HydrophobicContact CG-CG 4.46Å; R3256-P3258 VanDerWaalsContact CZ-CB 3.42Å
3259	A	39.7	Very low	36.4	Very low	92 Å²	92	128.1 Å²	128.1	76%	0.76	76%	0.756	S	S	*	*			trans	70	145.7	154.8	0	0	0	0	0	118.5
3260	S	42.4	Very low	36.9	Very low	119 Å²	119	130.3 Å²	130.3	83%	0.832	76%	0.759	S	S	*	*			cis	-167.1	169.4	-11.7	-95.3	0	0	0	0	108.9
3261	G	36.8	Very low	37.3	Very low	66 Å²	66	127.2 Å²	127.2	68%	0.68	76%	0.756	S	S	*	*			cis	132.5	144.9	-5.6	0	0	0	0	0	114.6
3262	L	38.3	Very low	37.8	Very low	168 Å²	168	127.9 Å²	127.9	88%	0.88	76%	0.758	S	S	*	*			trans	76.8	160.1	164.1	-61.8	-175.4	0	0	0	119.7
3263	P	38.8	Very low	37.9	Very low	103 Å²	103	129 Å²	129	67%	0.669	76%	0.762	S	S	*	*			cis	-141.1	166.7	-23	33.7	-14.2	0	0	0	117.8
3264	F	32.7	Very low	37.8	Very low	178 Å²	178	130.2 Å²	130.2	78%	0.781	76%	0.76	S	S	*	*			trans	63.9	163.1	147.1	-94.2	-136.4	0	0	0	119.6
3265	V	39.3	Very low	37.8	Very low	137 Å²	137	130.3 Å²	130.3	83%	0.83	76%	0.763	S	S	*	*			cis	-132.2	172.8	24.6	-145.5	0	0	0	0	113
3266	S	32.5	Very low	37.7	Very low	93 Å²	93	128.5 Å²	128.5	65%	0.65	76%	0.759	S	S	*	*			trans	-110.6	164.6	-172.1	-67.9	0	0	0	0	114.8
3267	P	38.8	Very low	37.5	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	76%	0.76	S	S	*	*			trans	-95.6	177.1	-172.8	39	-37.6	0	0	0	115.4
3268	V	36.6	Very low	37.3	Very low	136 Å²	136	125.6 Å²	125.6	82%	0.824	76%	0.757	S	S	*	*			trans	-137.4	152.3	179.3	-180	0	0	0	0	111.6
3269	L	32.6	Very low	36.7	Very low	149 Å²	149	130.2 Å²	130.2	78%	0.78	77%	0.772	S	S	*	*			trans	-80.5	170.8	-179.4	-77.5	63.5	0	0	0	113.4
3270	I	36.2	Very low	36.5	Very low	147 Å²	147	131.9 Å²	131.9	75%	0.754	77%	0.772	S	S	*	*				172.6	125.1	111.8	-84.6	155.6	0	0	0	113.1
3271	N	36.1	Very low	35.9	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	77%	0.769	S	S	*	*			trans	35.3	145.7	150.3	-54.5	5.8	0	0	0	125.1
3272	P	38.1	Very low	36.1	Very low	125 Å²	125	134.4 Å²	134.4	81%	0.812	77%	0.766	S	S	*	*			trans	-106	164.5	165.8	41.1	-33.6	0	0	0	114.8
3273	V	36.8	Very low	36	Very low	141 Å²	141	131.3 Å²	131.3	86%	0.855	76%	0.758	S	S	*	*			trans	179.6	152.9	171.3	128.6	0	0	0	0	107.2
3274	D	34.5	Very low	35.7	Very low	142 Å²	142	130.5 Å²	130.5	76%	0.759	76%	0.755	S	S	*	*			cis	-172.4	-172.6	-25.6	-149.5	-33.9	0	0	0	108.5
3275	S	42.2	Very low	35.9	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	75%	0.752	S	S	*	*			trans	92.8	146.8	165.3	-37.1	0	0	0	0	118.8
3276	D	33.9	Very low	35.6	Very low	133 Å²	133	128.4 Å²	128.4	71%	0.711	75%	0.747	S	S	*	*			cis	-168.3	168	-29.6	-162.9	7.4	0	0	0	110.4
3277	M	36	Very low	35.9	Very low	151 Å²	151	131.4 Å²	131.4	74%	0.744	75%	0.753	S	S	*	*			trans	61.7	140.7	174	-99.9	78.6	69.7	0	0	116.3
3278	S	37.7	Very low	36	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	75%	0.75	S	S	*	*			cis	-170.7	168.7	5.7	47	0	0	0	0	108.8
3279	Q	30.2	Very low	35.8	Very low	173 Å²	173	130.7 Å²	130.7	81%	0.808	74%	0.744	S	S	*	*			cis	-172.8	166	-30.1	-172.6	175.4	9.5	0	0	107.2
3280	V	36	Very low	36.1	Very low	127 Å²	127	129.6 Å²	129.6	77%	0.77	75%	0.746	S	S	*	*			trans	71.7	97.6	173.6	-165.6	0	0	0	0	113.8
3281	D	30.2	Very low	36.2	Very low	144 Å²	144	128 Å²	128	77%	0.77	75%	0.745	S	S	*	*			cis	76.2	151.9	35.6	-140.6	45.6	0	0	0	113.4
3282	P	40.1	Very low	36.4	Very low	93 Å²	93	127.5 Å²	127.5	60%	0.604	75%	0.747	S	S	*	*				-135.1	-144.9	-75.5	42.9	-27.3	0	0	0	112.4
3283	S	36.3	Very low	36.5	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	75%	0.747	S	S	*	*			trans	83.7	153.9	156.5	89.9	0	0	0	0	117.4
3284	S	32.6	Very low	36.5	Very low	86 Å²	86	126.8 Å²	126.8	60%	0.601	75%	0.745	S	S	*	*			cis	-168.6	173.4	-24.9	49.2	0	0	0	0	110.8
3285	N	37.1	Very low	36.7	Very low	133 Å²	133	125.9 Å²	125.9	71%	0.711	75%	0.75	S	S	*	*			trans	74.9	117.1	168	-47.9	-45	0	0	0	115.2
3286	N	32.8	Very low	36.3	Very low	138 Å²	138	132.2 Å²	132.2	74%	0.738	76%	0.757	S	S	*	*				57.9	124.3	57.9	-64	-28.4	0	0	0	113.7
3287	M	38.4	Very low	36.6	Very low	155 Å²	155	134.3 Å²	134.3	76%	0.764	77%	0.768	S	S	*	*				-174.6	138.5	109.7	-95.5	-79.5	92	0	0	112.9
3288	I	40.8	Very low	36.7	Very low	146 Å²	146	133 Å²	133	75%	0.749	77%	0.77	S	S	*	*			trans	70.7	115.1	151.7	-60.3	160.9	0	0	0	118.7
3289	S	33.5	Very low	36.7	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	77%	0.772	S	S	*	*			trans	-100.3	179.1	161.1	-38.3	0	0	0	0	110.7
3290	P	38.5	Very low	37.2	Very low	126 Å²	126	129 Å²	129	82%	0.818	77%	0.774	S	S	*	*				-123.7	138.5	128	34.7	-30.5	0	0	0	112.9
3291	P	38.2	Very low	37.6	Very low	113 Å²	113	130.2 Å²	130.2	73%	0.734	78%	0.776	S	S	*	*			trans	-108.6	-151.2	-179.7	41.3	-33.4	0	0	0	113.1
3292	V	41.2	Very low	38.8	Very low	131 Å²	131	128.8 Å²	128.8	79%	0.794	78%	0.775	S	S	*	*			trans	68.9	141.5	177.8	-123.7	0	0	0	0	113.7
3293	V	39.4	Very low	39	Very low	134 Å²	134	129.4 Å²	129.4	81%	0.812	78%	0.779	S	S	*	*			cis	-135.3	152.5	15.2	-163.7	0	0	0	0	112.1
3294	S	37.5	Very low	39.1	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	78%	0.783	S	S	*	*			trans	-103.9	149.7	177.8	-58.1	0	0	0	0	113.4
3295	S	37.8	Very low	39.6	Very low	124 Å²	124	131.5 Å²	131.5	87%	0.867	79%	0.785	S	S	*	*			trans	-149.6	120.8	155.2	55.8	0	0	0	0	111.2
3296	R	34.6	Very low	39.5	Very low	241 Å²	241	132.6 Å²	132.6	91%	0.909	79%	0.791	S	S	*	*			trans	-90.9	147.6	176.5	-74.5	-177.5	171.6	-164.5	-1.5	111.4
3297	L	40.9	Very low	39.7	Very low	178 Å²	178	133 Å²	133	93%	0.932	79%	0.793	S	S	*	*			trans	-139.6	118.4	154.3	-90.9	168.7	0	0	0	109.5
3298	P	36.1	Very low	39.5	Very low	123 Å²	123	132.9 Å²	132.9	80%	0.799	79%	0.794	S	S	*	*			trans	-103.4	144.7	170.3	36	-28.8	0	0	0	111.8
3299	G	38.6	Very low	39.2	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	79%	0.794	S	S	*	*			trans	173	137.5	169.5	0	0	0	0	0	117.1
3300	S	41.3	Very low	39.1	Very low	120 Å²	120	132.5 Å²	132.5	84%	0.839	80%	0.795	S	S	*	*			trans	66.1	103.7	164.5	-150.9	0	0	0	0	119.7
3301	D	43.8	Very low	38.7	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-66	155	149.8	-54.9	-82.2	0	0	0	111.6
3302	P	55.3	Low	38.4	Very low	115 Å²	115	134.4 Å²	134.4	75%	0.747	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-94.4	143.2	161.1	34.7	-30.1	0	0	0	111.9
3303	P	45.2	Very low	37.9	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-79.8	162	-175.3	32.9	-36.9	0	0	0	114	V3305	P3303-V3305 PolarHBondContact O-N 2.85Å
3304	P	37.5	Very low	37.7	Very low	125 Å²	125	133 Å²	133	81%	0.812	79%	0.79	S	S	*	*			trans	-70.5	114.5	175.9	28.9	-34.4	0	0	0	111.7	N3306	P3304-N3306 PolarHBondContact O-N 3.26Å
3305	V	43	Very low	37.8	Very low	108 Å²	108	134.1 Å²	134.1	66%	0.655	79%	0.791	S	S	*	*			trans	-93	101.6	179.3	-178.5	0	0	0	0	110.8	P3303 N3307	P3303-V3305 PolarHBondContact O-N 2.85Å; V3305-N3307 WeakPolarHBondContact CG1-OD1 3.44Å; V3305-N3307 PolarHBondContact O-N 2.89Å; V3305-N3307 VanDerWaalsContact O-N 3.1Å
3306	N	34.8	Very low	38	Very low	156 Å²	156	134.6 Å²	134.6	83%	0.834	78%	0.78	S	S	*	*			trans	-72.9	91.4	169.1	-73.7	-23.9	0	0	0	110.8	P3304	P3304-N3306 PolarHBondContact O-N 3.26Å
3307	N	36.9	Very low	38.7	Very low	146 Å²	146	125.5 Å²	125.5	78%	0.781	75%	0.753	S	S	*	*			trans	-98.5	98.3	170.3	-85.2	3.3	0	0	0	111.6	V3305	V3305-N3307 WeakPolarHBondContact CG1-OD1 3.44Å; V3305-N3307 PolarHBondContact O-N 2.89Å; V3305-N3307 VanDerWaalsContact O-N 3.1Å
3308	I	34.6	Very low	39.8	Very low	154 Å²	154	120.2 Å²	120.2	79%	0.79	72%	0.721	S	S	*	*			trans	-69.9	155.1	159.8	-61.3	170.7	0	0	0	108.4
3309	T	34	Very low	40.6	Very low	121 Å²	121	119.8 Å²	119.8	74%	0.742	71%	0.712	S	S	*	*			trans	91	84.2	170.8	-34.4	0	0	0	0	116.2
3310	T	32.4	Very low	41.6	Very low	115 Å²	115	120 Å²	120	71%	0.706	70%	0.698	S	S	*	*				-178.5	121.5	106.3	39.1	0	0	0	0	110	N3312	T3310-N3312 PolarHBondContact O-N 3.5Å; T3310-N3312 VanDerWaalsContact O-N 3.14Å
3311	P	29.6	Very low	43.1	Very low	122 Å²	122	114.4 Å²	114.4	79%	0.792	66%	0.658	S	S	*	*			trans	-83.1	86	174.7	32.9	-32.3	0	0	0	110.6
3312	N	31.1	Very low	44.1	Very low	158 Å²	158	109.2 Å²	109.2	85%	0.845	64%	0.641	S	S	*	*			trans	-163.9	66.6	174.8	-100	-34.7	0	0	0	111.7	T3310	T3310-N3312 PolarHBondContact O-N 3.5Å; T3310-N3312 VanDerWaalsContact O-N 3.14Å
3313	S	32.6	Very low	45	Very low	98 Å²	98	108.8 Å²	108.8	69%	0.685	64%	0.641	S	S	*	*			trans	-146.8	11.5	177.8	59	0	0	0	0	115.7	V3315	S3313-V3315 PolarHBondContact O-N 3.42Å
3314	D	34.1	Very low	47	Very low	138 Å²	138	107.1 Å²	107.1	74%	0.738	63%	0.632	S	S	*	*			trans	-84.6	27.2	-169.9	-60.4	-57.1	0	0	0	115.2	Q3316	D3314-Q3316 PolarHBondContact O-N 2.9Å
3315	V	39.5	Very low	49.6	Very low	140 Å²	140	102.3 Å²	102.3	85%	0.848	60%	0.598	S	S	*	*			trans	-77.9	55.1	157.8	-167.3	0	0	0	0	108.5	S3313 S3317	S3313-V3315 PolarHBondContact O-N 3.42Å; V3315-S3317 VanDerWaalsContact C-N 3.34Å; V3315-S3317 PolarHBondContact O-N 3.37Å
3316	Q	41.7	Very low	52	Low	133 Å²	133	99.9 Å²	99.9	62%	0.621	58%	0.584	S	S	*	*			trans	-71.7	91.7	177.7	-172.2	175.2	93.7	0	0	107.6	D3314 W3318	D3314-Q3316 PolarHBondContact O-N 2.9Å; Q3316-W3318 PolarHBondContact O-N 2.91Å
3317	S	49.8	Very low	54.8	Low	51 Å²	51	96.5 Å²	96.5	36%	0.357	57%	0.565	S	S	.	*			trans	-52.3	127.2	-160.1	60.1	0	0	0	0	113.3	V3315 N3319 T3320	V3315-S3317 VanDerWaalsContact C-N 3.34Å; V3315-S3317 PolarHBondContact O-N 3.37Å; S3317-N3319 PolarHBondContact O-N 2.86Å; S3317-T3320 WeakPolarHBondContact O-CB 3.48Å; S3317-T3320 PolarHBondContact O-N 2.88Å; S3317-T3320 PolarHBondContact O-OG1 2.86Å; S3317-T3320 PolarHBondContact OG-OG1 3.32Å
3318	W	63.1	Low	57.4	Low	66 Å²	66	91.4 Å²	91.4	25%	0.25	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-55.9	-19.4	174.7	-64.4	102.6	0	0	0	113.4	Q3316 T3320 L3321 L3412 L3479 R3482 V3483 A3486 Q3488	Q3316-W3318 PolarHBondContact O-N 2.91Å; W3318-T3320 PolarHBondContact O-N 3.43Å; W3318-T3320 VanDerWaalsContact O-N 3.1Å; W3318-L3321 HydrophobicContact CE3-CD1 3.84Å; W3318-L3321 HydrophobicContact CE3-CD2 4.3Å; W3318-L3321 HydrophobicContact CE3-CG 4.09Å; W3318-L3321 VanDerWaalsContact O-CB 3.22Å; W3318-L3321 WeakPolarHBondContact O-CB 3.35Å; W3318-L3321 VanDerWaalsContact O-CG 3.22Å; W3318-L3321 WeakPolarHBondContact O-CG 3.21Å; W3318-L3321 PolarHBondContact O-N 3.49Å; W3318-L3412 HydrophobicContact CB-CD1 4.41Å; W3318-L3412 HydrophobicContact CD2-CD1 4.31Å; W3318-L3412 HydrophobicContact CE3-CD1 4Å; W3318-L3412 HydrophobicContact CG-CD1 4.49Å; W3318-L3479 HydrophobicContact CZ3-CD1 4.44Å; W3318-R3482 HydrophobicContact CH2-CB 4.03Å; W3318-R3482 HydrophobicContact CZ3-CB 4.25Å; W3318-V3483 HydrophobicContact CH2-CG2 3.99Å; W3318-V3483 HydrophobicContact CZ3-CG2 4.08Å; W3318-A3486 HydrophobicContact CZ2-CB 3.84Å; W3318-Q3488 HydrophobicContact CD2-CG 4.45Å; W3318-Q3488 HydrophobicContact CH2-CB 3.87Å; W3318-Q3488 HydrophobicContact CH2-CG 3.89Å; W3318-Q3488 HydrophobicContact CZ2-CB 3.51Å; W3318-Q3488 HydrophobicContact CZ2-CG 3.47Å; W3318-Q3488 VanDerWaalsContact CZ2-CG 3.47Å
3319	N	53.1	Low	60.1	Low	115 Å²	115	86.4 Å²	86.4	62%	0.615	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-45.9	-35.1	166.3	-50.7	8.2	0	0	0	112.9	S3317 L3321	S3317-N3319 PolarHBondContact O-N 2.86Å; N3319-L3321 PolarHBondContact O-N 3.3Å
3320	T	60.4	Low	62.8	Low	83 Å²	83	84.5 Å²	84.5	51%	0.509	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-73	-5	-179.8	-37.1	0	0	0	0	113.1	S3317 W3318 G3322 S3323	S3317-T3320 WeakPolarHBondContact O-CB 3.48Å; S3317-T3320 PolarHBondContact O-N 2.88Å; S3317-T3320 PolarHBondContact O-OG1 2.86Å; S3317-T3320 PolarHBondContact OG-OG1 3.32Å; W3318-T3320 PolarHBondContact O-N 3.43Å; W3318-T3320 VanDerWaalsContact O-N 3.1Å; T3320-G3322 VanDerWaalsContact C-N 3.28Å; T3320-G3322 PolarHBondContact O-N 2.92Å; T3320-S3323 PolarHBondContact O-OG 3.2Å
3321	L	72.7	Confident	65.6	Low	1 Å²	1	79.9 Å²	79.9	1%	0.005	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-62.3	-34.4	172.3	-74	-178.9	0	0	0	112.9	W3318 N3319 S3323 S3324 Y3325 L3412 L3479	W3318-L3321 HydrophobicContact CE3-CD1 3.84Å; W3318-L3321 HydrophobicContact CE3-CD2 4.3Å; W3318-L3321 HydrophobicContact CE3-CG 4.09Å; W3318-L3321 VanDerWaalsContact O-CB 3.22Å; W3318-L3321 WeakPolarHBondContact O-CB 3.35Å; W3318-L3321 VanDerWaalsContact O-CG 3.22Å; W3318-L3321 WeakPolarHBondContact O-CG 3.21Å; W3318-L3321 PolarHBondContact O-N 3.49Å; N3319-L3321 PolarHBondContact O-N 3.3Å; L3321-S3323 PolarHBondContact O-N 2.72Å; L3321-S3324 PolarHBondContact O-N 3.32Å; L3321-Y3325 HydrophobicContact CD2-CD2 4.04Å; L3321-Y3325 PolarHBondContact O-N 2.98Å; L3321-L3412 HydrophobicContact CD1-CD1 3.5Å; L3321-L3412 VanDerWaalsContact CD1-CD1 3.5Å; L3321-L3479 HydrophobicContact CD1-CD1 4.47Å; L3321-L3479 HydrophobicContact CD2-CD1 3.45Å; L3321-L3479 VanDerWaalsContact CD2-CD1 3.45Å
3322	G	65.8	Low	68.7	Low	43 Å²	43	78.4 Å²	78.4	44%	0.443	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-60.5	-17.2	-164.2	0	0	0	0	0	116.2	T3320	T3320-G3322 VanDerWaalsContact C-N 3.28Å; T3320-G3322 PolarHBondContact O-N 2.92Å
3323	S	73	Confident	71.7	Confident	105 Å²	105	71.2 Å²	71.2	73%	0.734	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-79.5	-24.3	174.7	57	0	0	0	0	114.4	T3320 L3321	T3320-S3323 PolarHBondContact O-OG 3.2Å; L3321-S3323 PolarHBondContact O-N 2.72Å
3324	S	86.9	Confident	74.7	Confident	72 Å²	72	67.1 Å²	67.1	50%	0.503	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-32.1	-176.2	-54.9	0	0	0	0	112.4	L3321	L3321-S3324 PolarHBondContact O-N 3.32Å
3325	Y	93.6	Very high	77.6	Confident	24 Å²	24	61.2 Å²	61.2	9%	0.094	35%	0.348	C	S	.	.	S	Bend	trans	-131.5	86	-175.1	-59.9	-67.4	0	0	0	107.8	L3321 H3345 F3346 V3347 A3476 D3478 L3479	L3321-Y3325 HydrophobicContact CD2-CD2 4.04Å; L3321-Y3325 PolarHBondContact O-N 2.98Å; Y3325-H3345 PolarHBondContact O-CD2 2.94Å; Y3325-F3346 WeakPolarHBondContact CA-O 3.24Å; Y3325-F3346 WeakPolarHBondContact CD1-O 3.33Å; Y3325-V3347 HydrophobicContact CD1-CG2 4.4Å; Y3325-V3347 HydrophobicContact CE1-CG1 4.35Å; Y3325-A3476 HydrophobicContact CE1-CB 3.77Å; Y3325-A3476 VanDerWaalsContact OH-CB 3.3Å; Y3325-A3476 WeakPolarHBondContact OH-CB 3.48Å; Y3325-D3478 PolarHBondContact OH-OD1 3.34Å; Y3325-L3479 HydrophobicContact CD1-CD2 4.06Å; Y3325-L3479 HydrophobicContact CD2-CB 4.37Å; Y3325-L3479 HydrophobicContact CD2-CD1 4.36Å; Y3325-L3479 HydrophobicContact CD2-CD2 4.04Å; Y3325-L3479 HydrophobicContact CE1-CD2 4.16Å; Y3325-L3479 HydrophobicContact CE2-CB 3.79Å; Y3325-L3479 HydrophobicContact CE2-CD2 4.15Å; Y3325-L3479 HydrophobicContact CE2-CG 4.4Å; Y3325-L3479 HydrophobicContact CG-CD2 4.01Å
3326	P	92.9	Very high	80.1	Confident	57 Å²	57	60.9 Å²	60.9	37%	0.37	34%	0.335	S	S	.	.			trans	-69.4	141.9	-168	26	-33	0	0	0	111.9	V3328 H3345 F3346	P3326-V3328 PolarHBondContact O-N 2.86Å; P3326-H3345 CarbonylContact O-C 3.59Å; P3326-H3345 WeakPolarHBondContact O-CA 3.41Å; P3326-F3346 HydrophobicContact CG-CB 4.23Å; P3326-F3346 HydrophobicContact CG-CD1 4.45Å; P3326-F3346 PolarHBondContact O-N 3.11Å
3327	L	92.3	Very high	82.6	Confident	84 Å²	84	62.2 Å²	62.2	44%	0.44	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	117.1	173.4	178.8	62.2	0	0	0	109.6	W3329 A3343	L3327-W3329 WeakPolarHBondContact CD1-O 3.3Å; L3327-A3343 HydrophobicContact CD1-CB 3.75Å
3328	V	92.2	Very high	84.7	Confident	39 Å²	39	63.2 Å²	63.2	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-22.6	-175	-75	0	0	0	0	113.7	P3326 L3344 F3346 L3354	P3326-V3328 PolarHBondContact O-N 2.86Å; V3328-L3344 HydrophobicContact CG2-CD2 4.33Å; V3328-L3344 HydrophobicContact CG2-CG 4.24Å; V3328-L3344 WeakPolarHBondContact CG2-O 3.43Å; V3328-L3344 PolarHBondContact N-O 3.1Å; V3328-F3346 HydrophobicContact CG1-CB 3.74Å; V3328-F3346 HydrophobicContact CG2-CB 4.06Å; V3328-L3354 HydrophobicContact CB-CD2 3.88Å; V3328-L3354 HydrophobicContact CG1-CD2 3.86Å; V3328-L3354 HydrophobicContact CG2-CD2 3.84Å
3329	W	91.5	Very high	86.3	Confident	50 Å²	50	63.5 Å²	63.5	19%	0.189	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	146.1	172.3	-179.8	81.9	0	0	0	110.6	L3327 L3333 V3342 L3344 M3358 L3380	L3327-W3329 WeakPolarHBondContact CD1-O 3.3Å; W3329-L3333 HydrophobicContact CH2-CD2 4.08Å; W3329-L3333 HydrophobicContact CZ3-CD2 4.07Å; W3329-V3342 HydrophobicContact CE3-CG2 4.49Å; W3329-V3342 HydrophobicContact CZ3-CG2 3.72Å; W3329-L3344 HydrophobicContact CB-CB 4.1Å; W3329-L3344 HydrophobicContact CB-CD2 4.1Å; W3329-L3344 HydrophobicContact CE3-CB 4.16Å; W3329-L3344 PolarHBondContact N-O 3.26Å; W3329-L3344 WeakPolarHBondContact O-CB 3.47Å; W3329-L3344 PolarHBondContact O-N 3.48Å; W3329-M3358 HydrophobicContact CB-CE 4.17Å; W3329-M3358 HydrophobicContact CB-SD 4.08Å; W3329-M3358 HydrophobicContact CG-CE 4.41Å; W3329-M3358 HydrophobicContact CG-SD 3.96Å; W3329-L3380 HydrophobicContact CD2-CD1 4.5Å; W3329-L3380 HydrophobicContact CE3-CD1 4.49Å; W3329-L3380 HydrophobicContact CH2-CD1 3.5Å; W3329-L3380 HydrophobicContact CH2-CG 3.76Å; W3329-L3380 HydrophobicContact CZ2-CD1 3.51Å; W3329-L3380 HydrophobicContact CZ2-CD2 4.41Å; W3329-L3380 HydrophobicContact CZ2-CG 3.63Å; W3329-L3380 HydrophobicContact CZ3-CD1 4.02Å
3330	Q	91.6	Very high	88.4	Confident	80 Å²	80	58 Å²	58	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	134.4	170.9	-172.7	177.5	-5.9	0	0	108.6	V3342 A3343	Q3330-V3342 WeakPolarHBondContact CA-O 3.31Å; Q3330-V3342 WeakPolarHBondContact CG-O 3.46Å; Q3330-A3343 HydrophobicContact CG-CB 4.34Å
3331	G	91.3	Very high	90	Very high	18 Å²	18	58.3 Å²	58.3	19%	0.186	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	-156.7	-174.4	0	0	0	0	0	112.7	R3341 V3342	G3331-R3341 CarbonylContact O-C 3.57Å; G3331-R3341 VanDerWaalsContact O-CA 3.3Å; G3331-R3341 WeakPolarHBondContact O-CA 3.41Å; G3331-V3342 PolarHBondContact N-O 3.03Å; G3331-V3342 VanDerWaalsContact N-O 3.07Å; G3331-V3342 PolarHBondContact O-N 2.93Å
3332	R	93.3	Very high	91.1	Very high	92 Å²	92	58.3 Å²	58.3	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.8	-179.5	-64.9	-176.6	-75.7	172.1	-16.6	111.1	E3339 T3340 G3377 P3379 L3380	R3332-E3339 WeakPolarHBondContact CD-OE2 3.39Å; R3332-E3339 IonicContact CZ-OE2 2.78Å; R3332-E3339 IonicContact NE-OE2 2.79Å; R3332-E3339 IonicContact NH1-OE1 3.78Å; R3332-E3339 IonicContact NH1-OE2 3.45Å; R3332-E3339 PolarHBondContact NH1-OE2 2.87Å; R3332-T3340 CarbonylContact C-O 3.55Å; R3332-T3340 WeakPolarHBondContact CA-O 3.43Å; R3332-G3377 PolarHBondContact NE-O 3.35Å; R3332-G3377 PolarHBondContact NH2-O 2.87Å; R3332-P3379 HydrophobicContact CB-CB 3.77Å; R3332-P3379 CarbonylContact O-C 3.56Å; R3332-P3379 VanDerWaalsContact O-CA 3.22Å; R3332-P3379 WeakPolarHBondContact O-CA 3.44Å; R3332-L3380 PolarHBondContact O-N 2.76Å
3333	L	94.8	Very high	92.5	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.2	160.6	-56.9	-177.6	0	0	0	108.4	W3329 E3339 T3340 V3342 L3380 F3432 L3491	W3329-L3333 HydrophobicContact CH2-CD2 4.08Å; W3329-L3333 HydrophobicContact CZ3-CD2 4.07Å; L3333-E3339 CarbonylContact O-C 3.55Å; L3333-E3339 VanDerWaalsContact O-CA 3.28Å; L3333-E3339 WeakPolarHBondContact O-CA 3.37Å; L3333-T3340 HydrophobicContact CB-CG2 4.26Å; L3333-T3340 PolarHBondContact N-O 3.06Å; L3333-T3340 PolarHBondContact O-N 3.27Å; L3333-V3342 HydrophobicContact CD1-CG1 4.31Å; L3333-V3342 HydrophobicContact CD1-CG2 3.99Å; L3333-V3342 HydrophobicContact CD2-CG2 4.39Å; L3333-V3342 HydrophobicContact CG-CG2 3.78Å; L3333-L3380 WeakPolarHBondContact CA-O 3.28Å; L3333-L3380 HydrophobicContact CD2-CB 3.97Å; L3333-L3380 HydrophobicContact CD2-CD1 4.19Å; L3333-F3432 HydrophobicContact CB-CE1 3.9Å; L3333-F3432 HydrophobicContact CB-CZ 4.44Å; L3333-F3432 WeakPolarHBondContact O-CZ 3.29Å; L3333-L3491 HydrophobicContact CD1-CD1 4.13Å
3334	S	95.1	Very high	93.5	Very high	11 Å²	11	52 Å²	52	8%	0.077	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.8	169.8	73.4	0	0	0	0	112.2	M3338 L3380 R3381 I3382	S3334-M3338 CarbonylContact C-O 3.18Å; S3334-M3338 VanDerWaalsContact CA-O 3.28Å; S3334-M3338 WeakPolarHBondContact CA-O 3.45Å; S3334-L3380 PolarHBondContact N-O 2.8Å; S3334-R3381 WeakPolarHBondContact OG-CA 3.22Å; S3334-R3381 VanDerWaalsContact OG-CG 3.31Å; S3334-R3381 WeakPolarHBondContact OG-CG 3.43Å; S3334-I3382 PolarHBondContact O-N 2.89Å
3335	L	95.8	Very high	93.9	Very high	15 Å²	15	49.6 Å²	49.6	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.3	175.9	-179.1	55.1	0	0	0	109.5	N3337 M3338 I3382 F3432 Y3435 M3436	L3335-N3337 PolarHBondContact O-N 3.16Å; L3335-M3338 PolarHBondContact N-O 3.11Å; L3335-M3338 PolarHBondContact O-N 3.18Å; L3335-M3338 VanDerWaalsContact O-N 3.1Å; L3335-I3382 HydrophobicContact CD1-CB 3.93Å; L3335-I3382 HydrophobicContact CD1-CG2 3.9Å; L3335-F3432 HydrophobicContact CB-CD1 3.73Å; L3335-F3432 HydrophobicContact CB-CE1 3.36Å; L3335-F3432 HydrophobicContact CB-CG 4.47Å; L3335-F3432 HydrophobicContact CB-CZ 3.82Å; L3335-F3432 HydrophobicContact CD2-CD1 3.94Å; L3335-F3432 HydrophobicContact CD2-CE1 4.44Å; L3335-F3432 HydrophobicContact CD2-CG 4.38Å; L3335-Y3435 HydrophobicContact CD1-CE1 4.2Å; L3335-Y3435 HydrophobicContact CD2-CD1 3.67Å; L3335-Y3435 HydrophobicContact CD2-CE1 4.09Å; L3335-Y3435 HydrophobicContact CG-CD1 4.23Å; L3335-Y3435 HydrophobicContact CG-CE1 4.32Å; L3335-M3436 HydrophobicContact CD2-CG 4.39Å
3336	K	92.4	Very high	94	Very high	133 Å²	133	50.2 Å²	50.2	58%	0.578	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	-116.6	-165.7	-49.8	171.9	-167.3	162.1	0	110.4
3337	N	92.6	Very high	94.2	Very high	161 Å²	161	48.3 Å²	48.3	86%	0.861	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	5.7	-177.5	-55.5	0.4	0	0	0	112.4	L3335	L3335-N3337 PolarHBondContact O-N 3.16Å
3338	M	95.6	Very high	94.3	Very high	72 Å²	72	49 Å²	49	36%	0.355	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.6	-175.9	-60.4	-56.6	-61.4	0	0	110.5	S3334 L3335 I3427 N3431 F3432	S3334-M3338 CarbonylContact C-O 3.18Å; S3334-M3338 VanDerWaalsContact CA-O 3.28Å; S3334-M3338 WeakPolarHBondContact CA-O 3.45Å; L3335-M3338 PolarHBondContact N-O 3.11Å; L3335-M3338 PolarHBondContact O-N 3.18Å; L3335-M3338 VanDerWaalsContact O-N 3.1Å; M3338-I3427 HydrophobicContact CE-CG2 4.18Å; M3338-N3431 HydrophobicContact CB-CB 3.93Å; M3338-N3431 HydrophobicContact CG-CB 3.82Å; M3338-F3432 HydrophobicContact CB-CE2 4.18Å; M3338-F3432 WeakPolarHBondContact O-CZ 3.49Å
3339	E	95.5	Very high	94.4	Very high	71 Å²	71	49 Å²	49	33%	0.332	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.2	173.7	-58.3	-168	-179.7	0	0	110.2	R3332 L3333 P3379	R3332-E3339 WeakPolarHBondContact CD-OE2 3.39Å; R3332-E3339 IonicContact CZ-OE2 2.78Å; R3332-E3339 IonicContact NE-OE2 2.79Å; R3332-E3339 IonicContact NH1-OE1 3.78Å; R3332-E3339 IonicContact NH1-OE2 3.45Å; R3332-E3339 PolarHBondContact NH1-OE2 2.87Å; L3333-E3339 CarbonylContact O-C 3.55Å; L3333-E3339 VanDerWaalsContact O-CA 3.28Å; L3333-E3339 WeakPolarHBondContact O-CA 3.37Å; E3339-P3379 WeakPolarHBondContact OE1-CG 3.46Å
3340	T	96.6	Very high	94.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.8	173.1	-174.4	0	0	0	0	110.9	R3332 L3333 V3342 Q3424 L3428 F3432	R3332-T3340 CarbonylContact C-O 3.55Å; R3332-T3340 WeakPolarHBondContact CA-O 3.43Å; L3333-T3340 HydrophobicContact CB-CG2 4.26Å; L3333-T3340 PolarHBondContact N-O 3.06Å; L3333-T3340 PolarHBondContact O-N 3.27Å; T3340-V3342 HydrophobicContact CG2-CG1 4.09Å; T3340-Q3424 VanDerWaalsContact CA-OE1 3.27Å; T3340-Q3424 PolarHBondContact OG1-O 2.81Å; T3340-Q3424 PolarHBondContact OG1-OE1 2.98Å; T3340-L3428 HydrophobicContact CG2-CD1 3.88Å; T3340-F3432 HydrophobicContact CG2-CD1 4.18Å; T3340-F3432 HydrophobicContact CG2-CD2 3.68Å; T3340-F3432 HydrophobicContact CG2-CE1 3.93Å; T3340-F3432 HydrophobicContact CG2-CE2 3.43Å; T3340-F3432 VanDerWaalsContact CG2-CE2 3.43Å; T3340-F3432 HydrophobicContact CG2-CG 4.07Å; T3340-F3432 HydrophobicContact CG2-CZ 3.56Å
3341	R	95.6	Very high	94.7	Very high	88 Å²	88	48.3 Å²	48.3	33%	0.332	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.9	177.4	-179.1	-177.4	-88.4	-173.7	-12.6	109.7	G3331 A3414 S3416 E3420 Q3424	G3331-R3341 CarbonylContact O-C 3.57Å; G3331-R3341 VanDerWaalsContact O-CA 3.3Å; G3331-R3341 WeakPolarHBondContact O-CA 3.41Å; R3341-A3414 WeakPolarHBondContact CB-O 3.49Å; R3341-A3414 VanDerWaalsContact CD-O 3.25Å; R3341-A3414 WeakPolarHBondContact CD-O 3.41Å; R3341-A3414 HydrophobicContact CG-CB 4.41Å; R3341-A3414 WeakPolarHBondContact CG-O 3.28Å; R3341-A3414 PolarHBondContact O-N 2.85Å; R3341-S3416 PolarHBondContact NH1-OG 2.86Å; R3341-E3420 WeakPolarHBondContact CD-OE1 3.5Å; R3341-E3420 IonicContact CZ-OE1 3.22Å; R3341-E3420 IonicContact NE-OE1 3.66Å; R3341-E3420 IonicContact NH1-OE1 3.79Å; R3341-E3420 PolarHBondContact NH1-OE1 2.9Å; R3341-E3420 IonicContact NH1-OE2 2.94Å; R3341-E3420 PolarHBondContact NH1-OE2 2.96Å; R3341-Q3424 HydrophobicContact CB-CG 4.09Å
3342	V	95.5	Very high	94.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.8	-176.2	-56.7	0	0	0	0	112.4	W3329 Q3330 G3331 L3333 T3340 A3411 L3412 L3428	W3329-V3342 HydrophobicContact CE3-CG2 4.49Å; W3329-V3342 HydrophobicContact CZ3-CG2 3.72Å; Q3330-V3342 WeakPolarHBondContact CA-O 3.31Å; Q3330-V3342 WeakPolarHBondContact CG-O 3.46Å; G3331-V3342 PolarHBondContact N-O 3.03Å; G3331-V3342 VanDerWaalsContact N-O 3.07Å; G3331-V3342 PolarHBondContact O-N 2.93Å; L3333-V3342 HydrophobicContact CD1-CG1 4.31Å; L3333-V3342 HydrophobicContact CD1-CG2 3.99Å; L3333-V3342 HydrophobicContact CD2-CG2 4.39Å; L3333-V3342 HydrophobicContact CG-CG2 3.78Å; T3340-V3342 HydrophobicContact CG2-CG1 4.09Å; V3342-A3411 HydrophobicContact CG2-CB 4.48Å; V3342-L3412 CarbonylContact C-O 3.29Å; V3342-L3412 WeakPolarHBondContact CA-O 3.42Å; V3342-L3412 VanDerWaalsContact CB-O 3.26Å; V3342-L3412 WeakPolarHBondContact CB-O 3.3Å; V3342-L3428 HydrophobicContact CG1-CD1 4.25Å
3343	A	93.9	Very high	94.8	Very high	11 Å²	11	49.2 Å²	49.2	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.1	171.4	0	0	0	0	0	109.3	L3327 Q3330 H3345 A3411 L3412 A3414	L3327-A3343 HydrophobicContact CD1-CB 3.75Å; Q3330-A3343 HydrophobicContact CG-CB 4.34Å; A3343-H3345 PolarHBondContact O-ND1 3Å; A3343-A3411 WeakPolarHBondContact O-CA 3.36Å; A3343-L3412 PolarHBondContact N-O 2.82Å; A3343-L3412 PolarHBondContact O-N 3.23Å; A3343-A3414 HydrophobicContact CB-CB 3.81Å
3344	L	95.5	Very high	94.8	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.3	-174.7	-172.6	72.7	0	0	0	109.9	V3328 W3329 M3358 C3409 A3411 V3493	V3328-L3344 HydrophobicContact CG2-CD2 4.33Å; V3328-L3344 HydrophobicContact CG2-CG 4.24Å; V3328-L3344 WeakPolarHBondContact CG2-O 3.43Å; V3328-L3344 PolarHBondContact N-O 3.1Å; W3329-L3344 HydrophobicContact CB-CB 4.1Å; W3329-L3344 HydrophobicContact CB-CD2 4.1Å; W3329-L3344 HydrophobicContact CE3-CB 4.16Å; W3329-L3344 PolarHBondContact N-O 3.26Å; W3329-L3344 WeakPolarHBondContact O-CB 3.47Å; W3329-L3344 PolarHBondContact O-N 3.48Å; L3344-M3358 HydrophobicContact CD2-CE 3.44Å; L3344-M3358 VanDerWaalsContact CD2-CE 3.44Å; L3344-C3409 HydrophobicContact CD1-CB 3.51Å; L3344-C3409 HydrophobicContact CD2-CB 4.13Å; L3344-C3409 HydrophobicContact CG-CB 3.68Å; L3344-A3411 HydrophobicContact CD1-CB 3.86Å; L3344-V3493 HydrophobicContact CD1-CB 3.91Å; L3344-V3493 HydrophobicContact CD1-CG1 4.45Å; L3344-V3493 HydrophobicContact CD1-CG2 3.75Å
3345	H	94.9	Very high	94.6	Very high	22 Å²	22	51.4 Å²	51.4	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.2	-178.7	-58.5	78.3	0	0	0	109.4	Y3325 P3326 A3343 C3409 L3410	Y3325-H3345 PolarHBondContact O-CD2 2.94Å; P3326-H3345 CarbonylContact O-C 3.59Å; P3326-H3345 WeakPolarHBondContact O-CA 3.41Å; A3343-H3345 PolarHBondContact O-ND1 3Å; H3345-C3409 CarbonylContact O-C 3.57Å; H3345-C3409 WeakPolarHBondContact O-CA 3.5Å; H3345-C3409 WeakPolarHBondContact O-CB 3.22Å; H3345-L3410 PolarHBondContact N-O 3.02Å; H3345-L3410 PolarHBondContact O-N 3.11Å
3346	F	95.9	Very high	94.3	Very high	37 Å²	37	52.7 Å²	52.7	16%	0.162	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.4	179.1	172.8	-99.5	0	0	0	111.1	Y3325 P3326 V3328 Q3348 G3349 H3351 L3354 C3407	Y3325-F3346 WeakPolarHBondContact CA-O 3.24Å; Y3325-F3346 WeakPolarHBondContact CD1-O 3.33Å; P3326-F3346 HydrophobicContact CG-CB 4.23Å; P3326-F3346 HydrophobicContact CG-CD1 4.45Å; P3326-F3346 PolarHBondContact O-N 3.11Å; V3328-F3346 HydrophobicContact CG1-CB 3.74Å; V3328-F3346 HydrophobicContact CG2-CB 4.06Å; F3346-Q3348 WeakPolarHBondContact CE2-O 3.43Å; F3346-G3349 WeakPolarHBondContact CZ-O 3.38Å; F3346-H3351 HydrophobicContact CE2-CB 4.47Å; F3346-H3351 HydrophobicContact CZ-CB 4.42Å; F3346-L3354 HydrophobicContact CB-CD2 4.49Å; F3346-L3354 HydrophobicContact CD2-CD2 3.81Å; F3346-C3407 HydrophobicContact CE2-CB 4.24Å
3347	V	95.8	Very high	94.2	Very high	16 Å²	16	46.3 Å²	46.3	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-51.6	-176.4	-177.6	0	0	0	0	112	Y3325 A3408 L3410 A3475 A3476 L3479	Y3325-V3347 HydrophobicContact CD1-CG2 4.4Å; Y3325-V3347 HydrophobicContact CE1-CG1 4.35Å; V3347-A3408 WeakPolarHBondContact CB-O 3.28Å; V3347-A3408 PolarHBondContact N-O 3.46Å; V3347-L3410 HydrophobicContact CG2-CB 4Å; V3347-A3475 HydrophobicContact CG1-CB 4Å; V3347-A3476 HydrophobicContact CG1-CB 3.61Å; V3347-L3479 HydrophobicContact CG2-CD2 3.93Å
3348	Q	94.8	Very high	93.9	Very high	99 Å²	99	40 Å²	40	46%	0.463	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.5	-176.9	-171.1	179.1	7	0	0	112.4	F3346 C3407 A3408 A3475	F3346-Q3348 WeakPolarHBondContact CE2-O 3.43Å; Q3348-C3407 CarbonylContact O-C 3.42Å; Q3348-C3407 VanDerWaalsContact O-CA 3.25Å; Q3348-C3407 WeakPolarHBondContact O-CA 3.2Å; Q3348-C3407 WeakPolarHBondContact O-CB 3.39Å; Q3348-A3408 PolarHBondContact N-O 2.93Å; Q3348-A3408 VanDerWaalsContact N-O 3.14Å; Q3348-A3408 PolarHBondContact O-N 3.42Å; Q3348-A3475 HydrophobicContact CB-CB 4.23Å
3349	G	95.4	Very high	93.4	Very high	38 Å²	38	40.7 Å²	40.7	39%	0.392	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	99.4	-154.9	162.1	0	0	0	0	0	114.2	F3346 H3351	F3346-G3349 WeakPolarHBondContact CZ-O 3.38Å; G3349-H3351 PolarHBondContact O-N 2.74Å; G3349-H3351 VanDerWaalsContact O-N 3.09Å
3350	N	95.3	Very high	92.8	Very high	39 Å²	39	38 Å²	38	21%	0.209	21%	0.208	C	C	.	.			trans	-78.1	99.5	-170.2	-173	-5.8	0	0	0	112.5	N3352 L3353 L3354 G3404 S3406	N3350-N3352 PolarHBondContact O-N 3.17Å; N3350-N3352 WeakPolarHBondContact OD1-CB 3.13Å; N3350-N3352 PolarHBondContact OD1-N 3.12Å; N3350-L3353 HydrophobicContact CB-CB 3.83Å; N3350-L3353 WeakPolarHBondContact O-CB 3.38Å; N3350-L3353 PolarHBondContact O-N 3.48Å; N3350-L3353 PolarHBondContact OD1-N 3.34Å; N3350-L3354 PolarHBondContact O-N 3.41Å; N3350-L3354 VanDerWaalsContact O-N 3.15Å; N3350-G3404 PolarHBondContact ND2-O 3.04Å; N3350-S3406 PolarHBondContact N-O 2.72Å
3351	H	93	Very high	92	Very high	77 Å²	77	38.4 Å²	38.4	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-27.2	176	-171.5	74.8	0	0	0	113.4	F3346 G3349 L3354 N3355	F3346-H3351 HydrophobicContact CE2-CB 4.47Å; F3346-H3351 HydrophobicContact CZ-CB 4.42Å; G3349-H3351 PolarHBondContact O-N 2.74Å; G3349-H3351 VanDerWaalsContact O-N 3.09Å; H3351-L3354 WeakPolarHBondContact O-CB 3.47Å; H3351-N3355 PolarHBondContact CD2-ND2 3.41Å; H3351-N3355 PolarHBondContact NE2-ND2 3.4Å; H3351-N3355 VanDerWaalsContact O-CG 3.26Å; H3351-N3355 PolarHBondContact O-N 3.32Å; H3351-N3355 PolarHBondContact O-ND2 2.82Å
3352	N	93.9	Very high	90.8	Very high	121 Å²	121	36.5 Å²	36.5	65%	0.647	21%	0.213	S	C	*	.	H	α-helix	trans	-73	-36.4	175.9	-59.2	-53.8	0	0	0	111.8	N3350 N3355 A3356	N3350-N3352 PolarHBondContact O-N 3.17Å; N3350-N3352 WeakPolarHBondContact OD1-CB 3.13Å; N3350-N3352 PolarHBondContact OD1-N 3.12Å; N3352-N3355 PolarHBondContact O-N 3.15Å; N3352-A3356 WeakPolarHBondContact O-CB 3.21Å; N3352-A3356 PolarHBondContact O-N 2.91Å
3353	L	93.6	Very high	89.4	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-44.9	173.2	-179.7	162.4	0	0	0	110.7	N3350 A3356 C3357 A3405 Y3457 I3495 T3497	N3350-L3353 HydrophobicContact CB-CB 3.83Å; N3350-L3353 WeakPolarHBondContact O-CB 3.38Å; N3350-L3353 PolarHBondContact O-N 3.48Å; N3350-L3353 PolarHBondContact OD1-N 3.34Å; L3353-A3356 PolarHBondContact O-N 3.13Å; L3353-C3357 VanDerWaalsContact O-CB 3.3Å; L3353-C3357 WeakPolarHBondContact O-CB 3.27Å; L3353-C3357 PolarHBondContact O-N 2.96Å; L3353-A3405 VanDerWaalsContact CD1-C 3.44Å; L3353-A3405 WeakPolarHBondContact CD1-O 3.39Å; L3353-Y3457 HydrophobicContact CD2-CD1 4.23Å; L3353-Y3457 HydrophobicContact CG-CD1 4.13Å; L3353-Y3457 HydrophobicContact CG-CE1 3.98Å; L3353-I3495 HydrophobicContact CD2-CB 3.95Å; L3353-I3495 HydrophobicContact CD2-CG2 3.63Å; L3353-T3497 HydrophobicContact CD1-CG2 3.71Å
3354	L	93.4	Very high	87.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-53.5	172.7	174.1	63.8	0	0	0	111.4	V3328 F3346 N3350 H3351 A3356 C3357 M3358 I3495	V3328-L3354 HydrophobicContact CB-CD2 3.88Å; V3328-L3354 HydrophobicContact CG1-CD2 3.86Å; V3328-L3354 HydrophobicContact CG2-CD2 3.84Å; F3346-L3354 HydrophobicContact CB-CD2 4.49Å; F3346-L3354 HydrophobicContact CD2-CD2 3.81Å; N3350-L3354 PolarHBondContact O-N 3.41Å; N3350-L3354 VanDerWaalsContact O-N 3.15Å; H3351-L3354 WeakPolarHBondContact O-CB 3.47Å; L3354-A3356 VanDerWaalsContact C-N 3.35Å; L3354-A3356 PolarHBondContact O-N 3.47Å; L3354-C3357 PolarHBondContact O-N 3.47Å; L3354-M3358 HydrophobicContact CD1-CE 3.76Å; L3354-M3358 HydrophobicContact CD1-CG 3.91Å; L3354-M3358 HydrophobicContact CG-CG 4.46Å; L3354-M3358 WeakPolarHBondContact O-CB 3.45Å; L3354-M3358 WeakPolarHBondContact O-CG 3.33Å; L3354-M3358 PolarHBondContact O-N 2.79Å; L3354-I3495 HydrophobicContact CD1-CD1 3.64Å
3355	N	91.1	Very high	85.4	Confident	64 Å²	64	40.7 Å²	40.7	34%	0.342	25%	0.245	S	C	.	.	H	α-helix	trans	-64.7	-37.9	-177.1	-70.1	-16.7	0	0	0	112.2	H3351 N3352 T3359	H3351-N3355 PolarHBondContact CD2-ND2 3.41Å; H3351-N3355 PolarHBondContact NE2-ND2 3.4Å; H3351-N3355 VanDerWaalsContact O-CG 3.26Å; H3351-N3355 PolarHBondContact O-N 3.32Å; H3351-N3355 PolarHBondContact O-ND2 2.82Å; N3352-N3355 PolarHBondContact O-N 3.15Å; N3355-T3359 VanDerWaalsContact O-CB 3.26Å; N3355-T3359 WeakPolarHBondContact O-CB 3.24Å; N3355-T3359 PolarHBondContact O-N 3.18Å; N3355-T3359 PolarHBondContact O-OG1 2.85Å
3356	A	89.5	Confident	83.2	Confident	41 Å²	41	40.2 Å²	40.2	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-46.4	173.7	0	0	0	0	0	112	N3352 L3353 L3354 T3359 L3360 Y3457	N3352-A3356 WeakPolarHBondContact O-CB 3.21Å; N3352-A3356 PolarHBondContact O-N 2.91Å; L3353-A3356 PolarHBondContact O-N 3.13Å; L3354-A3356 VanDerWaalsContact C-N 3.35Å; L3354-A3356 PolarHBondContact O-N 3.47Å; A3356-T3359 PolarHBondContact O-N 3.08Å; A3356-L3360 VanDerWaalsContact O-CB 3.31Å; A3356-L3360 WeakPolarHBondContact O-CB 3.26Å; A3356-L3360 PolarHBondContact O-N 2.88Å; A3356-Y3457 WeakPolarHBondContact CB-OH 3.47Å
3357	C	90.7	Very high	80.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-45.6	176.7	-174.7	0	0	0	0	111.8	L3353 L3354 L3360 L3361 Y3457 I3495	L3353-C3357 VanDerWaalsContact O-CB 3.3Å; L3353-C3357 WeakPolarHBondContact O-CB 3.27Å; L3353-C3357 PolarHBondContact O-N 2.96Å; L3354-C3357 PolarHBondContact O-N 3.47Å; C3357-L3360 PolarHBondContact O-N 3.37Å; C3357-L3361 WeakPolarHBondContact O-CB 3.35Å; C3357-L3361 WeakPolarHBondContact O-CG 3.41Å; C3357-L3361 PolarHBondContact O-N 2.91Å; C3357-Y3457 HydrophobicContact CB-CD2 3.76Å; C3357-Y3457 HydrophobicContact CB-CE2 4.14Å; C3357-Y3457 HydrophobicContact CB-CG 4.03Å; C3357-I3495 HydrophobicContact CB-CD1 4.41Å; C3357-I3495 HydrophobicContact CB-CG2 4.19Å
3358	M	87.3	Confident	78.3	Confident	27 Å²	27	44.4 Å²	44.4	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-36	177.7	-69	-63.5	171.4	0	0	112.8	W3329 L3344 L3354 L3361 A3362 I3495	W3329-M3358 HydrophobicContact CB-CE 4.17Å; W3329-M3358 HydrophobicContact CB-SD 4.08Å; W3329-M3358 HydrophobicContact CG-CE 4.41Å; W3329-M3358 HydrophobicContact CG-SD 3.96Å; L3344-M3358 HydrophobicContact CD2-CE 3.44Å; L3344-M3358 VanDerWaalsContact CD2-CE 3.44Å; L3354-M3358 HydrophobicContact CD1-CE 3.76Å; L3354-M3358 HydrophobicContact CD1-CG 3.91Å; L3354-M3358 HydrophobicContact CG-CG 4.46Å; L3354-M3358 WeakPolarHBondContact O-CB 3.45Å; L3354-M3358 WeakPolarHBondContact O-CG 3.33Å; L3354-M3358 PolarHBondContact O-N 2.79Å; M3358-L3361 HydrophobicContact SD-CD1 4.06Å; M3358-A3362 VanDerWaalsContact O-CB 3.3Å; M3358-A3362 WeakPolarHBondContact O-CB 3.19Å; M3358-A3362 PolarHBondContact O-N 3.13Å; M3358-I3495 HydrophobicContact CE-CD1 4.16Å
3359	T	83.9	Confident	75.7	Confident	87 Å²	87	44.4 Å²	44.4	53%	0.534	28%	0.278	S	S	.	.	H	α-helix	trans	-67.4	-41.2	174.1	-58.4	0	0	0	0	111.2	N3355 A3356 A3362 S3363	N3355-T3359 VanDerWaalsContact O-CB 3.26Å; N3355-T3359 WeakPolarHBondContact O-CB 3.24Å; N3355-T3359 PolarHBondContact O-N 3.18Å; N3355-T3359 PolarHBondContact O-OG1 2.85Å; A3356-T3359 PolarHBondContact O-N 3.08Å; T3359-A3362 PolarHBondContact O-N 2.99Å; T3359-S3363 WeakPolarHBondContact O-CB 3.47Å; T3359-S3363 PolarHBondContact O-N 2.95Å; T3359-S3363 PolarHBondContact O-OG 3.03Å
3360	L	82.8	Confident	73.4	Confident	16 Å²	16	44.4 Å²	44.4	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-42.8	177.4	-173.6	55.1	0	0	0	111.1	A3356 C3357 S3363 G3364 G3365 V3447 L3456 Y3457	A3356-L3360 VanDerWaalsContact O-CB 3.31Å; A3356-L3360 WeakPolarHBondContact O-CB 3.26Å; A3356-L3360 PolarHBondContact O-N 2.88Å; C3357-L3360 PolarHBondContact O-N 3.37Å; L3360-S3363 PolarHBondContact O-N 3.44Å; L3360-G3364 PolarHBondContact O-N 3.17Å; L3360-G3365 VanDerWaalsContact O-CA 3.29Å; L3360-G3365 WeakPolarHBondContact O-CA 3.37Å; L3360-G3365 PolarHBondContact O-N 3.39Å; L3360-V3447 HydrophobicContact CB-CG1 4.19Å; L3360-V3447 HydrophobicContact CD2-CG1 4.02Å; L3360-V3447 HydrophobicContact CG-CG1 3.99Å; L3360-L3456 HydrophobicContact CD2-CD1 4.17Å; L3360-Y3457 HydrophobicContact CD2-CD2 4.38Å; L3360-Y3457 HydrophobicContact CD2-CE2 4.15Å
3361	L	80.4	Confident	70.8	Confident	9 Å²	9	50.5 Å²	50.5	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-53.8	168.7	-76.9	173.5	0	0	0	111.8	C3357 M3358 S3363 G3364 I3374 L3380 V3447	C3357-L3361 WeakPolarHBondContact O-CB 3.35Å; C3357-L3361 WeakPolarHBondContact O-CG 3.41Å; C3357-L3361 PolarHBondContact O-N 2.91Å; M3358-L3361 HydrophobicContact SD-CD1 4.06Å; L3361-S3363 PolarHBondContact O-N 3.43Å; L3361-S3363 VanDerWaalsContact O-N 3.16Å; L3361-G3364 PolarHBondContact O-N 2.85Å; L3361-I3374 HydrophobicContact CB-CD1 4.06Å; L3361-I3374 HydrophobicContact CD2-CD1 3.83Å; L3361-I3374 VanDerWaalsContact O-CB 3.29Å; L3361-I3374 WeakPolarHBondContact O-CB 3.49Å; L3361-I3374 VanDerWaalsContact O-CD1 3.22Å; L3361-I3374 WeakPolarHBondContact O-CD1 3.46Å; L3361-L3380 HydrophobicContact CD1-CD1 4.27Å; L3361-L3380 HydrophobicContact CD1-CD2 4.08Å; L3361-L3380 HydrophobicContact CD2-CD2 4Å; L3361-L3380 HydrophobicContact CG-CD2 4.43Å; L3361-V3447 HydrophobicContact CD1-CG2 4.3Å; L3361-V3447 HydrophobicContact CD2-CB 4.43Å; L3361-V3447 HydrophobicContact CD2-CG1 3.9Å; L3361-V3447 HydrophobicContact CD2-CG2 3.69Å; L3361-V3447 HydrophobicContact CG-CG1 3.81Å; L3361-V3447 HydrophobicContact CG-CG2 4Å
3362	A	70.9	Confident	68.1	Low	47 Å²	47	51.3 Å²	51.3	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-30	-179.7	0	0	0	0	0	113.5	M3358 T3359 G3364 T3375	M3358-A3362 VanDerWaalsContact O-CB 3.3Å; M3358-A3362 WeakPolarHBondContact O-CB 3.19Å; M3358-A3362 PolarHBondContact O-N 3.13Å; T3359-A3362 PolarHBondContact O-N 2.99Å; A3362-G3364 VanDerWaalsContact C-N 3.26Å; A3362-G3364 PolarHBondContact O-N 2.86Å; A3362-T3375 PolarHBondContact O-N 3.3Å; A3362-T3375 PolarHBondContact O-OG1 3.12Å
3363	S	65.9	Low	65.8	Low	85 Å²	85	48.6 Å²	48.6	59%	0.594	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	0.5	176.1	-54.1	0	0	0	0	114.1	T3359 L3360 L3361	T3359-S3363 WeakPolarHBondContact O-CB 3.47Å; T3359-S3363 PolarHBondContact O-N 2.95Å; T3359-S3363 PolarHBondContact O-OG 3.03Å; L3360-S3363 PolarHBondContact O-N 3.44Å; L3361-S3363 PolarHBondContact O-N 3.43Å; L3361-S3363 VanDerWaalsContact O-N 3.16Å
3364	G	57	Low	63.9	Low	19 Å²	19	49.6 Å²	49.6	20%	0.196	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	11.3	-175.4	0	0	0	0	0	114.7	L3360 L3361 A3362 G3366	L3360-G3364 PolarHBondContact O-N 3.17Å; L3361-G3364 PolarHBondContact O-N 2.85Å; A3362-G3364 VanDerWaalsContact C-N 3.26Å; A3362-G3364 PolarHBondContact O-N 2.86Å; G3364-G3366 VanDerWaalsContact C-N 3.3Å; G3364-G3366 PolarHBondContact O-N 3.48Å
3365	G	49.1	Very low	61.8	Low	1 Å²	1	54.5 Å²	54.5	1%	0.01	33%	0.328	C	S	.	.			trans	-78.2	67.7	179.4	0	0	0	0	0	113.9	L3360 V3447 G3448	L3360-G3365 VanDerWaalsContact O-CA 3.29Å; L3360-G3365 WeakPolarHBondContact O-CA 3.37Å; L3360-G3365 PolarHBondContact O-N 3.39Å; G3365-V3447 WeakPolarHBondContact O-CG1 3.35Å; G3365-G3448 CarbonylContact C-O 3.5Å; G3365-G3448 WeakPolarHBondContact CA-O 3.33Å; G3365-G3448 PolarHBondContact O-N 2.87Å; G3365-G3448 VanDerWaalsContact O-N 3.11Å
3366	G	46.7	Very low	59.7	Low	12 Å²	12	55.2 Å²	55.2	12%	0.124	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-96.1	136.3	156.4	0	0	0	0	0	110.1	G3364 Q3368 G3448	G3364-G3366 VanDerWaalsContact C-N 3.3Å; G3364-G3366 PolarHBondContact O-N 3.48Å; G3366-Q3368 PolarHBondContact O-N 3.45Å; G3366-Q3368 VanDerWaalsContact O-O 3.09Å; G3366-G3448 CarbonylContact C-O 3.52Å; G3366-G3448 VanDerWaalsContact C-O 3.29Å
3367	G	42.8	Very low	58.4	Low	16 Å²	16	55.7 Å²	55.7	17%	0.165	35%	0.346	C	S	.	.	S	Bend	trans	-72.9	27	178	0	0	0	0	0	114.9	G3448	G3367-G3448 PolarHBondContact N-O 3.41Å
3368	Q	46.8	Very low	57.7	Low	125 Å²	125	56 Å²	56	58%	0.584	35%	0.349	S	S	*	.	S	Bend	trans	-154	160.7	-178.1	-82.9	-57.8	-69.2	0	0	107.8	G3366 Q3370	G3366-Q3368 PolarHBondContact O-N 3.45Å; G3366-Q3368 VanDerWaalsContact O-O 3.09Å; Q3368-Q3370 PolarHBondContact O-N 2.83Å
3369	P	39.8	Very low	57.7	Low	100 Å²	100	55 Å²	55	65%	0.649	35%	0.345	S	S	*	.			trans	-73.2	57.3	-177.3	31.1	-36.4	0	0	0	114	F3371	P3369-F3371 HydrophobicContact CB-CD2 4.06Å; P3369-F3371 HydrophobicContact CB-CE2 4.4Å; P3369-F3371 PolarHBondContact O-N 2.88Å
3370	Q	48.6	Very low	58	Low	37 Å²	37	51.3 Å²	51.3	17%	0.173	32%	0.322	C	S	.	.			trans	-71.6	69.5	151.8	-63.9	-162.2	30.5	0	0	108.1	Q3368 S3372 R3381	Q3368-Q3370 PolarHBondContact O-N 2.83Å; Q3370-S3372 PolarHBondContact O-N 3.34Å; Q3370-S3372 VanDerWaalsContact O-N 3.09Å; Q3370-R3381 PolarHBondContact NE2-O 3.03Å; Q3370-R3381 VanDerWaalsContact NE2-O 3.1Å
3371	F	38.7	Very low	58.5	Low	168 Å²	168	55.7 Å²	55.7	74%	0.737	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.6	113.8	179.6	-109.8	-102.4	0	0	0	111.4	P3369 L3373	P3369-F3371 HydrophobicContact CB-CD2 4.06Å; P3369-F3371 HydrophobicContact CB-CE2 4.4Å; P3369-F3371 PolarHBondContact O-N 2.88Å; F3371-L3373 VanDerWaalsContact C-N 3.29Å; F3371-L3373 WeakPolarHBondContact O-CB 3.46Å; F3371-L3373 VanDerWaalsContact O-CG 3.3Å; F3371-L3373 WeakPolarHBondContact O-CG 3.38Å; F3371-L3373 PolarHBondContact O-N 3.15Å
3372	S	37.3	Very low	59.1	Low	94 Å²	94	55.9 Å²	55.9	66%	0.657	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.6	41.5	149.3	-168.5	0	0	0	0	117.1	Q3370	Q3370-S3372 PolarHBondContact O-N 3.34Å; Q3370-S3372 VanDerWaalsContact O-N 3.09Å
3373	L	45	Very low	60	Low	63 Å²	63	57.7 Å²	57.7	33%	0.33	34%	0.344	S	S	.	.			trans	-117.7	-28.9	-171.9	-91.2	178.5	0	0	0	116	F3371 S3376 G3377 G3378	F3371-L3373 VanDerWaalsContact C-N 3.29Å; F3371-L3373 WeakPolarHBondContact O-CB 3.46Å; F3371-L3373 VanDerWaalsContact O-CG 3.3Å; F3371-L3373 WeakPolarHBondContact O-CG 3.38Å; F3371-L3373 PolarHBondContact O-N 3.15Å; L3373-S3376 CarbonylContact O-C 3.42Å; L3373-S3376 WeakPolarHBondContact O-CA 3.35Å; L3373-S3376 PolarHBondContact O-N 3.14Å; L3373-S3376 PolarHBondContact O-OG 3Å; L3373-S3376 VanDerWaalsContact O-OG 3.12Å; L3373-G3377 PolarHBondContact O-N 2.84Å; L3373-G3377 VanDerWaalsContact O-N 3.11Å; L3373-G3378 PolarHBondContact O-N 2.97Å
3374	I	54.7	Low	61.4	Low	31 Å²	31	58.6 Å²	58.6	16%	0.159	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-73	-36.6	-175	-53.3	170.5	0	0	0	110.2	L3361 S3376 G3377 L3380	L3361-I3374 HydrophobicContact CB-CD1 4.06Å; L3361-I3374 HydrophobicContact CD2-CD1 3.83Å; L3361-I3374 VanDerWaalsContact O-CB 3.29Å; L3361-I3374 WeakPolarHBondContact O-CB 3.49Å; L3361-I3374 VanDerWaalsContact O-CD1 3.22Å; L3361-I3374 WeakPolarHBondContact O-CD1 3.46Å; I3374-S3376 PolarHBondContact O-N 3.21Å; I3374-S3376 VanDerWaalsContact O-N 3.11Å; I3374-G3377 PolarHBondContact O-N 2.64Å; I3374-L3380 HydrophobicContact CD1-CD2 3.52Å; I3374-L3380 HydrophobicContact CG1-CD2 4.08Å; I3374-L3380 HydrophobicContact CG2-CD2 4.44Å
3375	T	48.1	Very low	63.3	Low	103 Å²	103	65.2 Å²	65.2	63%	0.632	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.2	-12.2	168.6	-31.2	0	0	0	0	113.3	A3362	A3362-T3375 PolarHBondContact O-N 3.3Å; A3362-T3375 PolarHBondContact O-OG1 3.12Å
3376	S	48.9	Very low	65.6	Low	79 Å²	79	66.2 Å²	66.2	55%	0.552	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-124.2	28.3	176.2	74.4	0	0	0	0	113	L3373 I3374 G3378	L3373-S3376 CarbonylContact O-C 3.42Å; L3373-S3376 WeakPolarHBondContact O-CA 3.35Å; L3373-S3376 PolarHBondContact O-N 3.14Å; L3373-S3376 PolarHBondContact O-OG 3Å; L3373-S3376 VanDerWaalsContact O-OG 3.12Å; I3374-S3376 PolarHBondContact O-N 3.21Å; I3374-S3376 VanDerWaalsContact O-N 3.11Å; S3376-G3378 VanDerWaalsContact C-N 3.32Å; S3376-G3378 PolarHBondContact O-N 3.32Å
3377	G	60.6	Low	68	Low	50 Å²	50	72.8 Å²	72.8	52%	0.515	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	13.2	171	0	0	0	0	0	116.8	R3332 L3373 I3374	R3332-G3377 PolarHBondContact NE-O 3.35Å; R3332-G3377 PolarHBondContact NH2-O 2.87Å; L3373-G3377 PolarHBondContact O-N 2.84Å; L3373-G3377 VanDerWaalsContact O-N 3.11Å; I3374-G3377 PolarHBondContact O-N 2.64Å
3378	G	76.9	Confident	70.7	Confident	7 Å²	7	73.4 Å²	73.4	7%	0.072	38%	0.383	C	S	.	.			trans	-71.4	167.1	173.2	0	0	0	0	0	113.7	L3373 S3376	L3373-G3378 PolarHBondContact O-N 2.97Å; S3376-G3378 VanDerWaalsContact C-N 3.32Å; S3376-G3378 PolarHBondContact O-N 3.32Å
3379	P	87.9	Confident	73.1	Confident	5 Å²	5	71 Å²	71	3%	0.032	37%	0.372	C	S	.	.			trans	-77.9	148.7	-173.4	33.2	-39.3	0	0	0	114	R3332 E3339 R3381	R3332-P3379 HydrophobicContact CB-CB 3.77Å; R3332-P3379 CarbonylContact O-C 3.56Å; R3332-P3379 VanDerWaalsContact O-CA 3.22Å; R3332-P3379 WeakPolarHBondContact O-CA 3.44Å; E3339-P3379 WeakPolarHBondContact OE1-CG 3.46Å; P3379-R3381 HydrophobicContact CG-CG 4.43Å; P3379-R3381 WeakPolarHBondContact O-CG 3.3Å; P3379-R3381 PolarHBondContact O-N 2.93Å
3380	L	89.8	Confident	75.7	Confident	11 Å²	11	71.4 Å²	71.4	6%	0.058	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	114.2	161.9	-58.3	-176.3	0	0	0	108.8	W3329 R3332 L3333 S3334 L3361 I3374 I3445	W3329-L3380 HydrophobicContact CD2-CD1 4.5Å; W3329-L3380 HydrophobicContact CE3-CD1 4.49Å; W3329-L3380 HydrophobicContact CH2-CD1 3.5Å; W3329-L3380 HydrophobicContact CH2-CG 3.76Å; W3329-L3380 HydrophobicContact CZ2-CD1 3.51Å; W3329-L3380 HydrophobicContact CZ2-CD2 4.41Å; W3329-L3380 HydrophobicContact CZ2-CG 3.63Å; W3329-L3380 HydrophobicContact CZ3-CD1 4.02Å; R3332-L3380 PolarHBondContact O-N 2.76Å; L3333-L3380 WeakPolarHBondContact CA-O 3.28Å; L3333-L3380 HydrophobicContact CD2-CB 3.97Å; L3333-L3380 HydrophobicContact CD2-CD1 4.19Å; S3334-L3380 PolarHBondContact N-O 2.8Å; L3361-L3380 HydrophobicContact CD1-CD1 4.27Å; L3361-L3380 HydrophobicContact CD1-CD2 4.08Å; L3361-L3380 HydrophobicContact CD2-CD2 4Å; L3361-L3380 HydrophobicContact CG-CD2 4.43Å; I3374-L3380 HydrophobicContact CD1-CD2 3.52Å; I3374-L3380 HydrophobicContact CG1-CD2 4.08Å; I3374-L3380 HydrophobicContact CG2-CD2 4.44Å; L3380-I3445 HydrophobicContact CB-CD1 3.95Å
3381	R	92	Very high	78	Confident	108 Å²	108	73.2 Å²	73.2	41%	0.408	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.9	-173.4	-46.2	-161.3	163.1	-176.2	-7.6	112.1	S3334 Q3370 P3379 V3383	S3334-R3381 WeakPolarHBondContact OG-CA 3.22Å; S3334-R3381 VanDerWaalsContact OG-CG 3.31Å; S3334-R3381 WeakPolarHBondContact OG-CG 3.43Å; Q3370-R3381 PolarHBondContact NE2-O 3.03Å; Q3370-R3381 VanDerWaalsContact NE2-O 3.1Å; P3379-R3381 HydrophobicContact CG-CG 4.43Å; P3379-R3381 WeakPolarHBondContact O-CG 3.3Å; P3379-R3381 PolarHBondContact O-N 2.93Å; R3381-V3383 HydrophobicContact CB-CG1 4.01Å; R3381-V3383 PolarHBondContact O-N 3.27Å
3382	I	94.4	Very high	80.8	Confident	12 Å²	12	68.2 Å²	68.2	6%	0.062	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	103.3	170.1	-54.1	-178.5	0	0	0	107.8	S3334 L3335 F3432 I3445 I3461	S3334-I3382 PolarHBondContact O-N 2.89Å; L3335-I3382 HydrophobicContact CD1-CB 3.93Å; L3335-I3382 HydrophobicContact CD1-CG2 3.9Å; I3382-F3432 HydrophobicContact CD1-CD1 4.31Å; I3382-F3432 HydrophobicContact CD1-CE1 4.36Å; I3382-I3445 HydrophobicContact CG1-CD1 4.2Å; I3382-I3445 HydrophobicContact CG1-CG1 4.35Å; I3382-I3461 HydrophobicContact CD1-CD1 3.77Å; I3382-I3461 HydrophobicContact CD1-CG2 4.41Å; I3382-I3461 HydrophobicContact CG1-CD1 3.91Å
3383	V	89.4	Confident	83.7	Confident	86 Å²	86	65.2 Å²	65.2	52%	0.521	35%	0.351	S	S	.	.			trans	-109.6	-17.2	-172.5	-68.2	0	0	0	0	113.7	R3381 I3444	R3381-V3383 HydrophobicContact CB-CG1 4.01Å; R3381-V3383 PolarHBondContact O-N 3.27Å; V3383-I3444 PolarHBondContact N-O 3.45Å
3384	Q	94.8	Very high	86.1	Confident	104 Å²	104	67 Å²	67	49%	0.486	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	172.4	178.2	-73.5	-179.4	-1.6	0	0	110.4	I3444 N3446	Q3384-I3444 HydrophobicContact CB-CB 3.75Å; Q3384-I3444 HydrophobicContact CB-CG2 3.9Å; Q3384-I3444 PolarHBondContact N-O 3.11Å; Q3384-I3444 PolarHBondContact O-N 3.4Å; Q3384-N3446 PolarHBondContact OE1-ND2 2.69Å
3385	R	96.8	Very high	88.1	Confident	157 Å²	157	66.8 Å²	66.8	59%	0.592	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.9	176.4	63.8	-179.6	173.2	164.2	-1.3	111.2	A3441 A3442	R3385-A3441 HydrophobicContact CB-CB 4.16Å; R3385-A3442 CarbonylContact C-O 3.59Å; R3385-A3442 WeakPolarHBondContact CA-O 3.23Å
3386	M	98	Very high	90.4	Very high	22 Å²	22	62.1 Å²	62.1	11%	0.108	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.9	169.8	-176.5	-171.9	79.1	0	0	107.5	Q3392 L3393 V3396 A3441 A3442 I3444 F3462	M3386-Q3392 HydrophobicContact CE-CB 4.44Å; M3386-Q3392 HydrophobicContact CG-CB 3.89Å; M3386-Q3392 HydrophobicContact CG-CG 4.48Å; M3386-Q3392 HydrophobicContact SD-CB 4.01Å; M3386-L3393 HydrophobicContact CE-CD2 4.22Å; M3386-V3396 HydrophobicContact CE-CG2 3.87Å; M3386-V3396 HydrophobicContact SD-CG2 3.91Å; M3386-A3441 CarbonylContact O-C 3.59Å; M3386-A3441 WeakPolarHBondContact O-CA 3.41Å; M3386-A3441 VanDerWaalsContact O-CB 3.25Å; M3386-A3441 WeakPolarHBondContact O-CB 3.2Å; M3386-A3442 HydrophobicContact CE-CB 4.4Å; M3386-A3442 PolarHBondContact N-O 3.46Å; M3386-A3442 PolarHBondContact O-N 3.01Å; M3386-I3444 HydrophobicContact CB-CD1 3.76Å; M3386-I3444 HydrophobicContact CB-CG1 3.75Å; M3386-F3462 HydrophobicContact CE-CE1 3.79Å; M3386-F3462 HydrophobicContact CE-CZ 3.77Å
3387	R	97.7	Very high	92.7	Very high	151 Å²	151	60.7 Å²	60.7	57%	0.57	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	150.3	177.2	-60.9	178.8	177.9	178.6	-0.2	109.7	E3389 Q3392 M3440	R3387-E3389 HydrophobicContact CB-CB 4.4Å; R3387-E3389 HydrophobicContact CB-CG 3.84Å; R3387-E3389 VanDerWaalsContact CD-CD 3.42Å; R3387-E3389 WeakPolarHBondContact CD-OE1 3.28Å; R3387-E3389 IonicContact CZ-OE1 2.67Å; R3387-E3389 IonicContact NE-OE1 3.88Å; R3387-E3389 IonicContact NH1-OE1 3.95Å; R3387-E3389 PolarHBondContact NH1-OE1 3.04Å; R3387-E3389 PolarHBondContact O-N 3.29Å; R3387-Q3392 WeakPolarHBondContact O-CB 3.44Å; R3387-Q3392 PolarHBondContact O-OE1 2.79Å; R3387-M3440 CarbonylContact C-O 3.58Å; R3387-M3440 WeakPolarHBondContact CA-O 3.46Å
3388	L	97.7	Very high	94.4	Very high	29 Å²	29	65.4 Å²	65.4	15%	0.152	32%	0.322	C	S	.	.			trans	-79	44.5	172.2	-55.7	177.3	0	0	0	110.8	L3393 M3440 A3442 F3462 P3463 C3465	L3388-L3393 HydrophobicContact CD2-CD2 3.95Å; L3388-M3440 PolarHBondContact N-O 2.84Å; L3388-A3442 HydrophobicContact CD2-CB 4.23Å; L3388-F3462 HydrophobicContact CD2-CD1 3.63Å; L3388-F3462 HydrophobicContact CD2-CE1 3.79Å; L3388-P3463 HydrophobicContact CD1-CG 4.46Å; L3388-C3465 HydrophobicContact CD1-CB 4.3Å
3389	E	97.3	Very high	95.3	Very high	73 Å²	73	67.4 Å²	67.4	34%	0.341	33%	0.328	S	S	.	.			trans	-85.9	141.9	175.2	-74.2	171	177.3	0	0	109.6	R3387 A3391 Q3392 L3393	R3387-E3389 HydrophobicContact CB-CB 4.4Å; R3387-E3389 HydrophobicContact CB-CG 3.84Å; R3387-E3389 VanDerWaalsContact CD-CD 3.42Å; R3387-E3389 WeakPolarHBondContact CD-OE1 3.28Å; R3387-E3389 IonicContact CZ-OE1 2.67Å; R3387-E3389 IonicContact NE-OE1 3.88Å; R3387-E3389 IonicContact NH1-OE1 3.95Å; R3387-E3389 PolarHBondContact NH1-OE1 3.04Å; R3387-E3389 PolarHBondContact O-N 3.29Å; E3389-A3391 VanDerWaalsContact C-N 3.32Å; E3389-A3391 PolarHBondContact O-N 3.33Å; E3389-A3391 VanDerWaalsContact O-N 3.15Å; E3389-Q3392 HydrophobicContact CB-CG 4.16Å; E3389-Q3392 WeakPolarHBondContact O-CB 3.46Å; E3389-Q3392 PolarHBondContact O-N 2.91Å; E3389-Q3392 PolarHBondContact OE2-NE2 2.78Å; E3389-L3393 PolarHBondContact O-N 3.3Å
3390	P	95.9	Very high	95.7	Very high	110 Å²	110	68.6 Å²	68.6	71%	0.714	33%	0.334	S	S	*	.	H	α-helix	trans	-51.2	-43.9	-173.9	-31	36.2	0	0	0	114.7	Q3392 L3393 E3394	P3390-Q3392 VanDerWaalsContact C-N 3.29Å; P3390-Q3392 PolarHBondContact O-N 3.15Å; P3390-L3393 PolarHBondContact O-N 2.88Å; P3390-E3394 WeakPolarHBondContact O-CB 3.11Å; P3390-E3394 PolarHBondContact O-N 2.79Å
3391	A	96.3	Very high	95.9	Very high	74 Å²	74	74 Å²	74	61%	0.612	36%	0.363	S	S	*	.	H	α-helix	trans	-65.3	-28.4	179	0	0	0	0	0	113.8	E3389 G3395	E3389-A3391 VanDerWaalsContact C-N 3.32Å; E3389-A3391 PolarHBondContact O-N 3.33Å; E3389-A3391 VanDerWaalsContact O-N 3.15Å; A3391-G3395 PolarHBondContact O-N 3.23Å
3392	Q	96.9	Very high	95.9	Very high	63 Å²	63	74 Å²	74	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-79	-41.7	176.5	-54.7	-169.1	32.8	0	0	110.1	M3386 R3387 E3389 P3390 G3395 V3396	M3386-Q3392 HydrophobicContact CE-CB 4.44Å; M3386-Q3392 HydrophobicContact CG-CB 3.89Å; M3386-Q3392 HydrophobicContact CG-CG 4.48Å; M3386-Q3392 HydrophobicContact SD-CB 4.01Å; R3387-Q3392 WeakPolarHBondContact O-CB 3.44Å; R3387-Q3392 PolarHBondContact O-OE1 2.79Å; E3389-Q3392 HydrophobicContact CB-CG 4.16Å; E3389-Q3392 WeakPolarHBondContact O-CB 3.46Å; E3389-Q3392 PolarHBondContact O-N 2.91Å; E3389-Q3392 PolarHBondContact OE2-NE2 2.78Å; P3390-Q3392 VanDerWaalsContact C-N 3.29Å; P3390-Q3392 PolarHBondContact O-N 3.15Å; Q3392-G3395 PolarHBondContact O-N 3.49Å; Q3392-V3396 PolarHBondContact O-N 3.03Å
3393	L	97.7	Very high	95.7	Very high	31 Å²	31	81.5 Å²	81.5	16%	0.162	40%	0.403	C	S	.	.	H	α-helix	trans	-64.2	-39.6	174.8	-62.1	177.2	0	0	0	112.5	M3386 L3388 E3389 P3390 G3395 V3396 Q3397 F3462 F3467	M3386-L3393 HydrophobicContact CE-CD2 4.22Å; L3388-L3393 HydrophobicContact CD2-CD2 3.95Å; E3389-L3393 PolarHBondContact O-N 3.3Å; P3390-L3393 PolarHBondContact O-N 2.88Å; L3393-G3395 VanDerWaalsContact C-N 3.28Å; L3393-G3395 PolarHBondContact O-N 3.42Å; L3393-V3396 PolarHBondContact O-N 2.97Å; L3393-V3396 VanDerWaalsContact O-N 3.15Å; L3393-Q3397 PolarHBondContact O-N 3.21Å; L3393-F3462 HydrophobicContact CD2-CE1 3.68Å; L3393-F3462 HydrophobicContact CD2-CZ 4.43Å; L3393-F3467 HydrophobicContact CB-CD2 4.27Å; L3393-F3467 HydrophobicContact CD1-CB 4.33Å; L3393-F3467 HydrophobicContact CD2-CB 4.2Å; L3393-F3467 HydrophobicContact CD2-CD1 4.24Å; L3393-F3467 HydrophobicContact CD2-CD2 4.23Å; L3393-F3467 HydrophobicContact CD2-CG 3.96Å
3394	E	97.1	Very high	95.9	Very high	101 Å²	101	78.8 Å²	78.8	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-35.9	175.2	-165.6	-146.2	120.6	0	0	111.9	P3390 Q3397 R3398	P3390-E3394 WeakPolarHBondContact O-CB 3.11Å; P3390-E3394 PolarHBondContact O-N 2.79Å; E3394-Q3397 PolarHBondContact O-N 3.43Å; E3394-R3398 WeakPolarHBondContact O-CB 3.33Å; E3394-R3398 WeakPolarHBondContact O-CG 3.34Å; E3394-R3398 PolarHBondContact O-N 2.84Å; E3394-R3398 IonicContact OE1-CZ 3.5Å; E3394-R3398 IonicContact OE1-NE 3.65Å; E3394-R3398 PolarHBondContact OE1-NE 2.87Å; E3394-R3398 IonicContact OE1-NH2 2.68Å; E3394-R3398 PolarHBondContact OE1-NH2 3.48Å
3395	G	95.6	Very high	95.9	Very high	27 Å²	27	74.1 Å²	74.1	28%	0.278	37%	0.371	S	S	.	.	H	α-helix	trans	-61.8	-41.3	172.6	0	0	0	0	0	112.9	A3391 Q3392 L3393 K3399	A3391-G3395 PolarHBondContact O-N 3.23Å; Q3392-G3395 PolarHBondContact O-N 3.49Å; L3393-G3395 VanDerWaalsContact C-N 3.28Å; L3393-G3395 PolarHBondContact O-N 3.42Å; G3395-K3399 PolarHBondContact O-N 2.85Å
3396	V	97	Very high	95.9	Very high	5 Å²	5	67 Å²	67	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-41.3	175.2	-177.3	0	0	0	0	111.2	M3386 Q3392 L3393 R3398 K3399 L3400 F3462 F3467 V3494	M3386-V3396 HydrophobicContact CE-CG2 3.87Å; M3386-V3396 HydrophobicContact SD-CG2 3.91Å; Q3392-V3396 PolarHBondContact O-N 3.03Å; L3393-V3396 PolarHBondContact O-N 2.97Å; L3393-V3396 VanDerWaalsContact O-N 3.15Å; V3396-R3398 VanDerWaalsContact C-N 3.34Å; V3396-R3398 PolarHBondContact O-N 2.68Å; V3396-K3399 PolarHBondContact O-N 3.31Å; V3396-K3399 VanDerWaalsContact O-N 3.12Å; V3396-L3400 HydrophobicContact CG1-CD1 4.16Å; V3396-L3400 HydrophobicContact CG1-CG 4.48Å; V3396-L3400 PolarHBondContact O-N 3.36Å; V3396-F3462 HydrophobicContact CG1-CE2 4.33Å; V3396-F3462 HydrophobicContact CG1-CZ 4.19Å; V3396-F3462 HydrophobicContact CG2-CZ 4.33Å; V3396-F3467 HydrophobicContact CB-CZ 4.22Å; V3396-F3467 HydrophobicContact CG1-CE1 4.25Å; V3396-F3467 HydrophobicContact CG1-CZ 3.93Å; V3396-V3494 HydrophobicContact CG1-CB 4.42Å; V3396-V3494 HydrophobicContact CG1-CG1 3.96Å
3397	Q	97	Very high	95.8	Very high	49 Å²	49	65.9 Å²	65.9	23%	0.229	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-42.8	176.7	-170	68.6	72.6	0	0	111.8	L3393 E3394 K3399 L3400 N3401 F3467	L3393-Q3397 PolarHBondContact O-N 3.21Å; E3394-Q3397 PolarHBondContact O-N 3.43Å; Q3397-K3399 VanDerWaalsContact C-N 3.26Å; Q3397-K3399 PolarHBondContact O-N 3.33Å; Q3397-L3400 PolarHBondContact O-N 3.44Å; Q3397-N3401 PolarHBondContact NE2-OD1 3.43Å; Q3397-N3401 WeakPolarHBondContact O-CB 3.34Å; Q3397-N3401 VanDerWaalsContact O-CG 3.24Å; Q3397-N3401 PolarHBondContact O-N 3.39Å; Q3397-N3401 PolarHBondContact O-OD1 2.82Å; Q3397-F3467 HydrophobicContact CB-CE2 4.39Å
3398	R	96	Very high	95.8	Very high	149 Å²	149	59 Å²	59	56%	0.562	32%	0.315	S	S	*	.	H	α-helix	trans	-60.5	-35.3	176.4	-80.8	-173.9	-87.4	138.5	-8.8	112.5	E3394 V3396 Q3402	E3394-R3398 WeakPolarHBondContact O-CB 3.33Å; E3394-R3398 WeakPolarHBondContact O-CG 3.34Å; E3394-R3398 PolarHBondContact O-N 2.84Å; E3394-R3398 IonicContact OE1-CZ 3.5Å; E3394-R3398 IonicContact OE1-NE 3.65Å; E3394-R3398 PolarHBondContact OE1-NE 2.87Å; E3394-R3398 IonicContact OE1-NH2 2.68Å; E3394-R3398 PolarHBondContact OE1-NH2 3.48Å; V3396-R3398 VanDerWaalsContact C-N 3.34Å; V3396-R3398 PolarHBondContact O-N 2.68Å; R3398-Q3402 WeakPolarHBondContact O-CB 3.34Å; R3398-Q3402 PolarHBondContact O-N 2.81Å
3399	K	95.6	Very high	95.7	Very high	49 Å²	49	57.6 Å²	57.6	21%	0.213	31%	0.308	C	S	.	.	H	α-helix	trans	-79.4	-26.9	175.2	-66.9	-165.5	174.4	-174.1	0	113.8	G3395 V3396 Q3397 Q3402 S3406 T3496 T3497 V3498	G3395-K3399 PolarHBondContact O-N 2.85Å; V3396-K3399 PolarHBondContact O-N 3.31Å; V3396-K3399 VanDerWaalsContact O-N 3.12Å; Q3397-K3399 VanDerWaalsContact C-N 3.26Å; Q3397-K3399 PolarHBondContact O-N 3.33Å; K3399-Q3402 PolarHBondContact O-N 2.94Å; K3399-S3406 VanDerWaalsContact O-CB 3.27Å; K3399-S3406 WeakPolarHBondContact O-CB 3.16Å; K3399-S3406 PolarHBondContact O-OG 2.7Å; K3399-T3496 HydrophobicContact CB-CG2 3.73Å; K3399-T3496 HydrophobicContact CD-CG2 4.05Å; K3399-T3497 PolarHBondContact NZ-O 2.73Å; K3399-V3498 PolarHBondContact NZ-OXT 2.72Å
3400	L	95.7	Very high	95.7	Very high	30 Å²	30	54.1 Å²	54.1	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-35.8	168.8	-77.2	170.1	0	0	0	112.4	V3396 Q3397 Q3402 S3406 A3408 F3467 Q3471 V3494	V3396-L3400 HydrophobicContact CG1-CD1 4.16Å; V3396-L3400 HydrophobicContact CG1-CG 4.48Å; V3396-L3400 PolarHBondContact O-N 3.36Å; Q3397-L3400 PolarHBondContact O-N 3.44Å; L3400-Q3402 VanDerWaalsContact C-N 3.28Å; L3400-Q3402 PolarHBondContact O-N 2.89Å; L3400-S3406 WeakPolarHBondContact CA-OG 3.48Å; L3400-A3408 HydrophobicContact CD2-CB 4.45Å; L3400-F3467 HydrophobicContact CD1-CE1 4.46Å; L3400-F3467 HydrophobicContact CD1-CZ 3.85Å; L3400-Q3471 HydrophobicContact CD1-CG 3.84Å; L3400-V3494 HydrophobicContact CD1-CG1 4.3Å; L3400-V3494 HydrophobicContact CD1-CG2 4.27Å; L3400-V3494 HydrophobicContact CD2-CG1 3.66Å; L3400-V3494 HydrophobicContact CD2-CG2 4.34Å; L3400-V3494 HydrophobicContact CG-CG1 3.99Å
3401	N	93.9	Very high	95.8	Very high	125 Å²	125	49 Å²	49	67%	0.668	26%	0.258	S	S	*	.	S	Bend	trans	-80.3	-7.3	176.6	-63.6	10.9	0	0	0	113.1	Q3397	Q3397-N3401 PolarHBondContact NE2-OD1 3.43Å; Q3397-N3401 WeakPolarHBondContact O-CB 3.34Å; Q3397-N3401 VanDerWaalsContact O-CG 3.24Å; Q3397-N3401 PolarHBondContact O-N 3.39Å; Q3397-N3401 PolarHBondContact O-OD1 2.82Å
3402	Q	93.7	Very high	95.8	Very high	107 Å²	107	45.8 Å²	45.8	50%	0.5	23%	0.231	S	C	.	.	S	Bend	trans	-95.6	110.3	179.4	-176.8	-178.1	-3	0	0	110.2	R3398 K3399 L3400 A3405	R3398-Q3402 WeakPolarHBondContact O-CB 3.34Å; R3398-Q3402 PolarHBondContact O-N 2.81Å; K3399-Q3402 PolarHBondContact O-N 2.94Å; L3400-Q3402 VanDerWaalsContact C-N 3.28Å; L3400-Q3402 PolarHBondContact O-N 2.89Å; Q3402-A3405 HydrophobicContact CB-CB 3.95Å; Q3402-A3405 HydrophobicContact CG-CB 3.66Å; Q3402-A3405 PolarHBondContact O-N 2.89Å; Q3402-A3405 VanDerWaalsContact O-N 3.17Å
3403	E	89.9	Confident	95.7	Very high	170 Å²	170	43.3 Å²	43.3	79%	0.794	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	139.2	179.3	-172.7	53.1	-95.4	0	0	111.9	A3405	E3403-A3405 PolarHBondContact O-N 3.12Å
3404	G	92.4	Very high	95.6	Very high	28 Å²	28	42.3 Å²	42.3	29%	0.289	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-20.3	-177.2	0	0	0	0	0	116.2	N3350	N3350-G3404 PolarHBondContact ND2-O 3.04Å
3405	A	95	Very high	95.4	Very high	6 Å²	6	38.7 Å²	38.7	5%	0.05	21%	0.206	C	C	.	.	S	Bend	trans	-87.5	-7.4	-169.4	0	0	0	0	0	115.2	L3353 Q3402 E3403 T3497	L3353-A3405 VanDerWaalsContact CD1-C 3.44Å; L3353-A3405 WeakPolarHBondContact CD1-O 3.39Å; Q3402-A3405 HydrophobicContact CB-CB 3.95Å; Q3402-A3405 HydrophobicContact CG-CB 3.66Å; Q3402-A3405 PolarHBondContact O-N 2.89Å; Q3402-A3405 VanDerWaalsContact O-N 3.17Å; E3403-A3405 PolarHBondContact O-N 3.12Å; A3405-T3497 PolarHBondContact O-N 3.42Å
3406	S	96.5	Very high	95.2	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	169.7	-178.9	65.6	0	0	0	0	114.2	N3350 K3399 L3400 I3495	N3350-S3406 PolarHBondContact N-O 2.72Å; K3399-S3406 VanDerWaalsContact O-CB 3.27Å; K3399-S3406 WeakPolarHBondContact O-CB 3.16Å; K3399-S3406 PolarHBondContact O-OG 2.7Å; L3400-S3406 WeakPolarHBondContact CA-OG 3.48Å; S3406-I3495 CarbonylContact C-O 3.58Å; S3406-I3495 WeakPolarHBondContact CA-O 3.3Å; S3406-I3495 VanDerWaalsContact CB-O 3.28Å; S3406-I3495 WeakPolarHBondContact CB-O 3.35Å
3407	C	96.5	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.5	163.5	65.9	0	0	0	0	111.6	F3346 Q3348 V3494 I3495	F3346-C3407 HydrophobicContact CE2-CB 4.24Å; Q3348-C3407 CarbonylContact O-C 3.42Å; Q3348-C3407 VanDerWaalsContact O-CA 3.25Å; Q3348-C3407 WeakPolarHBondContact O-CA 3.2Å; Q3348-C3407 WeakPolarHBondContact O-CB 3.39Å; C3407-V3494 WeakPolarHBondContact O-CA 3.35Å; C3407-I3495 PolarHBondContact N-O 3.31Å; C3407-I3495 PolarHBondContact O-N 3.24Å
3408	A	97.3	Very high	94.9	Very high	6 Å²	6	47.4 Å²	47.4	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.4	176.3	0	0	0	0	0	111.2	V3347 Q3348 L3400 L3492 V3493	V3347-A3408 WeakPolarHBondContact CB-O 3.28Å; V3347-A3408 PolarHBondContact N-O 3.46Å; Q3348-A3408 PolarHBondContact N-O 2.93Å; Q3348-A3408 VanDerWaalsContact N-O 3.14Å; Q3348-A3408 PolarHBondContact O-N 3.42Å; L3400-A3408 HydrophobicContact CD2-CB 4.45Å; A3408-L3492 HydrophobicContact CB-CD1 4.43Å; A3408-V3493 CarbonylContact C-O 3.12Å; A3408-V3493 WeakPolarHBondContact CA-O 3.41Å
3409	C	97.1	Very high	94.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.7	-179.1	-66	0	0	0	0	110.7	L3344 H3345 V3493	L3344-C3409 HydrophobicContact CD1-CB 3.51Å; L3344-C3409 HydrophobicContact CD2-CB 4.13Å; L3344-C3409 HydrophobicContact CG-CB 3.68Å; H3345-C3409 CarbonylContact O-C 3.57Å; H3345-C3409 WeakPolarHBondContact O-CA 3.5Å; H3345-C3409 WeakPolarHBondContact O-CB 3.22Å; C3409-V3493 HydrophobicContact CB-CB 4.45Å; C3409-V3493 PolarHBondContact N-O 2.86Å; C3409-V3493 PolarHBondContact O-N 2.93Å
3410	L	97	Very high	94.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.5	175.3	-170.6	72.5	0	0	0	110.2	H3345 V3347 L3412 L3472 L3479 V3483 H3490	H3345-L3410 PolarHBondContact N-O 3.02Å; H3345-L3410 PolarHBondContact O-N 3.11Å; V3347-L3410 HydrophobicContact CG2-CB 4Å; L3410-L3412 HydrophobicContact CD2-CD1 4.39Å; L3410-L3412 HydrophobicContact CD2-CD2 4.04Å; L3410-L3412 HydrophobicContact CD2-CG 4.19Å; L3410-L3412 HydrophobicContact CG-CD2 4.32Å; L3410-L3412 HydrophobicContact CG-CG 4.36Å; L3410-L3472 HydrophobicContact CD1-CD1 4.03Å; L3410-L3472 HydrophobicContact CD1-CD2 4.24Å; L3410-L3479 HydrophobicContact CB-CD2 4.48Å; L3410-L3479 HydrophobicContact CD2-CD1 3.89Å; L3410-L3479 HydrophobicContact CD2-CD2 3.98Å; L3410-L3479 HydrophobicContact CD2-CG 4.07Å; L3410-V3483 HydrophobicContact CD2-CG2 3.9Å; L3410-H3490 HydrophobicContact CD1-CB 3.84Å; L3410-H3490 HydrophobicContact CG-CB 4.4Å
3411	A	97	Very high	95	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.5	171.8	0	0	0	0	0	110.3	V3342 A3343 L3344 H3490 L3491 V3493	V3342-A3411 HydrophobicContact CG2-CB 4.48Å; A3343-A3411 WeakPolarHBondContact O-CA 3.36Å; L3344-A3411 HydrophobicContact CD1-CB 3.86Å; A3411-H3490 CarbonylContact O-C 3.48Å; A3411-H3490 VanDerWaalsContact O-CA 3.31Å; A3411-H3490 WeakPolarHBondContact O-CA 3.38Å; A3411-L3491 HydrophobicContact CB-CB 4.27Å; A3411-L3491 PolarHBondContact N-O 2.89Å; A3411-L3491 PolarHBondContact O-N 3.24Å; A3411-V3493 HydrophobicContact CB-CG2 3.99Å
3412	L	96.1	Very high	95.1	Very high	6 Å²	6	44 Å²	44	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.1	176.2	-66.8	177.2	0	0	0	110.1	W3318 L3321 V3342 A3343 L3410 Q3488 H3490	W3318-L3412 HydrophobicContact CB-CD1 4.41Å; W3318-L3412 HydrophobicContact CD2-CD1 4.31Å; W3318-L3412 HydrophobicContact CE3-CD1 4Å; W3318-L3412 HydrophobicContact CG-CD1 4.49Å; L3321-L3412 HydrophobicContact CD1-CD1 3.5Å; L3321-L3412 VanDerWaalsContact CD1-CD1 3.5Å; V3342-L3412 CarbonylContact C-O 3.29Å; V3342-L3412 WeakPolarHBondContact CA-O 3.42Å; V3342-L3412 VanDerWaalsContact CB-O 3.26Å; V3342-L3412 WeakPolarHBondContact CB-O 3.3Å; A3343-L3412 PolarHBondContact N-O 2.82Å; A3343-L3412 PolarHBondContact O-N 3.23Å; L3410-L3412 HydrophobicContact CD2-CD1 4.39Å; L3410-L3412 HydrophobicContact CD2-CD2 4.04Å; L3410-L3412 HydrophobicContact CD2-CG 4.19Å; L3410-L3412 HydrophobicContact CG-CD2 4.32Å; L3410-L3412 HydrophobicContact CG-CG 4.36Å; L3412-Q3488 HydrophobicContact CD2-CG 3.7Å; L3412-H3490 HydrophobicContact CD2-CB 3.84Å
3413	P	96.5	Very high	95.2	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.078	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	143.3	173.6	28.2	-33.3	0	0	0	110.1	L3421 T3425 L3428 S3489	P3413-L3421 HydrophobicContact CB-CD1 4.47Å; P3413-L3421 VanDerWaalsContact O-CD1 3.28Å; P3413-L3421 WeakPolarHBondContact O-CD1 3.33Å; P3413-T3425 WeakPolarHBondContact CB-OG1 3.29Å; P3413-T3425 HydrophobicContact CG-CG2 4.22Å; P3413-T3425 WeakPolarHBondContact CG-OG1 3.38Å; P3413-L3428 HydrophobicContact CB-CD2 3.91Å; P3413-L3428 HydrophobicContact CG-CD2 4.03Å; P3413-S3489 WeakPolarHBondContact CD-O 3.38Å
3414	A	94.4	Very high	95.6	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	24%	0.241	C	C	.	.			trans	-138.8	137.3	-177	0	0	0	0	0	111.3	R3341 A3343	R3341-A3414 WeakPolarHBondContact CB-O 3.49Å; R3341-A3414 VanDerWaalsContact CD-O 3.25Å; R3341-A3414 WeakPolarHBondContact CD-O 3.41Å; R3341-A3414 HydrophobicContact CG-CB 4.41Å; R3341-A3414 WeakPolarHBondContact CG-O 3.28Å; R3341-A3414 PolarHBondContact O-N 2.85Å; A3343-A3414 HydrophobicContact CB-CB 3.81Å
3415	G	92.8	Very high	95.8	Very high	25 Å²	25	37.6 Å²	37.6	26%	0.258	24%	0.237	S	C	.	.			trans	-149.3	154.9	176.2	0	0	0	0	0	111.7	S3417 E3420	G3415-S3417 VanDerWaalsContact C-N 3.27Å; G3415-S3417 PolarHBondContact O-N 3.08Å; G3415-E3420 WeakPolarHBondContact CA-OE1 3.47Å
3416	S	91.9	Very high	96	Very high	99 Å²	99	42.4 Å²	42.4	69%	0.692	26%	0.258	S	S	*	.	S	Bend	trans	-77.4	-13.6	-177	-16.6	0	0	0	0	113	R3341 E3420	R3341-S3416 PolarHBondContact NH1-OG 2.86Å; S3416-E3420 WeakPolarHBondContact CA-OE2 3.45Å; S3416-E3420 VanDerWaalsContact CB-OE2 3.24Å; S3416-E3420 WeakPolarHBondContact CB-OE2 3.43Å; S3416-E3420 VanDerWaalsContact N-CD 3.33Å; S3416-E3420 PolarHBondContact N-OE2 2.92Å; S3416-E3420 PolarHBondContact OG-OE2 3.47Å
3417	S	94.4	Very high	96	Very high	52 Å²	52	43.3 Å²	43.3	36%	0.364	26%	0.262	S	S	.	.	S	Bend	trans	-139.7	161.4	175.5	68	0	0	0	0	110.2	G3415 V3419 E3420 L3421	G3415-S3417 VanDerWaalsContact C-N 3.27Å; G3415-S3417 PolarHBondContact O-N 3.08Å; S3417-V3419 PolarHBondContact O-N 3.28Å; S3417-E3420 PolarHBondContact O-N 2.9Å; S3417-E3420 WeakPolarHBondContact OG-CB 3.14Å; S3417-E3420 PolarHBondContact OG-N 3.01Å; S3417-E3420 VanDerWaalsContact OG-N 3.14Å; S3417-L3421 WeakPolarHBondContact O-CB 3.21Å; S3417-L3421 PolarHBondContact O-N 3.21Å
3418	P	93.8	Very high	96.1	Very high	113 Å²	113	43.3 Å²	43.3	73%	0.734	26%	0.262	S	S	*	.	H	α-helix	trans	-58.8	-33.7	175.9	-25.7	35.5	0	0	0	113.6	A3422	P3418-A3422 WeakPolarHBondContact O-CB 3.1Å; P3418-A3422 PolarHBondContact O-N 3.11Å
3419	V	96.2	Very high	96.1	Very high	115 Å²	115	45.8 Å²	45.8	70%	0.697	28%	0.275	S	S	*	.	H	α-helix	trans	-69.4	-44.8	177.3	-178.4	0	0	0	0	110.8	S3417 A3422 Q3423	S3417-V3419 PolarHBondContact O-N 3.28Å; V3419-A3422 PolarHBondContact O-N 2.89Å; V3419-Q3423 PolarHBondContact O-N 2.87Å
3420	E	95.8	Very high	96.1	Very high	35 Å²	35	49 Å²	49	16%	0.164	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-43.6	174.2	-166.2	-161.9	143.9	0	0	110.8	R3341 G3415 S3416 S3417 A3422 Q3423 Q3424	R3341-E3420 WeakPolarHBondContact CD-OE1 3.5Å; R3341-E3420 IonicContact CZ-OE1 3.22Å; R3341-E3420 IonicContact NE-OE1 3.66Å; R3341-E3420 IonicContact NH1-OE1 3.79Å; R3341-E3420 PolarHBondContact NH1-OE1 2.9Å; R3341-E3420 IonicContact NH1-OE2 2.94Å; R3341-E3420 PolarHBondContact NH1-OE2 2.96Å; G3415-E3420 WeakPolarHBondContact CA-OE1 3.47Å; S3416-E3420 WeakPolarHBondContact CA-OE2 3.45Å; S3416-E3420 VanDerWaalsContact CB-OE2 3.24Å; S3416-E3420 WeakPolarHBondContact CB-OE2 3.43Å; S3416-E3420 VanDerWaalsContact N-CD 3.33Å; S3416-E3420 PolarHBondContact N-OE2 2.92Å; S3416-E3420 PolarHBondContact OG-OE2 3.47Å; S3417-E3420 PolarHBondContact O-N 2.9Å; S3417-E3420 WeakPolarHBondContact OG-CB 3.14Å; S3417-E3420 PolarHBondContact OG-N 3.01Å; S3417-E3420 VanDerWaalsContact OG-N 3.14Å; E3420-A3422 VanDerWaalsContact C-N 3.32Å; E3420-A3422 PolarHBondContact O-N 3.47Å; E3420-Q3423 WeakPolarHBondContact O-CB 3.48Å; E3420-Q3423 PolarHBondContact O-N 2.85Å; E3420-Q3424 HydrophobicContact CG-CG 4.2Å; E3420-Q3424 WeakPolarHBondContact O-CB 3.25Å; E3420-Q3424 VanDerWaalsContact O-CG 3.24Å; E3420-Q3424 WeakPolarHBondContact O-CG 3.4Å; E3420-Q3424 PolarHBondContact O-N 3.45Å
3421	L	96	Very high	96.1	Very high	72 Å²	72	51.5 Å²	51.5	38%	0.377	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-41.8	177.8	179.3	62	0	0	0	111.8	P3413 S3417 Q3424 T3425	P3413-L3421 HydrophobicContact CB-CD1 4.47Å; P3413-L3421 VanDerWaalsContact O-CD1 3.28Å; P3413-L3421 WeakPolarHBondContact O-CD1 3.33Å; S3417-L3421 WeakPolarHBondContact O-CB 3.21Å; S3417-L3421 PolarHBondContact O-N 3.21Å; L3421-Q3424 PolarHBondContact O-N 3.29Å; L3421-T3425 VanDerWaalsContact O-CB 3.28Å; L3421-T3425 WeakPolarHBondContact O-CB 3.48Å; L3421-T3425 PolarHBondContact O-N 3.47Å; L3421-T3425 PolarHBondContact O-OG1 2.67Å
3422	A	96.5	Very high	96.2	Very high	60 Å²	60	51.4 Å²	51.4	50%	0.496	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-45.9	174	0	0	0	0	0	111.8	P3418 V3419 E3420 T3425 Q3426	P3418-A3422 WeakPolarHBondContact O-CB 3.1Å; P3418-A3422 PolarHBondContact O-N 3.11Å; V3419-A3422 PolarHBondContact O-N 2.89Å; E3420-A3422 VanDerWaalsContact C-N 3.32Å; E3420-A3422 PolarHBondContact O-N 3.47Å; A3422-T3425 WeakPolarHBondContact O-CB 3.45Å; A3422-T3425 PolarHBondContact O-N 3.2Å; A3422-Q3426 PolarHBondContact O-N 3.02Å
3423	Q	97.2	Very high	96.3	Very high	111 Å²	111	51.7 Å²	51.7	52%	0.519	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-45.7	176.3	-172.5	-173	24.2	0	0	112.1	V3419 E3420 T3425 Q3426 I3427	V3419-Q3423 PolarHBondContact O-N 2.87Å; E3420-Q3423 WeakPolarHBondContact O-CB 3.48Å; E3420-Q3423 PolarHBondContact O-N 2.85Å; Q3423-T3425 VanDerWaalsContact C-N 3.34Å; Q3423-T3425 PolarHBondContact O-N 3.3Å; Q3423-Q3426 WeakPolarHBondContact O-CB 3.44Å; Q3423-Q3426 PolarHBondContact O-N 3.49Å; Q3423-I3427 HydrophobicContact CG-CD1 4.1Å; Q3423-I3427 WeakPolarHBondContact O-CG1 3.25Å; Q3423-I3427 PolarHBondContact O-N 2.96Å
3424	Q	97.2	Very high	96.3	Very high	26 Å²	26	56.6 Å²	56.6	12%	0.121	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-36.5	179.2	-64.7	-61.4	-20.2	0	0	111.6	T3340 R3341 E3420 L3421 I3427 L3428	T3340-Q3424 VanDerWaalsContact CA-OE1 3.27Å; T3340-Q3424 PolarHBondContact OG1-O 2.81Å; T3340-Q3424 PolarHBondContact OG1-OE1 2.98Å; R3341-Q3424 HydrophobicContact CB-CG 4.09Å; E3420-Q3424 HydrophobicContact CG-CG 4.2Å; E3420-Q3424 WeakPolarHBondContact O-CB 3.25Å; E3420-Q3424 VanDerWaalsContact O-CG 3.24Å; E3420-Q3424 WeakPolarHBondContact O-CG 3.4Å; E3420-Q3424 PolarHBondContact O-N 3.45Å; L3421-Q3424 PolarHBondContact O-N 3.29Å; Q3424-I3427 PolarHBondContact O-N 2.99Å; Q3424-L3428 VanDerWaalsContact O-CB 3.29Å; Q3424-L3428 WeakPolarHBondContact O-CB 3.47Å; Q3424-L3428 PolarHBondContact O-N 2.84Å
3425	T	97.5	Very high	96.5	Very high	33 Å²	33	58.5 Å²	58.5	20%	0.202	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-43.5	171.2	-57.9	0	0	0	0	111.3	P3413 L3421 A3422 Q3423 L3428 N3429	P3413-T3425 WeakPolarHBondContact CB-OG1 3.29Å; P3413-T3425 HydrophobicContact CG-CG2 4.22Å; P3413-T3425 WeakPolarHBondContact CG-OG1 3.38Å; L3421-T3425 VanDerWaalsContact O-CB 3.28Å; L3421-T3425 WeakPolarHBondContact O-CB 3.48Å; L3421-T3425 PolarHBondContact O-N 3.47Å; L3421-T3425 PolarHBondContact O-OG1 2.67Å; A3422-T3425 WeakPolarHBondContact O-CB 3.45Å; A3422-T3425 PolarHBondContact O-N 3.2Å; Q3423-T3425 VanDerWaalsContact C-N 3.34Å; Q3423-T3425 PolarHBondContact O-N 3.3Å; T3425-L3428 PolarHBondContact O-N 3.08Å; T3425-N3429 PolarHBondContact O-N 2.71Å; T3425-N3429 PolarHBondContact O-ND2 2.95Å
3426	Q	97.6	Very high	96.7	Very high	108 Å²	108	57.6 Å²	57.6	51%	0.505	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-51.2	175.6	-172.4	-180	1.1	0	0	111.4	A3422 Q3423 L3428 N3429 E3430	A3422-Q3426 PolarHBondContact O-N 3.02Å; Q3423-Q3426 WeakPolarHBondContact O-CB 3.44Å; Q3423-Q3426 PolarHBondContact O-N 3.49Å; Q3426-L3428 VanDerWaalsContact C-N 3.32Å; Q3426-L3428 PolarHBondContact O-N 2.74Å; Q3426-N3429 PolarHBondContact O-N 3.33Å; Q3426-E3430 HydrophobicContact CG-CG 4.1Å; Q3426-E3430 VanDerWaalsContact CG-OE1 3.23Å; Q3426-E3430 WeakPolarHBondContact CG-OE1 3.24Å; Q3426-E3430 PolarHBondContact NE2-OE1 3.19Å; Q3426-E3430 WeakPolarHBondContact O-CB 2.93Å; Q3426-E3430 WeakPolarHBondContact O-CG 3.29Å; Q3426-E3430 PolarHBondContact O-N 2.84Å
3427	I	97.6	Very high	97	Very high	26 Å²	26	56.8 Å²	56.8	13%	0.133	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-41.8	179.6	-62.4	163.2	0	0	0	111.2	M3338 Q3423 Q3424 N3429 E3430 N3431 F3432	M3338-I3427 HydrophobicContact CE-CG2 4.18Å; Q3423-I3427 HydrophobicContact CG-CD1 4.1Å; Q3423-I3427 WeakPolarHBondContact O-CG1 3.25Å; Q3423-I3427 PolarHBondContact O-N 2.96Å; Q3424-I3427 PolarHBondContact O-N 2.99Å; I3427-N3429 PolarHBondContact O-N 3.14Å; I3427-E3430 PolarHBondContact O-N 3.1Å; I3427-N3431 HydrophobicContact CG2-CB 4.34Å; I3427-N3431 WeakPolarHBondContact O-CB 3.3Å; I3427-N3431 PolarHBondContact O-N 3.4Å; I3427-N3431 PolarHBondContact O-OD1 3.2Å; I3427-F3432 HydrophobicContact CG2-CD2 4.42Å; I3427-F3432 HydrophobicContact CG2-CE2 4.14Å
3428	L	98.1	Very high	97.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	I	π-helix	trans	-60.6	-44.6	176.9	-174.8	69.4	0	0	0	111.7	T3340 V3342 P3413 Q3424 T3425 Q3426 F3432 I3433 L3491	T3340-L3428 HydrophobicContact CG2-CD1 3.88Å; V3342-L3428 HydrophobicContact CG1-CD1 4.25Å; P3413-L3428 HydrophobicContact CB-CD2 3.91Å; P3413-L3428 HydrophobicContact CG-CD2 4.03Å; Q3424-L3428 VanDerWaalsContact O-CB 3.29Å; Q3424-L3428 WeakPolarHBondContact O-CB 3.47Å; Q3424-L3428 PolarHBondContact O-N 2.84Å; T3425-L3428 PolarHBondContact O-N 3.08Å; Q3426-L3428 VanDerWaalsContact C-N 3.32Å; Q3426-L3428 PolarHBondContact O-N 2.74Å; L3428-F3432 HydrophobicContact CD1-CB 4.18Å; L3428-F3432 HydrophobicContact CD1-CG 4.5Å; L3428-F3432 WeakPolarHBondContact O-CB 3.4Å; L3428-F3432 PolarHBondContact O-N 3.17Å; L3428-I3433 HydrophobicContact CD2-CD1 4.44Å; L3428-I3433 HydrophobicContact CG-CD1 4.05Å; L3428-I3433 HydrophobicContact CG-CG1 4.47Å; L3428-I3433 WeakPolarHBondContact O-CG1 3.18Å; L3428-I3433 PolarHBondContact O-N 3.38Å; L3428-L3491 HydrophobicContact CD1-CD1 3.8Å; L3428-L3491 HydrophobicContact CD1-CG 4.17Å
3429	N	97.8	Very high	97.3	Very high	58 Å²	58	58.4 Å²	58.4	31%	0.31	29%	0.292	S	S	.	.	I	π-helix	trans	-64.9	-53.5	175.4	-73.3	-46.6	0	0	0	111.9	T3425 Q3426 I3427 R3434 S3489	T3425-N3429 PolarHBondContact O-N 2.71Å; T3425-N3429 PolarHBondContact O-ND2 2.95Å; Q3426-N3429 PolarHBondContact O-N 3.33Å; I3427-N3429 PolarHBondContact O-N 3.14Å; N3429-R3434 VanDerWaalsContact O-CB 3.27Å; N3429-R3434 WeakPolarHBondContact O-CB 3.36Å; N3429-R3434 PolarHBondContact O-N 2.86Å; N3429-S3489 PolarHBondContact ND2-OG 3.17Å; N3429-S3489 WeakPolarHBondContact OD1-CB 3.41Å; N3429-S3489 PolarHBondContact OD1-OG 3.22Å
3430	E	97	Very high	97.4	Very high	68 Å²	68	58.9 Å²	58.9	32%	0.318	29%	0.287	S	S	.	.	I	π-helix	trans	-77.9	-34.3	-165.6	-69.1	-150.3	-136.6	0	0	114.5	Q3426 I3427 R3434	Q3426-E3430 HydrophobicContact CG-CG 4.1Å; Q3426-E3430 VanDerWaalsContact CG-OE1 3.23Å; Q3426-E3430 WeakPolarHBondContact CG-OE1 3.24Å; Q3426-E3430 PolarHBondContact NE2-OE1 3.19Å; Q3426-E3430 WeakPolarHBondContact O-CB 2.93Å; Q3426-E3430 WeakPolarHBondContact O-CG 3.29Å; Q3426-E3430 PolarHBondContact O-N 2.84Å; I3427-E3430 PolarHBondContact O-N 3.1Å; E3430-R3434 PolarHBondContact O-NH1 3.27Å; E3430-R3434 IonicContact OE2-CZ 3.7Å; E3430-R3434 IonicContact OE2-NH1 2.7Å; E3430-R3434 PolarHBondContact OE2-NH1 2.83Å; E3430-R3434 IonicContact OE2-NH2 3.59Å
3431	N	97.1	Very high	97.5	Very high	52 Å²	52	57.4 Å²	57.4	28%	0.278	28%	0.281	S	S	.	.	I	π-helix	trans	-111.2	-24.6	-170.4	-52.8	110.6	0	0	0	113.5	M3338 I3427 Y3435	M3338-N3431 HydrophobicContact CB-CB 3.93Å; M3338-N3431 HydrophobicContact CG-CB 3.82Å; I3427-N3431 HydrophobicContact CG2-CB 4.34Å; I3427-N3431 WeakPolarHBondContact O-CB 3.3Å; I3427-N3431 PolarHBondContact O-N 3.4Å; I3427-N3431 PolarHBondContact O-OD1 3.2Å; N3431-Y3435 WeakPolarHBondContact O-CB 3.24Å
3432	F	98.2	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-104.8	-66.6	179.6	-68.8	-107.2	0	0	0	111.2	L3333 L3335 M3338 T3340 I3382 I3427 L3428 Y3435 M3436	L3333-F3432 HydrophobicContact CB-CE1 3.9Å; L3333-F3432 HydrophobicContact CB-CZ 4.44Å; L3333-F3432 WeakPolarHBondContact O-CZ 3.29Å; L3335-F3432 HydrophobicContact CB-CD1 3.73Å; L3335-F3432 HydrophobicContact CB-CE1 3.36Å; L3335-F3432 HydrophobicContact CB-CG 4.47Å; L3335-F3432 HydrophobicContact CB-CZ 3.82Å; L3335-F3432 HydrophobicContact CD2-CD1 3.94Å; L3335-F3432 HydrophobicContact CD2-CE1 4.44Å; L3335-F3432 HydrophobicContact CD2-CG 4.38Å; M3338-F3432 HydrophobicContact CB-CE2 4.18Å; M3338-F3432 WeakPolarHBondContact O-CZ 3.49Å; T3340-F3432 HydrophobicContact CG2-CD1 4.18Å; T3340-F3432 HydrophobicContact CG2-CD2 3.68Å; T3340-F3432 HydrophobicContact CG2-CE1 3.93Å; T3340-F3432 HydrophobicContact CG2-CE2 3.43Å; T3340-F3432 VanDerWaalsContact CG2-CE2 3.43Å; T3340-F3432 HydrophobicContact CG2-CG 4.07Å; T3340-F3432 HydrophobicContact CG2-CZ 3.56Å; I3382-F3432 HydrophobicContact CD1-CD1 4.31Å; I3382-F3432 HydrophobicContact CD1-CE1 4.36Å; I3427-F3432 HydrophobicContact CG2-CD2 4.42Å; I3427-F3432 HydrophobicContact CG2-CE2 4.14Å; L3428-F3432 HydrophobicContact CD1-CB 4.18Å; L3428-F3432 HydrophobicContact CD1-CG 4.5Å; L3428-F3432 WeakPolarHBondContact O-CB 3.4Å; L3428-F3432 PolarHBondContact O-N 3.17Å; F3432-Y3435 PolarHBondContact O-N 2.71Å; F3432-M3436 HydrophobicContact CB-CE 4.06Å; F3432-M3436 WeakPolarHBondContact O-CB 3.32Å; F3432-M3436 WeakPolarHBondContact O-CE 3.2Å; F3432-M3436 WeakPolarHBondContact O-CG 3.43Å; F3432-M3436 PolarHBondContact O-N 2.87Å
3433	I	98	Very high	97.7	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.056	24%	0.241	C	C	.	.	I	π-helix	trans	-59.6	-57.2	-175.7	-69.6	168.5	0	0	0	111	L3428 Y3435 M3436 Q3437 P3464 L3491	L3428-I3433 HydrophobicContact CD2-CD1 4.44Å; L3428-I3433 HydrophobicContact CG-CD1 4.05Å; L3428-I3433 HydrophobicContact CG-CG1 4.47Å; L3428-I3433 WeakPolarHBondContact O-CG1 3.18Å; L3428-I3433 PolarHBondContact O-N 3.38Å; I3433-Y3435 VanDerWaalsContact C-N 3.32Å; I3433-Y3435 PolarHBondContact O-N 3.24Å; I3433-M3436 PolarHBondContact O-N 3.37Å; I3433-M3436 VanDerWaalsContact O-N 3.16Å; I3433-Q3437 HydrophobicContact CG2-CG 4.46Å; I3433-Q3437 WeakPolarHBondContact O-CG 3.39Å; I3433-Q3437 PolarHBondContact O-N 2.66Å; I3433-P3464 HydrophobicContact CD1-CG 4.46Å; I3433-P3464 HydrophobicContact CG2-CG 4.34Å; I3433-L3491 HydrophobicContact CD1-CD2 4.47Å; I3433-L3491 HydrophobicContact CG1-CD2 3.65Å
3434	R	97.5	Very high	97.6	Very high	115 Å²	115	46.5 Å²	46.5	43%	0.434	22%	0.219	S	C	.	.	H	α-helix	trans	-53.1	-48.3	179.6	-177.7	-169.9	-69.6	146.8	-6.6	111.6	N3429 E3430 Q3437 E3438	N3429-R3434 VanDerWaalsContact O-CB 3.27Å; N3429-R3434 WeakPolarHBondContact O-CB 3.36Å; N3429-R3434 PolarHBondContact O-N 2.86Å; E3430-R3434 PolarHBondContact O-NH1 3.27Å; E3430-R3434 IonicContact OE2-CZ 3.7Å; E3430-R3434 IonicContact OE2-NH1 2.7Å; E3430-R3434 PolarHBondContact OE2-NH1 2.83Å; E3430-R3434 IonicContact OE2-NH2 3.59Å; R3434-Q3437 PolarHBondContact O-N 2.61Å; R3434-E3438 HydrophobicContact CG-CG 4.45Å; R3434-E3438 WeakPolarHBondContact O-CB 3.42Å; R3434-E3438 VanDerWaalsContact O-CG 3.3Å; R3434-E3438 WeakPolarHBondContact O-CG 3.27Å; R3434-E3438 PolarHBondContact O-N 2.97Å
3435	Y	97.6	Very high	97.4	Very high	49 Å²	49	45.5 Å²	45.5	19%	0.192	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-37.2	-179.1	170.3	-105.6	0	0	0	113.4	L3335 N3431 F3432 I3433 K3439	L3335-Y3435 HydrophobicContact CD1-CE1 4.2Å; L3335-Y3435 HydrophobicContact CD2-CD1 3.67Å; L3335-Y3435 HydrophobicContact CD2-CE1 4.09Å; L3335-Y3435 HydrophobicContact CG-CD1 4.23Å; L3335-Y3435 HydrophobicContact CG-CE1 4.32Å; N3431-Y3435 WeakPolarHBondContact O-CB 3.24Å; F3432-Y3435 PolarHBondContact O-N 2.71Å; I3433-Y3435 VanDerWaalsContact C-N 3.32Å; I3433-Y3435 PolarHBondContact O-N 3.24Å; Y3435-K3439 HydrophobicContact CD2-CG 3.9Å; Y3435-K3439 HydrophobicContact CE2-CD 4.27Å; Y3435-K3439 HydrophobicContact CE2-CG 3.49Å; Y3435-K3439 VanDerWaalsContact CE2-CG 3.49Å; Y3435-K3439 WeakPolarHBondContact O-CB 3.49Å; Y3435-K3439 VanDerWaalsContact O-CG 3.3Å; Y3435-K3439 WeakPolarHBondContact O-CG 3.36Å; Y3435-K3439 PolarHBondContact O-N 3.46Å
3436	M	98.2	Very high	97	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-69.5	-37.7	176.5	-77.5	-172.7	-69.9	0	0	111.8	L3335 F3432 I3433 K3439 M3440 A3441 P3463 L3491	L3335-M3436 HydrophobicContact CD2-CG 4.39Å; F3432-M3436 HydrophobicContact CB-CE 4.06Å; F3432-M3436 WeakPolarHBondContact O-CB 3.32Å; F3432-M3436 WeakPolarHBondContact O-CE 3.2Å; F3432-M3436 WeakPolarHBondContact O-CG 3.43Å; F3432-M3436 PolarHBondContact O-N 2.87Å; I3433-M3436 PolarHBondContact O-N 3.37Å; I3433-M3436 VanDerWaalsContact O-N 3.16Å; M3436-K3439 PolarHBondContact O-N 2.99Å; M3436-M3440 PolarHBondContact O-N 2.95Å; M3436-M3440 VanDerWaalsContact O-N 3.11Å; M3436-A3441 WeakPolarHBondContact CB-O 3.48Å; M3436-A3441 PolarHBondContact O-N 3.41Å; M3436-P3463 HydrophobicContact CB-CB 3.96Å; M3436-P3463 HydrophobicContact CB-CG 3.81Å; M3436-L3491 HydrophobicContact CE-CD1 4.05Å; M3436-L3491 HydrophobicContact CE-CD2 3.46Å; M3436-L3491 VanDerWaalsContact CE-CD2 3.46Å; M3436-L3491 HydrophobicContact CE-CG 4.43Å
3437	Q	97.7	Very high	96.6	Very high	82 Å²	82	41.1 Å²	41.1	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-66.6	-49.8	172.1	-69.8	172.6	-29.3	0	0	111.8	I3433 R3434 K3439 M3440 P3463 P3464	I3433-Q3437 HydrophobicContact CG2-CG 4.46Å; I3433-Q3437 WeakPolarHBondContact O-CG 3.39Å; I3433-Q3437 PolarHBondContact O-N 2.66Å; R3434-Q3437 PolarHBondContact O-N 2.61Å; Q3437-K3439 PolarHBondContact O-N 3.47Å; Q3437-M3440 PolarHBondContact O-N 2.93Å; Q3437-P3463 HydrophobicContact CG-CB 3.82Å; Q3437-P3463 HydrophobicContact CG-CG 4.06Å; Q3437-P3464 PolarHBondContact NE2-O 3.21Å
3438	E	97.1	Very high	95.9	Very high	113 Å²	113	39.9 Å²	39.9	53%	0.528	19%	0.187	S	C	.	.	H	α-helix	trans	-55.1	-25.2	175.2	-81.9	178.5	-154.8	0	0	114.5	R3434	R3434-E3438 HydrophobicContact CG-CG 4.45Å; R3434-E3438 WeakPolarHBondContact O-CB 3.42Å; R3434-E3438 VanDerWaalsContact O-CG 3.3Å; R3434-E3438 WeakPolarHBondContact O-CG 3.27Å; R3434-E3438 PolarHBondContact O-N 2.97Å
3439	K	97.3	Very high	94.7	Very high	87 Å²	87	43.8 Å²	43.8	38%	0.378	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	7.2	-179.6	-58	-59.4	168.1	-83.9	0	112.5	Y3435 M3436 Q3437 A3441	Y3435-K3439 HydrophobicContact CD2-CG 3.9Å; Y3435-K3439 HydrophobicContact CE2-CD 4.27Å; Y3435-K3439 HydrophobicContact CE2-CG 3.49Å; Y3435-K3439 VanDerWaalsContact CE2-CG 3.49Å; Y3435-K3439 WeakPolarHBondContact O-CB 3.49Å; Y3435-K3439 VanDerWaalsContact O-CG 3.3Å; Y3435-K3439 WeakPolarHBondContact O-CG 3.36Å; Y3435-K3439 PolarHBondContact O-N 3.46Å; M3436-K3439 PolarHBondContact O-N 2.99Å; Q3437-K3439 PolarHBondContact O-N 3.47Å; K3439-A3441 HydrophobicContact CB-CB 4.45Å; K3439-A3441 WeakPolarHBondContact O-CB 3.25Å; K3439-A3441 PolarHBondContact O-N 3.11Å
3440	M	97.4	Very high	93.1	Very high	124 Å²	124	45.2 Å²	45.2	61%	0.611	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.6	52.8	-177.8	-65.8	-63.8	-72.6	0	0	110.9	R3387 L3388 M3436 Q3437	R3387-M3440 CarbonylContact C-O 3.58Å; R3387-M3440 WeakPolarHBondContact CA-O 3.46Å; L3388-M3440 PolarHBondContact N-O 2.84Å; M3436-M3440 PolarHBondContact O-N 2.95Å; M3436-M3440 VanDerWaalsContact O-N 3.11Å; Q3437-M3440 PolarHBondContact O-N 2.93Å
3441	A	98.3	Very high	91.8	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.033	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.1	-169.2	0	0	0	0	0	113.4	R3385 M3386 M3436 K3439	R3385-A3441 HydrophobicContact CB-CB 4.16Å; M3386-A3441 CarbonylContact O-C 3.59Å; M3386-A3441 WeakPolarHBondContact O-CA 3.41Å; M3386-A3441 VanDerWaalsContact O-CB 3.25Å; M3386-A3441 WeakPolarHBondContact O-CB 3.2Å; M3436-A3441 WeakPolarHBondContact CB-O 3.48Å; M3436-A3441 PolarHBondContact O-N 3.41Å; K3439-A3441 HydrophobicContact CB-CB 4.45Å; K3439-A3441 WeakPolarHBondContact O-CB 3.25Å; K3439-A3441 PolarHBondContact O-N 3.11Å
3442	A	98.4	Very high	90.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	145.5	163.6	0	0	0	0	0	110.3	R3385 M3386 L3388 I3461 F3462	R3385-A3442 CarbonylContact C-O 3.59Å; R3385-A3442 WeakPolarHBondContact CA-O 3.23Å; M3386-A3442 HydrophobicContact CE-CB 4.4Å; M3386-A3442 PolarHBondContact N-O 3.46Å; M3386-A3442 PolarHBondContact O-N 3.01Å; L3388-A3442 HydrophobicContact CD2-CB 4.23Å; A3442-I3461 CarbonylContact C-O 3.55Å; A3442-I3461 VanDerWaalsContact CA-O 3.24Å; A3442-I3461 WeakPolarHBondContact CA-O 3.26Å; A3442-I3461 WeakPolarHBondContact CB-O 3.24Å; A3442-F3462 HydrophobicContact CB-CD1 3.72Å; A3442-F3462 HydrophobicContact CB-CE1 3.82Å; A3442-F3462 HydrophobicContact CB-CG 4.13Å; A3442-F3462 HydrophobicContact CB-CZ 4.32Å
3443	G	98.1	Very high	88.3	Confident	3 Å²	3	60.2 Å²	60.2	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.3	167.8	0	0	0	0	0	111.5	I3461	G3443-I3461 PolarHBondContact N-O 2.91Å; G3443-I3461 PolarHBondContact O-N 3.42Å
3444	I	95.8	Very high	86.7	Confident	11 Å²	11	67 Å²	67	6%	0.056	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.9	-179.6	-63.2	-69.9	0	0	0	111	V3383 Q3384 M3386 V3458 V3459 H3460	V3383-I3444 PolarHBondContact N-O 3.45Å; Q3384-I3444 HydrophobicContact CB-CB 3.75Å; Q3384-I3444 HydrophobicContact CB-CG2 3.9Å; Q3384-I3444 PolarHBondContact N-O 3.11Å; Q3384-I3444 PolarHBondContact O-N 3.4Å; M3386-I3444 HydrophobicContact CB-CD1 3.76Å; M3386-I3444 HydrophobicContact CB-CG1 3.75Å; I3444-V3458 HydrophobicContact CD1-CG1 4.12Å; I3444-V3458 HydrophobicContact CG2-CG1 3.99Å; I3444-V3459 WeakPolarHBondContact CA-O 3.43Å; I3444-H3460 HydrophobicContact CD1-CB 4.23Å; I3444-H3460 VanDerWaalsContact CD1-ND1 3.28Å; I3444-H3460 WeakPolarHBondContact CD1-ND1 3.42Å
3445	I	92.8	Very high	85.2	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.6	168.5	-45.6	-177.3	0	0	0	108.5	L3380 I3382 V3447 V3459 I3461	L3380-I3445 HydrophobicContact CB-CD1 3.95Å; I3382-I3445 HydrophobicContact CG1-CD1 4.2Å; I3382-I3445 HydrophobicContact CG1-CG1 4.35Å; I3445-V3447 HydrophobicContact CG2-CG2 4.47Å; I3445-V3459 HydrophobicContact CB-CB 4.22Å; I3445-V3459 PolarHBondContact N-O 3.03Å; I3445-V3459 PolarHBondContact O-N 2.92Å; I3445-I3461 HydrophobicContact CD1-CD1 3.96Å; I3445-I3461 HydrophobicContact CG1-CD1 4.22Å
3446	N	90.4	Very high	84.6	Confident	49 Å²	49	62.9 Å²	62.9	26%	0.262	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.7	175.7	-56.3	-43	0	0	0	109.4	Q3384	Q3384-N3446 PolarHBondContact OE1-ND2 2.69Å
3447	V	87.6	Confident	84.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.2	-175.6	-171.8	0	0	0	0	108.6	L3360 L3361 G3365 I3445 G3455 L3456 Y3457 V3459	L3360-V3447 HydrophobicContact CB-CG1 4.19Å; L3360-V3447 HydrophobicContact CD2-CG1 4.02Å; L3360-V3447 HydrophobicContact CG-CG1 3.99Å; L3361-V3447 HydrophobicContact CD1-CG2 4.3Å; L3361-V3447 HydrophobicContact CD2-CB 4.43Å; L3361-V3447 HydrophobicContact CD2-CG1 3.9Å; L3361-V3447 HydrophobicContact CD2-CG2 3.69Å; L3361-V3447 HydrophobicContact CG-CG1 3.81Å; L3361-V3447 HydrophobicContact CG-CG2 4Å; G3365-V3447 WeakPolarHBondContact O-CG1 3.35Å; I3445-V3447 HydrophobicContact CG2-CG2 4.47Å; V3447-G3455 CarbonylContact O-C 3.57Å; V3447-G3455 WeakPolarHBondContact O-CA 3.5Å; V3447-L3456 PolarHBondContact O-N 2.82Å; V3447-Y3457 HydrophobicContact CB-CD2 4.45Å; V3447-Y3457 HydrophobicContact CG1-CD2 4.45Å; V3447-Y3457 PolarHBondContact N-O 3.27Å; V3447-Y3457 PolarHBondContact O-N 3.48Å; V3447-V3459 HydrophobicContact CG2-CG2 3.92Å
3448	G	83.3	Confident	84.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.306	C	S	.	.			trans	-174.6	152	-170.7	0	0	0	0	0	110.8	G3365 G3366 G3367	G3365-G3448 CarbonylContact C-O 3.5Å; G3365-G3448 WeakPolarHBondContact CA-O 3.33Å; G3365-G3448 PolarHBondContact O-N 2.87Å; G3365-G3448 VanDerWaalsContact O-N 3.11Å; G3366-G3448 CarbonylContact C-O 3.52Å; G3366-G3448 VanDerWaalsContact C-O 3.29Å; G3367-G3448 PolarHBondContact N-O 3.41Å
3449	H	72.7	Confident	84.1	Confident	82 Å²	82	56.8 Å²	56.8	38%	0.38	28%	0.284	S	S	.	.			trans	-54.8	139.7	-177.9	-68.8	102.6	0	0	0	111.3	D3451 Y3452 L3456	H3449-D3451 PolarHBondContact O-N 2.96Å; H3449-D3451 VanDerWaalsContact O-N 3.12Å; H3449-Y3452 HydrophobicContact CB-CD2 3.83Å; H3449-Y3452 CarbonylContact O-C 3.48Å; H3449-Y3452 PolarHBondContact O-N 2.84Å; H3449-L3456 VanDerWaalsContact CE1-CD1 3.49Å; H3449-L3456 WeakPolarHBondContact CE1-CD1 3.25Å; H3449-L3456 WeakPolarHBondContact ND1-CD1 3.36Å
3450	P	65	Low	84.2	Confident	87 Å²	87	53.5 Å²	53.5	57%	0.565	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.1	-174.5	28.2	-34.7	0	0	0	112.1
3451	D	69.2	Low	84.2	Confident	137 Å²	137	47.7 Å²	47.7	73%	0.733	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.1	178.3	-44.2	-69.5	0	0	0	113.7	H3449	H3449-D3451 PolarHBondContact O-N 2.96Å; H3449-D3451 VanDerWaalsContact O-N 3.12Å
3452	Y	64	Low	84.2	Confident	114 Å²	114	47.5 Å²	47.5	45%	0.447	24%	0.239	S	C	.	.			trans	-131.1	113	-173.6	-64.5	-90	0	0	0	111.3	Q2875 H3449 Q3454	Q2875-Y3452 PolarHBondContact NE2-OH 2.8Å; Q2875-Y3452 VanDerWaalsContact NE2-OH 3.14Å; H3449-Y3452 HydrophobicContact CB-CD2 3.83Å; H3449-Y3452 CarbonylContact O-C 3.48Å; H3449-Y3452 PolarHBondContact O-N 2.84Å; Y3452-Q3454 PolarHBondContact O-N 2.98Å
3453	Q	58.9	Low	84.2	Confident	184 Å²	184	47.4 Å²	47.4	86%	0.86	24%	0.239	S	C	*	.	S	Bend	trans	-64.7	-8.9	-179.4	-68.8	-169.6	-12.1	0	0	115	G3455	Q3453-G3455 PolarHBondContact O-N 3.42Å
3454	Q	62.7	Low	84.1	Confident	154 Å²	154	48.4 Å²	48.4	72%	0.72	25%	0.245	S	C	*	.	S	Bend	trans	-74.7	105.1	169.4	-68.9	178.6	-6.5	0	0	109.1	Y3452 L3456	Y3452-Q3454 PolarHBondContact O-N 2.98Å; Q3454-L3456 PolarHBondContact O-N 3.06Å
3455	G	66.4	Low	84.2	Confident	16 Å²	16	49 Å²	49	17%	0.165	25%	0.25	C	C	.	.			trans	-54.2	128.7	161.4	0	0	0	0	0	109	V3447 Q3453 V3498	V3447-G3455 CarbonylContact O-C 3.57Å; V3447-G3455 WeakPolarHBondContact O-CA 3.5Å; Q3453-G3455 PolarHBondContact O-N 3.42Å; G3455-V3498 WeakPolarHBondContact O-CG1 3.36Å; G3455-V3498 WeakPolarHBondContact O-CG2 3.29Å
3456	L	86.3	Confident	84.4	Confident	61 Å²	61	55.6 Å²	55.6	32%	0.319	29%	0.285	S	S	.	.	S	Bend	trans	-84.3	-29.9	174.6	-63.1	-175.5	0	0	0	111.4	L3360 V3447 H3449 Q3454 T3497 V3498	L3360-L3456 HydrophobicContact CD2-CD1 4.17Å; V3447-L3456 PolarHBondContact O-N 2.82Å; H3449-L3456 VanDerWaalsContact CE1-CD1 3.49Å; H3449-L3456 WeakPolarHBondContact CE1-CD1 3.25Å; H3449-L3456 WeakPolarHBondContact ND1-CD1 3.36Å; Q3454-L3456 PolarHBondContact O-N 3.06Å; L3456-T3497 WeakPolarHBondContact O-CA 3.38Å; L3456-V3498 PolarHBondContact O-N 3.43Å; L3456-V3498 VanDerWaalsContact O-N 3.11Å
3457	Y	93.1	Very high	84.7	Confident	39 Å²	39	54.2 Å²	54.2	15%	0.153	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.1	-179.6	-44.3	-74.6	0	0	0	111.1	L3353 A3356 C3357 L3360 V3447 T3496 T3497	L3353-Y3457 HydrophobicContact CD2-CD1 4.23Å; L3353-Y3457 HydrophobicContact CG-CD1 4.13Å; L3353-Y3457 HydrophobicContact CG-CE1 3.98Å; A3356-Y3457 WeakPolarHBondContact CB-OH 3.47Å; C3357-Y3457 HydrophobicContact CB-CD2 3.76Å; C3357-Y3457 HydrophobicContact CB-CE2 4.14Å; C3357-Y3457 HydrophobicContact CB-CG 4.03Å; L3360-Y3457 HydrophobicContact CD2-CD2 4.38Å; L3360-Y3457 HydrophobicContact CD2-CE2 4.15Å; V3447-Y3457 HydrophobicContact CB-CD2 4.45Å; V3447-Y3457 HydrophobicContact CG1-CD2 4.45Å; V3447-Y3457 PolarHBondContact N-O 3.27Å; V3447-Y3457 PolarHBondContact O-N 3.48Å; Y3457-T3496 CarbonylContact C-O 3.54Å; Y3457-T3496 VanDerWaalsContact CA-O 3.23Å; Y3457-T3496 WeakPolarHBondContact CA-O 3.45Å; Y3457-T3497 HydrophobicContact CD1-CG2 4.41Å; Y3457-T3497 HydrophobicContact CE1-CG2 4.35Å
3458	V	93.7	Very high	85.2	Confident	24 Å²	24	54.2 Å²	54.2	15%	0.145	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.4	168.8	-174.6	0	0	0	0	108	I3444 I3495 T3496 V3498	I3444-V3458 HydrophobicContact CD1-CG1 4.12Å; I3444-V3458 HydrophobicContact CG2-CG1 3.99Å; V3458-I3495 WeakPolarHBondContact O-CA 3.43Å; V3458-T3496 PolarHBondContact N-O 3.45Å; V3458-T3496 PolarHBondContact O-N 3.19Å; V3458-V3498 HydrophobicContact CG2-CG1 3.91Å
3459	V	95.8	Very high	85.8	Confident	11 Å²	11	57.1 Å²	57.1	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	112.1	174.2	-175.4	0	0	0	0	108.1	I3444 I3445 V3447 I3461 V3493 I3495	I3444-V3459 WeakPolarHBondContact CA-O 3.43Å; I3445-V3459 HydrophobicContact CB-CB 4.22Å; I3445-V3459 PolarHBondContact N-O 3.03Å; I3445-V3459 PolarHBondContact O-N 2.92Å; V3447-V3459 HydrophobicContact CG2-CG2 3.92Å; V3459-I3461 HydrophobicContact CG1-CD1 4.33Å; V3459-I3461 HydrophobicContact CG1-CG1 4.01Å; V3459-V3493 HydrophobicContact CG1-CG1 3.54Å; V3459-I3495 HydrophobicContact CG1-CG1 4.4Å; V3459-I3495 HydrophobicContact CG2-CG1 4.23Å; V3459-I3495 HydrophobicContact CG2-CG2 4.18Å
3460	H	97.6	Very high	87	Confident	17 Å²	17	55.5 Å²	55.5	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.8	176.8	-49.7	-99.4	0	0	0	109	I3444 F3462 V3493 V3494 T3496	I3444-H3460 HydrophobicContact CD1-CB 4.23Å; I3444-H3460 VanDerWaalsContact CD1-ND1 3.28Å; I3444-H3460 WeakPolarHBondContact CD1-ND1 3.42Å; H3460-F3462 HydrophobicContact CB-CD2 4.31Å; H3460-F3462 HydrophobicContact CB-CE2 3.55Å; H3460-F3462 HydrophobicContact CB-CZ 4.05Å; H3460-V3493 CarbonylContact O-C 3.56Å; H3460-V3493 WeakPolarHBondContact O-CA 3.44Å; H3460-V3494 HydrophobicContact CB-CB 4.41Å; H3460-V3494 PolarHBondContact CD2-O 3.11Å; H3460-V3494 PolarHBondContact N-O 3.02Å; H3460-V3494 PolarHBondContact O-N 2.87Å; H3460-T3496 PolarHBondContact NE2-OG1 3.33Å
3461	I	98.3	Very high	88.5	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	98.5	-173.2	-57.8	174.4	0	0	0	108.3	I3382 A3442 G3443 I3445 V3459 L3491 V3493	I3382-I3461 HydrophobicContact CD1-CD1 3.77Å; I3382-I3461 HydrophobicContact CD1-CG2 4.41Å; I3382-I3461 HydrophobicContact CG1-CD1 3.91Å; A3442-I3461 CarbonylContact C-O 3.55Å; A3442-I3461 VanDerWaalsContact CA-O 3.24Å; A3442-I3461 WeakPolarHBondContact CA-O 3.26Å; A3442-I3461 WeakPolarHBondContact CB-O 3.24Å; G3443-I3461 PolarHBondContact N-O 2.91Å; G3443-I3461 PolarHBondContact O-N 3.42Å; I3445-I3461 HydrophobicContact CD1-CD1 3.96Å; I3445-I3461 HydrophobicContact CG1-CD1 4.22Å; V3459-I3461 HydrophobicContact CG1-CD1 4.33Å; V3459-I3461 HydrophobicContact CG1-CG1 4.01Å; I3461-L3491 HydrophobicContact CG2-CB 4.14Å; I3461-L3491 HydrophobicContact CG2-CD1 3.75Å; I3461-L3491 HydrophobicContact CG2-CG 4.43Å; I3461-V3493 HydrophobicContact CG1-CG1 4.46Å; I3461-V3493 HydrophobicContact CG1-CG2 4.42Å
3462	F	98.5	Very high	89.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.3	-176.5	-63.7	-89.9	0	0	0	111.4	M3386 L3388 L3393 V3396 A3442 H3460 F3467 L3491 L3492 V3494	M3386-F3462 HydrophobicContact CE-CE1 3.79Å; M3386-F3462 HydrophobicContact CE-CZ 3.77Å; L3388-F3462 HydrophobicContact CD2-CD1 3.63Å; L3388-F3462 HydrophobicContact CD2-CE1 3.79Å; L3393-F3462 HydrophobicContact CD2-CE1 3.68Å; L3393-F3462 HydrophobicContact CD2-CZ 4.43Å; V3396-F3462 HydrophobicContact CG1-CE2 4.33Å; V3396-F3462 HydrophobicContact CG1-CZ 4.19Å; V3396-F3462 HydrophobicContact CG2-CZ 4.33Å; A3442-F3462 HydrophobicContact CB-CD1 3.72Å; A3442-F3462 HydrophobicContact CB-CE1 3.82Å; A3442-F3462 HydrophobicContact CB-CG 4.13Å; A3442-F3462 HydrophobicContact CB-CZ 4.32Å; H3460-F3462 HydrophobicContact CB-CD2 4.31Å; H3460-F3462 HydrophobicContact CB-CE2 3.55Å; H3460-F3462 HydrophobicContact CB-CZ 4.05Å; F3462-F3467 AromaticContact CD1-CD1 3.83Å; F3462-F3467 HydrophobicContact CD1-CD1 3.83Å; F3462-F3467 HydrophobicContact CD1-CE1 4.35Å; F3462-F3467 HydrophobicContact CD2-CD1 4.35Å; F3462-F3467 HydrophobicContact CD2-CE1 4.24Å; F3462-F3467 AromaticContact CE1-CD1 3.63Å; F3462-F3467 HydrophobicContact CE1-CD1 3.63Å; F3462-F3467 AromaticContact CE1-CE1 3.85Å; F3462-F3467 HydrophobicContact CE1-CE1 3.85Å; F3462-F3467 HydrophobicContact CE2-CD1 4.16Å; F3462-F3467 AromaticContact CE2-CE1 3.72Å; F3462-F3467 HydrophobicContact CE2-CE1 3.72Å; F3462-F3467 HydrophobicContact CG-CD1 4.2Å; F3462-F3467 AromaticContact CZ-CD1 3.81Å; F3462-F3467 HydrophobicContact CZ-CD1 3.81Å; F3462-F3467 AromaticContact CZ-CE1 3.51Å; F3462-F3467 HydrophobicContact CZ-CE1 3.51Å; F3462-F3467 HydrophobicContact CZ-CZ 4.43Å; F3462-L3491 VanDerWaalsContact O-CA 3.31Å; F3462-L3491 WeakPolarHBondContact O-CA 3.33Å; F3462-L3491 WeakPolarHBondContact O-CB 3.47Å; F3462-L3492 HydrophobicContact CB-CB 4.3Å; F3462-L3492 PolarHBondContact N-O 3.2Å; F3462-L3492 PolarHBondContact O-N 3.3Å; F3462-V3494 HydrophobicContact CD2-CG2 4.34Å; F3462-V3494 HydrophobicContact CE2-CB 4.3Å; F3462-V3494 HydrophobicContact CE2-CG2 4.06Å
3463	P	98	Very high	91.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-67.9	170.3	161	34	-36.4	0	0	0	110.6	L3388 M3436 Q3437 C3465	L3388-P3463 HydrophobicContact CD1-CG 4.46Å; M3436-P3463 HydrophobicContact CB-CB 3.96Å; M3436-P3463 HydrophobicContact CB-CG 3.81Å; Q3437-P3463 HydrophobicContact CG-CB 3.82Å; Q3437-P3463 HydrophobicContact CG-CG 4.06Å; P3463-C3465 PolarHBondContact O-N 3.31Å; P3463-C3465 VanDerWaalsContact O-N 3.13Å; P3463-C3465 PolarHBondContact O-SG 3.37Å
3464	P	97.3	Very high	93.1	Very high	23 Å²	23	39.4 Å²	39.4	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-55.3	118.4	165.4	-21.7	33.9	0	0	0	110	I3433 Q3437 H3490	I3433-P3464 HydrophobicContact CD1-CG 4.46Å; I3433-P3464 HydrophobicContact CG2-CG 4.34Å; Q3437-P3464 PolarHBondContact NE2-O 3.21Å; P3464-H3490 WeakPolarHBondContact CD-O 3.29Å
3465	C	96.7	Very high	94.6	Very high	25 Å²	25	33.4 Å²	33.4	17%	0.169	20%	0.196	C	C	.	.	S	Bend	trans	-164.2	170.4	-176.3	70.6	0	0	0	0	109.6	L3388 P3463 F3467 S3468 H3469	L3388-C3465 HydrophobicContact CD1-CB 4.3Å; P3463-C3465 PolarHBondContact O-N 3.31Å; P3463-C3465 VanDerWaalsContact O-N 3.13Å; P3463-C3465 PolarHBondContact O-SG 3.37Å; C3465-F3467 VanDerWaalsContact C-N 3.29Å; C3465-F3467 PolarHBondContact O-N 3.36Å; C3465-S3468 WeakPolarHBondContact O-CA 3.4Å; C3465-S3468 WeakPolarHBondContact O-CB 3.42Å; C3465-S3468 PolarHBondContact O-N 2.89Å; C3465-H3469 PolarHBondContact O-N 3.46Å; C3465-H3469 PolarHBondContact O-ND1 3.48Å
3466	D	96.8	Very high	95.9	Very high	143 Å²	143	32.7 Å²	32.7	77%	0.765	19%	0.188	S	C	*	.	H	α-helix	trans	-56.9	-39.5	-175.1	-51.8	-34.3	0	0	0	113.1	A3470	D3466-A3470 WeakPolarHBondContact O-CB 3.47Å; D3466-A3470 PolarHBondContact O-N 2.92Å
3467	F	97.7	Very high	96.3	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.088	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-43.6	174.5	-178.8	-98.4	0	0	0	112.1	L3393 V3396 Q3397 L3400 F3462 C3465 A3470 Q3471	L3393-F3467 HydrophobicContact CB-CD2 4.27Å; L3393-F3467 HydrophobicContact CD1-CB 4.33Å; L3393-F3467 HydrophobicContact CD2-CB 4.2Å; L3393-F3467 HydrophobicContact CD2-CD1 4.24Å; L3393-F3467 HydrophobicContact CD2-CD2 4.23Å; L3393-F3467 HydrophobicContact CD2-CG 3.96Å; V3396-F3467 HydrophobicContact CB-CZ 4.22Å; V3396-F3467 HydrophobicContact CG1-CE1 4.25Å; V3396-F3467 HydrophobicContact CG1-CZ 3.93Å; Q3397-F3467 HydrophobicContact CB-CE2 4.39Å; L3400-F3467 HydrophobicContact CD1-CE1 4.46Å; L3400-F3467 HydrophobicContact CD1-CZ 3.85Å; F3462-F3467 AromaticContact CD1-CD1 3.83Å; F3462-F3467 HydrophobicContact CD1-CD1 3.83Å; F3462-F3467 HydrophobicContact CD1-CE1 4.35Å; F3462-F3467 HydrophobicContact CD2-CD1 4.35Å; F3462-F3467 HydrophobicContact CD2-CE1 4.24Å; F3462-F3467 AromaticContact CE1-CD1 3.63Å; F3462-F3467 HydrophobicContact CE1-CD1 3.63Å; F3462-F3467 AromaticContact CE1-CE1 3.85Å; F3462-F3467 HydrophobicContact CE1-CE1 3.85Å; F3462-F3467 HydrophobicContact CE2-CD1 4.16Å; F3462-F3467 AromaticContact CE2-CE1 3.72Å; F3462-F3467 HydrophobicContact CE2-CE1 3.72Å; F3462-F3467 HydrophobicContact CG-CD1 4.2Å; F3462-F3467 AromaticContact CZ-CD1 3.81Å; F3462-F3467 HydrophobicContact CZ-CD1 3.81Å; F3462-F3467 AromaticContact CZ-CE1 3.51Å; F3462-F3467 HydrophobicContact CZ-CE1 3.51Å; F3462-F3467 HydrophobicContact CZ-CZ 4.43Å; C3465-F3467 VanDerWaalsContact C-N 3.29Å; C3465-F3467 PolarHBondContact O-N 3.36Å; F3467-A3470 PolarHBondContact O-N 3.41Å; F3467-Q3471 HydrophobicContact CD1-CG 4.3Å; F3467-Q3471 HydrophobicContact CE1-CG 3.88Å; F3467-Q3471 HydrophobicContact CE2-CG 4.13Å; F3467-Q3471 HydrophobicContact CZ-CG 3.79Å; F3467-Q3471 WeakPolarHBondContact O-CG 3.38Å; F3467-Q3471 PolarHBondContact O-N 2.9Å
3468	S	97.2	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-48.7	177.3	-175.9	0	0	0	0	111.3	C3465 Q3471 L3472 L3492	C3465-S3468 WeakPolarHBondContact O-CA 3.4Å; C3465-S3468 WeakPolarHBondContact O-CB 3.42Å; C3465-S3468 PolarHBondContact O-N 2.89Å; S3468-Q3471 PolarHBondContact O-N 3.44Å; S3468-L3472 WeakPolarHBondContact O-CB 3.47Å; S3468-L3472 WeakPolarHBondContact O-CG 3.47Å; S3468-L3472 PolarHBondContact O-N 3.24Å; S3468-L3492 VanDerWaalsContact OG-CB 3.31Å; S3468-L3492 WeakPolarHBondContact OG-CB 3.45Å
3469	H	96.6	Very high	96.4	Very high	60 Å²	60	32.9 Å²	32.9	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-38.4	178.4	-61	147.9	0	0	0	112.3	C3465 G3473 H3480	C3465-H3469 PolarHBondContact O-N 3.46Å; C3465-H3469 PolarHBondContact O-ND1 3.48Å; H3469-G3473 PolarHBondContact O-N 3.05Å; H3469-H3480 AromaticContact CG-NE2 3.99Å; H3469-H3480 PolarHBondContact O-NE2 3.39Å
3470	A	96.6	Very high	96.3	Very high	48 Å²	48	34.6 Å²	34.6	40%	0.397	20%	0.202	S	C	.	.	H	α-helix	trans	-63.3	-47.7	174.9	0	0	0	0	0	112.1	D3466 F3467 G3473 L3474	D3466-A3470 WeakPolarHBondContact O-CB 3.47Å; D3466-A3470 PolarHBondContact O-N 2.92Å; F3467-A3470 PolarHBondContact O-N 3.41Å; A3470-G3473 PolarHBondContact O-N 3.48Å; A3470-L3474 VanDerWaalsContact O-CG 3.32Å; A3470-L3474 WeakPolarHBondContact O-CG 3.43Å; A3470-L3474 PolarHBondContact O-N 3.38Å
3471	Q	96.8	Very high	96.1	Very high	19 Å²	19	41 Å²	41	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-43.8	178.3	-61.7	-37.8	-79.3	0	0	111.5	L3400 F3467 S3468 G3473 L3474 A3475 L3492	L3400-Q3471 HydrophobicContact CD1-CG 3.84Å; F3467-Q3471 HydrophobicContact CD1-CG 4.3Å; F3467-Q3471 HydrophobicContact CE1-CG 3.88Å; F3467-Q3471 HydrophobicContact CE2-CG 4.13Å; F3467-Q3471 HydrophobicContact CZ-CG 3.79Å; F3467-Q3471 WeakPolarHBondContact O-CG 3.38Å; F3467-Q3471 PolarHBondContact O-N 2.9Å; S3468-Q3471 PolarHBondContact O-N 3.44Å; Q3471-G3473 VanDerWaalsContact C-N 3.34Å; Q3471-G3473 PolarHBondContact O-N 2.78Å; Q3471-L3474 PolarHBondContact O-N 3.36Å; Q3471-A3475 WeakPolarHBondContact O-CB 3.28Å; Q3471-A3475 PolarHBondContact O-N 3.4Å; Q3471-L3492 HydrophobicContact CB-CD2 3.82Å; Q3471-L3492 HydrophobicContact CG-CD2 4.22Å
3472	L	96.1	Very high	95.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-38.6	176.7	-72.2	170.7	0	0	0	112	L3410 S3468 L3474 A3476 H3480 L3492	L3410-L3472 HydrophobicContact CD1-CD1 4.03Å; L3410-L3472 HydrophobicContact CD1-CD2 4.24Å; S3468-L3472 WeakPolarHBondContact O-CB 3.47Å; S3468-L3472 WeakPolarHBondContact O-CG 3.47Å; S3468-L3472 PolarHBondContact O-N 3.24Å; L3472-L3474 VanDerWaalsContact C-N 3.34Å; L3472-L3474 PolarHBondContact O-N 2.98Å; L3472-A3476 CarbonylContact O-C 3.42Å; L3472-A3476 WeakPolarHBondContact O-CA 3.24Å; L3472-A3476 PolarHBondContact O-N 3.33Å; L3472-H3480 HydrophobicContact CB-CB 3.98Å; L3472-L3492 HydrophobicContact CD2-CD1 4.05Å; L3472-L3492 HydrophobicContact CG-CD1 4.27Å
3473	G	96.7	Very high	95.5	Very high	26 Å²	26	43.7 Å²	43.7	27%	0.268	24%	0.236	S	C	.	.	H	α-helix	trans	-66.3	-31.8	177.1	0	0	0	0	0	114	H3469 A3470 Q3471	H3469-G3473 PolarHBondContact O-N 3.05Å; A3470-G3473 PolarHBondContact O-N 3.48Å; Q3471-G3473 VanDerWaalsContact C-N 3.34Å; Q3471-G3473 PolarHBondContact O-N 2.78Å
3474	L	95.4	Very high	95.2	Very high	138 Å²	138	47.4 Å²	47.4	72%	0.723	26%	0.259	S	S	*	.	H	α-helix	trans	-81.2	-43.8	174.8	-69.1	169.9	0	0	0	112.5	A3470 Q3471 L3472	A3470-L3474 VanDerWaalsContact O-CG 3.32Å; A3470-L3474 WeakPolarHBondContact O-CG 3.43Å; A3470-L3474 PolarHBondContact O-N 3.38Å; Q3471-L3474 PolarHBondContact O-N 3.36Å; L3472-L3474 VanDerWaalsContact C-N 3.34Å; L3472-L3474 PolarHBondContact O-N 2.98Å
3475	A	94.4	Very high	94.9	Very high	29 Å²	29	53.6 Å²	53.6	24%	0.24	29%	0.286	C	S	.	.	H	α-helix	trans	-79.4	-38.5	-173.9	0	0	0	0	0	113.7	V3347 Q3348 Q3471	V3347-A3475 HydrophobicContact CG1-CB 4Å; Q3348-A3475 HydrophobicContact CB-CB 4.23Å; Q3471-A3475 WeakPolarHBondContact O-CB 3.28Å; Q3471-A3475 PolarHBondContact O-N 3.4Å
3476	A	94.6	Very high	94.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.3	C	S	.	.			trans	-153	65.9	-163.6	0	0	0	0	0	111.2	Y3325 V3347 L3472 D3478 L3479 H3480	Y3325-A3476 HydrophobicContact CE1-CB 3.77Å; Y3325-A3476 VanDerWaalsContact OH-CB 3.3Å; Y3325-A3476 WeakPolarHBondContact OH-CB 3.48Å; V3347-A3476 HydrophobicContact CG1-CB 3.61Å; L3472-A3476 CarbonylContact O-C 3.42Å; L3472-A3476 WeakPolarHBondContact O-CA 3.24Å; L3472-A3476 PolarHBondContact O-N 3.33Å; A3476-D3478 PolarHBondContact O-N 3.43Å; A3476-D3478 VanDerWaalsContact O-N 3.15Å; A3476-L3479 HydrophobicContact CB-CB 3.8Å; A3476-L3479 HydrophobicContact CB-CD2 4.15Å; A3476-L3479 WeakPolarHBondContact O-CB 3.36Å; A3476-L3479 PolarHBondContact O-N 3.37Å; A3476-H3480 PolarHBondContact O-N 2.98Å
3477	P	95.2	Very high	94.4	Very high	74 Å²	74	55.4 Å²	55.4	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-24.3	-169.4	23.2	-34.3	0	0	0	114.6	R3481	P3477-R3481 WeakPolarHBondContact O-CB 3.35Å; P3477-R3481 PolarHBondContact O-N 2.8Å
3478	D	94.1	Very high	94.1	Very high	55 Å²	55	56.1 Å²	56.1	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-77.1	-36	173.5	74.9	-65.5	0	0	0	112.3	Y3325 A3476 R3482	Y3325-D3478 PolarHBondContact OH-OD1 3.34Å; A3476-D3478 PolarHBondContact O-N 3.43Å; A3476-D3478 VanDerWaalsContact O-N 3.15Å; D3478-R3482 WeakPolarHBondContact O-CG 3.41Å; D3478-R3482 PolarHBondContact O-N 2.91Å; D3478-R3482 VanDerWaalsContact O-N 3.14Å; D3478-R3482 PolarHBondContact O-NE 3.04Å; D3478-R3482 IonicContact OD2-CZ 3.61Å; D3478-R3482 IonicContact OD2-NE 3.15Å; D3478-R3482 IonicContact OD2-NH2 2.92Å; D3478-R3482 PolarHBondContact OD2-NH2 2.89Å
3479	L	93.5	Very high	94	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-69.8	-47	174.9	-178.6	56.7	0	0	0	110.1	W3318 L3321 Y3325 V3347 L3410 A3476 R3481 R3482 V3483	W3318-L3479 HydrophobicContact CZ3-CD1 4.44Å; L3321-L3479 HydrophobicContact CD1-CD1 4.47Å; L3321-L3479 HydrophobicContact CD2-CD1 3.45Å; L3321-L3479 VanDerWaalsContact CD2-CD1 3.45Å; Y3325-L3479 HydrophobicContact CD1-CD2 4.06Å; Y3325-L3479 HydrophobicContact CD2-CB 4.37Å; Y3325-L3479 HydrophobicContact CD2-CD1 4.36Å; Y3325-L3479 HydrophobicContact CD2-CD2 4.04Å; Y3325-L3479 HydrophobicContact CE1-CD2 4.16Å; Y3325-L3479 HydrophobicContact CE2-CB 3.79Å; Y3325-L3479 HydrophobicContact CE2-CD2 4.15Å; Y3325-L3479 HydrophobicContact CE2-CG 4.4Å; Y3325-L3479 HydrophobicContact CG-CD2 4.01Å; V3347-L3479 HydrophobicContact CG2-CD2 3.93Å; L3410-L3479 HydrophobicContact CB-CD2 4.48Å; L3410-L3479 HydrophobicContact CD2-CD1 3.89Å; L3410-L3479 HydrophobicContact CD2-CD2 3.98Å; L3410-L3479 HydrophobicContact CD2-CG 4.07Å; A3476-L3479 HydrophobicContact CB-CB 3.8Å; A3476-L3479 HydrophobicContact CB-CD2 4.15Å; A3476-L3479 WeakPolarHBondContact O-CB 3.36Å; A3476-L3479 PolarHBondContact O-N 3.37Å; L3479-R3481 VanDerWaalsContact C-N 3.31Å; L3479-R3481 PolarHBondContact O-N 2.9Å; L3479-R3482 PolarHBondContact O-N 3.42Å; L3479-V3483 HydrophobicContact CD1-CG2 4.19Å; L3479-V3483 HydrophobicContact CG-CG2 4.44Å; L3479-V3483 WeakPolarHBondContact O-CB 3.36Å; L3479-V3483 VanDerWaalsContact O-CG2 3.31Å; L3479-V3483 WeakPolarHBondContact O-CG2 3.41Å; L3479-V3483 PolarHBondContact O-N 3.12Å
3480	H	94.8	Very high	94	Very high	46 Å²	46	54 Å²	54	21%	0.213	30%	0.297	C	S	.	.	H	α-helix	trans	-54.4	-47.6	174.4	-179.2	-130.8	0	0	0	111.4	H3469 L3472 A3476 R3482 V3483 V3484	H3469-H3480 AromaticContact CG-NE2 3.99Å; H3469-H3480 PolarHBondContact O-NE2 3.39Å; L3472-H3480 HydrophobicContact CB-CB 3.98Å; A3476-H3480 PolarHBondContact O-N 2.98Å; H3480-R3482 PolarHBondContact O-N 2.87Å; H3480-V3483 PolarHBondContact O-N 2.95Å; H3480-V3484 WeakPolarHBondContact O-CG2 3.44Å; H3480-V3484 PolarHBondContact O-N 3.33Å
3481	R	94.1	Very high	94.1	Very high	152 Å²	152	51.8 Å²	51.8	57%	0.574	28%	0.278	S	S	*	.	H	α-helix	trans	-58.8	-48.1	177.1	-166.9	-169.7	-56.5	146	7.1	111.8	P3477 L3479 V3484 Q3485	P3477-R3481 WeakPolarHBondContact O-CB 3.35Å; P3477-R3481 PolarHBondContact O-N 2.8Å; L3479-R3481 VanDerWaalsContact C-N 3.31Å; L3479-R3481 PolarHBondContact O-N 2.9Å; R3481-V3484 PolarHBondContact O-N 3.32Å; R3481-Q3485 HydrophobicContact CG-CG 4.31Å; R3481-Q3485 VanDerWaalsContact O-CB 3.27Å; R3481-Q3485 WeakPolarHBondContact O-CB 3.35Å; R3481-Q3485 VanDerWaalsContact O-CG 3.24Å; R3481-Q3485 WeakPolarHBondContact O-CG 3.31Å; R3481-Q3485 PolarHBondContact O-N 3.29Å
3482	R	91.9	Very high	94.2	Very high	57 Å²	57	51 Å²	51	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-45.9	177.3	-74.7	-176.9	-78.4	173.6	-6	112.1	W3318 D3478 L3479 H3480 Q3485 A3486	W3318-R3482 HydrophobicContact CH2-CB 4.03Å; W3318-R3482 HydrophobicContact CZ3-CB 4.25Å; D3478-R3482 WeakPolarHBondContact O-CG 3.41Å; D3478-R3482 PolarHBondContact O-N 2.91Å; D3478-R3482 VanDerWaalsContact O-N 3.14Å; D3478-R3482 PolarHBondContact O-NE 3.04Å; D3478-R3482 IonicContact OD2-CZ 3.61Å; D3478-R3482 IonicContact OD2-NE 3.15Å; D3478-R3482 IonicContact OD2-NH2 2.92Å; D3478-R3482 PolarHBondContact OD2-NH2 2.89Å; L3479-R3482 PolarHBondContact O-N 3.42Å; H3480-R3482 PolarHBondContact O-N 2.87Å; R3482-Q3485 PolarHBondContact O-N 2.83Å; R3482-A3486 VanDerWaalsContact O-CB 3.31Å; R3482-A3486 WeakPolarHBondContact O-CB 3.36Å; R3482-A3486 PolarHBondContact O-N 2.84Å
3483	V	91.9	Very high	94.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-44.5	-179.8	167	0	0	0	0	111.7	W3318 L3410 L3479 H3480 N3487 Q3488 H3490	W3318-V3483 HydrophobicContact CH2-CG2 3.99Å; W3318-V3483 HydrophobicContact CZ3-CG2 4.08Å; L3410-V3483 HydrophobicContact CD2-CG2 3.9Å; L3479-V3483 HydrophobicContact CD1-CG2 4.19Å; L3479-V3483 HydrophobicContact CG-CG2 4.44Å; L3479-V3483 WeakPolarHBondContact O-CB 3.36Å; L3479-V3483 VanDerWaalsContact O-CG2 3.31Å; L3479-V3483 WeakPolarHBondContact O-CG2 3.41Å; L3479-V3483 PolarHBondContact O-N 3.12Å; H3480-V3483 PolarHBondContact O-N 2.95Å; V3483-N3487 PolarHBondContact O-N 3.03Å; V3483-Q3488 HydrophobicContact CG1-CB 4.43Å; V3483-Q3488 PolarHBondContact O-N 3.01Å; V3483-H3490 WeakPolarHBondContact CG1-CE1 3.43Å; V3483-H3490 WeakPolarHBondContact CG1-ND1 3.28Å
3484	V	91.7	Very high	94.3	Very high	78 Å²	78	50.1 Å²	50.1	47%	0.473	26%	0.264	S	S	.	.	H	α-helix	trans	-71.2	-45.2	178.3	173.7	0	0	0	0	111.6	H3480 R3481 A3486 N3487	H3480-V3484 WeakPolarHBondContact O-CG2 3.44Å; H3480-V3484 PolarHBondContact O-N 3.33Å; R3481-V3484 PolarHBondContact O-N 3.32Å; V3484-A3486 PolarHBondContact O-N 3.45Å; V3484-N3487 PolarHBondContact O-N 3.25Å; V3484-N3487 VanDerWaalsContact O-N 3.15Å
3485	Q	91.5	Very high	94.4	Very high	153 Å²	153	43.6 Å²	43.6	72%	0.715	23%	0.23	S	C	*	.	H	α-helix	trans	-63.9	-38.4	-178.9	-75.8	178.7	-39.9	0	0	113	R3481 R3482 N3487	R3481-Q3485 HydrophobicContact CG-CG 4.31Å; R3481-Q3485 VanDerWaalsContact O-CB 3.27Å; R3481-Q3485 WeakPolarHBondContact O-CB 3.35Å; R3481-Q3485 VanDerWaalsContact O-CG 3.24Å; R3481-Q3485 WeakPolarHBondContact O-CG 3.31Å; R3481-Q3485 PolarHBondContact O-N 3.29Å; R3482-Q3485 PolarHBondContact O-N 2.83Å; Q3485-N3487 VanDerWaalsContact C-N 3.31Å
3486	A	90.9	Very high	94.5	Very high	58 Å²	58	42.3 Å²	42.3	48%	0.479	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.5	177.1	0	0	0	0	0	113.8	W3318 R3482 V3484 Q3488	W3318-A3486 HydrophobicContact CZ2-CB 3.84Å; R3482-A3486 VanDerWaalsContact O-CB 3.31Å; R3482-A3486 WeakPolarHBondContact O-CB 3.36Å; R3482-A3486 PolarHBondContact O-N 2.84Å; V3484-A3486 PolarHBondContact O-N 3.45Å; A3486-Q3488 HydrophobicContact CB-CB 4.39Å; A3486-Q3488 PolarHBondContact O-N 3.19Å
3487	N	91.2	Very high	94.4	Very high	148 Å²	148	44.6 Å²	44.6	79%	0.791	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	43.4	-168.7	-171.2	44.7	0	0	0	112.4	V3483 V3484 Q3485 S3489	V3483-N3487 PolarHBondContact O-N 3.03Å; V3484-N3487 PolarHBondContact O-N 3.25Å; V3484-N3487 VanDerWaalsContact O-N 3.15Å; Q3485-N3487 VanDerWaalsContact C-N 3.31Å; N3487-S3489 PolarHBondContact O-N 3.23Å
3488	Q	91.9	Very high	94.1	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.159	24%	0.244	C	C	.	.			trans	-71.7	127.1	-166.6	177.7	55.6	45.1	0	0	111.8	W3318 L3412 V3483 A3486 H3490	W3318-Q3488 HydrophobicContact CD2-CG 4.45Å; W3318-Q3488 HydrophobicContact CH2-CB 3.87Å; W3318-Q3488 HydrophobicContact CH2-CG 3.89Å; W3318-Q3488 HydrophobicContact CZ2-CB 3.51Å; W3318-Q3488 HydrophobicContact CZ2-CG 3.47Å; W3318-Q3488 VanDerWaalsContact CZ2-CG 3.47Å; L3412-Q3488 HydrophobicContact CD2-CG 3.7Å; V3483-Q3488 HydrophobicContact CG1-CB 4.43Å; V3483-Q3488 PolarHBondContact O-N 3.01Å; A3486-Q3488 HydrophobicContact CB-CB 4.39Å; A3486-Q3488 PolarHBondContact O-N 3.19Å; Q3488-H3490 PolarHBondContact O-N 3.13Å; Q3488-H3490 VanDerWaalsContact O-N 3.14Å; Q3488-H3490 PolarHBondContact O-ND1 2.94Å
3489	S	95.4	Very high	94.1	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.091	24%	0.242	C	C	.	.			trans	-57.9	114.7	168	-54.3	0	0	0	0	110.4	P3413 N3429 N3487	P3413-S3489 WeakPolarHBondContact CD-O 3.38Å; N3429-S3489 PolarHBondContact ND2-OG 3.17Å; N3429-S3489 WeakPolarHBondContact OD1-CB 3.41Å; N3429-S3489 PolarHBondContact OD1-OG 3.22Å; N3487-S3489 PolarHBondContact O-N 3.23Å
3490	H	96.5	Very high	94.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.019	26%	0.255	C	S	.	.			trans	-149.5	163.5	-176.4	71.9	-84.5	0	0	0	111.3	L3410 A3411 L3412 P3464 V3483 Q3488	L3410-H3490 HydrophobicContact CD1-CB 3.84Å; L3410-H3490 HydrophobicContact CG-CB 4.4Å; A3411-H3490 CarbonylContact O-C 3.48Å; A3411-H3490 VanDerWaalsContact O-CA 3.31Å; A3411-H3490 WeakPolarHBondContact O-CA 3.38Å; L3412-H3490 HydrophobicContact CD2-CB 3.84Å; P3464-H3490 WeakPolarHBondContact CD-O 3.29Å; V3483-H3490 WeakPolarHBondContact CG1-CE1 3.43Å; V3483-H3490 WeakPolarHBondContact CG1-ND1 3.28Å; Q3488-H3490 PolarHBondContact O-N 3.13Å; Q3488-H3490 VanDerWaalsContact O-N 3.14Å; Q3488-H3490 PolarHBondContact O-ND1 2.94Å
3491	L	98.2	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.9	163.5	-57	171.3	0	0	0	108.6	L3333 A3411 L3428 I3433 M3436 I3461 F3462	L3333-L3491 HydrophobicContact CD1-CD1 4.13Å; A3411-L3491 HydrophobicContact CB-CB 4.27Å; A3411-L3491 PolarHBondContact N-O 2.89Å; A3411-L3491 PolarHBondContact O-N 3.24Å; L3428-L3491 HydrophobicContact CD1-CD1 3.8Å; L3428-L3491 HydrophobicContact CD1-CG 4.17Å; I3433-L3491 HydrophobicContact CD1-CD2 4.47Å; I3433-L3491 HydrophobicContact CG1-CD2 3.65Å; M3436-L3491 HydrophobicContact CE-CD1 4.05Å; M3436-L3491 HydrophobicContact CE-CD2 3.46Å; M3436-L3491 VanDerWaalsContact CE-CD2 3.46Å; M3436-L3491 HydrophobicContact CE-CG 4.43Å; I3461-L3491 HydrophobicContact CG2-CB 4.14Å; I3461-L3491 HydrophobicContact CG2-CD1 3.75Å; I3461-L3491 HydrophobicContact CG2-CG 4.43Å; F3462-L3491 VanDerWaalsContact O-CA 3.31Å; F3462-L3491 WeakPolarHBondContact O-CA 3.33Å; F3462-L3491 WeakPolarHBondContact O-CB 3.47Å
3492	L	98.1	Very high	94.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123	168.8	176.9	69.6	0	0	0	108.7	A3408 F3462 S3468 Q3471 L3472 V3494	A3408-L3492 HydrophobicContact CB-CD1 4.43Å; F3462-L3492 HydrophobicContact CB-CB 4.3Å; F3462-L3492 PolarHBondContact N-O 3.2Å; F3462-L3492 PolarHBondContact O-N 3.3Å; S3468-L3492 VanDerWaalsContact OG-CB 3.31Å; S3468-L3492 WeakPolarHBondContact OG-CB 3.45Å; Q3471-L3492 HydrophobicContact CB-CD2 3.82Å; Q3471-L3492 HydrophobicContact CG-CD2 4.22Å; L3472-L3492 HydrophobicContact CD2-CD1 4.05Å; L3472-L3492 HydrophobicContact CG-CD1 4.27Å; L3492-V3494 HydrophobicContact CD2-CG2 4.24Å; L3492-V3494 HydrophobicContact CG-CG2 4.18Å
3493	V	97.9	Very high	94.2	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.4	179.1	-177.3	0	0	0	0	108.6	L3344 A3408 C3409 A3411 V3459 H3460 I3461 I3495	L3344-V3493 HydrophobicContact CD1-CB 3.91Å; L3344-V3493 HydrophobicContact CD1-CG1 4.45Å; L3344-V3493 HydrophobicContact CD1-CG2 3.75Å; A3408-V3493 CarbonylContact C-O 3.12Å; A3408-V3493 WeakPolarHBondContact CA-O 3.41Å; C3409-V3493 HydrophobicContact CB-CB 4.45Å; C3409-V3493 PolarHBondContact N-O 2.86Å; C3409-V3493 PolarHBondContact O-N 2.93Å; A3411-V3493 HydrophobicContact CB-CG2 3.99Å; V3459-V3493 HydrophobicContact CG1-CG1 3.54Å; H3460-V3493 CarbonylContact O-C 3.56Å; H3460-V3493 WeakPolarHBondContact O-CA 3.44Å; I3461-V3493 HydrophobicContact CG1-CG1 4.46Å; I3461-V3493 HydrophobicContact CG1-CG2 4.42Å; V3493-I3495 HydrophobicContact CG1-CG1 4.49Å
3494	V	97.8	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.1	174.9	179.5	0	0	0	0	108.3	V3396 L3400 C3407 H3460 F3462 L3492 T3496	V3396-V3494 HydrophobicContact CG1-CB 4.42Å; V3396-V3494 HydrophobicContact CG1-CG1 3.96Å; L3400-V3494 HydrophobicContact CD1-CG1 4.3Å; L3400-V3494 HydrophobicContact CD1-CG2 4.27Å; L3400-V3494 HydrophobicContact CD2-CG1 3.66Å; L3400-V3494 HydrophobicContact CD2-CG2 4.34Å; L3400-V3494 HydrophobicContact CG-CG1 3.99Å; C3407-V3494 WeakPolarHBondContact O-CA 3.35Å; H3460-V3494 HydrophobicContact CB-CB 4.41Å; H3460-V3494 PolarHBondContact CD2-O 3.11Å; H3460-V3494 PolarHBondContact N-O 3.02Å; H3460-V3494 PolarHBondContact O-N 2.87Å; F3462-V3494 HydrophobicContact CD2-CG2 4.34Å; F3462-V3494 HydrophobicContact CE2-CB 4.3Å; F3462-V3494 HydrophobicContact CE2-CG2 4.06Å; L3492-V3494 HydrophobicContact CD2-CG2 4.24Å; L3492-V3494 HydrophobicContact CG-CG2 4.18Å; V3494-T3496 HydrophobicContact CG1-CG2 4Å
3495	I	96.5	Very high	94.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.2	172.2	-44.6	-176.7	0	0	0	107.6	L3353 L3354 C3357 M3358 S3406 C3407 V3458 V3459 V3493	L3353-I3495 HydrophobicContact CD2-CB 3.95Å; L3353-I3495 HydrophobicContact CD2-CG2 3.63Å; L3354-I3495 HydrophobicContact CD1-CD1 3.64Å; C3357-I3495 HydrophobicContact CB-CD1 4.41Å; C3357-I3495 HydrophobicContact CB-CG2 4.19Å; M3358-I3495 HydrophobicContact CE-CD1 4.16Å; S3406-I3495 CarbonylContact C-O 3.58Å; S3406-I3495 WeakPolarHBondContact CA-O 3.3Å; S3406-I3495 VanDerWaalsContact CB-O 3.28Å; S3406-I3495 WeakPolarHBondContact CB-O 3.35Å; C3407-I3495 PolarHBondContact N-O 3.31Å; C3407-I3495 PolarHBondContact O-N 3.24Å; V3458-I3495 WeakPolarHBondContact O-CA 3.43Å; V3459-I3495 HydrophobicContact CG1-CG1 4.4Å; V3459-I3495 HydrophobicContact CG2-CG1 4.23Å; V3459-I3495 HydrophobicContact CG2-CG2 4.18Å; V3493-I3495 HydrophobicContact CG1-CG1 4.49Å
3496	T	96.4	Very high	94.8	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.9	175.9	61.4	0	0	0	0	110.1	K3399 Y3457 V3458 H3460 V3494	K3399-T3496 HydrophobicContact CB-CG2 3.73Å; K3399-T3496 HydrophobicContact CD-CG2 4.05Å; Y3457-T3496 CarbonylContact C-O 3.54Å; Y3457-T3496 VanDerWaalsContact CA-O 3.23Å; Y3457-T3496 WeakPolarHBondContact CA-O 3.45Å; V3458-T3496 PolarHBondContact N-O 3.45Å; V3458-T3496 PolarHBondContact O-N 3.19Å; H3460-T3496 PolarHBondContact NE2-OG1 3.33Å; V3494-T3496 HydrophobicContact CG1-CG2 4Å
3497	T	93.6	Very high	95.2	Very high	47 Å²	47	31.7 Å²	31.7	29%	0.288	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	157.2	157.5	68	0	0	0	0	109.7	L3353 K3399 A3405 L3456 Y3457	L3353-T3497 HydrophobicContact CD1-CG2 3.71Å; K3399-T3497 PolarHBondContact NZ-O 2.73Å; A3405-T3497 PolarHBondContact O-N 3.42Å; L3456-T3497 WeakPolarHBondContact O-CA 3.38Å; Y3457-T3497 HydrophobicContact CD1-CG2 4.41Å; Y3457-T3497 HydrophobicContact CE1-CG2 4.35Å
3498	V	88.5	Confident	95.5	Very high	119 Å²	119	21.1 Å²	21.1	72%	0.721	12%	0.124	S	C	*	.			trans	-64.5	0	162.4	-72.6	0	0	0	0	112.2	K3399 G3455 L3456 V3458	K3399-V3498 PolarHBondContact NZ-OXT 2.72Å; G3455-V3498 WeakPolarHBondContact O-CG1 3.36Å; G3455-V3498 WeakPolarHBondContact O-CG2 3.29Å; L3456-V3498 PolarHBondContact O-N 3.43Å; L3456-V3498 VanDerWaalsContact O-N 3.11Å; V3458-V3498 HydrophobicContact CG2-CG1 3.91Å

Retrieved 3,498 of 3,498 residues in 3811.6 ms (Link to these results)

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